Browse entries in the PDBbind-CN Database
HEADER 4U68_COMPLEX COMPND 4U68_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 64 GLU TYR VAL VAL GLU LYS ILE LEU GLY LYS ARG PHE VAL SEQRES 2 A 64 ASN GLY ARG PRO GLN VAL LEU VAL LYS TRP SER GLY PHE SEQRES 3 A 64 PRO ASN GLU ASN ASN THR TRP GLU PRO LEU GLU ASN VAL SEQRES 4 A 64 GLY ASN CYS MET LYS LEU VAL SER ASP PHE GLU SER GLU SEQRES 5 A 64 VAL PHE ARG LEU HIS ARG LYS ALA ALA ALA LYS SER SEQRES 1 D 64 GLU TYR VAL VAL GLU LYS ILE LEU GLY LYS ARG PHE VAL SEQRES 2 D 64 ASN GLY ARG PRO GLN VAL LEU VAL LYS TRP SER GLY PHE SEQRES 3 D 64 PRO ASN GLU ASN ASN THR TRP GLU PRO LEU GLU ASN VAL SEQRES 4 D 64 GLY ASN CYS MET LYS LEU VAL SER ASP PHE GLU SER GLU SEQRES 5 D 64 VAL PHE ARG LEU HIS ARG LYS ALA ALA ALA LYS SER HET LYS A 233 132 ATOM 1 N GLU A 23 -23.496 0.361 40.759 1.00 60.71 N ATOM 2 CA GLU A 23 -22.789 1.164 39.760 1.00 69.43 C ATOM 3 C GLU A 23 -23.520 1.216 38.416 1.00 65.52 C ATOM 4 O GLU A 23 -23.902 0.180 37.859 1.00 67.28 O ATOM 5 CB GLU A 23 -21.373 0.632 39.570 1.00 71.01 C ATOM 6 CG GLU A 23 -20.682 1.227 38.354 1.00 73.50 C ATOM 7 CD GLU A 23 -19.203 0.995 38.304 1.00 86.96 C ATOM 8 OE1 GLU A 23 -18.789 -0.047 37.749 1.00 87.10 O ATOM 9 OE2 GLU A 23 -18.422 1.909 38.737 1.00 63.78 O ATOM 10 HN3 GLU A 23 -23.594 -0.614 40.412 1.00 0.00 H ATOM 11 HN2 GLU A 23 -24.439 0.768 40.925 1.00 0.00 H ATOM 12 HN1 GLU A 23 -22.956 0.361 41.648 1.00 0.00 H ATOM 13 N TYR A 24 -23.698 2.426 37.891 1.00 48.42 N ATOM 14 CA TYR A 24 -24.506 2.644 36.696 1.00 38.68 C ATOM 15 C TYR A 24 -23.704 3.273 35.568 1.00 36.48 C ATOM 16 O TYR A 24 -22.715 3.969 35.812 1.00 35.61 O ATOM 17 CB TYR A 24 -25.688 3.544 37.030 1.00 36.63 C ATOM 18 CG TYR A 24 -26.717 2.935 37.953 1.00 39.85 C ATOM 19 CD1 TYR A 24 -26.465 2.793 39.310 1.00 40.31 C ATOM 20 CD2 TYR A 24 -27.963 2.548 37.472 1.00 46.04 C ATOM 21 CE1 TYR A 24 -27.409 2.253 40.159 1.00 49.46 C ATOM 22 CE2 TYR A 24 -28.920 2.004 38.316 1.00 48.91 C ATOM 23 CZ TYR A 24 -28.638 1.861 39.657 1.00 53.87 C ATOM 24 OH TYR A 24 -29.580 1.326 40.508 1.00 59.71 O ATOM 25 HH TYR A 24 -29.214 1.297 41.427 1.00 0.00 H ATOM 26 H TYR A 24 -23.246 3.244 38.348 1.00 0.00 H ATOM 27 N VAL A 25 -24.143 3.059 34.331 1.00 27.56 N ATOM 28 CA VAL A 25 -23.498 3.689 33.194 1.00 35.15 C ATOM 29 C VAL A 25 -23.793 5.187 33.197 1.00 33.13 C ATOM 30 O VAL A 25 -24.929 5.611 33.415 1.00 25.47 O ATOM 31 CB VAL A 25 -23.959 3.063 31.853 1.00 30.32 C ATOM 32 CG1 VAL A 25 -23.304 3.773 30.678 1.00 33.64 C ATOM 33 CG2 VAL A 25 -23.629 1.589 31.824 1.00 31.08 C ATOM 34 H VAL A 25 -24.959 2.432 34.177 1.00 0.00 H ATOM 35 N VAL A 26 -22.758 5.984 32.965 1.00 30.32 N ATOM 36 CA VAL A 26 -22.892 7.432 32.966 1.00 23.97 C ATOM 37 C VAL A 26 -22.928 7.953 31.535 1.00 25.02 C ATOM 38 O VAL A 26 -22.139 7.510 30.703 1.00 30.82 O ATOM 39 CB VAL A 26 -21.717 8.085 33.746 1.00 22.95 C ATOM 40 CG1 VAL A 26 -21.741 9.596 33.613 1.00 25.45 C ATOM 41 CG2 VAL A 26 -21.765 7.656 35.197 1.00 21.52 C ATOM 42 H VAL A 26 -21.826 5.562 32.777 1.00 0.00 H ATOM 43 N GLU A 27 -23.845 8.876 31.243 1.00 24.39 N ATOM 44 CA GLU A 27 -23.937 9.434 29.893 1.00 27.31 C ATOM 45 C GLU A 27 -23.103 10.693 29.752 1.00 25.62 C ATOM 46 O GLU A 27 -22.463 10.918 28.728 1.00 23.98 O ATOM 47 CB GLU A 27 -25.391 9.749 29.516 1.00 24.80 C ATOM 48 CG GLU A 27 -25.537 10.578 28.233 1.00 31.39 C ATOM 49 CD GLU A 27 -26.994 10.916 27.914 1.00 45.04 C ATOM 50 OE1 GLU A 27 -27.890 10.246 28.469 1.00 40.69 O ATOM 51 OE2 GLU A 27 -27.237 11.844 27.112 1.00 54.32 O ATOM 52 H GLU A 27 -24.501 9.202 31.981 1.00 0.00 H ATOM 53 N LYS A 28 -23.114 11.521 30.789 1.00 23.68 N ATOM 54 CA LYS A 28 -22.477 12.825 30.712 1.00 23.56 C ATOM 55 C LYS A 28 -22.258 13.386 32.108 1.00 24.35 C ATOM 56 O LYS A 28 -22.960 13.023 33.048 1.00 26.14 O ATOM 57 CB LYS A 28 -23.339 13.798 29.902 1.00 24.57 C ATOM 58 CG LYS A 28 -22.588 14.934 29.253 1.00 36.17 C ATOM 59 CD LYS A 28 -23.515 15.734 28.330 1.00 45.33 C ATOM 60 CE LYS A 28 -22.754 16.812 27.582 1.00 46.82 C ATOM 61 NZ LYS A 28 -23.611 17.424 26.518 1.00 50.49 N ATOM 62 HZ1 LYS A 28 -23.902 16.688 25.843 1.00 0.00 H ATOM 63 HZ2 LYS A 28 -24.454 17.849 26.955 1.00 0.00 H ATOM 64 HZ3 LYS A 28 -23.070 18.159 26.019 1.00 0.00 H ATOM 65 H LYS A 28 -23.585 11.232 31.670 1.00 0.00 H ATOM 66 N ILE A 29 -21.281 14.277 32.223 1.00 18.58 N ATOM 67 CA ILE A 29 -21.077 15.057 33.445 1.00 16.56 C ATOM 68 C ILE A 29 -21.524 16.476 33.154 1.00 22.05 C ATOM 69 O ILE A 29 -21.114 17.046 32.142 1.00 21.34 O ATOM 70 CB ILE A 29 -19.601 15.037 33.891 1.00 20.30 C ATOM 71 CG1 ILE A 29 -19.173 13.610 34.252 1.00 23.81 C ATOM 72 CG2 ILE A 29 -19.391 16.006 35.066 1.00 19.46 C ATOM 73 CD1 ILE A 29 -19.997 12.973 35.395 1.00 21.66 C ATOM 74 H ILE A 29 -20.639 14.426 31.418 1.00 0.00 H ATOM 75 N LEU A 30 -22.358 17.052 34.022 1.00 17.49 N ATOM 76 CA LEU A 30 -23.022 18.325 33.711 1.00 20.64 C ATOM 77 C LEU A 30 -22.685 19.518 34.604 1.00 24.86 C ATOM 78 O LEU A 30 -23.117 20.636 34.335 1.00 25.54 O ATOM 79 CB LEU A 30 -24.538 18.126 33.753 1.00 26.36 C ATOM 80 CG LEU A 30 -25.097 17.119 32.762 1.00 28.00 C ATOM 81 CD1 LEU A 30 -26.590 16.875 33.041 1.00 29.77 C ATOM 82 CD2 LEU A 30 -24.861 17.595 31.337 1.00 35.98 C ATOM 83 H LEU A 30 -22.541 16.591 34.936 1.00 0.00 H ATOM 84 N GLY A 31 -21.933 19.293 35.671 1.00 21.74 N ATOM 85 CA GLY A 31 -21.694 20.361 36.622 1.00 22.61 C ATOM 86 C GLY A 31 -20.677 19.940 37.652 1.00 19.16 C ATOM 87 O GLY A 31 -20.348 18.756 37.764 1.00 17.95 O ATOM 88 H GLY A 31 -21.515 18.353 35.826 1.00 0.00 H ATOM 89 N LYS A 32 -20.169 20.915 38.394 1.00 18.97 N ATOM 90 CA LYS A 32 -19.209 20.646 39.448 1.00 20.34 C ATOM 91 C LYS A 32 -19.456 21.623 40.589 1.00 21.05 C ATOM 92 O LYS A 32 -19.826 22.769 40.366 1.00 25.97 O ATOM 93 CB LYS A 32 -17.779 20.775 38.921 1.00 23.39 C ATOM 94 CG LYS A 32 -16.681 20.535 39.936 1.00 22.82 C ATOM 95 CD LYS A 32 -15.328 20.556 39.197 1.00 35.66 C ATOM 96 CE LYS A 32 -14.133 20.571 40.136 1.00 39.03 C ATOM 97 NZ LYS A 