Browse entries in the PDBbind-CN Database
HEADER 4OEF_COMPLEX COMPND 4OEF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 ASP PRO LYS ARG LEU TYR CYS LYS ASN GLY GLY PHE PHE SEQRES 2 A 125 LEU ARG ILE HIS PRO ASP GLY ARG VAL ASP GLY VAL ARG SEQRES 3 A 125 GLU LYS SER ASP PRO HIS ILE LYS LEU GLN LEU GLN ALA SEQRES 4 A 125 GLU GLU ARG GLY VAL VAL SER ILE LYS GLY VAL SER ALA SEQRES 5 A 125 ASN ARG TYR LEU ALA MET LYS GLU ASP GLY ARG LEU LEU SEQRES 6 A 125 ALA SER LYS SER VAL THR ASP GLU CYS PHE PHE PHE GLU SEQRES 7 A 125 ARG LEU GLU SER ASN ASN TYR ASN THR TYR ARG SER ARG SEQRES 8 A 125 LYS TYR THR SER TRP TYR VAL ALA LEU LYS ARG THR GLY SEQRES 9 A 125 GLN TYR LYS LEU GLY SER LYS THR GLY PRO GLY GLN LYS SEQRES 10 A 125 ALA ILE LEU PHE LEU PRO MET SER HET SGN A 221 56 ATOM 1 N ASP A 19 4.859 10.159 10.288 1.00 47.80 N ATOM 2 CA ASP A 19 5.283 10.166 11.683 1.00 46.14 C ATOM 3 C ASP A 19 6.136 8.943 11.995 1.00 39.70 C ATOM 4 O ASP A 19 5.874 7.851 11.487 1.00 41.45 O ATOM 5 CB ASP A 19 4.074 10.221 12.618 1.00 43.82 C ATOM 6 CG ASP A 19 2.753 10.217 11.868 1.00 52.59 C ATOM 7 OD1 ASP A 19 2.662 9.544 10.815 1.00 53.58 O ATOM 8 OD2 ASP A 19 1.805 10.887 12.332 1.00 53.57 O ATOM 9 HN3 ASP A 19 4.299 9.303 10.101 1.00 0.00 H ATOM 10 HN2 ASP A 19 5.697 10.168 9.672 1.00 0.00 H ATOM 11 HN1 ASP A 19 4.279 11.002 10.099 1.00 0.00 H ATOM 12 N PRO A 20 7.170 9.128 12.828 1.00 38.75 N ATOM 13 CA PRO A 20 8.076 8.051 13.240 1.00 33.97 C ATOM 14 C PRO A 20 7.355 6.918 13.972 1.00 36.39 C ATOM 15 O PRO A 20 6.280 7.126 14.541 1.00 39.74 O ATOM 16 CB PRO A 20 9.033 8.758 14.198 1.00 35.34 C ATOM 17 CG PRO A 20 8.995 10.194 13.784 1.00 34.56 C ATOM 18 CD PRO A 20 7.577 10.428 13.387 1.00 36.12 C ATOM 19 N LYS A 21 7.946 5.728 13.952 1.00 25.06 N ATOM 20 CA LYS A 21 7.361 4.575 14.626 1.00 23.75 C ATOM 21 C LYS A 21 8.420 3.799 15.405 1.00 19.77 C ATOM 22 O LYS A 21 9.590 3.781 15.033 1.00 22.41 O ATOM 23 CB LYS A 21 6.714 3.638 13.600 1.00 23.05 C ATOM 24 CG LYS A 21 5.583 4.252 12.787 1.00 30.58 C ATOM 25 CD LYS A 21 4.248 4.133 13.505 1.00 31.22 C ATOM 26 CE LYS A 21 3.116 4.741 12.678 1.00 39.00 C ATOM 27 NZ LYS A 21 3.179 6.233 12.653 1.00 41.29 N ATOM 28 HZ1 LYS A 21 3.105 6.598 13.624 1.00 0.00 H ATOM 29 HZ2 LYS A 21 4.083 6.534 12.237 1.00 0.00 H ATOM 30 HZ3 LYS A 21 2.393 6.602 12.081 1.00 0.00 H ATOM 31 H LYS A 21 8.847 5.616 13.444 1.00 0.00 H ATOM 32 N ARG A 22 8.006 3.152 16.485 1.00 19.52 N ATOM 33 CA ARG A 22 8.860 2.173 17.145 1.00 21.96 C ATOM 34 C ARG A 22 8.299 0.801 16.799 1.00 20.83 C ATOM 35 O ARG A 22 7.090 0.599 16.874 1.00 22.67 O ATOM 36 CB ARG A 22 8.836 2.365 18.661 1.00 25.00 C ATOM 37 CG ARG A 22 9.101 3.785 19.111 1.00 26.86 C ATOM 38 CD ARG A 22 9.090 3.892 20.633 1.00 33.17 C ATOM 39 NE ARG A 22 8.464 5.131 21.092 1.00 40.10 N ATOM 40 CZ ARG A 22 9.072 6.314 21.128 1.00 46.85 C ATOM 41 NH1 ARG A 22 10.329 6.437 20.722 1.00 38.91 N ATOM 42 NH2 ARG A 22 8.416 7.381 21.562 1.00 50.64 N ATOM 43 HE ARG A 22 7.476 5.084 21.412 1.00 0.00 H ATOM 44 HH12 ARG A 22 10.797 7.365 20.753 1.00 0.00 H ATOM 45 HH11 ARG A 22 10.846 5.605 20.372 1.00 0.00 H ATOM 46 HH22 ARG A 22 8.890 8.306 21.591 1.00 0.00 H ATOM 47 HH21 ARG A 22 7.428 7.293 21.874 1.00 0.00 H ATOM 48 H ARG A 22 7.058 3.346 16.867 1.00 0.00 H ATOM 49 N LEU A 23 9.159 -0.135 16.406 1.00 17.93 N ATOM 50 CA LEU A 23 8.692 -1.492 16.109 1.00 15.80 C ATOM 51 C LEU A 23 8.906 -2.465 17.277 1.00 16.53 C ATOM 52 O LEU A 23 10.007 -2.972 17.499 1.00 15.43 O ATOM 53 CB LEU A 23 9.339 -2.029 14.832 1.00 15.14 C ATOM 54 CG LEU A 23 8.822 -1.467 13.506 1.00 18.60 C ATOM 55 CD1 LEU A 23 9.539 -2.125 12.333 1.00 20.39 C ATOM 56 CD2 LEU A 23 7.331 -1.658 13.374 1.00 25.31 C ATOM 57 H LEU A 23 10.168 0.098 16.309 1.00 0.00 H ATOM 58 N TYR A 24 7.830 -2.736 18.008 1.00 16.52 N ATOM 59 CA TYR A 24 7.861 -3.622 19.173 1.00 15.94 C ATOM 60 C TYR A 24 7.732 -5.092 18.785 1.00 19.72 C ATOM 61 O TYR A 24 6.695 -5.502 18.266 1.00 17.40 O ATOM 62 CB TYR A 24 6.707 -3.254 20.101 1.00 16.15 C ATOM 63 CG TYR A 24 6.575 -4.117 21.340 1.00 17.00 C ATOM 64 CD1 TYR A 24 7.263 -3.808 22.502 1.00 21.17 C ATOM 65 CD2 TYR A 24 5.733 -5.222 21.349 1.00 21.16 C ATOM 66 CE1 TYR A 24 7.133 -4.586 23.639 1.00 22.47 C ATOM 67 CE2 TYR A 24 5.590 -6.000 22.469 1.00 23.27 C ATOM 68 CZ TYR A 24 6.291 -5.684 23.610 1.00 23.85 C ATOM 69 OH TYR A 24 6.134 -6.472 24.721 1.00 27.70 O ATOM 70 HH TYR A 24 6.698 -6.121 25.455 1.00 0.00 H ATOM 71 H TYR A 24 6.925 -2.299 17.740 1.00 0.00 H ATOM 72 N CYS A 25 8.763 -5.890 19.059 1.00 16.36 N ATOM 73 CA CYS A 25 8.726 -7.324 18.732 1.00 14.95 C ATOM 74 C CYS A 25 8.053 -8.159 19.813 1.00 15.89 C ATOM 75 O CYS A 25 8.450 -8.094 20.978 1.00 15.70 O ATOM 76 CB CYS A 25 10.142 -7.844 18.492 1.00 12.96 C ATOM 77 SG CYS A 25 10.223 -9.512 17.841 1.00 14.58 S ATOM 78 H CYS A 25 9.610 -5.492 19.513 1.00 0.00 H ATOM 79 N LYS A 26 7.054 -8.957 19.425 1.00 15.61 N ATOM 80 CA LYS A 26 6.384 -9.866 20.355 1.00 15.20 C ATOM 81 C LYS A 26 7.369 -10.814 21.041 1.00 17.56 C ATOM 82 O LYS A 26 7.155 -11.263 22.169 1.00 17.34 O ATOM 83 CB LYS A 26 5.315 -10.683 19.621 1.00 16.02 C ATOM 84 CG LYS A 26 4.235 -11.261 20.521 1.00 18.88 C ATOM 85 CD LYS A 26 3.187 -11.992 19.662 1.00 22.89 C ATOM 86 CE LYS A 26 1.967 -12.372 20.474 1.00 30.19 C ATOM 87 NZ LYS A 26 2.319 -13.268 21.598 1.00 29.99 N ATOM 88 HZ1 LYS A 26 2.750 -14.138 21.225 1.00 0.00 H ATOM 89 HZ2 LYS A 26 2.995 -12.787 22.225 1.00 0.00 H ATOM 90 HZ3 LYS A 26 1.459 -13.507 22.132 1.00 0.00 H ATOM 91 H LYS A 26 6.744 -8.931 18.433 1.00 0.00 H ATOM 92 N ASN A 27 8.453 -11.129 20.352 1.00 17.32 N ATOM 93 CA ASN A 27 9.427 -12.048 20.895 1.00 16.20 C ATOM 94 C ASN A 27 10.310 -11.344 21.912 1.00 18.21 C ATOM 95 O ASN A 27 11.383 -10.866 21.564 1.00 22.18 O ATOM 96 CB ASN A 27 10.284 -12.621 19.778 1.00 16.28 C ATOM 97 CG ASN A 27 10.894 -13.946 20.143 1.00 21.66 C ATOM 98 OD1 ASN A 27 10.375 -14.671 21.003 1.00 21.46 O ATOM 99 ND2 ASN A 27 11.993 -14.288 19.483 1.00 16.88 N ATOM 100 HD22 ASN A 27 12.392 -13.645 18.769 1.00 0.00 H ATOM 101 HD21 ASN A 27 12.455 -15.199 19.679 1.00 0.00 H ATOM 102 H ASN A 27 8.606 -10.712 19.412 1.00 0.00 H ATOM 103 N GLY A 28 9.842 -11.271 23.153 1.00 18.27 N ATOM 104 CA GLY A 28 10.622 -10.702 24.234 1.00 20.80 C ATOM 105 C GLY A 28 10.390 -9.228 24.490 1.00 18.76 C ATOM 106 O GLY A 28 10.897 -8.683 25.463 1.00 20.37 O ATOM 107 H GLY A 28 8.888 -11.633 23.355 1.00 0.00 H ATOM 108 N GLY A 29 9.623 -8.578 23.623 1.00 18.02 N ATOM 109 CA GLY A 29 9.343 -7.163 23.784 1.00 17.45 C ATOM 110 C GLY A 29 10.532 -6.268 23.512 1.00 20.94 C ATOM 111 O GLY A 29 10.724 -5.264 24.197 1.00 21.88 O ATOM 112 H GLY A 29 9.216 -9.091 22.815 1.00 0.00 H ATOM 113 N PHE A 30 11.338 -6.621 22.516 1.00 18.46 N ATOM 114 CA PHE A 30 12.445 -5.759 22.109 1.00 16.15 C ATOM 115 C PHE A 30 11.992 -4.822 20.991 1.00 17.57 C ATOM 116 O PHE A 30 11.277 -5.238 20.083 1.00 17.19 O ATOM 117 CB PHE A 30 13.615 -6.590 21.595 1.00 17.68 C ATOM 118 CG PHE A 30 14.235 -7.472 22.637 1.00 18.44 C ATOM 119 CD1 PHE A 30 13.922 -8.817 22.699 1.00 19.28 C ATOM 120 CD2 PHE A 30 15.122 -6.948 23.563 1.00 19.66 C ATOM 121 CE1 PHE A 30 14.486 -9.631 23.672 1.00 17.83 C ATOM 122 CE2 PHE A 30 15.696 -7.748 24.532 1.00 21.26 C ATOM 123 CZ PHE A 30 15.374 -9.093 24.587 1.00 21.76 C ATOM 124 H PHE A 30 11.179 -7.521 22.021 1.00 0.00 H ATOM 125 N PHE A 31 12.410 -3.561 21.057 1.00 15.83 N ATOM 126 CA PHE A 31 12.207 -2.642 19.947 1.00 17.75 C ATOM 127 C PHE A 31 13.325 -2.833 18.937 1.00 17.69 C ATOM 128 O PHE A 31 14.484 -2.951 19.315 1.00 17.84 O ATOM 129 CB PHE A 31 12.213 -1.190 20.428 1.00 17.82 C ATOM 130 CG PHE A 31 11.046 -0.837 21.299 1.00 19.20 C ATOM 131 CD1 PHE A 31 9.802 -0.589 20.742 1.00 19.68 C ATOM 132 CD2 PHE A 31 11.192 -0.754 22.669 1.00 16.75 C ATOM 133 CE1 PHE A 31 8.728 -0.258 21.540 1.00 22.32 C ATOM 134 CE2 PHE A 31 10.123 -0.425 23.475 1.00 19.41 C ATOM 135 CZ PHE A 31 8.886 -0.181 22.909 1.00 21.78 C ATOM 136 H PHE A 31 12.890 -3.226 21.917 1.00 0.00 H ATOM 137 N LEU A 32 12.978 -2.853 17.654 1.00 15.11 N ATOM 138 CA LEU A 32 13.981 -2.933 16.603 1.00 14.52 C ATOM 139 C LEU A 32 14.874 -1.692 16.637 1.00 14.78 C ATOM 140 O LEU A 32 14.387 -0.561 16.645 1.00 17.16 O ATOM 141 CB LEU A 32 13.297 -3.054 15.242 1.00 16.29 C ATOM 142 CG LEU A 32 14.194 -3.354 14.043 1.00 17.29 C ATOM 143 CD1 LEU A 32 14.944 -4.667 14.234 1.00 17.13 C ATOM 144 CD2 LEU A 32 13.346 -3.400 12.785 1.00 18.67 C ATOM 145 H LEU A 32 11.971 -2.811 17.397 1.00 0.00 H ATOM 146 N ARG A 33 16.182 -1.906 16.656 1.00 14.40 N ATOM 147 CA ARG A 33 17.125 -0.798 16.804 1.00 13.91 C ATOM 148 C ARG A 33 18.112 -0.779 15.655 1.00 15.38 C ATOM 149 O ARG A 33 18.659 -1.819 15.282 1.00 15.46 O ATOM 150 CB ARG A 33 17.885 -0.923 18.136 1.00 17.19 C ATOM 151 CG ARG A 33 18.930 0.186 18.364 1.00 15.06 C ATOM 152 CD ARG A 33 19.389 0.255 19.823 1.00 17.19 C ATOM 153 NE ARG A 33 20.148 -0.922 20.224 1.00 21.96 N ATOM 154 CZ ARG A 33 20.780 -1.047 21.389 1.00 23.26 C ATOM 155 NH1 ARG A 33 20.751 -0.056 22.275 1.00 22.57 N ATOM 156 NH2 ARG A 33 21.450 -2.161 21.663 1.00 22.38 N ATOM 157 HE ARG A 33 20.200 -1.717 19.556 1.00 0.00 H ATOM 158 HH12 ARG A 33 21.246 -0.157 23.184 1.00 0.00 H ATOM 159 HH11 ARG A 33 20.234 0.820 22.059 1.00 0.00 H ATOM 160 HH22 ARG A 33 21.944 -2.260 22.573 1.00 0.00 H ATOM 161 HH21 ARG A 33 21.480 -2.934 20.968 1.00 0.00 H ATOM 162 H ARG A 33 16.543 -2.877 16.564 1.00 0.00 H ATOM 163 N ILE A 34 18.343 0.408 15.094 1.00 15.30 N ATOM 164 CA ILE A 34 19.307 0.563 14.023 1.00 13.53 C ATOM 165 C ILE A 34 20.399 1.522 14.495 1.00 16.23 C ATOM 166 O ILE A 34 20.137 2.702 14.724 1.00 17.87 O ATOM 167 CB ILE A 34 18.657 1.114 12.749 1.00 15.83 C ATOM 168 CG1 ILE A 34 17.580 0.150 12.221 1.00 16.62 C ATOM 169 CG2 ILE A 34 19.717 1.395 11.696 1.00 14.76 C ATOM 170 CD1 ILE A 34 16.788 0.709 11.035 1.00 20.46 C ATOM 171 H ILE A 34 17.820 1.241 15.432 1.00 0.00 H ATOM 172 N HIS A 35 21.609 1.000 14.666 1.00 18.51 N ATOM 173 CA HIS A 35 22.720 1.800 15.179 1.00 19.67 C ATOM 174 C HIS A 35 23.256 2.714 14.083 1.00 15.77 C ATOM 175 O HIS A 35 23.150 2.398 