32 -12.859 20.852 39.383 1.00 35.27 N ATOM 98 HZ1 LYS A 32 -12.711 20.113 38.666 1.00 0.00 H ATOM 99 HZ2 LYS A 32 -12.930 21.779 38.918 1.00 0.00 H ATOM 100 HZ3 LYS A 32 -12.059 20.857 40.047 1.00 0.00 H ATOM 101 H LYS A 32 -20.466 21.896 38.216 1.00 0.00 H ATOM 102 N ARG A 33 -19.291 21.151 41.813 1.00 19.61 N ATOM 103 CA ARG A 33 -19.486 22.019 42.958 1.00 16.57 C ATOM 104 C ARG A 33 -18.645 21.508 44.102 1.00 20.94 C ATOM 105 O ARG A 33 -18.119 20.405 44.048 1.00 20.78 O ATOM 106 CB ARG A 33 -20.966 22.069 43.369 1.00 13.62 C ATOM 107 CG ARG A 33 -21.450 20.787 44.052 1.00 18.29 C ATOM 108 CD ARG A 33 -22.960 20.818 44.359 1.00 17.71 C ATOM 109 NE ARG A 33 -23.368 19.672 45.173 1.00 20.85 N ATOM 110 CZ ARG A 33 -24.589 19.509 45.680 1.00 18.30 C ATOM 111 NH1 ARG A 33 -25.528 20.420 45.468 1.00 21.69 N ATOM 112 NH2 ARG A 33 -24.869 18.425 46.391 1.00 23.46 N ATOM 113 HE ARG A 33 -22.658 18.937 45.368 1.00 0.00 H ATOM 114 HH12 ARG A 33 -26.480 20.288 45.866 1.00 0.00 H ATOM 115 HH11 ARG A 33 -25.313 21.267 44.904 1.00 0.00 H ATOM 116 HH22 ARG A 33 -25.821 18.295 46.788 1.00 0.00 H ATOM 117 HH21 ARG A 33 -24.136 17.705 46.552 1.00 0.00 H ATOM 118 H ARG A 33 -19.021 20.157 41.955 1.00 0.00 H ATOM 119 N PHE A 34 -18.518 22.319 45.144 1.00 18.18 N ATOM 120 CA PHE A 34 -17.893 21.854 46.370 1.00 19.84 C ATOM 121 C PHE A 34 -18.894 21.834 47.500 1.00 17.48 C ATOM 122 O PHE A 34 -19.669 22.774 47.655 1.00 20.90 O ATOM 123 CB PHE A 34 -16.716 22.746 46.721 1.00 20.01 C ATOM 124 CG PHE A 34 -15.577 22.584 45.777 1.00 20.11 C ATOM 125 CD1 PHE A 34 -14.564 21.686 46.054 1.00 21.27 C ATOM 126 CD2 PHE A 34 -15.560 23.271 44.573 1.00 24.81 C ATOM 127 CE1 PHE A 34 -13.527 21.509 45.164 1.00 22.82 C ATOM 128 CE2 PHE A 34 -14.527 23.094 43.675 1.00 30.23 C ATOM 129 CZ PHE A 34 -13.505 22.212 43.977 1.00 26.73 C ATOM 130 H PHE A 34 -18.869 23.296 45.083 1.00 0.00 H ATOM 131 N VAL A 35 -18.859 20.768 48.280 1.00 20.34 N ATOM 132 CA VAL A 35 -19.721 20.650 49.447 1.00 22.22 C ATOM 133 C VAL A 35 -18.837 20.423 50.656 1.00 21.61 C ATOM 134 O VAL A 35 -18.098 19.426 50.735 1.00 21.26 O ATOM 135 CB VAL A 35 -20.733 19.509 49.305 1.00 21.90 C ATOM 136 CG1 VAL A 35 -21.503 19.315 50.612 1.00 26.56 C ATOM 137 CG2 VAL A 35 -21.694 19.795 48.131 1.00 19.18 C ATOM 138 H VAL A 35 -18.200 19.995 48.055 1.00 0.00 H ATOM 139 N ASN A 36 -18.897 21.370 51.586 1.00 22.64 N ATOM 140 CA ASN A 36 -17.985 21.365 52.732 1.00 20.54 C ATOM 141 C ASN A 36 -16.524 21.250 52.301 1.00 23.11 C ATOM 142 O ASN A 36 -15.717 20.582 52.954 1.00 25.45 O ATOM 143 CB ASN A 36 -18.363 20.237 53.691 1.00 23.08 C ATOM 144 CG ASN A 36 -19.758 20.417 54.257 1.00 28.46 C ATOM 145 OD1 ASN A 36 -20.249 21.544 54.348 1.00 26.09 O ATOM 146 ND2 ASN A 36 -20.396 19.320 54.650 1.00 26.43 N ATOM 147 HD22 ASN A 36 -19.940 18.390 54.553 1.00 0.00 H ATOM 148 HD21 ASN A 36 -21.351 19.391 55.055 1.00 0.00 H ATOM 149 H ASN A 36 -19.604 22.128 51.499 1.00 0.00 H ATOM 150 N GLY A 37 -16.201 21.898 51.189 1.00 23.61 N ATOM 151 CA GLY A 37 -14.840 21.951 50.689 1.00 23.89 C ATOM 152 C GLY A 37 -14.434 20.771 49.816 1.00 22.03 C ATOM 153 O GLY A 37 -13.307 20.735 49.338 1.00 22.88 O ATOM 154 H GLY A 37 -16.950 22.385 50.657 1.00 0.00 H ATOM 155 N ARG A 38 -15.338 19.815 49.602 1.00 21.96 N ATOM 156 CA ARG A 38 -14.998 18.605 48.827 1.00 23.48 C ATOM 157 C ARG A 38 -15.732 18.574 47.489 1.00 23.43 C ATOM 158 O ARG A 38 -16.927 18.901 47.430 1.00 19.39 O ATOM 159 CB ARG A 38 -15.329 17.343 49.619 1.00 21.55 C ATOM 160 CG ARG A 38 -14.644 17.247 50.976 1.00 26.88 C ATOM 161 CD ARG A 38 -13.135 17.179 50.821 1.00 41.77 C ATOM 162 NE ARG A 38 -12.710 15.954 50.145 1.00 50.90 N ATOM 163 CZ ARG A 38 -11.440 15.578 50.010 1.00 53.19 C ATOM 164 NH1 ARG A 38 -10.462 16.322 50.515 1.00 50.52 N ATOM 165 NH2 ARG A 38 -11.146 14.450 49.378 1.00 53.48 N ATOM 166 HE ARG A 38 -13.446 15.338 49.745 1.00 0.00 H ATOM 167 HH12 ARG A 38 -9.472 16.023 50.406 1.00 0.00 H ATOM 168 HH11 ARG A 38 -10.687 17.204 51.019 1.00 0.00 H ATOM 169 HH22 ARG A 38 -10.154 14.156 49.273 1.00 0.00 H ATOM 170 HH21 ARG A 38 -11.908 13.859 48.988 1.00 0.00 H ATOM 171 H ARG A 38 -16.298 19.923 49.987 1.00 0.00 H ATOM 172 N PRO A 39 -15.023 18.180 46.414 1.00 22.57 N ATOM 173 CA PRO A 39 -15.615 18.281 45.076 1.00 17.79 C ATOM 174 C PRO A 39 -16.677 17.218 44.779 1.00 17.62 C ATOM 175 O PRO A 39 -16.537 16.052 45.159 1.00 21.07 O ATOM 176 CB PRO A 39 -14.407 18.113 44.140 1.00 18.38 C ATOM 177 CG PRO A 39 -13.479 17.173 44.919 1.00 20.42 C ATOM 178 CD PRO A 39 -13.657 17.611 46.388 1.00 20.51 C ATOM 179 N GLN A 40 -17.726 17.639 44.081 1.00 17.99 N ATOM 180 CA GLN A 40 -18.756 16.736 43.571 1.00 16.30 C ATOM 181 C GLN A 40 -19.051 17.066 42.117 1.00 21.22 C ATOM 182 O GLN A 40 -18.803 18.172 41.664 1.00 18.96 O ATOM 183 CB GLN A 40 -20.047 16.840 44.390 1.00 20.72 C ATOM 184 CG GLN A 40 -19.896 16.538 45.901 1.00 21.99 C ATOM 185 CD GLN A 40 -21.225 16.656 46.634 1.00 19.16 C ATOM 186 OE1 GLN A 40 -22.179 17.179 46.090 1.00 20.75 O ATOM 187 NE2 GLN A 40 -21.276 16.187 47.881 1.00 25.51 N ATOM 188 HE22 GLN A 40 -20.435 15.747 48.306 1.00 0.00 H ATOM 189 HE21 GLN A 40 -22.157 16.261 48.429 1.00 0.00 H ATOM 190 H GLN A 40 -17.819 18.657 43.889 1.00 0.00 H ATOM 191 N VAL A 41 -19.611 16.112 41.386 1.00 22.39 N ATOM 192 CA VAL A 41 -20.003 16.379 40.004 1.00 13.37 C ATOM 193 C VAL A 41 -21.449 15.940 39.774 1.00 18.03 C ATOM 194 O VAL A 41 -21.958 15.038 40.444 1.00 18.65 O ATOM 195 CB VAL A 41 -19.084 15.669 38.978 1.00 15.88 C ATOM 196 CG1 VAL A 41 -17.682 16.294 38.977 1.00 19.56 C ATOM 197 CG2 VAL A 41 -19.035 14.164 39.226 1.00 19.64 C ATOM 198 H VAL A 41 -19.772 15.171 41.798 1.00 0.00 H ATOM 199 N LEU A 42 -22.089 16.592 38.811 1.00 17.73 N ATOM 200 CA LEU A 42 -23.493 16.344 38.513 1.00 21.47 C ATOM 201 C LEU A 42 -23.572 15.332 37.378 1.00 21.30 C ATOM 202 O LEU A 42 -23.061 15.584 36.296 1.00 20.44 O ATOM 203 CB LEU A 42 -24.193 17.644 38.138 1.00 23.09 C ATOM 204 CG LEU A 42 -25.660 17.555 37.722 1.00 21.09 