12.901 1.00 17.04 O ATOM 176 CB HIS A 35 23.866 0.910 15.669 1.00 17.31 C ATOM 177 CG HIS A 35 23.545 0.094 16.883 1.00 19.31 C ATOM 178 ND1 HIS A 35 23.921 0.471 18.156 1.00 21.80 N ATOM 179 CD2 HIS A 35 22.916 -1.098 17.019 1.00 20.99 C ATOM 180 CE1 HIS A 35 23.526 -0.445 19.021 1.00 23.82 C ATOM 181 NE2 HIS A 35 22.913 -1.410 18.357 1.00 21.48 N ATOM 182 H HIS A 35 21.769 -0.000 14.430 1.00 0.00 H ATOM 183 N PRO A 36 23.869 3.840 14.478 1.00 18.91 N ATOM 184 CA PRO A 36 24.499 4.735 13.501 1.00 19.51 C ATOM 185 C PRO A 36 25.473 4.014 12.566 1.00 19.53 C ATOM 186 O PRO A 36 25.585 4.409 11.407 1.00 20.90 O ATOM 187 CB PRO A 36 25.249 5.730 14.382 1.00 23.41 C ATOM 188 CG PRO A 36 24.430 5.801 15.623 1.00 23.90 C ATOM 189 CD PRO A 36 23.850 4.419 15.830 1.00 20.46 C ATOM 190 N ASP A 37 26.130 2.959 13.047 1.00 18.57 N ATOM 191 CA ASP A 37 27.135 2.254 12.239 1.00 21.18 C ATOM 192 C ASP A 37 26.569 1.175 11.308 1.00 21.57 C ATOM 193 O ASP A 37 27.310 0.562 10.542 1.00 20.73 O ATOM 194 CB ASP A 37 28.262 1.681 13.116 1.00 23.83 C ATOM 195 CG ASP A 37 27.793 0.564 14.046 1.00 22.93 C ATOM 196 OD1 ASP A 37 26.622 0.155 13.968 1.00 20.80 O ATOM 197 OD2 ASP A 37 28.603 0.077 14.859 1.00 21.36 O ATOM 198 H ASP A 37 25.928 2.628 14.012 1.00 0.00 H ATOM 199 N GLY A 38 25.263 0.937 11.386 1.00 20.07 N ATOM 200 CA GLY A 38 24.623 -0.046 10.533 1.00 20.35 C ATOM 201 C GLY A 38 24.175 -1.312 11.243 1.00 20.58 C ATOM 202 O GLY A 38 23.405 -2.102 10.689 1.00 16.60 O ATOM 203 H GLY A 38 24.689 1.467 12.073 1.00 0.00 H ATOM 204 N ARG A 39 24.655 -1.519 12.464 1.00 19.65 N ATOM 205 CA ARG A 39 24.291 -2.723 13.196 1.00 20.10 C ATOM 206 C ARG A 39 22.822 -2.686 13.574 1.00 18.72 C ATOM 207 O ARG A 39 22.288 -1.638 13.937 1.00 16.83 O ATOM 208 CB ARG A 39 25.128 -2.893 14.456 1.00 20.00 C ATOM 209 CG ARG A 39 26.546 -3.374 14.223 1.00 20.67 C ATOM 210 CD ARG A 39 27.297 -3.378 15.550 1.00 22.28 C ATOM 211 NE ARG A 39 27.435 -2.020 16.068 1.00 29.37 N ATOM 212 CZ ARG A 39 27.200 -1.652 17.325 1.00 28.85 C ATOM 213 NH1 ARG A 39 26.813 -2.545 18.225 1.00 27.66 N ATOM 214 NH2 ARG A 39 27.355 -0.377 17.681 1.00 27.51 N ATOM 215 HE ARG A 39 27.741 -1.282 15.402 1.00 0.00 H ATOM 216 HH12 ARG A 39 26.631 -2.250 19.206 1.00 0.00 H ATOM 217 HH11 ARG A 39 26.691 -3.541 17.951 1.00 0.00 H ATOM 218 HH22 ARG A 39 27.172 -0.085 18.662 1.00 0.00 H ATOM 219 HH21 ARG A 39 27.659 0.326 16.977 1.00 0.00 H ATOM 220 H ARG A 39 25.292 -0.820 12.897 1.00 0.00 H ATOM 221 N VAL A 40 22.188 -3.849 13.493 1.00 17.97 N ATOM 222 CA VAL A 40 20.784 -3.990 13.836 1.00 17.80 C ATOM 223 C VAL A 40 20.648 -4.974 15.010 1.00 15.11 C ATOM 224 O VAL A 40 21.304 -6.012 15.047 1.00 16.67 O ATOM 225 CB VAL A 40 19.973 -4.435 12.598 1.00 17.58 C ATOM 226 CG1 VAL A 40 18.526 -4.776 12.969 1.00 15.52 C ATOM 227 CG2 VAL A 40 20.030 -3.339 11.503 1.00 14.34 C ATOM 228 H VAL A 40 22.714 -4.687 13.173 1.00 0.00 H ATOM 229 N ASP A 41 19.828 -4.612 15.989 1.00 16.50 N ATOM 230 CA ASP A 41 19.546 -5.481 17.121 1.00 15.56 C ATOM 231 C ASP A 41 18.227 -5.073 17.771 1.00 16.77 C ATOM 232 O ASP A 41 17.423 -4.372 17.160 1.00 15.96 O ATOM 233 CB ASP A 41 20.700 -5.483 18.145 1.00 18.67 C ATOM 234 CG ASP A 41 21.020 -4.095 18.693 1.00 20.89 C ATOM 235 OD1 ASP A 41 20.174 -3.185 18.566 1.00 15.75 O ATOM 236 OD2 ASP A 41 22.124 -3.917 19.272 1.00 22.04 O ATOM 237 H ASP A 41 19.373 -3.678 15.945 1.00 0.00 H ATOM 238 N GLY A 42 18.010 -5.515 19.005 1.00 16.15 N ATOM 239 CA GLY A 42 16.809 -5.153 19.743 1.00 18.23 C ATOM 240 C GLY A 42 17.125 -4.643 21.137 1.00 20.66 C ATOM 241 O GLY A 42 18.129 -5.033 21.744 1.00 20.40 O ATOM 242 H GLY A 42 18.715 -6.134 19.454 1.00 0.00 H ATOM 243 N VAL A 43 16.273 -3.762 21.649 1.00 17.03 N ATOM 244 CA VAL A 43 16.480 -3.211 22.980 1.00 18.00 C ATOM 245 C VAL A 43 15.124 -2.976 23.643 1.00 20.37 C ATOM 246 O VAL A 43 14.147 -2.669 22.962 1.00 17.77 O ATOM 247 CB VAL A 43 17.348 -1.911 22.923 1.00 18.47 C ATOM 248 CG1 VAL A 43 16.586 -0.762 22.259 1.00 21.75 C ATOM 249 CG2 VAL A 43 17.823 -1.514 24.302 1.00 23.65 C ATOM 250 H VAL A 43 15.448 -3.462 21.092 1.00 0.00 H ATOM 251 N ARG A 44 15.041 -3.165 24.960 1.00 15.59 N ATOM 252 CA ARG A 44 13.766 -2.972 25.652 1.00 15.66 C ATOM 253 C ARG A 44 13.444 -1.514 26.011 1.00 21.17 C ATOM 254 O ARG A 44 12.297 -1.178 26.322 1.00 21.09 O ATOM 255 CB ARG A 44 13.673 -3.877 26.883 1.00 21.11 C ATOM 256 CG ARG A 44 13.426 -5.335 26.516 1.00 25.03 C ATOM 257 CD ARG A 44 12.995 -6.149 27.708 1.00 26.61 C ATOM 258 NE ARG A 44 12.762 -7.538 27.336 1.00 30.13 N ATOM 259 CZ ARG A 44 13.646 -8.517 27.516 1.00 32.91 C ATOM 260 NH1 ARG A 44 14.823 -8.260 28.079 1.00 26.95 N ATOM 261 NH2 ARG A 44 13.345 -9.757 27.153 1.00 29.59 N ATOM 262 HE ARG A 44 11.848 -7.780 26.903 1.00 0.00 H ATOM 263 HH12 ARG A 44 15.511 -9.027 28.218 1.00 0.00 H ATOM 264 HH11 ARG A 44 15.055 -7.292 28.380 1.00 0.00 H ATOM 265 HH22 ARG A 44 14.035 -10.522 27.293 1.00 0.00 H ATOM 266 HH21 ARG A 44 12.419 -9.964 26.728 1.00 0.00 H ATOM 267 H ARG A 44 15.885 -3.450 25.497 1.00 0.00 H ATOM 268 N GLU A 45 14.454 -0.650 25.953 1.00 21.56 N ATOM 269 CA GLU A 45 14.303 0.753 26.342 1.00 22.76 C ATOM 270 C GLU A 45 13.534 1.593 25.330 1.00 24.22 C ATOM 271 O GLU A 45 14.031 1.853 24.231 1.00 20.99 O ATOM 272 CB GLU A 45 15.683 1.379 26.552 1.00 23.72 C ATOM 273 CG GLU A 45 16.639 0.467 27.285 1.00 22.36 C ATOM 274 CD GLU A 45 16.163 0.163 28.678 1.00 26.03 C ATOM 275 OE1 GLU A 45 15.302 0.922 29.183 1.00 27.49 O ATOM 276 OE2 GLU A 45 16.651 -0.824 29.273 1.00 28.77 O ATOM 277 H GLU A 45 15.382 -0.982 25.620 1.00 0.00 H ATOM 278 N LYS A 46 12.347 2.059 25.714 1.00 21.09 N ATOM 279 CA LYS A 46 11.516 2.829 24.789 1.00 27.71 C ATOM 280 C LYS A 46 12.145 4.181 24.460 1.00 26.33 C ATOM 281 O LYS A 46 11.843 4.787 23.429 1.00 22.36 O ATOM 282 CB LYS A 46 10.100 3.012 25.339 1.00 29.79 C ATOM 283 CG LYS A 46 9.980 3.998 26.486 1.00 34.87 C ATOM 284 CD LYS A 46 8.513 4.208 26.876 1.00 43.57 C ATOM 285 CE LYS A 46 8.371 5.089 28.117 1.00 45.99 C ATOM 286 NZ LYS A 46 8.924 6.457 27.908 1.00 48.68 N ATOM 287 HZ1 LYS A 46 9.935 6.389 27.675 1.00 0.00 H ATOM 288 HZ2 LYS A 46 8.417 6.919 27.126 1.00 0.00 H ATOM 289 HZ3 LYS A 46 8.804 7.015 28.777 1.00 0.00 H ATOM 290 H LYS A 46 12.008 1.874 26.680 1.00 0.00 H ATOM 291 N SER A 47 13.039 4.626 25.336 1.00 22.46 N ATOM 292 CA SER A 47 13.690 5.926 25.216 1.00 23.84 C ATOM 293 C SER A 47 14.955 5.896 24.366 1.00 21.62 C ATOM 294 O SER A 47 15.595 6.936 24.167 1.00 22.59 O ATOM 295 CB SER A 47 14.065 6.434 26.609 1.00 21.95 C ATOM 296 OG SER A 47 15.033 5.583 27.192 1.00 22.03 O ATOM 297 HG SER A 47 15.843 5.567 26.622 1.00 0.00 H ATOM 298 H SER A 47 13.286 4.020 26.144 1.00 0.00 H ATOM 299 N ASP A 48 15.319 4.716 23.870 1.00 20.57 N ATOM 300 CA ASP A 48 16.570 4.551 23.129 1.00 21.87 C ATOM 301 C ASP A 48 16.533 5.424 21.884 1.00 22.14 C ATOM 302 O ASP A 48 15.525 5.452 21.180 1.00 18.23 O ATOM 303 CB ASP A 48 16.770 3.078 22.749 1.00 21.84 C ATOM 304 CG ASP A 48 18.054 2.834 21.984 1.00 19.88 C ATOM 305 OD1 ASP A 48 18.123 3.230 20.801 1.00 24.89 O ATOM 306 OD2 ASP A 48 18.981 2.223 22.547 1.00 17.71 O ATOM 307 H ASP A 48 14.700 3.892 24.012 1.00 0.00 H ATOM 308 N PRO A 49 17.631 6.154 21.614 1.00 24.09 N ATOM 309 CA PRO A 49 17.603 7.111 20.507 1.00 25.95 C ATOM 310 C PRO A 49 17.627 6.428 19.142 1.00 25.73 C ATOM 311 O PRO A 49 17.322 7.061 18.131 1.00 31.91 O ATOM 312 CB PRO A 49 18.884 7.928 20.729 1.00 24.51 C ATOM 313 CG PRO A 49 19.799 7.009 21.420 1.00 27.80 C ATOM 314 CD PRO A 49 18.941 6.130 22.294 1.00 25.13 C ATOM 315 N HIS A 50 17.957 5.143 19.110 1.00 20.94 N ATOM 316 CA HIS A 50 18.167 4.467 17.837 1.00 17.77 C ATOM 317 C HIS A 50 17.007 3.553 17.431 1.00 15.63 C ATOM 318 O HIS A 50 17.134 2.773 16.486 1.00 17.24 O ATOM 319 CB HIS A 50 19.480 3.691 17.883 1.00 19.21 C ATOM 320 CG HIS A 50 20.675 4.548 18.175 1.00 21.02 C ATOM 321 ND1 HIS A 50 21.655 4.180 19.074 1.00 26.88 N ATOM 322 CD2 HIS A 50 21.051 5.755 17.687 1.00 24.53 C ATOM 323 CE1 HIS A 50 22.582 5.119 19.126 1.00 22.49 C ATOM 324 NE2 HIS A 50 22.238 6.089 18.296 1.00 23.62 N ATOM 325 H HIS A 50 18.066 4.615 19.999 1.00 0.00 H ATOM 326 N ILE A 51 15.877 3.661 18.124 1.00 18.30 N ATOM 327 CA ILE A 51 14.725 2.813 17.802 1.00 16.02 C ATOM 328 C ILE A 51 13.578 3.551 17.109 1.00 17.09 C ATOM 329 O ILE A 51 12.547 2.952 16.792 1.00 19.97 O ATOM 330 CB ILE A 51 14.168 2.076 19.041 1.00 18.83 C ATOM 331 CG1 ILE A 51 13.627 3.077 20.061 1.00 20.83 C ATOM 332 CG2 ILE A 51 15.217 1.166 19.642 1.00 15.98 C ATOM 333 CD1 ILE A 51 12.619 2.477 21.023 1.00 19.72 C ATOM 334 H ILE A 51 15.810 4.351 18.899 1.00 0.00 H ATOM 335 N LYS A 52 13.736 4.851 16.890 1.00 18.40 N ATOM 336 CA LYS A 52 12.728 5.598 16.163 1.00 21.45 C ATOM 337 C LYS A 52 12.924 5.361 14.666 1.00 17.72 C ATOM 338 O LYS A 52 13.985 5.651 14.127 1.00 19.22 O ATOM 339 CB LYS A 52 12.831 7.083 16.515 1.00 24.53 C ATOM 340 CG LYS A 52 11.598 7.873 16.158 1.00 32.81 C ATOM 341 CD LYS A 52 11.516 9.168 16.952 1.00 37.23 C ATOM 342 CE LYS A 52 11.250 8.870 18.422 1.00 42.23 C ATOM 343 NZ LYS A 52 12.077 9.716 19.323 1.00 43.46 N ATOM 344 HZ1 LYS A 52 13.084 9.540 19.133 1.00 0.00 H ATOM 345 HZ2 LYS A 52 11.860 10.718 19.151 1.00 0.00 H ATOM 346 HZ3 LYS A 52 11.863 9.479 20.313 1.00 0.00 H ATOM 347 H LYS A 52 14.586 5.336 17.241 1.00 0.00 H ATOM 348 N LEU A 53 11.911 4.814 14.002 1.00 16.80 N ATOM 349 CA LEU A 53 12.035 4.438 12.592 1.00 20.00 C ATOM 350 C LEU A 53 11.064 5.200 11.679 1.00 24.03 C ATOM 351 O LEU A 53 9.973 5.591 12.100 1.00 25.96 O ATOM 352 CB LEU A 53 11.806 2.927 12.429 1.00 20.58 C ATOM 353 CG LEU A 53 12.536 1.993 13.400 1.00 19.32 C ATOM 354 CD1 LEU A 53 12.067 0.536 13.207 1.00 18.72 C ATOM 355 CD2 LEU A 53 14.055 2.096 13.263 1.00 19.00 C ATOM 356 H LEU A 53 11.010 4.649 14.495 1.00 0.00 H ATOM 357 N GLN A 54 11.469 5.415 10.428 1.00 19.99 N ATOM 358 CA GLN A 54 10.557 5.950 9.429 1.00 23.94 C ATOM 359 C GLN A 54 10.201 4.846 8.447 1.00 21.50 C ATOM 360 O GLN A 54 11.070 4.304 7.757 1.00 19.88 O ATOM 361 CB GLN A 54 11.171 7.146 8.689 1.00 23.36 C ATOM 362 CG GLN A 54 10.246 7.770 