C ATOM 205 CD1 LEU A 42 -26.539 17.033 38.854 1.00 25.67 C ATOM 206 CD2 LEU A 42 -26.125 18.923 37.220 1.00 22.15 C ATOM 207 H LEU A 42 -21.572 17.301 38.253 1.00 0.00 H ATOM 208 N VAL A 43 -24.194 14.191 37.653 1.00 18.48 N ATOM 209 CA VAL A 43 -24.144 13.035 36.767 1.00 21.90 C ATOM 210 C VAL A 43 -25.476 12.830 36.046 1.00 21.40 C ATOM 211 O VAL A 43 -26.528 12.749 36.681 1.00 22.78 O ATOM 212 CB VAL A 43 -23.811 11.743 37.535 1.00 22.23 C ATOM 213 CG1 VAL A 43 -23.767 10.550 36.596 1.00 21.42 C ATOM 214 CG2 VAL A 43 -22.470 11.863 38.280 1.00 20.25 C ATOM 215 H VAL A 43 -24.739 14.120 38.536 1.00 0.00 H ATOM 216 N LYS A 44 -25.410 12.744 34.725 1.00 22.38 N ATOM 217 CA LYS A 44 -26.547 12.305 33.922 1.00 24.29 C ATOM 218 C LYS A 44 -26.358 10.816 33.701 1.00 27.36 C ATOM 219 O LYS A 44 -25.361 10.393 33.107 1.00 25.56 O ATOM 220 CB LYS A 44 -26.616 13.072 32.602 1.00 24.39 C ATOM 221 CG LYS A 44 -27.560 12.487 31.533 1.00 32.06 C ATOM 222 CD LYS A 44 -29.017 12.433 31.993 1.00 32.85 C ATOM 223 CE LYS A 44 -29.964 12.137 30.810 1.00 28.75 C ATOM 224 NZ LYS A 44 -29.798 10.764 30.250 1.00 30.36 N ATOM 225 HZ1 LYS A 44 -28.823 10.646 29.908 1.00 0.00 H ATOM 226 HZ2 LYS A 44 -29.994 10.062 30.992 1.00 0.00 H ATOM 227 HZ3 LYS A 44 -30.462 10.630 29.461 1.00 0.00 H ATOM 228 H LYS A 44 -24.522 12.997 34.247 1.00 0.00 H ATOM 229 N TRP A 45 -27.296 10.015 34.206 1.00 26.12 N ATOM 230 CA TRP A 45 -27.186 8.567 34.101 1.00 24.50 C ATOM 231 C TRP A 45 -27.768 8.057 32.775 1.00 26.07 C ATOM 232 O TRP A 45 -28.839 8.494 32.352 1.00 26.41 O ATOM 233 CB TRP A 45 -27.891 7.906 35.282 1.00 23.35 C ATOM 234 CG TRP A 45 -27.371 8.374 36.607 1.00 22.51 C ATOM 235 CD1 TRP A 45 -27.897 9.349 37.403 1.00 26.01 C ATOM 236 CD2 TRP A 45 -26.187 7.909 37.270 1.00 25.38 C ATOM 237 NE1 TRP A 45 -27.124 9.509 38.538 1.00 24.00 N ATOM 238 CE2 TRP A 45 -26.068 8.635 38.476 1.00 26.62 C ATOM 239 CE3 TRP A 45 -25.215 6.948 36.960 1.00 25.43 C ATOM 240 CZ2 TRP A 45 -25.019 8.427 39.373 1.00 27.08 C ATOM 241 CZ3 TRP A 45 -24.175 6.735 37.863 1.00 26.98 C ATOM 242 CH2 TRP A 45 -24.086 7.473 39.048 1.00 31.69 C ATOM 243 HE1 TRP A 45 -27.312 10.180 39.310 1.00 0.00 H ATOM 244 H TRP A 45 -28.121 10.432 34.683 1.00 0.00 H ATOM 245 N SER A 46 -27.052 7.145 32.124 1.00 28.79 N ATOM 246 CA SER A 46 -27.515 6.568 30.864 1.00 35.55 C ATOM 247 C SER A 46 -28.800 5.776 31.085 1.00 30.52 C ATOM 248 O SER A 46 -28.872 4.933 31.980 1.00 32.13 O ATOM 249 CB SER A 46 -26.438 5.670 30.253 1.00 41.06 C ATOM 250 OG SER A 46 -26.842 5.163 28.984 1.00 45.79 O ATOM 251 HG SER A 46 -26.125 4.587 28.617 1.00 0.00 H ATOM 252 H SER A 46 -26.142 6.835 32.521 1.00 0.00 H ATOM 253 N GLY A 47 -29.819 6.063 30.279 1.00 36.77 N ATOM 254 CA GLY A 47 -31.083 5.352 30.378 1.00 39.42 C ATOM 255 C GLY A 47 -32.062 5.988 31.352 1.00 45.84 C ATOM 256 O GLY A 47 -33.192 5.524 31.498 1.00 46.42 O ATOM 257 H GLY A 47 -29.709 6.810 29.564 1.00 0.00 H ATOM 258 N PHE A 48 -31.621 7.045 32.028 1.00 38.16 N ATOM 259 CA PHE A 48 -32.474 7.793 32.949 1.00 31.69 C ATOM 260 C PHE A 48 -32.657 9.202 32.422 1.00 31.17 C ATOM 261 O PHE A 48 -31.745 9.761 31.816 1.00 39.43 O ATOM 262 CB PHE A 48 -31.875 7.834 34.360 1.00 31.76 C ATOM 263 CG PHE A 48 -31.840 6.496 35.046 1.00 36.92 C ATOM 264 CD1 PHE A 48 -32.775 6.178 36.018 1.00 39.33 C ATOM 265 CD2 PHE A 48 -30.879 5.555 34.714 1.00 36.83 C ATOM 266 CE1 PHE A 48 -32.747 4.952 36.648 1.00 38.70 C ATOM 267 CE2 PHE A 48 -30.849 4.322 35.339 1.00 38.86 C ATOM 268 CZ PHE A 48 -31.787 4.020 36.307 1.00 38.57 C ATOM 269 H PHE A 48 -30.635 7.350 31.897 1.00 0.00 H ATOM 270 N PRO A 49 -33.839 9.787 32.641 1.00 33.41 N ATOM 271 CA PRO A 49 -34.050 11.174 32.225 1.00 29.08 C ATOM 272 C PRO A 49 -33.267 12.128 33.121 1.00 30.93 C ATOM 273 O PRO A 49 -32.841 11.726 34.213 1.00 29.43 O ATOM 274 CB PRO A 49 -35.556 11.362 32.403 1.00 32.70 C ATOM 275 CG PRO A 49 -35.892 10.446 33.540 1.00 32.12 C ATOM 276 CD PRO A 49 -35.008 9.240 33.350 1.00 31.77 C ATOM 277 N ASN A 50 -33.094 13.368 32.674 1.00 30.10 N ATOM 278 CA ASN A 50 -32.373 14.384 33.442 1.00 35.18 C ATOM 279 C ASN A 50 -32.982 14.674 34.802 1.00 33.27 C ATOM 280 O ASN A 50 -32.285 15.137 35.714 1.00 26.10 O ATOM 281 CB ASN A 50 -32.288 15.688 32.649 1.00 37.72 C ATOM 282 CG ASN A 50 -31.181 15.664 31.616 1.00 43.24 C ATOM 283 OD1 ASN A 50 -30.035 15.995 31.918 1.00 37.07 O ATOM 284 ND2 ASN A 50 -31.511 15.255 30.398 1.00 40.43 N ATOM 285 HD22 ASN A 50 -32.493 14.985 30.188 1.00 0.00 H ATOM 286 HD21 ASN A 50 -30.787 15.204 29.653 1.00 0.00 H ATOM 287 H ASN A 50 -33.485 13.625 31.745 1.00 0.00 H ATOM 288 N GLU A 51 -34.281 14.410 34.934 1.00 30.28 N ATOM 289 CA GLU A 51 -34.967 14.581 36.214 1.00 34.00 C ATOM 290 C GLU A 51 -34.256 13.815 37.327 1.00 28.70 C ATOM 291 O GLU A 51 -34.292 14.208 38.500 1.00 30.17 O ATOM 292 CB GLU A 51 -36.426 14.119 36.101 1.00 40.15 C ATOM 293 CG GLU A 51 -37.342 15.110 35.381 1.00 50.77 C ATOM 294 CD GLU A 51 -37.126 15.183 33.870 1.00 54.80 C ATOM 295 OE1 GLU A 51 -36.417 14.324 33.302 1.00 53.85 O ATOM 296 OE2 GLU A 51 -37.687 16.108 33.241 1.00 64.05 O ATOM 297 H GLU A 51 -34.819 14.075 34.109 1.00 0.00 H ATOM 298 N ASN A 52 -33.577 12.738 36.953 1.00 25.76 N ATOM 299 CA ASN A 52 -32.925 11.897 37.950 1.00 27.11 C ATOM 300 C ASN A 52 -31.412 12.100 38.044 1.00 23.98 C ATOM 301 O ASN A 52 -30.712 11.239 38.575 1.00 25.48 O ATOM 302 CB ASN A 52 -33.224 10.430 37.671 1.00 28.73 C ATOM 303 CG ASN A 52 -34.695 10.084 37.879 1.00 36.56 C ATOM 304 OD1 ASN A 52 -35.368 9.624 36.964 1.00 34.29 O ATOM 305 ND2 ASN A 52 -35.191 10.303 39.090 1.00 33.78 N ATOM 306 HD22 ASN A 52 -34.584 10.695 39.838 1.00 0.00 H ATOM 307 HD21 ASN A 52 -36.187 10.083 39.292 1.00 0.00 H ATOM 308 H ASN A 52 -33.510 12.493 35.945 1.00 0.00 H ATOM 309 N ASN A 53 -30.924 13.230 37.538 1.00 24.45 N ATOM 310 CA ASN A 53 -29.514 13.593 37.696 1.00 25.51 C ATOM 311 C ASN A 53 -29.154 13.717 39.182 1.00 24.97 C ATOM 312 O ASN A 53 -29.941 14.244 39.960 1.00 26.03 O ATOM 313 CB ASN A 53 -29.209 14.913 36.981 1.00 21.14 C ATOM 314 CG ASN A 53 -29.301 14.808 35.471 1.00 26.70 C ATOM 315 OD1 ASN A 53 -29.366 13.717 34.909 1.00 22.86 O ATOM 316 ND2 ASN A 53 -29.301 15.959 34.804 1.00 26.30 N ATOM 317 HD22 ASN A 53 -29.244 16.860 35.321 1.00 0.00 H ATOM 318 HD21 ASN A 53 -29.358 15.958 33.766 1.00 0.00 H ATOM 319 H ASN A 53 -31.558 13.870 37.019 1.00 0.00 H ATOM 320 N THR A 54 -27.970 13.249 39.577 1.00 24.06 N ATOM 321 CA THR A 54 -27.574 13.328 40.985 1.00 24.79 C ATOM 322 C THR A 54 -26.175 13.913 41.135 1.00 25.28 C ATOM 323 O THR A 54 -25.327 13.710 40.266 1.00 19.83 O ATOM 324 CB THR A 54 -27.596 11.956 41.666 1.00 27.16 C ATOM 325 OG1 THR A 54 -26.704 11.060 40.993 1.00 27.62 O ATOM 326 CG2 THR A 54 -29.012 11.372 41.663 1.00 25.30 C ATOM 327 HG1 THR A 54 -26.725 10.177 41.440 1.00 0.00 H ATOM 328 H THR A 54 -27.324 12.825 38.881 1.00 0.00 H ATOM 329 N TRP A 55 -25.950 14.624 42.239 1.00 21.14 N ATOM 330 CA TRP A 55 -24.604 15.068 42.610 1.00 22.08 C ATOM 331 C TRP A 55 -23.862 13.907 43.281 1.00 24.29 C ATOM 332 O TRP A 55 -24.394 13.248 44.183 1.00 27.78 O ATOM 333 CB TRP A 55 -24.647 16.286 43.542 1.00 23.72 C ATOM 334 CG TRP A 55 -25.093 17.560 42.875 1.00 24.18 C ATOM 335 CD1 TRP A 55 -26.344 18.102 42.913 1.00 25.05 C ATOM 336 CD2 TRP A 55 -24.296 18.454 42.081 1.00 23.77 C ATOM 337 NE1 TRP A 55 -26.377 19.272 42.198 1.00 23.20 N ATOM 338 CE2 TRP A 55 -25.129 19.516 41.683 1.00 22.57 C ATOM 339 CE3 TRP A 55 -22.955 18.465 41.676 1.00 21.30 C ATOM 340 CZ2 TRP A 55 -24.678 20.564 40.884 1.00 20.66 C ATOM 341 CZ3 TRP A 55 -22.506 19.516 40.902 1.00 17.55 C ATOM 342 CH2 TRP A 55 -23.360 20.548 40.508 1.00 21.26 C ATOM 343 HE1 TRP A 55 -27.213 19.877 42.067 1.00 0.00 H ATOM 344 H TRP A 55 -26.752 14.871 42.854 1.00 0.00 H ATOM 345 N GLU A 56 -22.642 13.642 42.823 1.00 20.92 N ATOM 346 CA GLU A 56 -21.853 12.551 43.367 1.00 22.39 C ATOM 347 C GLU A 56 -20.475 13.028 43.751 1.00 21.18 C ATOM 348 O GLU A 56 -19.905 13.864 43.055 1.00 20.02 O ATOM 349 CB GLU A 56 -21.731 11.416 42.356 1.00 23.35 C ATOM 350 CG GLU A 56 -23.065 10.890 41.851 1.00 22.12 C ATOM 351 CD GLU A 56 -23.855 10.143 42.913 1.00 29.75 C ATOM 352 OE1 GLU A 56 -23.269 9.783 43.951 1.00 33.32 O ATOM 353 OE2 GLU A 56 -25.066 9.901 42.703 1.00 30.20 O ATOM 354 H GLU A 56 -22.245 14.227 42.060 1.00 0.00 H ATOM 355 N PRO A 57 -19.921 12.479 44.847 1.00 24.47 N ATOM 356 CA PRO A 57 -18.540 12.802 45.213 1.00 22.14 C ATOM 357 C PRO A 57 -17.584 12.407 44.107 1.00 25.78 C ATOM 358 O PRO A 57 -17.766 11.370 43.488 1.00 25.06 O ATOM 359 CB PRO A 57 -18.288 11.963 46.476 1.00 28.03 C ATOM 360 CG PRO A 57 -19.382 10.948 46.507 1.00 32.49 C ATOM 361 CD PRO A 57 -20.556 11.578 45.823 1.00 27.74 C ATOM 362 N LEU A 58 -16.579 13.237 43.865 1.00 20.70 N ATOM 363 CA LEU A 58 -15.597 12.982 42.831 1.00 20.55 C ATOM 364 C LEU A 58 -14.948 11.621 43.066 1.00 26.54 C ATOM 365 O LEU A 58 -14.495 10.956 42.132 1.00 27.84 O ATOM 366 CB LEU A 58 -14.554 14.101 42.822 1.00 24.11 C ATOM 367 CG LEU A 58 -13.697 14.250 41.574 1.00 25.32 C ATOM 368 CD1 LEU A 58 -14.540 14.560 40.347 1.00 25.43 C ATOM 369 CD2 LEU A 58 -12.647 15.334 41.783 1.00 22.46 C ATOM 370 H LEU A 58 -16.493 14.101 44.437 1.00 0.00 H ATOM 371 N GLU A 59 -14.935 11.195 44.328 1.00 28.18 N ATOM 372 CA GLU A 59 -14.397 9.883 44.681 1.00 30.65 C ATOM 373 C GLU A 59 -15.194 8.742 44.038 1.00 31.31 C ATOM 374 O GLU A 59 -14.692 7.628 43.907 1.00 38.85 O ATOM 375 CB GLU A 59 -14.369 9.709 46.207 1.00 35.00 C ATOM 376 CG GLU A 59 -13.357 10.593 46.922 1.00 41.60 C ATOM 377 CD GLU A 59 -13.936 11.920 47.380 1.00 44.16 C ATOM 378 OE1 GLU A 59 -13.462 12.443 48.415 1.00 43.94 O ATOM 379 OE2 GLU A 59 -14.855 12.448 46.713 1.00 33.72 O ATOM 380 H GLU A 59 -15.315 11.808 45.077 1.00 0.00 H ATOM 381 N ASN A 60 -16.426 9.029 43.625 1.00 30.19 N ATOM 382 CA ASN A 60 -17.310 8.012 43.056 1.00 28.02 C ATOM 383 C ASN A 60 -17.168 7.814 41.544 1.00 27.49 C ATOM 384 O ASN A 60 -17.719 6.864 40.996 1.00 29.32 O ATOM 385 CB ASN A 60 -18.778 8.355 43.358 1.00 30.70 C ATOM 386 CG ASN A 60 -19.229 7.894 44.733 1.00 34.66 C ATOM 387 OD1 ASN A 60 -18.415 7.571 45.594 1.00 33.60 O ATOM 388 ND2 ASN A 60 -20.547 7.875 44.944 1.00 35.38 N ATOM 389 HD22 ASN A 60 -21.199 8.157 44.185 1.00 0.00 H ATOM 390 HD21 ASN A 60 -20.922 7.578 45.868 1.00 0.00 H ATOM 391 H ASN A 60 -16.771 10.006 43.709 1.00 0.00 H ATOM 392 N VAL A 61 -16.454 8.699 40.853 1.00 21.32 N ATOM 393 CA VAL A 61 -16.545 8.691 39.393 1.00 20.68 C ATOM 394 C VAL A 61 -15.245 8.280 38.676 1.00 19.82 C ATOM 395 O VAL A 61 -15.019 8.628 37.515 1.00 23.59 O ATOM 396 CB VAL A 61 -17.040 10.078 38.875 1.00 24.95 C ATOM 397 CG1 VAL A 61 -18.382 10.400 39.497 1.00 24.63 C ATOM 398 CG2 VAL A 61 -16.046 11.185 39.196 1.00 28.19 C ATOM 399 H VAL A 61 -15.843 9.384 41.342 1.00 0.00 H ATOM 400 N GLY A 62 -14.414 7.497 39.359 1.00 21.76 N ATOM 401 CA GLY A 62 -13.180 7.009 38.776 1.00 21.18 C ATOM 402 C GLY A 62 -13.335 6.212 37.489 1.00 24.22 C ATOM 403 O GLY A 62 -12.422 6.155 36.671 1.00 22.81 O ATOM 404 H GLY A 62 -14.656 7.229 40.334 1.00 0.00 H ATOM 405 N ASN A 63 -14.495 5.604 37.295 1.00 24.58 N ATOM 406 CA ASN A 63 -14.704 4.773 36.114 1.00 28.80 C ATOM 407 C ASN A 63 -15.352 5.503 34.931 1.00 32.50 C ATOM 408 O ASN A 63 -15.733 4.871 33.932 1.00 26.16 O ATOM 409 CB ASN A 63 -15.540 3.545 36.506 1.00 29.77 C ATOM 410 CG ASN A 63 -14.731 2.525 37.293 1.00 39.40 C ATOM 411 OD1 ASN A 63 -13.593 2.230 36.942 1.00 36.89 O ATOM 412 ND2 ASN A 63 -15.315 1.985 38.357 1.00 43.64 N ATOM 413 HD22 ASN A 63 -16.282 2.265 38.618 1.00 0.00 H ATOM 414 HD21 ASN A 63 -14.805 1.282 38.929 1.00 0.00 H ATOM 415 H ASN A 63 -15.262 5.719 37.988 1.00 0.00 H ATOM 416 N CYS A 64 -15.482 6.825 35.039 1.00 24.88 N ATOM 417 CA CYS A 64 -15.969 7.632 33.915 1.00 22.42 C ATOM 418 C CYS A 64 -15.125 8.901 33.730 1.00 21.54 C ATOM 419 O CYS A 64 -15.649 10.006 33.533 1.00 24.56 O ATOM 420 CB CYS A 64 -17.462 7.983 34.095 1.00 23.45 C ATOM 421 SG CYS A 64 -17.923 8.982 