7.653 1.00 30.60 C ATOM 363 CD GLN A 54 8.938 8.285 8.248 1.00 37.83 C ATOM 364 OE1 GLN A 54 8.928 8.916 9.307 1.00 39.15 O ATOM 365 NE2 GLN A 54 7.829 8.012 7.568 1.00 33.29 N ATOM 366 HE22 GLN A 54 7.883 7.476 6.678 1.00 0.00 H ATOM 367 HE21 GLN A 54 6.907 8.334 7.926 1.00 0.00 H ATOM 368 H GLN A 54 12.451 5.197 10.162 1.00 0.00 H ATOM 369 N LEU A 55 8.921 4.496 8.402 1.00 19.70 N ATOM 370 CA LEU A 55 8.461 3.485 7.471 1.00 21.64 C ATOM 371 C LEU A 55 7.788 4.165 6.289 1.00 25.62 C ATOM 372 O LEU A 55 6.743 4.794 6.444 1.00 27.62 O ATOM 373 CB LEU A 55 7.488 2.527 8.149 1.00 22.25 C ATOM 374 CG LEU A 55 8.111 1.379 8.939 1.00 21.39 C ATOM 375 CD1 LEU A 55 8.795 1.880 10.207 1.00 22.27 C ATOM 376 CD2 LEU A 55 7.048 0.345 9.256 1.00 26.95 C ATOM 377 H LEU A 55 8.241 4.953 9.042 1.00 0.00 H ATOM 378 N GLN A 56 8.395 4.048 5.115 1.00 21.48 N ATOM 379 CA GLN A 56 7.881 4.732 3.935 1.00 25.68 C ATOM 380 C GLN A 56 7.381 3.750 2.886 1.00 25.72 C ATOM 381 O GLN A 56 8.112 2.856 2.462 1.00 20.08 O ATOM 382 CB GLN A 56 8.952 5.633 3.325 1.00 22.93 C ATOM 383 CG GLN A 56 8.651 6.068 1.903 1.00 31.20 C ATOM 384 CD GLN A 56 7.530 7.083 1.829 1.00 40.20 C ATOM 385 OE1 GLN A 56 7.132 7.652 2.846 1.00 46.68 O ATOM 386 NE2 GLN A 56 7.016 7.321 0.621 1.00 36.64 N ATOM 387 HE22 GLN A 56 7.385 6.816 -0.210 1.00 0.00 H ATOM 388 HE21 GLN A 56 6.247 8.012 0.510 1.00 0.00 H ATOM 389 H GLN A 56 9.249 3.460 5.036 1.00 0.00 H ATOM 390 N ALA A 57 6.134 3.942 2.466 1.00 23.70 N ATOM 391 CA ALA A 57 5.505 3.088 1.470 1.00 25.30 C ATOM 392 C ALA A 57 6.125 3.347 0.114 1.00 29.34 C ATOM 393 O ALA A 57 6.142 4.486 -0.345 1.00 30.80 O ATOM 394 CB ALA A 57 4.017 3.387 1.409 1.00 28.98 C ATOM 395 H ALA A 57 5.588 4.732 2.864 1.00 0.00 H ATOM 396 N GLU A 58 6.634 2.311 -0.541 1.00 26.20 N ATOM 397 CA GLU A 58 7.115 2.503 -1.905 1.00 26.56 C ATOM 398 C GLU A 58 6.054 2.087 -2.930 1.00 29.52 C ATOM 399 O GLU A 58 6.039 2.588 -4.048 1.00 31.59 O ATOM 400 CB GLU A 58 8.479 1.827 -2.127 1.00 30.93 C ATOM 401 CG GLU A 58 8.453 0.450 -2.758 1.00 33.84 C ATOM 402 CD GLU A 58 8.406 0.492 -4.276 1.00 35.30 C ATOM 403 OE1 GLU A 58 7.402 0.018 -4.844 1.00 35.76 O ATOM 404 OE2 GLU A 58 9.365 0.994 -4.903 1.00 40.01 O ATOM 405 H GLU A 58 6.689 1.376 -0.089 1.00 0.00 H ATOM 406 N GLU A 59 5.176 1.173 -2.524 1.00 23.87 N ATOM 407 CA GLU A 59 4.009 0.761 -3.288 1.00 30.57 C ATOM 408 C GLU A 59 3.062 0.192 -2.244 1.00 27.12 C ATOM 409 O GLU A 59 3.471 -0.029 -1.113 1.00 22.20 O ATOM 410 CB GLU A 59 4.376 -0.330 -4.293 1.00 28.88 C ATOM 411 CG GLU A 59 3.353 -0.542 -5.393 1.00 36.93 C ATOM 412 CD GLU A 59 3.397 -1.951 -5.967 1.00 40.25 C ATOM 413 OE1 GLU A 59 2.378 -2.395 -6.549 1.00 39.83 O ATOM 414 OE2 GLU A 59 4.450 -2.614 -5.835 1.00 37.89 O ATOM 415 H GLU A 59 5.335 0.724 -1.600 1.00 0.00 H ATOM 416 N ARG A 60 1.805 -0.042 -2.603 1.00 29.57 N ATOM 417 CA ARG A 60 0.868 -0.651 -1.664 1.00 27.83 C ATOM 418 C ARG A 60 1.444 -1.917 -1.031 1.00 26.18 C ATOM 419 O ARG A 60 1.750 -2.877 -1.731 1.00 27.37 O ATOM 420 CB ARG A 60 -0.446 -0.989 -2.363 1.00 35.08 C ATOM 421 CG ARG A 60 -1.553 0.025 -2.144 1.00 45.53 C ATOM 422 CD ARG A 60 -2.814 -0.665 -1.647 1.00 46.07 C ATOM 423 NE ARG A 60 -3.229 -1.757 -2.523 1.00 49.56 N ATOM 424 CZ ARG A 60 -3.956 -2.795 -2.118 1.00 57.10 C ATOM 425 NH1 ARG A 60 -4.337 -2.878 -0.851 1.00 57.96 N ATOM 426 NH2 ARG A 60 -4.298 -3.754 -2.970 1.00 56.40 N ATOM 427 HE ARG A 60 -2.940 -1.721 -3.521 1.00 0.00 H ATOM 428 HH12 ARG A 60 -4.905 -3.688 -0.531 1.00 0.00 H ATOM 429 HH11 ARG A 60 -4.068 -2.133 -0.177 1.00 0.00 H ATOM 430 HH22 ARG A 60 -4.867 -4.561 -2.643 1.00 0.00 H ATOM 431 HH21 ARG A 60 -3.997 -3.698 -3.964 1.00 0.00 H ATOM 432 H ARG A 60 1.486 0.210 -3.560 1.00 0.00 H ATOM 433 N GLY A 61 1.610 -1.903 0.288 1.00 24.46 N ATOM 434 CA GLY A 61 2.062 -3.087 1.003 1.00 23.09 C ATOM 435 C GLY A 61 3.567 -3.319 1.013 1.00 20.37 C ATOM 436 O GLY A 61 4.042 -4.324 1.553 1.00 22.12 O ATOM 437 H GLY A 61 1.413 -1.030 0.818 1.00 0.00 H ATOM 438 N VAL A 62 4.319 -2.395 0.422 1.00 20.11 N ATOM 439 CA VAL A 62 5.775 -2.507 0.369 1.00 17.52 C ATOM 440 C VAL A 62 6.416 -1.281 1.014 1.00 19.13 C ATOM 441 O VAL A 62 6.122 -0.148 0.627 1.00 21.03 O ATOM 442 CB VAL A 62 6.274 -2.611 -1.088 1.00 17.63 C ATOM 443 CG1 VAL A 62 7.813 -2.760 -1.127 1.00 16.06 C ATOM 444 CG2 VAL A 62 5.586 -3.757 -1.815 1.00 18.21 C ATOM 445 H VAL A 62 3.859 -1.571 -0.014 1.00 0.00 H ATOM 446 N VAL A 63 7.294 -1.499 1.990 1.00 18.26 N ATOM 447 CA VAL A 63 7.913 -0.382 2.702 1.00 16.11 C ATOM 448 C VAL A 63 9.435 -0.465 2.750 1.00 15.77 C ATOM 449 O VAL A 63 10.015 -1.534 2.599 1.00 17.66 O ATOM 450 CB VAL A 63 7.397 -0.279 4.162 1.00 18.12 C ATOM 451 CG1 VAL A 63 5.879 -0.082 4.190 1.00 18.75 C ATOM 452 CG2 VAL A 63 7.784 -1.518 4.960 1.00 18.72 C ATOM 453 H VAL A 63 7.543 -2.475 2.249 1.00 0.00 H ATOM 454 N SER A 64 10.072 0.685 2.939 1.00 18.53 N ATOM 455 CA SER A 64 11.444 0.733 3.433 1.00 14.56 C ATOM 456 C SER A 64 11.374 1.116 4.908 1.00 15.36 C ATOM 457 O SER A 64 10.385 1.695 5.357 1.00 16.95 O ATOM 458 CB SER A 64 12.297 1.723 2.638 1.00 19.72 C ATOM 459 OG SER A 64 11.786 3.042 2.723 1.00 19.33 O ATOM 460 HG SER A 64 11.775 3.330 3.670 1.00 0.00 H ATOM 461 H SER A 64 9.579 1.576 2.729 1.00 0.00 H ATOM 462 N ILE A 65 12.409 0.762 5.662 1.00 17.89 N ATOM 463 CA ILE A 65 12.466 1.027 7.100 1.00 14.68 C ATOM 464 C ILE A 65 13.764 1.779 7.383 1.00 15.91 C ATOM 465 O ILE A 65 14.852 1.205 7.290 1.00 18.15 O ATOM 466 CB ILE A 65 12.393 -0.296 7.912 1.00 13.60 C ATOM 467 CG1 ILE A 65 11.084 -1.019 7.601 1.00 15.58 C ATOM 468 CG2 ILE A 65 12.478 -0.039 9.406 1.00 17.04 C ATOM 469 CD1 ILE A 65 10.972 -2.402 8.227 1.00 15.01 C ATOM 470 H ILE A 65 13.211 0.277 5.212 1.00 0.00 H ATOM 471 N LYS A 66 13.654 3.065 7.695 1.00 15.72 N ATOM 472 CA LYS A 66 14.846 3.882 7.920 1.00 16.34 C ATOM 473 C LYS A 66 15.027 4.270 9.390 1.00 16.82 C ATOM 474 O LYS A 66 14.072 4.659 10.063 1.00 15.37 O ATOM 475 CB LYS A 66 14.828 5.142 7.055 1.00 16.49 C ATOM 476 CG LYS A 66 16.178 5.888 7.051 1.00 19.31 C ATOM 477 CD LYS A 66 16.073 7.309 6.500 1.00 23.77 C ATOM 478 CE LYS A 66 15.676 8.275 7.597 1.00 24.87 C ATOM 479 NZ LYS A 66 15.666 9.694 7.142 1.00 27.51 N ATOM 480 HZ1 LYS A 66 16.617 9.958 6.814 1.00 0.00 H ATOM 481 HZ2 LYS A 66 14.987 9.802 6.362 1.00 0.00 H ATOM 482 HZ3 LYS A 66 15.387 10.309 7.933 1.00 0.00 H ATOM 483 H LYS A 66 12.711 3.495 7.780 1.00 0.00 H ATOM 484 N GLY A 67 16.259 4.170 9.880 1.00 17.83 N ATOM 485 CA GLY A 67 16.571 4.607 11.231 1.00 16.60 C ATOM 486 C GLY A 67 16.637 6.122 11.225 1.00 20.06 C ATOM 487 O GLY A 67 17.444 6.686 10.497 1.00 19.60 O ATOM 488 H GLY A 67 17.014 3.772 9.286 1.00 0.00 H ATOM 489 N VAL A 68 15.784 6.772 12.016 1.00 17.17 N ATOM 490 CA VAL A 68 15.733 8.233 12.078 1.00 20.41 C ATOM 491 C VAL A 68 17.070 8.818 12.542 1.00 19.97 C ATOM 492 O VAL A 68 17.602 9.747 11.939 1.00 21.35 O ATOM 493 CB VAL A 68 14.590 8.722 12.997 1.00 19.23 C ATOM 494 CG1 VAL A 68 14.691 10.242 13.217 1.00 19.38 C ATOM 495 CG2 VAL A 68 13.232 8.367 12.407 1.00 20.33 C ATOM 496 H VAL A 68 15.132 6.222 12.610 1.00 0.00 H ATOM 497 N SER A 69 17.626 8.256 13.605 1.00 17.84 N ATOM 498 CA SER A 69 18.903 8.727 14.123 1.00 18.97 C ATOM 499 C SER A 69 20.069 8.321 13.223 1.00 25.50 C ATOM 500 O SER A 69 20.989 9.106 12.994 1.00 23.06 O ATOM 501 CB SER A 69 19.116 8.214 15.547 1.00 22.82 C ATOM 502 OG SER A 69 20.375 8.601 16.053 1.00 29.41 O ATOM 503 HG SER A 69 20.480 8.254 16.974 1.00 0.00 H ATOM 504 H SER A 69 17.143 7.466 14.077 1.00 0.00 H ATOM 505 N ALA A 70 20.016 7.102 12.699 1.00 22.25 N ATOM 506 CA ALA A 70 21.131 6.530 11.948 1.00 20.34 C ATOM 507 C ALA A 70 21.226 6.989 10.495 1.00 21.85 C ATOM 508 O ALA A 70 22.311 6.948 9.908 1.00 21.43 O ATOM 509 CB ALA A 70 21.079 4.997 12.012 1.00 19.73 C ATOM 510 H ALA A 70 19.153 6.536 12.827 1.00 0.00 H ATOM 511 N ASN A 71 20.103 7.423 9.921 1.00 21.20 N ATOM 512 CA ASN A 71 20.020 7.709 8.486 1.00 17.30 C ATOM 513 C ASN A 71 20.475 6.533 7.647 1.00 19.34 C ATOM 514 O ASN A 71 21.186 6.696 6.668 1.00 19.61 O ATOM 515 CB ASN A 71 20.823 8.954 8.105 1.00 23.88 C ATOM 516 CG ASN A 71 19.971 10.192 8.028 1.00 23.18 C ATOM 517 OD1 ASN A 71 18.773 10.123 7.754 1.00 23.18 O ATOM 518 ND2 ASN A 71 20.590 11.346 8.258 1.00 24.42 N ATOM 519 HD22 ASN A 71 21.605 11.355 8.486 1.00 0.00 H ATOM 520 HD21 ASN A 71 20.060 12.239 8.210 1.00 0.00 H ATOM 521 H ASN A 71 19.258 7.563 10.511 1.00 0.00 H ATOM 522 N ARG A 72 20.058 5.336 8.041 1.00 17.73 N ATOM 523 CA ARG A 72 20.402 4.136 7.304 1.00 20.07 C ATOM 524 C ARG A 72 19.132 3.323 7.130 1.00 15.27 C ATOM 525 O ARG A 72 18.227 3.406 7.959 1.00 17.21 O ATOM 526 CB ARG A 72 21.451 3.323 8.064 1.00 18.84 C ATOM 527 CG ARG A 72 22.734 4.105 8.340 1.00 20.19 C ATOM 528 CD ARG A 72 23.760 3.246 9.047 1.00 24.64 C ATOM 529 NE ARG A 72 24.356 2.304 8.114 1.00 35.21 N ATOM 530 CZ ARG A 72 25.580 2.423 7.616 1.00 23.58 C ATOM 531 NH1 ARG A 72 26.354 3.431 7.988 1.00 32.44 N ATOM 532 NH2 ARG A 72 26.034 1.519 6.759 1.00 23.94 N ATOM 533 HE ARG A 72 23.787 1.485 7.818 1.00 0.00 H ATOM 534 HH12 ARG A 72 27.313 3.522 7.596 1.00 0.00 H ATOM 535 HH11 ARG A 72 26.003 4.131 8.672 1.00 0.00 H ATOM 536 HH22 ARG A 72 26.993 1.610 6.367 1.00 0.00 H ATOM 537 HH21 ARG A 72 25.431 0.719 6.479 1.00 0.00 H ATOM 538 H ARG A 72 19.472 5.257 8.897 1.00 0.00 H ATOM 539 N TYR A 73 19.074 2.550 6.054 1.00 14.72 N ATOM 540 CA TYR A 73 17.871 1.790 5.719 1.00 17.35 C ATOM 541 C TYR A 73 18.081 0.331 6.009 1.00 15.45 C ATOM 542 O TYR A 73 19.112 -0.241 5.639 1.00 15.64 O ATOM 543 CB TYR A 73 17.528 1.953 4.244 1.00 17.00 C ATOM 544 CG TYR A 73 17.259 3.386 3.874 1.00 17.77 C ATOM 545 CD1 TYR A 73 18.303 4.241 3.539 1.00 21.16 C ATOM 546 CD2 TYR A 73 15.972 3.894 3.895 1.00 19.13 C ATOM 547 CE1 TYR A 73 18.070 5.554 3.223 1.00 22.86 C ATOM 548 CE2 TYR A 73 15.727 5.215 3.572 1.00 20.77 C ATOM 549 CZ TYR A 73 16.784 6.037 3.243 1.00 23.34 C ATOM 550 OH TYR A 73 16.563 7.352 2.920 1.00 27.47 O ATOM 551 HH TYR A 73 16.134 7.811 3.685 1.00 0.00 H ATOM 552 H TYR A 73 19.905 2.483 5.433 1.00 0.00 H ATOM 553 N LEU A 74 17.092 -0.281 