35.538 1.00 26.80 S ATOM 422 H CYS A 64 -15.234 7.292 35.935 1.00 0.00 H ATOM 423 N MET A 65 -13.807 8.746 33.779 1.00 26.50 N ATOM 424 CA MET A 65 -12.937 9.916 33.715 1.00 24.13 C ATOM 425 C MET A 65 -12.843 10.485 32.310 1.00 24.97 C ATOM 426 O MET A 65 -12.432 11.623 32.128 1.00 22.67 O ATOM 427 CB MET A 65 -11.538 9.577 34.249 1.00 23.51 C ATOM 428 CG MET A 65 -11.531 9.370 35.767 1.00 22.49 C ATOM 429 SD MET A 65 -12.283 10.716 36.695 1.00 38.19 S ATOM 430 CE MET A 65 -11.126 12.028 36.350 1.00 33.04 C ATOM 431 H MET A 65 -13.396 7.794 33.863 1.00 0.00 H ATOM 432 N LYS A 66 -13.219 9.710 31.303 1.00 24.00 N ATOM 433 CA LYS A 66 -13.293 10.295 29.987 1.00 25.44 C ATOM 434 C LYS A 66 -14.407 11.353 29.970 1.00 19.54 C ATOM 435 O LYS A 66 -14.232 12.426 29.402 1.00 22.21 O ATOM 436 CB LYS A 66 -13.538 9.242 28.919 1.00 32.01 C ATOM 437 CG LYS A 66 -13.439 9.817 27.527 1.00 45.86 C ATOM 438 CD LYS A 66 -13.524 8.732 26.470 1.00 55.19 C ATOM 439 CE LYS A 66 -14.970 8.447 26.158 1.00 59.86 C ATOM 440 NZ LYS A 66 -15.158 7.997 24.752 1.00 62.44 N ATOM 441 HZ1 LYS A 66 -14.825 8.740 24.104 1.00 0.00 H ATOM 442 HZ2 LYS A 66 -14.613 7.126 24.592 1.00 0.00 H ATOM 443 HZ3 LYS A 66 -16.167 7.812 24.580 1.00 0.00 H ATOM 444 H LYS A 66 -13.454 8.709 31.457 1.00 0.00 H ATOM 445 N LEU A 67 -15.545 11.046 30.582 1.00 19.91 N ATOM 446 CA LEU A 67 -16.647 12.020 30.639 1.00 18.43 C ATOM 447 C LEU A 67 -16.312 13.180 31.575 1.00 19.23 C ATOM 448 O LEU A 67 -16.726 14.325 31.367 1.00 16.98 O ATOM 449 CB LEU A 67 -17.931 11.340 31.094 1.00 19.43 C ATOM 450 CG LEU A 67 -18.388 10.253 30.110 1.00 26.45 C ATOM 451 CD1 LEU A 67 -19.690 9.609 30.569 1.00 24.50 C ATOM 452 CD2 LEU A 67 -18.518 10.821 28.708 1.00 22.68 C ATOM 453 H LEU A 67 -15.658 10.111 31.024 1.00 0.00 H ATOM 454 N VAL A 68 -15.559 12.884 32.621 1.00 18.88 N ATOM 455 CA VAL A 68 -15.155 13.957 33.527 1.00 17.77 C ATOM 456 C VAL A 68 -14.171 14.889 32.819 1.00 19.68 C ATOM 457 O VAL A 68 -14.277 16.110 32.917 1.00 21.23 O ATOM 458 CB VAL A 68 -14.533 13.399 34.814 1.00 22.55 C ATOM 459 CG1 VAL A 68 -13.877 14.519 35.610 1.00 22.79 C ATOM 460 CG2 VAL A 68 -15.611 12.702 35.645 1.00 23.92 C ATOM 461 H VAL A 68 -15.259 11.904 32.796 1.00 0.00 H ATOM 462 N SER A 69 -13.232 14.311 32.077 1.00 18.96 N ATOM 463 CA SER A 69 -12.309 15.117 31.286 1.00 19.51 C ATOM 464 C SER A 69 -13.038 15.967 30.250 1.00 22.15 C ATOM 465 O SER A 69 -12.669 17.124 30.027 1.00 21.36 O ATOM 466 CB SER A 69 -11.272 14.223 30.591 1.00 26.56 C ATOM 467 OG SER A 69 -10.466 13.580 31.566 1.00 33.12 O ATOM 468 HG SER A 69 -11.039 13.025 32.152 1.00 0.00 H ATOM 469 H SER A 69 -13.155 13.274 32.060 1.00 0.00 H ATOM 470 N ASP A 70 -14.064 15.402 29.622 1.00 22.67 N ATOM 471 CA ASP A 70 -14.878 16.168 28.668 1.00 22.05 C ATOM 472 C ASP A 70 -15.500 17.375 29.343 1.00 25.67 C ATOM 473 O ASP A 70 -15.512 18.465 28.791 1.00 21.79 O ATOM 474 CB ASP A 70 -16.000 15.316 28.064 1.00 24.53 C ATOM 475 CG ASP A 70 -15.491 14.270 27.104 1.00 28.80 C ATOM 476 OD1 ASP A 70 -14.305 14.342 26.713 1.00 27.51 O ATOM 477 OD2 ASP A 70 -16.289 13.366 26.761 1.00 26.88 O ATOM 478 H ASP A 70 -14.294 14.405 29.808 1.00 0.00 H ATOM 479 N PHE A 71 -16.013 17.174 30.551 1.00 19.02 N ATOM 480 CA PHE A 71 -16.645 18.267 31.290 1.00 21.37 C ATOM 481 C PHE A 71 -15.621 19.345 31.667 1.00 20.90 C ATOM 482 O PHE A 71 -15.850 20.533 31.455 1.00 23.22 O ATOM 483 CB PHE A 71 -17.337 17.738 32.551 1.00 19.26 C ATOM 484 CG PHE A 71 -17.788 18.817 33.474 1.00 22.83 C ATOM 485 CD1 PHE A 71 -18.945 19.521 33.212 1.00 25.77 C ATOM 486 CD2 PHE A 71 -17.038 19.146 34.598 1.00 27.13 C ATOM 487 CE1 PHE A 71 -19.360 20.543 34.064 1.00 26.89 C ATOM 488 CE2 PHE A 71 -17.443 20.164 35.442 1.00 31.72 C ATOM 489 CZ PHE A 71 -18.601 20.861 35.172 1.00 25.78 C ATOM 490 H PHE A 71 -15.965 16.227 30.978 1.00 0.00 H ATOM 491 N GLU A 72 -14.489 18.913 32.220 1.00 18.02 N ATOM 492 CA GLU A 72 -13.403 19.831 32.569 1.00 23.66 C ATOM 493 C GLU A 72 -12.956 20.660 31.361 1.00 28.41 C ATOM 494 O GLU A 72 -12.699 21.858 31.485 1.00 23.93 O ATOM 495 CB GLU A 72 -12.219 19.053 33.159 1.00 21.99 C ATOM 496 CG GLU A 72 -12.507 18.452 34.530 1.00 32.88 C ATOM 497 CD GLU A 72 -12.357 19.474 35.651 1.00 47.78 C ATOM 498 OE1 GLU A 72 -11.615 20.461 35.454 1.00 48.09 O ATOM 499 OE2 GLU A 72 -12.971 19.291 36.725 1.00 44.74 O ATOM 500 H GLU A 72 -14.373 17.897 32.409 1.00 0.00 H ATOM 501 N SER A 73 -12.913 20.031 30.190 1.00 21.26 N ATOM 502 CA SER A 73 -12.491 20.718 28.977 1.00 24.00 C ATOM 503 C SER A 73 -13.479 21.822 28.633 1.00 26.77 C ATOM 504 O SER A 73 -13.085 22.911 28.228 1.00 28.10 O ATOM 505 CB SER A 73 -12.359 19.738 27.811 1.00 24.24 C ATOM 506 OG SER A 73 -11.262 18.860 28.021 1.00 31.13 O ATOM 507 HG SER A 73 -10.428 19.388 28.094 1.00 0.00 H ATOM 508 H SER A 73 -13.186 19.029 30.139 1.00 0.00 H ATOM 509 N GLU A 74 -14.763 21.538 28.824 1.00 24.79 N ATOM 510 CA GLU A 74 -15.793 22.514 28.511 1.00 27.41 C ATOM 511 C GLU A 74 -15.751 23.692 29.484 1.00 28.05 C ATOM 512 O GLU A 74 -15.881 24.837 29.064 1.00 33.27 O ATOM 513 CB GLU A 74 -17.175 21.860 28.515 1.00 36.46 C ATOM 514 CG GLU A 74 -18.272 22.764 27.968 1.00 49.72 C ATOM 515 CD GLU A 74 -17.998 23.230 26.545 1.00 62.45 C ATOM 516 OE1 GLU A 74 -17.512 22.417 25.726 1.00 66.12 O ATOM 517 OE2 GLU A 74 -18.262 24.415 26.249 1.00 66.93 O ATOM 518 H GLU A 74 -15.034 20.607 29.201 1.00 0.00 H ATOM 519 N VAL A 75 -15.551 23.417 30.770 1.00 26.33 N ATOM 520 CA VAL A 75 -15.443 24.478 31.773 1.00 28.94 C ATOM 521 C VAL A 75 -14.292 25.417 31.424 1.00 33.05 C ATOM 522 O VAL A 75 -14.448 26.640 31.445 1.00 34.82 O ATOM 523 CB VAL A 75 -15.227 23.918 33.200 1.00 33.06 C ATOM 524 CG1 VAL A 75 -14.934 25.050 34.196 1.00 33.73 C ATOM 525 CG2 VAL A 75 -16.448 23.122 33.653 1.00 37.77 C ATOM 526 H VAL A 75 -15.469 22.425 31.070 1.00 0.00 H ATOM 527 N PHE A 76 -13.144 24.839 31.079 1.00 28.93 N ATOM 528 CA PHE A 76 -11.971 25.642 30.754 1.00 29.67 C ATOM 529 C PHE A 76 -12.281 26.538 29.564 1.00 32.19 C ATOM 530 O PHE A 76 -11.890 27.708 29.531 1.00 34.89 O ATOM 531 CB PHE A 76 -10.758 24.753 30.459 1.00 28.52 C ATOM 532 CG PHE A 76 -9.481 25.526 30.269 1.00 29.09 C ATOM 533 CD1 PHE A 76 -8.943 26.259 31.319 1.00 29.38 C ATOM 534 CD2 PHE A 76 -8.830 25.528 29.044 1.00 31.07 C ATOM 535 CE1 PHE A 76 -7.767 26.977 31.150 1.00 31.24 C ATOM 536 CE2 PHE A 76 -7.658 26.239 28.873 1.00 31.28 C ATOM 537 CZ PHE A 76 -7.133 26.964 29.920 1.00 27.53 C ATOM 538 H PHE A 76 -13.083 23.802 31.041 1.00 0.00 H ATOM 539 N ARG A 77 -13.007 25.988 28.598 1.00 31.77 N ATOM 540 CA ARG A 77 -13.358 26.733 27.397 1.00 37.51 C ATOM 541 C ARG A 77 -14.212 27.943 27.756 1.00 39.34 C ATOM 542 O ARG A 77 -14.034 29.024 27.202 1.00 41.27 O ATOM 543 CB ARG A 77 -14.087 25.834 26.397 1.00 38.22 C ATOM 544 CG ARG A 77 -14.558 26.555 25.143 1.00 47.18 C ATOM 545 CD ARG A 77 -15.304 25.613 24.215 1.00 52.85 C ATOM 546 NE ARG A 77 -16.741 25.883 24.200 1.00 62.50 N ATOM 547 CZ ARG A 77 -17.359 26.608 23.272 1.00 70.30 C ATOM 548 NH1 ARG A 77 -16.671 27.139 22.269 1.00 75.21 N ATOM 549 NH2 ARG A 77 -18.668 26.799 23.342 1.00 74.11 N ATOM 550 HE ARG A 77 -17.318 25.481 24.966 1.00 0.00 H ATOM 551 HH12 ARG A 77 -17.159 27.705 21.546 1.00 0.00 H ATOM 552 HH11 ARG A 77 -15.644 26.989 22.206 1.00 0.00 H ATOM 553 HH22 ARG A 77 -19.150 27.366 22.616 1.00 0.00 H ATOM 554 HH21 ARG A 77 -19.213 26.382 24.123 1.00 0.00 H ATOM 555 H ARG A 77 -13.332 25.005 28.701 1.00 0.00 H ATOM 556 N LEU A 78 -15.116 27.764 28.711 1.00 38.58 N ATOM 557 CA LEU A 78 -15.991 28.852 29.127 1.00 39.85 C ATOM 558 C LEU A 78 -15.239 29.855 30.000 1.00 43.35 C ATOM 559 O LEU A 78 -15.495 31.060 29.925 1.00 40.95 O ATOM 560 CB LEU A 78 -17.216 28.312 29.865 1.00 48.16 C ATOM 561 CG LEU A 78 -18.439 29.225 29.741 1.00 57.22 C ATOM 562 CD1 LEU A 78 -19.267 28.824 28.530 1.00 58.49 C ATOM 563 CD2 LEU A 78 -19.275 29.211 31.012 1.00 62.91 C ATOM 564 H LEU A 78 -15.201 26.834 29.169 1.00 0.00 H ATOM 565 N HIS A 79 -14.308 29.371 30.822 1.00 38.74 N ATOM 566 CA HIS A 79 -13.480 30.278 31.612 1.00 41.88 C ATOM 567 C HIS A 79 -12.639 31.169 30.707 1.00 41.52 C ATOM 568 O HIS A 79 -12.458 32.355 30.988 1.00 42.01 O ATOM 569 CB HIS A 79 -12.577 29.513 32.579 1.00 51.90 C ATOM 570 CG HIS A 79 -13.260 29.110 33.849 1.00 64.44 C ATOM 571 ND1 HIS A 79 -12.791 28.103 34.662 1.00 66.98 N ATOM 572 CD2 HIS A 79 -14.379 29.588 34.447 1.00 67.95 C ATOM 573 CE1 HIS A 79 -13.592 27.973 35.707 1.00 65.37 C ATOM 574 NE2 HIS A 79 -14.562 28.861 35.599 1.00 66.06 N ATOM 575 H HIS A 79 -14.171 28.343 30.901 1.00 0.00 H ATOM 576 N ARG A 80 -12.132 30.594 29.621 1.00 39.27 N ATOM 577 CA ARG A 80 -11.367 31.364 28.650 1.00 41.08 C ATOM 578 C ARG A 80 -12.245 32.419 27.987 1.00 43.91 C ATOM 579 O ARG A 80 -11.763 33.498 27.636 1.00 45.02 O ATOM 580 CB ARG A 80 -10.747 30.449 27.594 1.00 41.95 C ATOM 581 CG ARG A 80 -9.662 29.532 28.138 1.00 39.28 C ATOM 582 CD ARG A 80 -8.449 30.320 28.614 1.00 47.15 C ATOM 583 NE ARG A 80 -7.549 30.676 27.521 1.00 53.92 N ATOM 584 CZ ARG A 80 -6.431 31.388 27.673 1.00 61.25 C ATOM 585 NH1 ARG A 80 -6.073 31.829 28.874 1.00 64.58 N ATOM 586 NH2 ARG A 80 -5.669 31.659 26.619 1.00 53.63 N ATOM 587 HE ARG A 80 -7.795 30.354 26.563 1.00 0.00 H ATOM 588 HH12 ARG A 80 -5.200 32.383 28.985 1.00 0.00 H ATOM 589 HH11 ARG A 80 -6.666 31.620 29.703 1.00 0.00 H ATOM 590 HH22 ARG A 80 -4.797 32.214 26.736 1.00 0.00 H ATOM 591 HH21 ARG A 80 -5.944 31.316 25.676 1.00 0.00 H ATOM 592 H ARG A 80 -12.284 29.578 29.462 1.00 0.00 H ATOM 593 N LYS A 81 -13.532 32.120 27.827 1.00 42.94 N ATOM 594 CA LYS A 81 -14.439 33.080 27.203 1.00 45.55 C ATOM 595 C LYS A 81 -14.725 34.235 28.143 1.00 44.84 C ATOM 596 O LYS A 81 -14.743 35.392 27.725 1.00 47.33 O ATOM 597 CB LYS A 81 -15.754 32.419 26.773 1.00 47.61 C ATOM 598 CG LYS A 81 -16.817 33.431 26.360 1.00 57.37 C ATOM 599 CD LYS A 81 -17.877 32.825 25.453 1.00 64.72 C ATOM 600 CE LYS A 81 -18.586 31.656 26.104 1.00 69.28 C ATOM 601 NZ LYS A 81 -19.381 30.893 25.102 1.00 66.70 N ATOM 602 HZ1 LYS A 81 -20.092 31.520 24.675 1.00 0.00 H ATOM 603 HZ2 LYS A 81 -18.747 30.530 24.362 1.00 0.00 H ATOM 604 HZ3 LYS A 81 -19.857 30.097 25.572 1.00 0.00 H ATOM 605 H LYS A 81 -13.893 31.199 28.148 1.00 0.00 H ATOM 606 N ALA A 82 -14.949 33.913 29.414 1.00 43.56 N ATOM 607 CA ALA A 82 -15.181 34.930 30.430 1.00 47.54 C ATOM 608 C ALA A 82 -13.968 35.844 30.539 1.00 50.09 C ATOM 609 O ALA A 82 -14.101 37.039 30.806 1.00 51.78 O ATOM 610 CB ALA A 82 -15.488 34.285 31.768 1.00 51.52 C ATOM 611 H ALA A 82 -14.959 32.910 29.689 1.00 0.00 H ATOM 612 N ALA A 83 -12.787 35.272 30.323 1.00 45.39 N ATOM 613 CA ALA A 83 -11.545 36.033 30.348 1.00 47.74 C ATOM 614 C ALA A 83 -11.492 36.990 29.168 1.00 50.08 C ATOM 615 O ALA A 83 -11.197 38.177 29.331 1.00 50.47 O ATOM 616 CB ALA A 83 -10.341 35.097 30.332 1.00 49.33 C ATOM 617 H ALA A 83 -12.749 34.251 30.130 1.00 0.00 H ATOM 618 N ALA A 84 -11.790 36.462 27.984 1.00 47.58 N ATOM 619 CA ALA A 84 -11.773 37.248 26.756 1.00 55.43 C ATOM 620 C ALA A 84 -12.700 38.459 26.846 1.00 53.19 C ATOM 621 O ALA A 84 -12.327 39.566 26.451 1.00 53.99 O ATOM 622 CB ALA A 84 -12.157 36.379 25.572 1.00 59.38 C ATOM 623 H ALA A 84 -12.044 35.455 27.932 1.00 0.00 H ATOM 624 N LYS A 85 -13.898 38.248 27.382 1.00 54.83 N ATOM 625 CA LYS A 85 -14.896 39.311 27.445 1.00 59.28 C ATOM 626 C LYS A 85 -14.530 40.364 28.488 1.00 54.75 C ATOM 627 O LYS A 85 -14.984 41.506 28.406 1.00 53.44 O ATOM 628 CB LYS A 85 -16.287 38.739 27.743 1.00 64.70 C ATOM 629 CG LYS A 85 -17.363 39.179 26.750 1.00 71.26 C ATOM 630 CD LYS A 85 -18.722 39.357 27.424 1.00 69.89 C ATOM 631 CE LYS A 85 -19.837 39.536 26.397 1.00 69.70 C ATOM 632 NZ LYS A 85 -20.294 38.229 25.837 1.00 74.18 N ATOM 633 HZ1 LYS A 85 -19.495 37.754 25.371 1.00 0.00 H ATOM 634 HZ2 LYS A 85 -20.653 37.630 26.607 1.00 0.00 H ATOM 635 HZ3 LYS A 85 -21.051 38.396 25.144 1.00 0.00 H ATOM 636 H LYS A 85 -14.128 37.308 27.763 1.00 0.00 H ATOM 637 N SER A 86 -13.715 39.985 29.470 1.00 