6.654 1.00 14.45 N ATOM 554 CA LEU A 74 17.176 -1.696 6.975 1.00 13.45 C ATOM 555 C LEU A 74 17.269 -2.490 5.668 1.00 17.05 C ATOM 556 O LEU A 74 16.527 -2.225 4.715 1.00 16.90 O ATOM 557 CB LEU A 74 15.951 -2.117 7.799 1.00 13.86 C ATOM 558 CG LEU A 74 15.933 -3.529 8.385 1.00 14.10 C ATOM 559 CD1 LEU A 74 16.991 -3.692 9.475 1.00 19.04 C ATOM 560 CD2 LEU A 74 14.542 -3.867 8.915 1.00 17.80 C ATOM 561 H LEU A 74 16.248 0.260 6.932 1.00 0.00 H ATOM 562 N ALA A 75 18.199 -3.437 5.620 1.00 15.81 N ATOM 563 CA ALA A 75 18.389 -4.292 4.452 1.00 16.25 C ATOM 564 C ALA A 75 18.589 -5.733 4.879 1.00 19.17 C ATOM 565 O ALA A 75 19.199 -6.000 5.911 1.00 17.85 O ATOM 566 CB ALA A 75 19.583 -3.825 3.635 1.00 19.72 C ATOM 567 H ALA A 75 18.816 -3.575 6.446 1.00 0.00 H ATOM 568 N MET A 76 18.074 -6.666 4.089 1.00 13.51 N ATOM 569 CA MET A 76 18.394 -8.062 4.322 1.00 18.53 C ATOM 570 C MET A 76 19.281 -8.576 3.205 1.00 18.88 C ATOM 571 O MET A 76 18.993 -8.371 2.029 1.00 19.40 O ATOM 572 CB MET A 76 17.146 -8.934 4.474 1.00 20.15 C ATOM 573 CG MET A 76 17.517 -10.322 4.973 1.00 21.94 C ATOM 574 SD MET A 76 16.134 -11.402 5.177 1.00 29.60 S ATOM 575 CE MET A 76 15.296 -10.614 6.548 1.00 20.37 C ATOM 576 H MET A 76 17.444 -6.398 3.306 1.00 0.00 H ATOM 577 N LYS A 77 20.373 -9.227 3.588 1.00 20.00 N ATOM 578 CA LYS A 77 21.373 -9.706 2.640 1.00 20.84 C ATOM 579 C LYS A 77 21.048 -11.103 2.122 1.00 20.73 C ATOM 580 O LYS A 77 20.164 -11.787 2.639 1.00 20.17 O ATOM 581 CB LYS A 77 22.763 -9.690 3.286 1.00 19.05 C ATOM 582 CG LYS A 77 23.112 -8.345 3.926 1.00 18.36 C ATOM 583 CD LYS A 77 23.106 -7.228 2.905 1.00 22.75 C ATOM 584 CE LYS A 77 24.303 -7.321 1.970 1.00 24.19 C ATOM 585 NZ LYS A 77 24.270 -6.237 0.948 1.00 21.94 N ATOM 586 HZ1 LYS A 77 23.400 -6.320 0.385 1.00 0.00 H ATOM 587 HZ2 LYS A 77 24.290 -5.313 1.424 1.00 0.00 H ATOM 588 HZ3 LYS A 77 25.098 -6.325 0.324 1.00 0.00 H ATOM 589 H LYS A 77 20.521 -9.402 4.602 1.00 0.00 H ATOM 590 N GLU A 78 21.783 -11.530 1.102 1.00 22.38 N ATOM 591 CA GLU A 78 21.502 -12.799 0.454 1.00 22.77 C ATOM 592 C GLU A 78 21.699 -14.017 1.347 1.00 23.73 C ATOM 593 O GLU A 78 21.154 -15.080 1.057 1.00 25.43 O ATOM 594 CB GLU A 78 22.284 -12.940 -0.857 1.00 29.31 C ATOM 595 CG GLU A 78 23.772 -12.678 -0.766 1.00 35.17 C ATOM 596 CD GLU A 78 24.364 -12.293 -2.116 1.00 42.81 C ATOM 597 OE1 GLU A 78 24.247 -13.095 -3.070 1.00 47.50 O ATOM 598 OE2 GLU A 78 24.930 -11.183 -2.229 1.00 43.10 O ATOM 599 H GLU A 78 22.573 -10.946 0.761 1.00 0.00 H ATOM 600 N ASP A 79 22.462 -13.869 2.429 1.00 22.44 N ATOM 601 CA ASP A 79 22.614 -14.956 3.380 1.00 22.41 C ATOM 602 C ASP A 79 21.743 -14.799 4.625 1.00 21.55 C ATOM 603 O ASP A 79 21.898 -15.543 5.584 1.00 23.23 O ATOM 604 CB ASP A 79 24.084 -15.156 3.769 1.00 27.03 C ATOM 605 CG ASP A 79 24.725 -13.898 4.338 1.00 25.93 C ATOM 606 OD1 ASP A 79 23.999 -12.914 4.602 1.00 21.96 O ATOM 607 OD2 ASP A 79 25.965 -13.908 4.526 1.00 26.73 O ATOM 608 H ASP A 79 22.953 -12.967 2.594 1.00 0.00 H ATOM 609 N GLY A 80 20.820 -13.846 4.607 1.00 19.44 N ATOM 610 CA GLY A 80 19.894 -13.674 5.716 1.00 16.22 C ATOM 611 C GLY A 80 20.353 -12.668 6.755 1.00 17.44 C ATOM 612 O GLY A 80 19.656 -12.393 7.731 1.00 18.08 O ATOM 613 H GLY A 80 20.757 -13.211 3.786 1.00 0.00 H ATOM 614 N ARG A 81 21.537 -12.107 6.556 1.00 17.12 N ATOM 615 CA ARG A 81 22.019 -11.090 7.481 1.00 18.57 C ATOM 616 C ARG A 81 21.156 -9.842 7.415 1.00 19.11 C ATOM 617 O ARG A 81 20.678 -9.455 6.348 1.00 18.97 O ATOM 618 CB ARG A 81 23.469 -10.722 7.188 1.00 16.22 C ATOM 619 CG ARG A 81 24.467 -11.768 7.603 1.00 20.39 C ATOM 620 CD ARG A 81 25.736 -11.668 6.760 1.00 24.79 C ATOM 621 NE ARG A 81 26.250 -10.317 6.705 1.00 33.53 N ATOM 622 CZ ARG A 81 26.487 -9.636 5.588 1.00 24.65 C ATOM 623 NH1 ARG A 81 26.258 -10.164 4.389 1.00 28.42 N ATOM 624 NH2 ARG A 81 26.960 -8.415 5.685 1.00 23.53 N ATOM 625 HE ARG A 81 26.449 -9.842 7.608 1.00 0.00 H ATOM 626 HH12 ARG A 81 26.452 -9.609 3.531 1.00 0.00 H ATOM 627 HH11 ARG A 81 25.885 -11.131 4.310 1.00 0.00 H ATOM 628 HH22 ARG A 81 27.153 -7.862 4.825 1.00 0.00 H ATOM 629 HH21 ARG A 81 27.141 -8.000 6.621 1.00 0.00 H ATOM 630 H ARG A 81 22.120 -12.392 5.743 1.00 0.00 H ATOM 631 N LEU A 82 20.951 -9.237 8.578 1.00 16.61 N ATOM 632 CA LEU A 82 20.261 -7.968 8.692 1.00 19.89 C ATOM 633 C LEU A 82 21.299 -6.894 9.021 1.00 19.30 C ATOM 634 O LEU A 82 22.189 -7.110 9.842 1.00 22.11 O ATOM 635 CB LEU A 82 19.223 -8.075 9.813 1.00 24.03 C ATOM 636 CG LEU A 82 17.835 -7.475 9.651 1.00 25.15 C ATOM 637 CD1 LEU A 82 17.181 -7.932 8.354 1.00 24.62 C ATOM 638 CD2 LEU A 82 16.985 -7.837 10.862 1.00 17.06 C ATOM 639 H LEU A 82 21.301 -9.693 9.445 1.00 0.00 H ATOM 640 N LEU A 83 21.199 -5.749 8.357 1.00 17.91 N ATOM 641 CA LEU A 83 22.054 -4.598 8.623 1.00 15.04 C ATOM 642 C LEU A 83 21.340 -3.354 8.093 1.00 16.86 C ATOM 643 O LEU A 83 20.255 -3.464 7.507 1.00 18.09 O ATOM 644 CB LEU A 83 23.419 -4.763 7.950 1.00 17.87 C ATOM 645 CG LEU A 83 23.513 -5.277 6.507 1.00 19.52 C ATOM 646 CD1 LEU A 83 22.977 -4.296 5.473 1.00 22.39 C ATOM 647 CD2 LEU A 83 24.960 -5.627 6.195 1.00 22.05 C ATOM 648 H LEU A 83 20.477 -5.669 7.612 1.00 0.00 H ATOM 649 N ALA A 84 21.928 -2.182 8.275 1.00 17.64 N ATOM 650 CA ALA A 84 21.328 -0.991 7.690 1.00 17.27 C ATOM 651 C ALA A 84 22.326 -0.191 6.862 1.00 19.50 C ATOM 652 O ALA A 84 23.405 0.170 7.341 1.00 21.05 O ATOM 653 CB ALA A 84 20.683 -0.135 8.758 1.00 17.59 C ATOM 654 H ALA A 84 22.806 -2.113 8.828 1.00 0.00 H ATOM 655 N SER A 85 21.953 0.088 5.616 1.00 19.16 N ATOM 656 CA SER A 85 22.847 0.736 4.657 1.00 23.48 C ATOM 657 C SER A 85 22.550 2.220 4.433 1.00 22.21 C ATOM 658 O SER A 85 21.415 2.674 4.586 1.00 20.73 O ATOM 659 CB SER A 85 22.740 0.019 3.316 1.00 24.84 C ATOM 660 OG SER A 85 21.429 0.154 2.811 1.00 27.61 O ATOM 661 HG SER A 85 21.362 -0.312 1.940 1.00 0.00 H ATOM 662 H SER A 85 20.991 -0.164 5.313 1.00 0.00 H ATOM 663 N LYS A 86 23.574 2.979 4.045 1.00 24.16 N ATOM 664 CA LYS A 86 23.378 4.392 3.740 1.00 25.93 C ATOM 665 C LYS A 86 22.549 4.569 2.478 1.00 25.63 C ATOM 666 O LYS A 86 21.773 5.520 2.359 1.00 27.98 O ATOM 667 CB LYS A 86 24.720 5.110 3.574 1.00 26.15 C ATOM 668 CG LYS A 86 25.508 5.265 4.854 1.00 30.03 C ATOM 669 CD LYS A 86 26.813 6.013 4.591 1.00 34.04 C ATOM 670 CE LYS A 86 27.751 5.216 3.685 1.00 41.16 C ATOM 671 NZ LYS A 86 28.246 3.960 4.333 1.00 44.12 N ATOM 672 HZ1 LYS A 86 28.767 4.201 5.201 1.00 0.00 H ATOM 673 HZ2 LYS A 86 27.437 3.352 4.571 1.00 0.00 H ATOM 674 HZ3 LYS A 86 28.877 3.458 3.676 1.00 0.00 H ATOM 675 H LYS A 86 24.522 2.560 3.959 1.00 0.00 H ATOM 676 N SER A 87 22.716 3.649 1.535 1.00 26.74 N ATOM 677 CA SER A 87 21.987 3.716 0.276 1.00 29.60 C ATOM 678 C SER A 87 20.780 2.784 0.254 1.00 26.13 C ATOM 679 O SER A 87 20.763 1.747 0.920 1.00 26.37 O ATOM 680 CB SER A 87 22.913 3.385 -0.894 1.00 31.89 C ATOM 681 OG SER A 87 24.089 4.176 -0.847 1.00 39.26 O ATOM 682 HG SER A 87 24.570 4.000 0.000 1.00 0.00 H ATOM 683 H SER A 87 23.380 2.866 1.699 1.00 0.00 H ATOM 684 N VAL A 88 19.772 3.175 -0.513 1.00 26.36 N ATOM 685 CA VAL A 88 18.594 2.353 -0.723 1.00 24.66 C ATOM 686 C VAL A 88 18.816 1.480 -1.943 1.00 29.95 C ATOM 687 O VAL A 88 19.024 1.988 -3.044 1.00 33.20 O ATOM 688 CB VAL A 88 17.348 3.210 -0.971 1.00 26.73 C ATOM 689 CG1 VAL A 88 16.133 2.322 -1.203 1.00 28.01 C ATOM 690 CG2 VAL A 88 17.115 4.151 0.198 1.00 28.81 C ATOM 691 H VAL A 88 19.827 4.102 -0.980 1.00 0.00 H ATOM 692 N THR A 89 18.784 0.168 -1.737 1.00 24.08 N ATOM 693 CA THR A 89 18.941 -0.797 -2.811 1.00 23.10 C ATOM 694 C THR A 89 17.734 -1.720 -2.800 1.00 21.37 C ATOM 695 O THR A 89 16.859 -1.582 -1.950 1.00 20.97 O ATOM 696 CB THR A 89 20.205 -1.644 -2.607 1.00 25.76 C ATOM 697 OG1 THR A 89 20.059 -2.449 -1.427 1.00 23.45 O ATOM 698 CG2 THR A 89 21.433 -0.752 -2.467 1.00 23.68 C ATOM 699 HG1 THR A 89 19.926 -1.861 -0.642 1.00 0.00 H ATOM 700 H THR A 89 18.641 -0.182 -0.768 1.00 0.00 H ATOM 701 N ASP A 90 17.695 -2.677 -3.719 1.00 20.26 N ATOM 702 CA ASP A 90 16.583 -3.618 -3.768 1.00 22.71 C ATOM 703 C ASP A 90 16.508 -4.503 -2.523 1.00 21.61 C ATOM 704 O ASP A 90 15.521 -5.188 -2.303 1.00 20.88 O ATOM 705 CB ASP A 90 16.618 -4.460 -5.051 1.00 24.62 C ATOM 706 CG ASP A 90 17.868 -5.321 -5.170 1.00 27.77 C ATOM 707 OD1 ASP A 90 18.746 -5.260 -4.286 1.00 27.97 O ATOM 708 OD2 ASP A 90 17.975 -6.064 -6.171 1.00 25.83 O ATOM 709 H ASP A 90 18.467 -2.756 -4.412 1.00 0.00 H ATOM 710 N GLU A 91 17.552 -4.478 -1.705 1.00 19.21 N ATOM 711 CA GLU A 91 17.552 -5.275 -0.481 1.00 21.01 C ATOM 712 C GLU A 91 16.854 -4.552 0.678 1.00 16.73 C ATOM 713 O GLU A 91 16.657 -5.126 1.746 1.00 19.50 O ATOM 714 CB GLU A 91 18.979 -5.701 -0.121 1.00 22.64 C ATOM 715 CG GLU A 91 19.508 -6.810 -1.027 1.00 22.89 C ATOM 716 CD GLU A 91 20.945 -7.201 -0.730 1.00 23.43 C ATOM 717 OE1 GLU A 91 21.740 -6.328 -0.306 1.00 25.48 O ATOM 718 OE2 GLU A 91 21.285 -8.389 -0.928 1.00 28.19 O ATOM 719 H GLU A 91 18.376 -3.887 -1.937 1.00 0.00 H ATOM 720 N CYS A 92 16.460 -3.302 0.452 1.00 15.78 N ATOM 721 CA CYS A 92 15.857 -2.472 1.493 1.00 16.60 C ATOM 722 C CYS A 92 14.321 -2.397 1.453 1.00 15.19 C ATOM 723 O CYS A 92 13.714 -1.527 2.096 1.00 16.74 O ATOM 724 CB CYS A 92 16.406 -1.058 1.392 1.00 19.35 C ATOM 725 SG CYS A 92 18.191 -0.963 1.578 1.00 18.74 S ATOM 726 H CYS A 92 16.585 -2.901 -0.499 1.00 0.00 H ATOM 727 N PHE A 93 13.689 -3.260 0.674 1.00 16.59 N ATOM 728 CA PHE A 93 12.232 -3.231 0.604 1.00 15.46 C ATOM 729 C PHE A 93 11.608 -4.480 1.199 1.00 12.91 C ATOM 730 O PHE A 93 12.115 -5.583 1.012 1.00 15.90 O ATOM 731 CB PHE A 93 11.753 -2.990 -0.825 1.00 16.94 C ATOM 732 CG PHE A 93 12.235 -1.690 -1.390 1.00 17.82 C ATOM 733 CD1 PHE A 93 13.230 -1.665 -2.351 1.00 20.48 C ATOM 734 CD2 PHE A 93 11.725 -0.493 -0.923 1.00 21.66 C ATOM 735 CE1 PHE A 93 13.695 -0.461 -2.852 1.00 24.15 C ATOM 736 CE2 PHE A 93 12.189 0.715 -1.422 1.00 22.70 C ATOM 737 CZ PHE A 93 13.177 0.724 -2.383 1.00 20.64 C ATOM 738 H PHE A 93 14.227 -3.954 0.116 1.00 0.00 H ATOM 739 N PHE A 94 10.489 -4.299 1.900 1.00 14.22 N ATOM 740 CA PHE A 94 9.850 -5.392 2.622 1.00 16.03 C ATOM 741 C PHE A 94 8.349 -5.359 2.427 1.00 13.77 C ATOM 742 O PHE A 94 7.762 -4.288 2.350 1.00 15.48 O ATOM 743 CB PHE A 94 10.159 -5.278 4.116 1.00 17.03 C ATOM 744 CG PHE A 94 11.617 -5.320 4.427 1.00 14.47 C ATOM 745 CD1 PHE A 94 12.382 -4.162 4.429 1.00 17.71 C ATOM 746 CD2 PHE A 94 12.239 -6.529 4.694 1.00 13.29 C ATOM 747 CE1 PHE A 94 13.738 -4.213 4.704 1.00 15.00 C ATOM 748 CE2 PHE A 94 13.596 -6.579 4.965 1.00 18.46 C ATOM 749 CZ PHE A 94 14.342 -5.422 4.968 1.00 17.27 C ATOM 750 H PHE A 94 10.060 -3.352 1.933 1.00 0.00 H ATOM 751 N PHE A 95 7.734 -6.533 2.349 1.00 13.57 N ATOM 752 CA PHE A 95 6.284 -6.608 2.372 1.00 15.41 C ATOM 753 C PHE A 95 5.829 -6.360 3.804 1.00 17.51 C ATOM 754 O PHE A 95 6.247 -7.065 4.724 1.00 17.93 O ATOM 755 CB PHE A 95 5.787 -7.984 1.917 1.00 14.70 C ATOM 756 CG PHE A 95 6.224 -8.371 0.531 1.00 16.03 C ATOM 757 CD1 PHE A 95 5.822 -7.631 -0.578 1.00 17.78 C ATOM 758 CD2 PHE A 95 7.025 -9.486 0.333 1.00 17.46 C ATOM 759 CE1 PHE A 95 6.219 -7.997 -1.861 1.00 20.20 C ATOM 760 CE2 PHE A 95 7.427 -9.854 -0.943 1.00 18.78 C ATOM 761 CZ PHE A 95 7.025 -9.107 -2.042 1.00 18.69 C ATOM 762 H PHE A 95 8.295 -7.405 2.271 1.00 0.00 H ATOM 763 N GLU A 96 4.985 -5.354 4.000 1.00 16.03 N ATOM 764 CA GLU A 96 4.383 -5.134 5.308 1.00 17.72 C ATOM 765 C GLU A 96 2.995 -5.764 5.343 1.00 21.30 C ATOM 766 O GLU A 96 2.099 -5.345 4.619 1.00 18.25 O ATOM 767 CB GLU A 96 4.289 -3.642 5.613 1.00 17.83 C ATOM 768 CG GLU A 96 3.548 -3.342 6.905 1.00 21.03 C ATOM 769 CD GLU A 96 3.482 -1.863 7.200 1.00 26.17 C ATOM 770 OE1 GLU A 96 4.046 -1.438 8.226 1.00 22.47 O ATOM 771 OE2 GLU A 96 2.858 -1.130 6.407 1.00 24.15 O ATOM 772 H GLU A 96 4.751 -4.717 3.212 1.00 0.00 H ATOM 773 N ARG A 97 2.821 -6.783 6.177 1.00 16.85 N ATOM 774 CA ARG A 97 1.548 -7.474 6.246 1.00 18.66 C ATOM 775 C ARG A 97 1.003 -7.426 7.663 1.00 19.74 C ATOM 776 O ARG A 97 1.748 -7.640 8.618 1.00 15.69 O ATOM 777 CB ARG A 97 1.734 -8.926 5.798 1.00 17.65 C ATOM 778 CG ARG A 97 0.478 -9.789 5.818 1.00 19.38 C ATOM 779 CD ARG A 97 0.851 -11.224 5.481 1.00 21.18 C ATOM 780 NE ARG A 97 -0.117 -12.177 6.004 1.00 28.26 N ATOM 781 CZ ARG A 97 -1.204 -12.556 5.348 1.00 28.20 C ATOM 782 NH1 ARG A 97 -1.446 -12.067 4.142 1.00 28.24 N ATOM 783 NH2 ARG A 97 -2.040 -13.424 5.894 1.00 29.99 N ATOM 784 HE ARG A 97 0.054 -12.583 6.946 1.00 0.00 H ATOM 785 HH12 ARG A 97 -2.298 -12.361 3.623 1.00 0.00 H ATOM 786 HH11 ARG A 97 -0.784 -11.389 3.714 1.00 0.00 H ATOM 787 HH22 ARG A 97 -2.893 -13.720 5.378 1.00 0.00 H ATOM 788 HH21 ARG A 97 -1.844 -13.810 6.840 1.00 0.00 H ATOM 789 H ARG A 97 3.606 -7.089 6.787 1.00 0.00 H ATOM 790 N LEU A 98 -0.289 -7.122 7.793 1.00 16.74 N ATOM 791 CA LEU A 98 -0.974 -7.216 9.078 1.00 15.83 C ATOM 792 C LEU A 98 -1.522 -8.628 9.202 1.00 17.85 C ATOM 793 O LEU A 98 -2.437 -9.016 8.474 1.00 19.71 O ATOM 794 CB LEU A 98 -2.118 -6.211 9.172 1.00 16.27 C ATOM 795 CG LEU A 98 -2.911 -6.219 10.484 1.00 17.95 C ATOM 796 CD1 LEU A 98 -1.999 -5.866 11.652 1.00 17.03 C ATOM 797 CD2 LEU A 98 -4.092 -5.255 10.406 1.00 20.86 C ATOM 798 H LEU A 98 -0.822 -6.810 6.957 1.00 0.00 H ATOM 799 N GLU A 99 -0.955 -9.406 10.109 1.00 14.33 N ATOM 800 CA GLU A 99 -1.363 -10.805 10.241 1.00 15.13 C ATOM 801 C GLU A 99 -2.686 -10.926 10.989 1.00 16.83 C ATOM 802 O GLU A 99 -3.175 -9.957 11.562 1.00 14.90 O ATOM 803 CB GLU A 99 -0.281 -11.618 10.953 1.00 15.65 C ATOM 804 CG GLU A 99 1.099 -11.533 10.317 1.00 13.92 C ATOM 805 CD GLU A 99 1.186 -12.168 8.930 1.00 24.41 C ATOM 806 OE1 GLU A 99 2.191 -11.900 8.237 1.00 20.69 O ATOM 807 OE2 GLU A 99 0.271 -12.936 8.530 1.00 21.90 O ATOM 808 H GLU A 99 -0.216 -9.022 10.731 1.00 0.00 H ATOM 809 N SER A 100 -3.256 -12.128 11.011 1.00 18.18 N ATOM 810 CA SER A 100 -4.558 -12.312 11.637 1.00 19.42 C ATOM 811 C SER A 100 -4.540 -12.046 13.142 1.00 20.41 C ATOM 812 O SER A 100 -5.591 -11.786 13.732 1.00 22.65 O ATOM 813 CB SER A 100 -5.108 -13.715 11.343 1.00 17.85 C ATOM 814 OG SER A 100 -4.329 -14.702 11.988 1.00 19.60 O ATOM 815 HG SER A 100 -3.396 -14.649 11.662 1.00 0.00 H ATOM 816 H SER A 100 -2.770 -12.940 10.579 1.00 0.00 H ATOM 817 N ASN A 101 -3.359 -12.118 13.765 1.00 17.34 N ATOM 818 CA ASN A 101 -3.216 -11.799 15.186 1.00 17.82 C ATOM 819 C ASN A 101 -2.958 -10.304 15.454 1.00 20.49 C ATOM 820 O ASN A 101 -2.668 -9.897 16.583 1.00 18.33 O ATOM 821 CB ASN A 101 -2.110 -12.657 15.810 1.00 21.33 C ATOM 822 CG ASN A 101 -0.756 -12.445 15.141 1.00 22.94 C ATOM 823 OD1 ASN A 101 -0.543 -11.457 14.433 1.00 17.64 O ATOM 824 ND2 ASN A 101 0.164 -13.377 15.361 1.00 25.78 N ATOM 825 HD22 ASN A 101 -0.058 -14.194 15.965 1.00 0.00 H ATOM 826 HD21 ASN A 101 1.106 -13.290 14.929 1.00 0.00 H ATOM 827 H ASN A 101 -2.519 -12.409 13.225 1.00 0.00 H ATOM 828 N ASN A 102 -3.057 -9.498 14.398 1.00 16.13 N ATOM 829 CA ASN A 102 -2.901 -8.040 14.484 1.00 16.53 C ATOM 830 C ASN A 102 -1.490 -7.542 14.802 1.00 15.72 C ATOM 831 O ASN A 102 -1.287 -6.390 15.204 1.00 16.39 O ATOM 832 CB ASN A 102 -3.959 -7.404 15.396 1.00 17.23 C ATOM 833 CG ASN A 102 -5.223 -7.055 14.635 1.00 19.07 C ATOM 834 OD1 ASN A 102 -5.333 -7.383 13.461 1.00 18.02 O ATOM 835 ND2 ASN A 102 -6.162 -6.368 15.286 1.00 16.13 N ATOM 836 HD22 ASN A 102 -6.021 -6.113 16.284 1.00 0.00 H ATOM 837 HD21 ASN A 102 -7.035 -6.087 14.795 1.00 0.00 H ATOM 838 H ASN A 102 -3.254 -9.921 13.469 1.00 0.00 H ATOM 839 N TYR A 103 -0.513 -8.409 14.595 1.00 15.81 N ATOM 840 CA TYR A 103 0.872 -7.968 14.560 1.00 14.90 C ATOM 841 C TYR A 103 1.285 -7.875 13.104 1.00 15.46 C ATOM 842 O TYR A 103 0.766 -8.602 12.263 1.00 13.63 O ATOM 843 CB TYR A 103 1.786 -8.948 15.275 1.00 15.39 C ATOM 844 CG TYR A 103 1.686 -8.893 16.769 1.00 20.54 C ATOM 845 CD1 TYR A 103 0.730 -9.647 17.444 1.00 22.16 C ATOM 846 CD2 TYR A 103 2.553 -8.099 17.513 1.00 19.74 C ATOM 847 CE1 TYR A 103 0.632 -9.606 18.824 1.00 21.19 C ATOM 848 CE2 TYR A 103 2.468 -8.054 18.905 1.00 21.16 C ATOM 849 CZ TYR A 103 1.499 -8.812 19.546 1.00 28.87 C ATOM 850 OH TYR A 103 1.383 -8.786 20.917 1.00 32.41 O ATOM 851 HH TYR A 103 0.644 -9.383 21.196 1.00 0.00 H ATOM 852 H TYR A 103 -0.737 -9.415 14.456 1.00 0.00 H ATOM 853 N ASN A 104 2.211 -6.972 12.807 1.00 16.08 N ATOM 854 CA ASN A 104 2.782 -6.886 11.473 1.00 14.73 C ATOM 855 C ASN A 104 3.970 -7.826 11.297 1.00 14.87 C ATOM 856 O ASN A 104 4.674 -8.151 12.252 1.00 14.87 O ATOM 857 CB ASN A 104 3.262 -5.460 11.180 1.00 15.73 C ATOM 858 CG ASN A 104 2.138 -4.534 10.747 1.00 20.28 C ATOM 859 OD1 ASN A 104 0.981 -4.925 10.703 1.00 26.80 O ATOM 860 ND2 ASN A 104 2.484 -3.293 10.430 1.00 27.37 N ATOM 861 HD22 ASN A 104 3.481 -3.002 10.481 1.00 0.00 H ATOM 862 HD21 ASN A 104 1.758 -2.611 10.130 1.00 0.00 H ATOM 863 H ASN A 104 2.535 -6.313 13.543 1.00 0.00 H ATOM 864 N THR A 105 4.188 -8.252 10.060 1.00 15.48 N ATOM 865 CA THR A 105 5.431 -8.907 9.680 1.00 14.00 C ATOM 866 C THR A 105 6.050 -8.122 8.527 1.00 16.16 C ATOM 867 O THR A 105 5.344 -7.430 7.789 1.00 15.95 O ATOM 868 CB THR A 105 5.203 -10.352 9.243 1.00 13.65 C ATOM 869 OG1 THR A 105 4.283 -10.377 8.151 1.00 16.81 O ATOM 870 CG2 THR A 105 4.637 -11.178 10.394 1.00 13.42 C ATOM 871 HG1 THR A 105 4.655 -9.857 7.395 1.00 0.00 H ATOM 872 H THR A 105 3.449 -8.114 9.341 1.00 0.00 H ATOM 873 N TYR A 106 7.369 -8.230 8.395 1.00 14.84 N ATOM 874 CA TYR A 106 8.119 -7.573 7.338 1.00 12.95 C ATOM 875 C TYR A 106 8.970 -8.600 6.630 1.00 15.27 C ATOM 876 O TYR A 106 9.976 -9.083 7.172 1.00 15.01 O ATOM 877 CB TYR A 106 8.980 -6.443 7.929 1.00 14.38 C ATOM 878 CG TYR A 106 8.091 -5.409 8.556 1.00 14.57 C ATOM 879 CD1 TYR A 106 7.564 -4.378 7.795 1.00 15.69 C ATOM 880 CD2 TYR A 106 7.707 -5.512 9.883 1.00 18.50 C ATOM 881 CE1 TYR A 106 6.706 -3.455 8.350 1.00 16.24 C ATOM 882 CE2 TYR A 106 6.853 -4.588 10.449 1.00 19.82 C ATOM 883 CZ TYR A 106 6.356 -3.563 9.671 1.00 17.05 C ATOM 884 OH TYR A 106 5.504 -2.636 10.228 1.00 19.46 O ATOM 885 HH TYR A 106 5.243 -1.974 9.540 1.00 0.00 H ATOM 886 H TYR A 106 7.889 -8.813 9.082 1.00 0.00 H ATOM 887 N ARG A 107 8.536 -8.958 5.429 1.00 14.47 N ATOM 888 CA ARG A 107 9.145 -10.032 4.657 1.00 14.37 C ATOM 889 C ARG A 107 9.954 -9.434 3.513 1.00 15.03 C ATOM 890 O ARG A 107 9.460 -8.558 2.809 1.00 15.23 O ATOM 891 CB ARG A 107 8.032 -10.935 4.132 1.00 18.14 C ATOM 892 CG ARG A 107 8.468 -12.100 3.284 1.00 16.71 C ATOM 893 CD ARG A 107 7.326 -13.110 3.169 1.00 18.34 C ATOM 894 NE ARG A 107 6.125 -12.550 2.547 1.00 18.00 N ATOM 895 CZ ARG A 107 5.877 -12.619 1.246 1.00 21.81 C ATOM 896 NH1 ARG A 107 6.743 -13.229 0.451 1.00 20.47 N ATOM 897 NH2 ARG A 107 4.764 -12.097 0.741 1.00 22.68 N ATOM 898 HE ARG A 107 5.430 -12.073 3.157 1.00 0.00 H ATOM 899 HH12 ARG A 107 6.558 -13.289 -0.571 1.00 0.00 H ATOM 900 HH11 ARG A 107 7.608 -13.648 0.848 1.00 0.00 H ATOM 901 HH22 ARG A 107 4.579 -12.156 -0.281 1.00 0.00 H ATOM 902 HH21 ARG A 107 4.078 -11.629 1.367 1.00 0.00 H ATOM 903 H ARG A 107 7.726 -8.450 5.021 1.00 0.00 H ATOM 904 N SER A 108 11.188 -9.907 3.321 1.00 14.42 N ATOM 905 CA SER A 108 12.069 -9.344 2.286 1.00 15.31 C ATOM 906 C SER A 108 11.437 -9.443 0.907 1.00 13.22 C ATOM 907 O SER A 108 10.944 -10.506 0.510 1.00 15.38 O ATOM 908 CB SER A 108 13.436 -10.038 2.263 1.00 19.21 C ATOM 909 OG SER A 108 14.219 -9.584 1.162 1.00 17.80 O ATOM 910 HG SER A 108 14.359 -8.607 1.239 1.00 0.00 H ATOM 911 H SER A 108 11.533 -10.688 3.914 1.00 0.00 H ATOM 912 N ARG A 109 11.441 -8.331 0.184 1.00 17.29 N ATOM 913 CA ARG A 109 10.906 -8.324 -1.171 1.00 15.09 C ATOM 914 C ARG A 109 11.861 -9.056 -2.114 1.00 20.08 C ATOM 915 O ARG A 109 11.440 -9.603 -3.132 1.00 21.45 O ATOM 916 CB ARG A 109 10.652 -6.895 -1.650 1.00 15.88 C ATOM 917 CG ARG A 109 9.852 -6.849 -2.953 1.00 19.72 C ATOM 918 CD ARG A 109 9.575 -5.434 -3.414 1.00 18.78 C ATOM 919 NE ARG A 109 8.543 -5.448 -4.439 1.00 16.59 N ATOM 920 CZ ARG A 109 8.291 -4.442 -5.267 1.00 21.31 C ATOM 921 NH1 ARG A 109 9.006 -3.323 -5.197 1.00 18.75 N ATOM 922 NH2 ARG A 109 7.321 -4.558 -6.163 1.00 22.71 N ATOM 923 HE ARG A 109 7.962 -6.306 -4.529 1.00 0.00 H ATOM 924 HH12 ARG A 109 8.806 -2.537 -5.847 1.00 0.00 H ATOM 925 HH11 ARG A 109 9.765 -3.234 -4.492 1.00 0.00 H ATOM 926 HH22 