55.25 N ATOM 638 CA SER A 86 -13.281 40.940 30.485 1.00 53.29 C ATOM 639 C SER A 86 -12.280 41.930 29.892 1.00 54.50 C ATOM 640 O SER A 86 -12.106 43.034 30.410 1.00 54.88 O ATOM 641 CB SER A 86 -12.661 40.225 31.688 1.00 57.11 C ATOM 642 OG SER A 86 -11.384 39.696 31.371 1.00 57.89 O ATOM 643 HG SER A 86 -11.472 39.047 30.629 1.00 0.00 H ATOM 644 H SER A 86 -13.385 39.000 29.514 1.00 0.00 H TER 645 SER A 86 ATOM 646 N GLU D 23 0.899 0.361 35.723 1.00 60.71 N ATOM 647 CA GLU D 23 0.192 1.164 36.722 1.00 69.43 C ATOM 648 C GLU D 23 0.923 1.216 38.066 1.00 65.52 C ATOM 649 O GLU D 23 1.305 0.180 38.623 1.00 67.28 O ATOM 650 CB GLU D 23 -1.224 0.632 36.912 1.00 71.01 C ATOM 651 CG GLU D 23 -1.915 1.227 38.128 1.00 73.50 C ATOM 652 CD GLU D 23 -3.394 0.995 38.178 1.00 86.96 C ATOM 653 OE1 GLU D 23 -3.808 -0.047 38.733 1.00 87.10 O ATOM 654 OE2 GLU D 23 -4.175 1.909 37.745 1.00 63.78 O ATOM 655 HN3 GLU D 23 0.997 -0.614 36.070 1.00 0.00 H ATOM 656 HN2 GLU D 23 1.842 0.768 35.557 1.00 0.00 H ATOM 657 HN1 GLU D 23 0.359 0.361 34.834 1.00 0.00 H ATOM 658 N TYR D 24 1.101 2.426 38.591 1.00 48.42 N ATOM 659 CA TYR D 24 1.909 2.644 39.786 1.00 38.68 C ATOM 660 C TYR D 24 1.107 3.273 40.914 1.00 36.48 C ATOM 661 O TYR D 24 0.118 3.969 40.670 1.00 35.61 O ATOM 662 CB TYR D 24 3.091 3.544 39.452 1.00 36.63 C ATOM 663 CG TYR D 24 4.120 2.935 38.529 1.00 39.85 C ATOM 664 CD1 TYR D 24 3.868 2.793 37.172 1.00 40.31 C ATOM 665 CD2 TYR D 24 5.366 2.548 39.010 1.00 46.04 C ATOM 666 CE1 TYR D 24 4.812 2.253 36.323 1.00 49.46 C ATOM 667 CE2 TYR D 24 6.323 2.004 38.166 1.00 48.91 C ATOM 668 CZ TYR D 24 6.041 1.861 36.825 1.00 53.87 C ATOM 669 OH TYR D 24 6.983 1.326 35.974 1.00 59.71 O ATOM 670 HH TYR D 24 6.617 1.297 35.055 1.00 0.00 H ATOM 671 H TYR D 24 0.649 3.244 38.134 1.00 0.00 H ATOM 672 N VAL D 25 1.546 3.059 42.151 1.00 27.56 N ATOM 673 CA VAL D 25 0.901 3.689 43.288 1.00 35.15 C ATOM 674 C VAL D 25 1.196 5.187 43.285 1.00 33.13 C ATOM 675 O VAL D 25 2.332 5.611 43.067 1.00 25.47 O ATOM 676 CB VAL D 25 1.362 3.063 44.629 1.00 30.32 C ATOM 677 CG1 VAL D 25 0.707 3.773 45.804 1.00 33.64 C ATOM 678 CG2 VAL D 25 1.032 1.589 44.658 1.00 31.08 C ATOM 679 H VAL D 25 2.362 2.432 42.305 1.00 0.00 H ATOM 680 N VAL D 26 0.161 5.984 43.517 1.00 30.32 N ATOM 681 CA VAL D 26 0.295 7.432 43.516 1.00 23.97 C ATOM 682 C VAL D 26 0.331 7.953 44.947 1.00 25.02 C ATOM 683 O VAL D 26 -0.458 7.510 45.779 1.00 30.82 O ATOM 684 CB VAL D 26 -0.880 8.085 42.736 1.00 22.95 C ATOM 685 CG1 VAL D 26 -0.856 9.596 42.869 1.00 25.45 C ATOM 686 CG2 VAL D 26 -0.832 7.656 41.285 1.00 21.52 C ATOM 687 H VAL D 26 -0.771 5.562 43.705 1.00 0.00 H ATOM 688 N GLU D 27 1.248 8.876 45.239 1.00 24.39 N ATOM 689 CA GLU D 27 1.340 9.434 46.589 1.00 27.31 C ATOM 690 C GLU D 27 0.506 10.693 46.730 1.00 25.62 C ATOM 691 O GLU D 27 -0.134 10.918 47.754 1.00 23.98 O ATOM 692 CB GLU D 27 2.794 9.749 46.966 1.00 24.80 C ATOM 693 CG GLU D 27 2.940 10.578 48.249 1.00 31.39 C ATOM 694 CD GLU D 27 4.397 10.916 48.568 1.00 45.04 C ATOM 695 OE1 GLU D 27 5.293 10.246 48.013 1.00 40.69 O ATOM 696 OE2 GLU D 27 4.640 11.844 49.370 1.00 54.32 O ATOM 697 H GLU D 27 1.904 9.202 44.501 1.00 0.00 H ATOM 698 N LYS D 28 0.517 11.521 45.693 1.00 23.68 N ATOM 699 CA LYS D 28 -0.120 12.825 45.770 1.00 23.56 C ATOM 700 C LYS D 28 -0.339 13.386 44.374 1.00 24.35 C ATOM 701 O LYS D 28 0.363 13.023 43.434 1.00 26.14 O ATOM 702 CB LYS D 28 0.742 13.798 46.580 1.00 24.57 C ATOM 703 CG LYS D 28 -0.009 14.934 47.229 1.00 36.17 C ATOM 704 CD LYS D 28 0.918 15.734 48.152 1.00 45.33 C ATOM 705 CE LYS D 28 0.157 16.812 48.900 1.00 46.82 C ATOM 706 NZ LYS D 28 1.014 17.424 49.964 1.00 50.49 N ATOM 707 HZ1 LYS D 28 1.305 16.688 50.639 1.00 0.00 H ATOM 708 HZ2 LYS D 28 1.857 17.849 49.527 1.00 0.00 H ATOM 709 HZ3 LYS D 28 0.473 18.159 50.463 1.00 0.00 H ATOM 710 H LYS D 28 0.988 11.232 44.812 1.00 0.00 H ATOM 711 N ILE D 29 -1.316 14.277 44.259 1.00 18.58 N ATOM 712 CA ILE D 29 -1.520 15.057 43.037 1.00 16.56 C ATOM 713 C ILE D 29 -1.073 16.476 43.328 1.00 22.05 C ATOM 714 O ILE D 29 -1.483 17.046 44.340 1.00 21.34 O ATOM 715 CB ILE D 29 -2.996 15.037 42.591 1.00 20.30 C ATOM 716 CG1 ILE D 29 -3.424 13.610 42.230 1.00 23.81 C ATOM 717 CG2 ILE D 29 -3.206 16.006 41.416 1.00 19.46 C ATOM 718 CD1 ILE D 29 -2.600 12.973 41.087 1.00 21.66 C ATOM 719 H ILE D 29 -1.958 14.426 45.064 1.00 0.00 H ATOM 720 N LEU D 30 -0.239 17.052 42.460 1.00 17.49 N ATOM 721 CA LEU D 30 0.425 18.325 42.771 1.00 20.64 C ATOM 722 C LEU D 30 0.088 19.518 41.878 1.00 24.86 C ATOM 723 O LEU D 30 0.520 20.636 42.147 1.00 25.54 O ATOM 724 CB LEU D 30 1.941 18.126 42.729 1.00 26.36 C ATOM 725 CG LEU D 30 2.500 17.119 43.720 1.00 28.00 C ATOM 726 CD1 LEU D 30 3.993 16.875 43.441 1.00 29.77 C ATOM 727 CD2 LEU D 30 2.264 17.595 45.145 1.00 35.98 C ATOM 728 H LEU D 30 -0.056 16.591 41.546 1.00 0.00 H ATOM 729 N GLY D 31 -0.664 19.293 40.811 1.00 21.74 N ATOM 730 CA GLY D 31 -0.903 20.361 39.860 1.00 22.61 C ATOM 731 C GLY D 31 -1.920 19.940 38.830 1.00 19.16 C ATOM 732 O GLY D 31 -2.249 18.756 38.718 1.00 17.95 O ATOM 733 H GLY D 31 -1.082 18.353 40.656 1.00 0.00 H ATOM 734 N LYS D 32 -2.428 20.915 38.088 1.00 18.97 N ATOM 735 CA LYS D 32 -3.388 20.646 37.034 1.00 20.34 C ATOM 736 C LYS D 32 -3.141 21.623 35.893 1.00 21.05 C ATOM 737 O LYS D 32 -2.771 22.769 36.116 1.00 25.97 O ATOM 738 CB LYS D 32 -4.818 20.775 37.561 1.00 23.39 C ATOM 739 CG LYS D 32 -5.916 20.535 36.546 1.00 22.82 C ATOM 740 CD LYS D 32 -7.269 20.556 37.285 1.00 35.66 C ATOM 741 CE LYS D 32 -8.464 20.571 36.346 1.00 39.03 C ATOM 742 NZ LYS D 32 -9.738 20.852 37.099 1.00 35.27 N ATOM 743 HZ1 LYS D 32 -9.886 20.113 37.816 1.00 0.00 H ATOM 744 HZ2 LYS D 32 -9.667 21.779 37.564 1.00 0.00 H ATOM 745 HZ3 LYS D 32 -10.538 20.857 36.435 1.00 0.00 H ATOM 746 H LYS D 32 -2.131 21.896 38.266 1.00 0.00 H ATOM 747 N ARG D 33 -3.306 21.151 34.669 1.00 19.61 N ATOM 748 CA ARG D 33 -3.111 22.019 33.524 1.00 16.57 C ATOM 749 C ARG D 33 -3.952 21.508 32.380 1.00 20.94 C ATOM 