ARG A 109 7.119 -3.773 -6.815 1.00 0.00 H ATOM 927 HH21 ARG A 109 6.762 -5.434 -6.214 1.00 0.00 H ATOM 928 H ARG A 109 11.830 -7.455 0.588 1.00 0.00 H ATOM 929 N LYS A 110 13.147 -9.076 -1.770 1.00 19.27 N ATOM 930 CA LYS A 110 14.139 -9.741 -2.613 1.00 21.53 C ATOM 931 C LYS A 110 14.287 -11.226 -2.272 1.00 23.20 C ATOM 932 O LYS A 110 14.275 -12.082 -3.159 1.00 21.55 O ATOM 933 CB LYS A 110 15.494 -9.019 -2.547 1.00 23.47 C ATOM 934 CG LYS A 110 16.481 -9.504 -3.610 1.00 26.78 C ATOM 935 CD LYS A 110 17.713 -8.634 -3.710 1.00 22.90 C ATOM 936 CE LYS A 110 18.622 -9.125 -4.831 1.00 25.39 C ATOM 937 NZ LYS A 110 19.862 -8.303 -4.955 1.00 41.78 N ATOM 938 HZ1 LYS A 110 19.604 -7.316 -5.158 1.00 0.00 H ATOM 939 HZ2 LYS A 110 20.396 -8.347 -4.064 1.00 0.00 H ATOM 940 HZ3 LYS A 110 20.447 -8.675 -5.730 1.00 0.00 H ATOM 941 H LYS A 110 13.450 -8.612 -0.890 1.00 0.00 H ATOM 942 N TYR A 111 14.401 -11.527 -0.981 1.00 18.54 N ATOM 943 CA TYR A 111 14.524 -12.897 -0.502 1.00 19.25 C ATOM 944 C TYR A 111 13.225 -13.277 0.188 1.00 19.46 C ATOM 945 O TYR A 111 13.069 -13.106 1.398 1.00 19.26 O ATOM 946 CB TYR A 111 15.721 -13.005 0.440 1.00 19.57 C ATOM 947 CG TYR A 111 16.929 -12.355 -0.176 1.00 19.19 C ATOM 948 CD1 TYR A 111 17.575 -12.945 -1.254 1.00 22.76 C ATOM 949 CD2 TYR A 111 17.392 -11.128 0.272 1.00 21.54 C ATOM 950 CE1 TYR A 111 18.671 -12.352 -1.848 1.00 23.69 C ATOM 951 CE2 TYR A 111 18.493 -10.522 -0.321 1.00 21.11 C ATOM 952 CZ TYR A 111 19.123 -11.141 -1.385 1.00 22.64 C ATOM 953 OH TYR A 111 20.218 -10.558 -1.983 1.00 26.22 O ATOM 954 HH TYR A 111 20.939 -10.448 -1.313 1.00 0.00 H ATOM 955 H TYR A 111 14.402 -10.753 -0.286 1.00 0.00 H ATOM 956 N THR A 112 12.299 -13.800 -0.607 1.00 18.46 N ATOM 957 CA THR A 112 10.879 -13.742 -0.282 1.00 18.88 C ATOM 958 C THR A 112 10.376 -14.753 0.754 1.00 16.73 C ATOM 959 O THR A 112 9.206 -14.722 1.116 1.00 20.93 O ATOM 960 CB THR A 112 10.012 -13.784 -1.564 1.00 21.16 C ATOM 961 OG1 THR A 112 10.272 -14.994 -2.282 1.00 19.25 O ATOM 962 CG2 THR A 112 10.348 -12.598 -2.459 1.00 21.81 C ATOM 963 HG1 THR A 112 9.716 -15.017 -3.101 1.00 0.00 H ATOM 964 H THR A 112 12.596 -14.265 -1.489 1.00 0.00 H ATOM 965 N SER A 113 11.251 -15.630 1.240 1.00 18.94 N ATOM 966 CA SER A 113 10.895 -16.529 2.346 1.00 20.17 C ATOM 967 C SER A 113 11.430 -16.053 3.700 1.00 20.65 C ATOM 968 O SER A 113 11.264 -16.732 4.717 1.00 19.28 O ATOM 969 CB SER A 113 11.440 -17.942 2.100 1.00 20.73 C ATOM 970 OG SER A 113 10.938 -18.492 0.900 1.00 30.33 O ATOM 971 HG SER A 113 11.310 -19.401 0.774 1.00 0.00 H ATOM 972 H SER A 113 12.205 -15.680 0.829 1.00 0.00 H ATOM 973 N TRP A 114 12.080 -14.898 3.719 1.00 17.98 N ATOM 974 CA TRP A 114 12.806 -14.483 4.914 1.00 17.38 C ATOM 975 C TRP A 114 12.207 -13.230 5.539 1.00 19.09 C ATOM 976 O TRP A 114 11.793 -12.310 4.829 1.00 16.53 O ATOM 977 CB TRP A 114 14.278 -14.276 4.578 1.00 20.31 C ATOM 978 CG TRP A 114 14.965 -15.539 4.102 1.00 25.34 C ATOM 979 CD1 TRP A 114 14.488 -16.815 4.187 1.00 21.56 C ATOM 980 CD2 TRP A 114 16.246 -15.633 3.472 1.00 24.26 C ATOM 981 NE1 TRP A 114 15.392 -17.699 3.648 1.00 24.27 N ATOM 982 CE2 TRP A 114 16.480 -16.998 3.200 1.00 22.86 C ATOM 983 CE3 TRP A 114 17.220 -14.696 3.112 1.00 22.79 C ATOM 984 CZ2 TRP A 114 17.640 -17.447 2.584 1.00 25.41 C ATOM 985 CZ3 TRP A 114 18.370 -15.140 2.500 1.00 24.96 C ATOM 986 CH2 TRP A 114 18.572 -16.506 2.241 1.00 24.60 C ATOM 987 HE1 TRP A 114 15.270 -18.730 3.590 1.00 0.00 H ATOM 988 H TRP A 114 12.072 -14.285 2.879 1.00 0.00 H ATOM 989 N TYR A 115 12.167 -13.199 6.867 1.00 14.20 N ATOM 990 CA TYR A 115 11.537 -12.098 7.589 1.00 14.18 C ATOM 991 C TYR A 115 12.519 -11.363 8.472 1.00 13.57 C ATOM 992 O TYR A 115 13.450 -11.962 8.996 1.00 15.09 O ATOM 993 CB TYR A 115 10.457 -12.628 8.529 1.00 14.91 C ATOM 994 CG TYR A 115 9.222 -13.194 7.885 1.00 15.28 C ATOM 995 CD1 TYR A 115 9.194 -14.509 7.439 1.00 16.04 C ATOM 996 CD2 TYR A 115 8.070 -12.434 7.755 1.00 15.86 C ATOM 997 CE1 TYR A 115 8.070 -15.041 6.869 1.00 16.28 C ATOM 998 CE2 TYR A 115 6.919 -12.969 7.166 1.00 15.20 C ATOM 999 CZ TYR A 115 6.934 -14.273 6.734 1.00 19.32 C ATOM 1000 OH TYR A 115 5.808 -14.825 6.153 1.00 18.50 O ATOM 1001 HH TYR A 115 5.994 -15.765 5.903 1.00 0.00 H ATOM 1002 H TYR A 115 12.595 -13.979 7.405 1.00 0.00 H ATOM 1003 N VAL A 116 12.268 -10.069 8.661 1.00 13.12 N ATOM 1004 CA VAL A 116 12.874 -9.290 9.733 1.00 12.14 C ATOM 1005 C VAL A 116 12.408 -9.911 11.040 1.00 14.40 C ATOM 1006 O VAL A 116 11.207 -10.156 11.222 1.00 12.84 O ATOM 1007 CB VAL A 116 12.424 -7.815 9.675 1.00 15.83 C ATOM 1008 CG1 VAL A 116 13.029 -6.997 10.841 1.00 11.55 C ATOM 1009 CG2 VAL A 116 12.809 -7.202 8.330 1.00 15.04 C ATOM 1010 H VAL A 116 11.609 -9.592 8.013 1.00 0.00 H ATOM 1011 N ALA A 117 13.350 -10.169 11.948 1.00 11.94 N ATOM 1012 CA ALA A 117 13.040 -10.914 13.152 1.00 11.83 C ATOM 1013 C ALA A 117 14.082 -10.696 14.247 1.00 15.08 C ATOM 1014 O ALA A 117 15.269 -10.523 13.958 1.00 13.65 O ATOM 1015 CB ALA A 117 12.947 -12.381 12.826 1.00 15.18 C ATOM 1016 H ALA A 117 14.321 -9.831 11.790 1.00 0.00 H ATOM 1017 N LEU A 118 13.631 -10.725 15.495 1.00 13.14 N ATOM 1018 CA LEU A 118 14.527 -10.634 16.650 1.00 14.27 C ATOM 1019 C LEU A 118 14.433 -11.883 17.519 1.00 14.33 C ATOM 1020 O LEU A 118 13.340 -12.397 17.761 1.00 12.73 O ATOM 1021 CB LEU A 118 14.185 -9.413 17.497 1.00 11.46 C ATOM 1022 CG LEU A 118 14.374 -8.057 16.818 1.00 14.38 C ATOM 1023 CD1 LEU A 118 13.981 -6.937 17.758 1.00 15.70 C ATOM 1024 CD2 LEU A 118 15.805 -7.909 16.368 1.00 14.30 C ATOM 1025 H LEU A 118 12.608 -10.815 15.658 1.00 0.00 H ATOM 1026 N LYS A 119 15.581 -12.352 18.003 1.00 16.84 N ATOM 1027 CA LYS A 119 15.615 -13.480 18.935 1.00 16.16 C ATOM 1028 C LYS A 119 15.259 -13.026 20.337 1.00 17.47 C ATOM 1029 O LYS A 119 15.272 -11.828 20.644 1.00 15.98 O ATOM 1030 CB LYS A 119 17.002 -14.102 18.990 1.00 18.74 C ATOM 1031 CG LYS A 119 17.612 -14.495 17.662 1.00 16.94 C ATOM 1032 CD LYS A 119 18.902 -15.217 17.963 1.00 25.18 C ATOM 1033 CE LYS A 119 19.810 -15.308 16.772 1.00 23.12 C ATOM 1034 NZ LYS A 119 21.022 -16.104 17.116 1.00 28.57 N ATOM 1035 HZ1 LYS A 119 21.528 -15.642 17.899 1.00 0.00 H ATOM 1036 HZ2 LYS A 119 20.736 -17.062 17.403 1.00 0.00 H ATOM 1037 HZ3 LYS A 119 21.645 -16.162 16.285 1.00 0.00 H ATOM 1038 H LYS A 119 16.475 -11.906 17.712 1.00 0.00 H ATOM 1039 N ARG A 120 14.985 -13.995 21.206 1.00 14.73 N ATOM 1040 CA ARG A 120 14.716 -13.702 22.607 1.00 20.01 C ATOM 1041 C ARG A 120 15.897 -13.069 23.343 1.00 19.25 C ATOM 1042 O ARG A 120 15.717 -12.455 24.391 1.00 19.34 O ATOM 1043 CB ARG A 120 14.287 -14.977 23.328 1.00 22.73 C ATOM 1044 CG ARG A 120 12.808 -15.206 23.286 1.00 25.54 C ATOM 1045 CD ARG A 120 12.052 -14.043 23.927 1.00 25.25 C ATOM 1046 NE ARG A 120 10.952 -14.492 24.782 1.00 34.96 N ATOM 1047 CZ ARG A 120 10.930 -14.364 26.106 1.00 31.77 C ATOM 1048 NH1 ARG A 120 11.941 -13.791 26.740 1.00 40.80 N ATOM 1049 NH2 ARG A 120 9.888 -14.795 26.799 1.00 39.94 N ATOM 1050 HE ARG A 120 10.133 -14.941 24.324 1.00 0.00 H ATOM 1051 HH12 ARG A 120 11.918 -13.694 27.775 1.00 0.00 H ATOM 1052 HH11 ARG A 120 12.759 -13.438 26.203 1.00 0.00 H ATOM 1053 HH22 ARG A 120 9.874 -14.693 27.834 1.00 0.00 H ATOM 1054 HH21 ARG A 120 9.083 -15.235 26.309 1.00 0.00 H ATOM 1055 H ARG A 120 14.962 -14.982 20.878 1.00 0.00 H ATOM 1056 N THR A 121 17.098 -13.227 22.799 1.00 19.56 N ATOM 1057 CA THR A 121 18.296 -12.608 23.380 1.00 18.55 C ATOM 1058 C THR A 121 18.420 -11.121 23.048 1.00 21.92 C ATOM 1059 O THR A 121 19.193 -10.391 23.680 1.00 22.80 O ATOM 1060 CB THR A 121 19.578 -13.323 22.927 1.00 18.17 C ATOM 1061 OG1 THR A 121 19.674 -13.281 21.500 1.00 19.25 O ATOM 1062 CG2 THR A 121 19.576 -14.782 23.394 1.00 18.82 C ATOM 1063 HG1 THR A 121 20.501 -13.743 21.212 1.00 0.00 H ATOM 1064 H THR A 121 17.193 -13.804 21.939 1.00 0.00 H ATOM 1065 N GLY A 122 17.655 -10.667 22.059 1.00 18.03 N ATOM 1066 CA GLY A 122 17.729 -9.279 21.630 1.00 19.79 C ATOM 1067 C GLY A 122 18.599 -9.121 20.399 1.00 15.87 C ATOM 1068 O GLY A 122 18.653 -8.061 19.792 1.00 18.22 O ATOM 1069 H GLY A 122 16.994 -11.315 21.585 1.00 0.00 H ATOM 1070 N GLN A 123 19.282 -10.192 20.023 1.00 18.32 N ATOM 1071 CA GLN A 123 20.033 -10.224 18.777 1.00 21.40 C ATOM 1072 C GLN A 123 19.061 -10.451 17.615 1.00 19.52 C ATOM 1073 O GLN A 123 18.047 -11.127 17.784 1.00 18.18 O ATOM 1074 CB GLN A 123 21.051 -11.359 18.836 1.00 22.79 C ATOM 1075 CG GLN A 123 21.708 -11.707 17.517 1.00 24.64 C ATOM 1076 CD GLN A 123 22.757 -12.792 17.680 1.00 30.08 C ATOM 1077 OE1 GLN A 123 22.486 -13.850 18.257 1.00 38.30 O ATOM 1078 NE2 GLN A 123 23.969 -12.526 17.197 1.00 28.89 N ATOM 1079 HE22 GLN A 123 24.151 -11.621 16.718 1.00 0.00 H ATOM 1080 HE21 GLN A 123 24.734 -13.223 17.299 1.00 0.00 H ATOM 1081 H GLN A 123 19.281 -11.033 20.635 1.00 0.00 H ATOM 1082 N TYR A 124 19.353 -9.892 16.439 1.00 14.74 N ATOM 1083 CA TYR A 124 18.506 -10.187 15.287 1.00 16.53 C ATOM 1084 C TYR A 124 18.593 -11.662 14.872 1.00 16.97 C ATOM 1085 O TYR A 124 19.605 -12.336 15.077 1.00 15.04 O ATOM 1086 CB TYR A 124 18.789 -9.236 14.102 1.00 17.51 C ATOM 1087 CG TYR A 124 19.929 -9.650 13.197 1.00 16.05 C ATOM 1088 CD1 TYR A 124 19.747 -10.609 12.207 1.00 15.86 C ATOM 1089 CD2 TYR A 124 21.185 -9.054 13.309 1.00 17.86 C ATOM 1090 CE1 TYR A 124 20.784 -10.988 11.366 1.00 16.29 C ATOM 1091 CE2 TYR A 124 22.226 -9.420 12.466 1.00 17.83 C ATOM 1092 CZ TYR A 124 22.019 -10.379 11.498 1.00 18.04 C ATOM 1093 OH TYR A 124 23.048 -10.751 10.664 1.00 18.19 O ATOM 1094 HH TYR A 124 23.361 -9.961 10.155 1.00 0.00 H ATOM 1095 H TYR A 124 20.171 -9.256 16.345 1.00 0.00 H ATOM 1096 N LYS A 125 17.516 -12.167 14.294 1.00 13.56 N ATOM 1097 CA LYS A 125 17.478 -13.551 13.845 1.00 13.64 C ATOM 1098 C LYS A 125 17.806 -13.647 12.368 1.00 13.71 C ATOM 1099 O LYS A 125 17.241 -12.912 11.553 1.00 14.95 O ATOM 1100 CB LYS A 125 16.089 -14.138 14.101 1.00 14.15 C ATOM 1101 CG LYS A 125 16.034 -15.652 14.077 1.00 16.24 C ATOM 1102 CD LYS A 125 14.715 -16.102 14.685 1.00 15.72 C ATOM 1103 CE LYS A 125 14.645 -17.608 14.873 1.00 17.55 C ATOM 1104 NZ LYS A 125 13.313 -17.985 15.408 1.00 16.77 N ATOM 1105 HZ1 LYS A 125 13.163 -17.516 16.324 1.00 0.00 H ATOM 1106 HZ2 LYS A 125 12.575 -17.686 14.739 1.00 0.00 H ATOM 1107 HZ3 LYS A 125 13.271 -19.016 15.535 1.00 0.00 H ATOM 1108 H LYS A 125 16.680 -11.564 14.158 1.00 0.00 H ATOM 1109 N LEU A 126 18.731 -14.536 12.016 1.00 15.24 N ATOM 1110 CA LEU A 126 19.135 -14.682 10.617 1.00 15.79 C ATOM 1111 C LEU A 126 17.924 -15.013 9.753 1.00 19.12 C ATOM 1112 O LEU A 126 17.172 -15.934 10.072 1.00 19.29 O ATOM 1113 CB LEU A 126 20.202 -15.762 10.486 1.00 19.73 C ATOM 1114 CG LEU A 126 21.026 -15.803 9.198 1.00 28.54 C ATOM 1115 CD1 LEU A 126 22.028 -14.641 9.144 1.00 21.52 C ATOM 1116 CD2 LEU A 126 21.750 -17.143 9.075 1.00 24.40 C ATOM 1117 H LEU A 126 19.172 -15.134 12.743 1.00 0.00 H ATOM 1118 N GLY A 127 17.736 -14.265 8.662 1.00 16.07 N ATOM 1119 CA GLY A 127 16.529 -14.385 7.852 1.00 20.27 C ATOM 1120 C GLY A 127 16.163 -15.797 7.419 1.00 22.03 C ATOM 1121 O GLY A 127 14.985 -16.164 7.358 1.00 18.45 O ATOM 1122 H GLY A 127 18.468 -13.581 8.384 1.00 0.00 H ATOM 1123 N SER A 128 17.189 -16.600 7.156 1.00 21.83 N ATOM 1124 CA SER A 128 17.021 -17.983 6.721 1.00 20.69 C ATOM 1125 C SER A 128 16.581 -18.899 7.861 1.00 20.07 C ATOM 1126 O SER A 128 16.287 -20.080 7.649 1.00 23.67 O ATOM 1127 CB SER A 128 18.334 -18.494 6.141 1.00 24.26 C ATOM 1128 OG SER A 128 19.368 -18.392 7.104 1.00 27.25 O ATOM 1129 HG SER A 128 20.214 -18.727 6.715 1.00 0.00 H ATOM 1130 H SER A 128 18.154 -16.227 7.265 1.00 0.00 H ATOM 1131 N LYS A 129 16.524 -18.357 9.069 1.00 17.79 N ATOM 1132 CA LYS A 129 16.078 -19.139 10.215 1.00 20.79 C ATOM 1133 C LYS A 129 14.669 -18.746 10.649 1.00 18.12 C ATOM 1134 O LYS A 129 14.159 -19.246 11.646 1.00 18.58 O ATOM 1135 CB LYS A 129 17.086 -19.019 11.370 1.00 21.81 C ATOM 1136 CG LYS A 129 18.457 -19.597 11.005 1.00 23.87 C ATOM 1137 CD LYS A 129 19.439 -19.617 12.160 1.00 27.87 C ATOM 1138 CE LYS A 129 20.753 -20.267 11.712 1.00 35.83 C ATOM 1139 NZ LYS A 129 21.887 -20.069 12.669 1.00 43.51 N ATOM 1140 HZ1 LYS A 129 22.070 -19.051 12.782 1.00 0.00 H ATOM 1141 HZ2 LYS A 129 21.638 -20.482 13.590 1.00 0.00 H ATOM 1142 HZ3 LYS A 129 22.738 -20.536 12.297 1.00 0.00 H ATOM 1143 H LYS A 129 16.800 -17.363 9.201 1.00 0.00 H ATOM 1144 N THR A 130 14.046 -17.846 9.890 1.00 16.95 N ATOM 1145 CA THR A 130 12.703 -17.363 10.192 1.00 15.07 C ATOM 1146 C THR A 130 11.637 -18.041 9.336 1.00 17.57 C ATOM 1147 O THR A 130 11.941 -18.713 8.351 1.00 17.51 O ATOM 1148 CB THR A 130 12.581 -15.841 9.947 1.00 17.23 C ATOM 1149 OG1 THR A 130 12.639 -15.576 8.540 1.00 17.22 O ATOM 1150 CG2 THR A 130 13.710 -15.092 10.647 1.00 16.44 C ATOM 1151 HG1 THR A 130 13.502 -15.900 8.180 1.00 0.00 H ATOM 1152 H THR A 130 14.535 -17.474 9.051 1.00 0.00 H ATOM 1153 N GLY A 131 10.381 -17.837 9.714 1.00 15.58 N ATOM 1154 CA GLY A 131 9.263 -18.412 8.994 1.00 17.74 C ATOM 1155 C GLY A 131 7.943 -18.074 9.656 1.00 18.14 C ATOM 1156 O GLY A 131 7.908 -17.657 10.814 1.00 19.88 O ATOM 1157 H GLY A 131 10.194 -17.248 10.550 1.00 0.00 H ATOM 1158 N PRO A 132 6.840 -18.277 8.927 1.00 17.16 N ATOM 1159 CA PRO A 132 5.488 -17.841 9.285 1.00 20.64 C ATOM 1160 C PRO A 132 4.952 -18.152 10.686 1.00 20.41 C ATOM 1161 O PRO A 132 4.181 -17.332 11.187 1.00 35.78 O ATOM 1162 CB PRO A 132 4.619 -18.500 8.206 1.00 22.11 C ATOM 1163 CG PRO A 132 5.502 -18.557 7.035 1.00 24.41 C ATOM 1164 CD PRO A 132 6.885 -18.831 7.562 1.00 20.41 C ATOM 1165 N GLY A 133 5.320 -19.258 11.317 1.00 24.86 N ATOM 1166 CA GLY A 133 4.760 -19.549 12.630 1.00 27.14 C ATOM 1167 C GLY A 133 5.487 -19.014 13.857 1.00 23.18 C ATOM 1168 O GLY A 133 5.094 -19.299 14.991 1.00 27.11 O ATOM 1169 H GLY A 133 6.001 -19.911 10.880 1.00 0.00 H ATOM 1170 N GLN A 134 6.536 -18.229 13.646 1.00 16.70 N ATOM 1171 CA GLN A 134 7.425 -17.830 14.741 1.00 19.60 C ATOM 1172 C GLN A 134 7.029 -16.528 15.437 1.00 18.58 C ATOM 1173 O GLN A 134 6.504 -15.613 14.808 1.00 17.07 O ATOM 1174 CB GLN A 134 8.846 -17.675 14.206 1.00 18.11 C ATOM 1175 CG GLN A 134 9.389 -18.914 13.549 1.00 18.22 C ATOM 1176 CD GLN A 134 10.830 -18.751 13.167 1.00 16.85 C ATOM 1177 OE1 GLN A 134 11.410 -17.673 13.336 1.00 16.18 O ATOM 1178 NE2 GLN A 134 11.421 -19.808 12.630 1.00 14.85 N ATOM 1179 HE22 GLN A 134 10.891 -20.694 12.508 1.00 0.00 H ATOM 1180 HE21 GLN A 134 12.415 -19.752 12.330 1.00 0.00 H ATOM 1181 H GLN A 134 6.732 -17.889 12.683 1.00 0.00 H ATOM 1182 N LYS A 135 7.313 -16.443 16.736 1.00 17.95 N ATOM 1183 CA LYS A 135 7.067 -15.222 17.493 1.00 15.39 C ATOM 1184 C LYS A 135 8.038 -14.143 17.055 1.00 13.19 C ATOM 1185 O LYS A 135 7.730 -12.961 17.112 1.00 14.52 O ATOM 1186 CB LYS A 135 7.215 -15.475 18.998 1.00 18.21 C ATOM 1187 CG LYS A 135 6.599 -14.390 19.872 1.00 19.46 C ATOM 1188 CD LYS A 135 6.797 -14.677 21.359 1.00 23.55 C ATOM 1189 CE LYS A 135 5.883 -15.779 21.828 1.00 27.55 C ATOM 1190 NZ LYS A 135 6.008 -15.955 23.307 1.00 26.25 N ATOM 1191 HZ1 LYS A 135 6.990 -16.201 23.544 1.00 0.00 H ATOM 1192 HZ2 LYS A 135 5.747 -15.068 23.784 1.00 0.00 H ATOM 1193 HZ3 LYS A 135 5.373 -16.717 23.619 1.00 0.00 H ATOM 1194 H LYS A 135 7.720 -17.268 17.221 1.00 0.00 H ATOM 1195 N ALA A 136 9.198 -14.571 16.570 1.00 14.56 N ATOM 1196 CA ALA A 136 10.311 -13.662 16.268 1.00 16.00 C ATOM 1197 C ALA A 136 10.018 -12.672 15.141 1.00 13.39 C ATOM 1198 O ALA A 136 10.652 -11.630 15.056 1.00 12.16 O ATOM 1199 CB ALA A 136 11.577 -14.467 15.943 1.00 12.86 C ATOM 1200 H ALA A 136 9.323 -15.589 16.398 1.00 0.00 H ATOM 1201 N ILE A 137 9.076 -13.006 14.268 1.00 11.10 N ATOM 1202 CA ILE A 137 8.801 -12.171 13.109 1.00 14.03 C ATOM 1203 C ILE A 137 7.670 -11.177 13.358 1.00 14.68 C ATOM 1204 O ILE A 137 7.300 -10.418 12.468 1.00 13.17 O ATOM 1205 CB ILE A 137 8.438 -13.039 11.881 1.00 14.47 C ATOM 1206 CG1 ILE A 137 7.072 -13.710 12.078 1.00 13.57 C ATOM 1207 CG2 ILE A 137 9.538 -14.058 11.615 1.00 13.25 C ATOM 1208 CD1 ILE A 137 6.550 -14.403 10.827 1.00 14.78 C ATOM 1209 H ILE A 137 8.527 -13.877 14.414 1.00 0.00 H ATOM 1210 N LEU A 138 7.115 -11.181 14.563 1.00 12.55 N ATOM 1211 CA LEU A 138 5.906 -10.390 14.824 1.00 13.88 C ATOM 1212 C LEU A 138 6.202 -9.050 15.500 1.00 15.00 C ATOM 1213 O LEU A 138 6.795 -9.014 16.571 1.00 11.86 O ATOM 1214 CB LEU A 138 4.950 -11.194 15.696 1.00 14.66 C ATOM 1215 CG LEU A 138 4.480 -12.526 15.114 1.00 14.65 C ATOM 1216 CD1 LEU A 138 3.725 -13.292 16.195 1.00 15.67 C ATOM 1217 CD2 LEU A 138 3.608 -12.316 13.882 1.00 14.98 C ATOM 1218 H LEU A 138 7.538 -11.747 15.326 1.00 0.00 H ATOM 1219 N PHE A 139 5.782 -7.955 14.871 1.00 13.87 N ATOM 1220 CA PHE A 139 6.058 -6.615 15.390 1.00 12.56 C ATOM 1221 C PHE A 139 4.780 -5.784 15.476 1.00 19.25 C ATOM 1222 O PHE A 139 3.865 -5.942 14.668 1.00 20.28 O ATOM 1223 CB PHE A 139 7.046 -5.865 14.488 1.00 15.48 C ATOM 1224 CG PHE A 139 8.415 -6.473 14.433 1.00 11.46 C ATOM 1225 CD1 PHE A 139 8.689 -7.518 13.561 1.00 12.93 C ATOM 1226 CD2 PHE A 139 9.433 -5.983 15.225 1.00 13.91 C ATOM 1227 CE1 PHE A 139 9.942 -8.079 13.497 1.00 13.33 C ATOM 1228 CE2 PHE A 139 10.702 -6.542 15.174 1.00 13.74 C ATOM 1229 CZ PHE A 139 10.960 -7.590 14.312 1.00 14.16 C ATOM 1230 H PHE A 139 5.243 -8.054 13.987 1.00 0.00 H ATOM 1231 N LEU A 140 4.725 -4.885 16.448 1.00 19.06 N ATOM 1232 CA LEU A 140 3.626 -3.937 16.531 1.00 19.75 C ATOM 1233 C LEU A 140 4.199 -2.530 16.413 1.00 21.39 C ATOM 1234 O LEU A 140 4.993 -2.119 17.254 1.00 18.31 O ATOM 1235 CB LEU A 140 2.889 -4.097 17.853 1.00 22.88 C ATOM 1236 CG LEU A 140 1.794 -3.066 18.132 1.00 28.51 C ATOM 1237 CD1 LEU A 140 0.666 -3.168 17.098 1.00 21.85 C ATOM 1238 CD2 LEU A 140 1.259 -3.254 19.543 1.00 31.56 C ATOM 1239 H LEU A 140 5.480 -4.857 17.163 1.00 0.00 H ATOM 1240 N PRO A 141 3.821 -1.798 15.353 1.00 19.93 N ATOM 1241 CA PRO A 141 4.329 -0.429 15.218 1.00 20.02 C ATOM 1242 C PRO A 141 3.674 0.464 16.255 1.00 20.88 C ATOM 1243 O PRO A 141 2.469 0.372 16.465 1.00 24.45 O ATOM 1244 CB PRO A 141 3.889 -0.015 13.808 1.00 19.29 C ATOM 1245 CG PRO A 141 3.424 -1.289 13.133 1.00 27.16 C ATOM 1246 CD PRO A 141 2.934 -2.167 14.239 1.00 23.36 C ATOM 1247 N MET A 142 4.459 1.309 16.914 1.00 22.59 N ATOM 1248 CA MET A 142 3.907 2.229 17.899 1.00 24.15 C ATOM 1249 C MET A 142 4.456 3.623 17.644 1.00 27.40 C ATOM 1250 O MET A 142 5.608 3.774 17.235 1.00 25.33 O ATOM 1251 CB MET A 142 4.300 1.806 19.310 1.00 24.47 C ATOM 1252 CG MET A 142 4.018 0.363 19.655 1.00 25.55 C ATOM 1253 SD MET A 142 4.734 -0.040 21.257 1.00 32.08 S ATOM 1254 CE MET A 142 3.953 -1.610 21.557 1.00 24.58 C ATOM 1255 H MET A 142 5.481 1.314 16.724 1.00 0.00 H ATOM 1256 N SER A 143 3.649 4.649 17.886 1.00 34.42 N ATOM 1257 CA SER A 143 4.207 5.998 17.892 1.00 39.24 C ATOM 1258 C SER A 143 4.472 6.436 19.326 1.00 44.25 C ATOM 1259 O SER A 143 5.232 5.784 20.047 1.00 46.14 O ATOM 1260 CB SER A 143 3.307 6.996 17.174 1.00 40.54 C ATOM 1261 OG SER A 143 4.077 8.091 16.700 1.00 42.77 O ATOM 1262 HG SER A 143 4.766 7.761 16.070 1.00 0.00 H ATOM 1263 H SER A 143 2.637 4.494 18.068 1.00 0.00 H TER 1264 SER A 143 HETATM 1265 O HOH 1 8.655 -9.754 10.244 1.00 13.53 O HETATM 1266 O HOH 2 11.816 0.331 16.854 1.00 15.38 O HETATM 1267 O HOH 3 15.714 -11.041 10.237 1.00 15.05 O HETATM 1268 O HOH 4 21.716 -8.323 16.563 1.00 13.63 O HETATM 1269 O HOH 5 3.086 0.579 2.169 1.00 31.47 O HETATM 1270 O HOH 6 -1.705 -6.457 5.411 1.00 21.49 O HETATM 1271 O HOH 7 16.518 6.210 15.233 1.00 18.57 O HETATM 1272 O HOH 8 26.791 2.896 15.840 1.00 24.71 O HETATM 1273 O HOH 9 10.107 -11.521 28.119 1.00 34.42 O HETATM 1274 O HOH 10 7.152 5.784 9.915 1.00 35.69 O HETATM 1275 O HOH 11 11.989 4.620 5.015 1.00 21.51 O HETATM 1276 O HOH 12 17.073 3.599 -4.886 1.00 36.08 O HETATM 1277 O HOH 13 17.705 5.229 26.195 1.00 23.28 O HETATM 1278 O HOH 14 6.459 -16.957 4.283 1.00 28.48 O HETATM 1279 O HOH 15 5.170 -9.691 5.621 1.00 15.82 O HETATM 1280 O HOH 16 4.155 -15.976 13.230 1.00 20.55 O HETATM 1281 O HOH 17 14.755 -20.879 13.932 1.00 21.93 O HETATM 1282 O HOH 18 13.699 -12.544 26.189 1.00 33.02 O HETATM 1283 O HOH 19 1.023 -15.251 11.553 1.00 36.65 O HETATM 1284 O HOH 20 -2.106 -14.111 9.267 1.00 22.71 O HETATM 1285 O HOH 21 14.673 -0.361 4.326 1.00 14.76 O HETATM 1286 O HOH 22 14.138 -16.061 0.582 1.00 22.34 O HETATM 1287 O HOH 23 10.911 -9.888 -6.156 1.00 40.28 O HETATM 1288 O HOH 24 16.683 10.851 9.809 1.00 24.59 O HETATM 1289 O HOH 25 14.325 -6.156 -0.021 1.00 26.60 O HETATM 1290 O HOH 26 12.970 6.162 21.333 1.00 28.09 O HETATM 1291 O HOH 27 2.228 -6.742 1.440 1.00 30.43 O HETATM 1292 O HOH 28 3.712 -13.332 5.941 1.00 27.81 O HETATM 1293 O HOH 29 23.506 -9.628 -0.364 1.00 31.77 O HETATM 1294 O HOH 30 -5.931 -5.388 18.016 1.00 26.90 O HETATM 1295 O HOH 31 4.034 -11.186 3.865 1.00 22.89 O HETATM 1296 O HOH 32 -2.393 -7.620 2.803 1.00 35.56 O HETATM 1297 O HOH 33 -0.996 -15.664 17.338 1.00 35.79 O HETATM 1298 O HOH 34 2.600 -10.503 1.945 1.00 32.69 O HETATM 1299 O HOH 35 13.348 -5.435 -3.539 1.00 22.73 O HETATM 1300 O HOH 36 19.876 -16.469 13.852 1.00 20.26 O HETATM 1301 O HOH 37 12.525 -1.277 29.429 1.00 35.31 O HETATM 1302 O HOH 38 -6.160 -10.105 15.900 1.00 23.35 O HETATM 1303 O HOH 39 21.598 -14.479 20.747 1.00 28.22 O HETATM 1304 O HOH 40 -4.968 -10.649 17.755 1.00 36.29 O HETATM 1305 O HOH 41 16.316 -7.997 1.514 1.00 29.16 O HETATM 1306 O HOH 42 24.891 6.982 10.402 1.00 28.73 O HETATM 1307 O HOH 43 -3.073 -16.081 16.349 1.00 39.09 O HETATM 1308 O HOH 44 13.827 -20.651 16.122 1.00 24.11 O HETATM 1309 O HOH 45 19.541 -5.829 24.069 1.00 32.55 O HETATM 1310 O HOH 46 10.079 -3.388 25.975 1.00 32.15 O HETATM 1311 O HOH 47 21.093 7.629 4.065 1.00 30.76 O HETATM 1312 O HOH 48 -1.628 -15.018 12.471 1.00 30.93 O HETATM 1313 O HOH 49 4.338 5.772 3.538 1.00 37.65 O HETATM 1314 O HOH 50 17.381 -16.991 21.405 1.00 23.35 O HETATM 1315 O HOH 51 20.297 5.784 -1.875 1.00 37.13 O HETATM 1316 O HOH 52 18.827 -9.282 26.654 1.00 36.69 O HETATM 1317 O HOH 53 21.671 -1.738 0.830 1.00 34.06 O HETATM 1318 O HOH 54 24.211 1.464 21.983 1.00 40.34 O HETATM 1319 O HOH 55 11.472 1.901 28.835 1.00 32.77 O HETATM 1320 O HOH 56 0.222 -4.322 13.841 1.00 21.17 O HETATM 1321 O HOH 57 18.002 -3.327 -8.426 1.00 35.92 O HETATM 1322 O HOH 58 0.537 1.489 15.023 1.00 31.98 O HETATM 1323 O HOH 59 23.367 8.739 17.469 1.00 29.30 O HETATM 1324 O HOH 60 21.243 3.063 21.822 1.00 27.92 O HETATM 1325 O HOH 61 19.419 -1.904 -6.061 1.00 31.32 O HETATM 1326 O HOH 62 17.237 -19.416 17.546 1.00 31.73 O HETATM 1327 O HOH 63 17.333 -4.614 26.273 1.00 28.69 O HETATM 1328 O HOH 64 11.675 -19.080 5.877 1.00 28.22 O HETATM 1329 O HOH 65 13.531 -14.171 -3.412 1.00 31.03 O HETATM 1330 O HOH 66 12.005 7.193 4.370 1.00 30.90 O HETATM 1331 O HOH 67 16.671 -18.184 23.531 1.00 29.10 O HETATM 1332 O HOH 68 13.005 -20.616 4.426 1.00 32.33 O HETATM 1333 O HOH 69 20.298 -5.795 21.840 1.00 31.27 O HETATM 1334 O HOH 70 24.341 7.339 7.057 1.00 34.98 O HETATM 1335 O HOH 71 1.156 -13.504 1.991 1.00 34.15 O HETATM 1336 O HOH 72 24.918 -8.861 10.340 1.00 18.36 O HETATM 1337 O HOH 73 -7.130 -5.997 12.041 1.00 19.37 O HETATM 1338 O HOH 74 21.727 -17.962 1.055 1.00 43.03 O HETATM 1339 O HOH 75 6.924 -20.901 17.351 1.00 32.46 O HETATM 1340 O HOH 76 0.948 -3.067 4.541 1.00 32.09 O HETATM 1341 O HOH 77 25.195 2.130 1.305 1.00 32.00 O HETATM 1342 O HOH 78 7.172 7.949 24.133 1.00 56.27 O HETATM 1343 O HOH 79 21.796 -20.117 6.702 1.00 41.89 O HETATM 1344 O HOH 80 25.135 -15.841 -4.391 1.00 38.58 O HETATM 1345 O HOH 81 17.264 0.317 -5.952 1.00 41.15 O HETATM 1346 O HOH 82 14.517 8.278 3.327 1.00 28.71 O HETATM 1347 O HOH 83 0.867 -0.103 1.651 1.00 38.60 O HETATM 1348 O HOH 84 9.080 -9.777 -4.547 1.00 31.05 O HETATM 1349 O HOH 85 22.941 9.938 10.690 1.00 32.50 O HETATM 1350 O HOH 86 21.839 -18.085 5.657 1.00 38.60 O HETATM 1351 O HOH 87 9.895 -6.597 28.034 1.00 38.72 O HETATM 1352 O HOH 88 14.740 -19.150 0.259 1.00 36.57 O HETATM 1353 O HOH 89 21.126 -19.054 3.651 1.00 37.55 O HETATM 1354 O HOH 90 13.378 -7.580 -5.654 1.00 35.91 O HETATM 1355 O HOH 91 18.508 4.960 13.860 1.00 16.35 O HETATM 1356 O HOH 92 22.040 -4.867 -5.139 1.00 39.29 O HETATM 1357 O HOH 93 8.075 -22.957 22.833 1.00 25.22 O HETATM 1358 O HOH 94 7.919 -8.079 28.150 1.00 41.26 O HETATM 1359 O HOH 95 19.664 -20.438 2.539 1.00 45.63 O HETATM 1360 C1 SGN A 96 13.938 -19.375 21.526 1.00 0.18 C HETATM 1361 C2 SGN A 96 14.571 -19.583 20.149 1.00 0.11 C HETATM 1362 C3 SGN A 96 14.517 -21.057 19.759 1.00 0.11 C HETATM 1363 C4 SGN A 96 15.165 -21.886 20.856 1.00 0.11 C HETATM 1364 C5 SGN A 96 14.474 -21.580 22.178 1.00 0.12 C HETATM 1365 C6 SGN A 96 15.143 -22.366 23.295 1.00 0.10 C HETATM 1366 O6 SGN A 96 16.488 -21.946 23.290 1.00 -0.26 O HETATM 1367 S2 SGN A 96 17.449 -22.474 24.387 1.00 -0.07 S HETATM 1368 O4S SGN A 96 18.670 -21.684 24.318 1.00 -0.46 O HETATM 1369 O5S SGN A 96 17.718 -23.851 23.985 1.00 -0.46 O HETATM 1370 O6S SGN A 96 16.737 -22.313 25.654 1.00 -0.46 O HETATM 1371 H SGN A 96 15.076 -23.446 23.100 1.00 0.06 H HETATM 1372 H SGN A 96 14.672 -22.138 24.262 1.00 0.06 H HETATM 1373 O5 SGN A 96 14.582 -20.202 22.483 1.00 -0.34 O HETATM 1374 H SGN A 96 13.413 -21.861 22.108 1.00 0.06 H HETATM 1375 O4 SGN A 96 15.075 -23.271 20.555 1.00 -0.39 O HETATM 1376 H SGN A 96 15.511 -23.443 19.729 1.00 0.21 H HETATM 1377 H SGN A 96 16.227 -21.610 20.934 1.00 0.06 H HETATM 1378 O3 SGN A 96 15.202 -21.233 18.542 1.00 -0.39 O HETATM 1379 H SGN A 96 14.786 -20.709 17.867 1.00 0.21 H HETATM 1380 H SGN A 96 13.469 -21.369 19.637 1.00 0.06 H HETATM 1381 N SGN A 96 13.895 -18.762 19.154 1.00 -0.27 N HETATM 1382 S1 SGN A 96 14.395 -17.251 18.952 1.00 -0.12 S HETATM 1383 O1S SGN A 96 13.650 -16.686 17.860 1.00 -0.47 O HETATM 1384 O2S SGN A 96 15.821 -17.352 18.660 1.00 -0.47 O HETATM 1385 O3S SGN A 96 14.152 -16.545 20.198 1.00 -0.47 O HETATM 1386 H SGN A 96 13.140 -19.130 18.611 1.00 0.16 H HETATM 1387 H SGN A 96 15.626 -19.274 20.198 1.00 0.06 H HETATM 1388 O4 SGN A 96 12.585 -19.820 21.344 1.00 -0.34 O HETATM 1389 C4 SGN A 96 11.729 -19.008 22.172 1.00 0.13 C HETATM 1390 C3 SGN A 96 11.125 -17.863 21.355 1.00 0.12 C HETATM 1391 C2 SGN A 96 10.103 -18.328 20.327 1.00 0.16 C HETATM 1392 C1 SGN A 96 9.146 -19.436 20.790 1.00 0.19 C HETATM 1393 O1 SGN A 96 7.854 -18.920 21.170 1.00 -0.35 O HETATM 1394 C7 SGN A 96 7.455 -18.852 22.538 1.00 0.04 C HETATM 1395 H SGN A 96 6.441 -18.430 22.604 1.00 0.05 H HETATM 1396 H SGN A 96 8.156 -18.211 23.093 1.00 0.05 H HETATM 1397 H SGN A 96 7.460 -19.863 22.972 1.00 0.05 H HETATM 1398 O5 SGN A 96 9.772 -20.354 21.699 1.00 -0.33 O HETATM 1399 C5 SGN A 96 10.581 -19.813 22.745 1.00 0.14 C HETATM 1400 C6 SGN A 96 11.061 -20.986 23.543 1.00 0.07 C HETATM 1401 O61 SGN A 96 11.850 -20.787 24.473 1.00 -0.57 O HETATM 1402 O62 SGN A 96 10.622 -22.110 23.226 1.00 -0.57 O HETATM 1403 H SGN A 96 9.974 -19.155 23.385 1.00 0.08 H HETATM 1404 H SGN A 96 8.945 -20.038 19.891 1.00 0.09 H HETATM 1405 O2 SGN A 96 10.775 -18.844 19.189 1.00 -0.25 O HETATM 1406 S SGN A 96 10.231 -18.464 17.799 1.00 -0.07 S HETATM 1407 OS1 SGN A 96 11.064 -19.149 16.798 1.00 -0.46 O HETATM 1408 OS2 SGN A 96 10.317 -17.000 17.681 1.00 -0.46 O HETATM 1409 OS3 SGN A 96 8.823 -18.909 17.674 1.00 -0.46 O HETATM 1410 H SGN A 96 9.503 -17.453 20.035 1.00 0.07 H HETATM 1411 O3 SGN A 96 10.447 -16.950 22.221 1.00 -0.39 O HETATM 1412 H SGN A 96 10.120 -16.217 21.713 1.00 0.21 H HETATM 1413 H SGN A 96 11.942 -17.342 20.835 1.00 0.07 H HETATM 1414 H SGN A 96 12.328 -18.594 22.997 1.00 0.07 H HETATM 1415 H SGN A 96 13.982 -18.321 21.837 1.00 0.09 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1360 1361 1373 1388 1415 CONECT 1361 1360 1362 1381 1387 CONECT 1362 1361 1363 1378 1380 CONECT 1363 1362 1364 1375 1377 CONECT 1364 1363 1365 1373 1374 CONECT 1365 1364 1366 1371 1372 CONECT 1366 1365 1367 CONECT 1367 1366 1368 1369 1370 CONECT 1368 1367 CONECT 1369 1367 CONECT 1370 1367 CONECT 1371 1365 CONECT 1372 1365 CONECT 1373 1360 1364 CONECT 1374 1364 CONECT 1375 1363 1376 CONECT 1376 1375 CONECT 1377 1363 CONECT 1378 1362 1379 CONECT 1379 1378 CONECT 1380 1362 CONECT 1381 1361 1382 1386 CONECT 1382 1381 1383 1384 1385 CONECT 1383 1382 CONECT 1384 1382 CONECT 1385 1382 CONECT 1386 1381 CONECT 1387 1361 CONECT 1388 1360 1389 CONECT 1389 1388 1390 1399 1414 CONECT 1390 1389 1391 1411 1413 CONECT 1391 1390 1392 1405 1410 CONECT 1392 1391 1393 1398 1404 CONECT 1393 1392 1394 CONECT 1394 1393 1395 1396 1397 CONECT 1395 1394 CONECT 1396 1394 CONECT 1397 1394 CONECT 1398 1392 1399 CONECT 1399 1389 1398 1400 1403 CONECT 1400 1399 1401 1402 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1399 CONECT 1404 1392 CONECT 1405 1391 1406 CONECT 1406 1405 1407 1408 1409 CONECT 1407 1406 CONECT 1408 1406 CONECT 1409 1406 CONECT 1410 1391 CONECT 1411 1390 1412 CONECT 1412 1411 CONECT 1413 1390 CONECT 1414 1389 CONECT 1415 1360 MASTER 0 0 0 0 0 0 0 0 1414 1 60 10 END
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Structure:
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Related entries of code: 4oef
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4oee
RCSB PDB
PDBbind
155aa, >4OEE_1|Chain... *
4oeg
RCSB PDB
PDBbind
155aa, >4OEG_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3ud9
RCSB PDB
PDBbind
SGN-IDY
Entry Information
PDB ID
4oef
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fibroblast growth factor 2 FGF2
Ligand Name
SGN-IDY
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=17.5uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 9: pp. 1712-1717
Ligand Properties
Formula
C
1
3
H
2
9
NO
2
0
S
3
Molecular Weight
615.559
Exact Mass
615.045
No. of atoms
66
No. of bonds
67
Polar Surface Area
423.37
LOGP Value
-4.80 (
Computed with XLOGP3
)
-1.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 2
Canonical SMILES
CO[C@@H]1O[C@@H](C(=O)O)[C@H]([C@@H]([C@H]1OS(O)(O)O)O)O[C@H]1O[C@H](COS(O)(O)O)[C@H]([C@@H]([C@H]1NS(O)(O)O)O)O
InChI String
InChI=1S/C13H29NO20S3/c1-29-13-9(34-37(26,27)28)7(17)8(10(33-13)11(18)19)32-12-4(14-35(20,21)22)6(16)5(15)3(31-12)2-30-36(23,24)25/h3-10,12-17,20-28H,2H2,1H3,(H,18,19)/t3-,4-,5-,6-,7+,8+,9-,10-,12-,13-/m1/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):
P09038
Entrez Gene ID
NCBI Entrez Gene ID:
2247
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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