750 O ARG D 33 -4.478 20.405 32.434 1.00 20.78 O ATOM 751 CB ARG D 33 -1.631 22.069 33.113 1.00 13.62 C ATOM 752 CG ARG D 33 -1.147 20.787 32.430 1.00 18.29 C ATOM 753 CD ARG D 33 0.363 20.818 32.123 1.00 17.71 C ATOM 754 NE ARG D 33 0.771 19.672 31.309 1.00 20.85 N ATOM 755 CZ ARG D 33 1.992 19.509 30.802 1.00 18.30 C ATOM 756 NH1 ARG D 33 2.931 20.420 31.014 1.00 21.69 N ATOM 757 NH2 ARG D 33 2.272 18.425 30.091 1.00 23.46 N ATOM 758 HE ARG D 33 0.061 18.937 31.114 1.00 0.00 H ATOM 759 HH12 ARG D 33 3.883 20.288 30.616 1.00 0.00 H ATOM 760 HH11 ARG D 33 2.716 21.267 31.578 1.00 0.00 H ATOM 761 HH22 ARG D 33 3.224 18.295 29.694 1.00 0.00 H ATOM 762 HH21 ARG D 33 1.539 17.705 29.930 1.00 0.00 H ATOM 763 H ARG D 33 -3.576 20.157 34.527 1.00 0.00 H ATOM 764 N PHE D 34 -4.079 22.319 31.338 1.00 18.18 N ATOM 765 CA PHE D 34 -4.704 21.854 30.112 1.00 19.84 C ATOM 766 C PHE D 34 -3.703 21.834 28.982 1.00 17.48 C ATOM 767 O PHE D 34 -2.928 22.774 28.827 1.00 20.90 O ATOM 768 CB PHE D 34 -5.881 22.746 29.761 1.00 20.01 C ATOM 769 CG PHE D 34 -7.020 22.584 30.705 1.00 20.11 C ATOM 770 CD1 PHE D 34 -8.033 21.686 30.428 1.00 21.27 C ATOM 771 CD2 PHE D 34 -7.037 23.271 31.909 1.00 24.81 C ATOM 772 CE1 PHE D 34 -9.070 21.509 31.318 1.00 22.82 C ATOM 773 CE2 PHE D 34 -8.070 23.094 32.807 1.00 30.23 C ATOM 774 CZ PHE D 34 -9.092 22.212 32.505 1.00 26.73 C ATOM 775 H PHE D 34 -3.728 23.296 31.399 1.00 0.00 H ATOM 776 N VAL D 35 -3.738 20.768 28.202 1.00 20.34 N ATOM 777 CA VAL D 35 -2.876 20.650 27.035 1.00 22.22 C ATOM 778 C VAL D 35 -3.760 20.423 25.826 1.00 21.61 C ATOM 779 O VAL D 35 -4.499 19.426 25.747 1.00 21.26 O ATOM 780 CB VAL D 35 -1.864 19.509 27.177 1.00 21.90 C ATOM 781 CG1 VAL D 35 -1.094 19.315 25.870 1.00 26.56 C ATOM 782 CG2 VAL D 35 -0.903 19.795 28.351 1.00 19.18 C ATOM 783 H VAL D 35 -4.397 19.995 28.427 1.00 0.00 H ATOM 784 N ASN D 36 -3.700 21.370 24.896 1.00 22.64 N ATOM 785 CA ASN D 36 -4.612 21.365 23.750 1.00 20.54 C ATOM 786 C ASN D 36 -6.073 21.250 24.181 1.00 23.11 C ATOM 787 O ASN D 36 -6.880 20.582 23.528 1.00 25.45 O ATOM 788 CB ASN D 36 -4.234 20.237 22.791 1.00 23.08 C ATOM 789 CG ASN D 36 -2.839 20.417 22.225 1.00 28.46 C ATOM 790 OD1 ASN D 36 -2.348 21.544 22.134 1.00 26.09 O ATOM 791 ND2 ASN D 36 -2.201 19.320 21.832 1.00 26.43 N ATOM 792 HD22 ASN D 36 -2.657 18.390 21.929 1.00 0.00 H ATOM 793 HD21 ASN D 36 -1.246 19.391 21.427 1.00 0.00 H ATOM 794 H ASN D 36 -2.993 22.128 24.983 1.00 0.00 H ATOM 795 N GLY D 37 -6.396 21.898 25.293 1.00 23.61 N ATOM 796 CA GLY D 37 -7.757 21.951 25.793 1.00 23.89 C ATOM 797 C GLY D 37 -8.163 20.771 26.666 1.00 22.03 C ATOM 798 O GLY D 37 -9.290 20.735 27.144 1.00 22.88 O ATOM 799 H GLY D 37 -5.647 22.385 25.825 1.00 0.00 H ATOM 800 N ARG D 38 -7.259 19.815 26.880 1.00 21.96 N ATOM 801 CA ARG D 38 -7.599 18.605 27.655 1.00 23.48 C ATOM 802 C ARG D 38 -6.865 18.574 28.993 1.00 23.43 C ATOM 803 O ARG D 38 -5.670 18.901 29.052 1.00 19.39 O ATOM 804 CB ARG D 38 -7.268 17.343 26.863 1.00 21.55 C ATOM 805 CG ARG D 38 -7.953 17.247 25.506 1.00 26.88 C ATOM 806 CD ARG D 38 -9.462 17.179 25.661 1.00 41.77 C ATOM 807 NE ARG D 38 -9.887 15.954 26.337 1.00 50.90 N ATOM 808 CZ ARG D 38 -11.157 15.578 26.472 1.00 53.19 C ATOM 809 NH1 ARG D 38 -12.135 16.322 25.967 1.00 50.52 N ATOM 810 NH2 ARG D 38 -11.451 14.450 27.104 1.00 53.48 N ATOM 811 HE ARG D 38 -9.151 15.338 26.737 1.00 0.00 H ATOM 812 HH12 ARG D 38 -13.125 16.023 26.076 1.00 0.00 H ATOM 813 HH11 ARG D 38 -11.910 17.204 25.463 1.00 0.00 H ATOM 814 HH22 ARG D 38 -12.443 14.156 27.209 1.00 0.00 H ATOM 815 HH21 ARG D 38 -10.689 13.859 27.494 1.00 0.00 H ATOM 816 H ARG D 38 -6.299 19.923 26.495 1.00 0.00 H ATOM 817 N PRO D 39 -7.574 18.180 30.068 1.00 22.57 N ATOM 818 CA PRO D 39 -6.982 18.281 31.406 1.00 17.79 C ATOM 819 C PRO D 39 -5.920 17.218 31.703 1.00 17.62 C ATOM 820 O PRO D 39 -6.060 16.052 31.323 1.00 21.07 O ATOM 821 CB PRO D 39 -8.190 18.113 32.342 1.00 18.38 C ATOM 822 CG PRO D 39 -9.118 17.173 31.563 1.00 20.42 C ATOM 823 CD PRO D 39 -8.940 17.611 30.094 1.00 20.51 C ATOM 824 N GLN D 40 -4.871 17.639 32.401 1.00 17.99 N ATOM 825 CA GLN D 40 -3.841 16.736 32.911 1.00 16.30 C ATOM 826 C GLN D 40 -3.546 17.066 34.365 1.00 21.22 C ATOM 827 O GLN D 40 -3.794 18.172 34.818 1.00 18.96 O ATOM 828 CB GLN D 40 -2.550 16.840 32.092 1.00 20.72 C ATOM 829 CG GLN D 40 -2.701 16.538 30.581 1.00 21.99 C ATOM 830 CD GLN D 40 -1.372 16.656 29.848 1.00 19.16 C ATOM 831 OE1 GLN D 40 -0.418 17.179 30.392 1.00 20.75 O ATOM 832 NE2 GLN D 40 -1.321 16.187 28.601 1.00 25.51 N ATOM 833 HE22 GLN D 40 -2.162 15.747 28.176 1.00 0.00 H ATOM 834 HE21 GLN D 40 -0.440 16.261 28.053 1.00 0.00 H ATOM 835 H GLN D 40 -4.778 18.657 32.593 1.00 0.00 H ATOM 836 N VAL D 41 -2.986 16.112 35.096 1.00 22.39 N ATOM 837 CA VAL D 41 -2.594 16.379 36.478 1.00 13.37 C ATOM 838 C VAL D 41 -1.148 15.940 36.708 1.00 18.03 C ATOM 839 O VAL D 41 -0.639 15.038 36.038 1.00 18.65 O ATOM 840 CB VAL D 41 -3.513 15.669 37.504 1.00 15.88 C ATOM 841 CG1 VAL D 41 -4.915 16.294 37.505 1.00 19.56 C ATOM 842 CG2 VAL D 41 -3.562 14.164 37.256 1.00 19.64 C ATOM 843 H VAL D 41 -2.825 15.171 34.684 1.00 0.00 H ATOM 844 N LEU D 42 -0.508 16.592 37.671 1.00 17.73 N ATOM 845 CA LEU D 42 0.896 16.344 37.969 1.00 21.47 C ATOM 846 C LEU D 42 0.975 15.332 39.104 1.00 21.30 C ATOM 847 O LEU D 42 0.464 15.584 40.186 1.00 20.44 O ATOM 848 CB LEU D 42 1.596 17.644 38.344 1.00 23.09 C ATOM 849 CG LEU D 42 3.063 17.555 38.760 1.00 21.09 C ATOM 850 CD1 LEU D 42 3.942 17.033 37.628 1.00 25.67 C ATOM 851 CD2 LEU D 42 3.528 18.923 39.262 1.00 22.15 C ATOM 852 H LEU D 42 -1.025 17.301 38.229 1.00 0.00 H ATOM 853 N VAL D 43 1.597 14.191 38.829 1.00 18.48 N ATOM 854 CA VAL D 43 1.547 13.035 39.715 1.00 21.90 C ATOM 855 C VAL D 43 2.879 12.830 40.436 1.00 21.40 C ATOM 856 O VAL D 43 3.931 12.749 39.801 1.00 22.78 O ATOM 857 CB VAL D 43 1.214 11.743 38.947 1.00 22.23 C ATOM 858 CG1 VAL D 43 1.170 10.550 39.886 1.00 21.42 C ATOM 859 CG2 VAL D 43 -0.127 11.863 38.202 1.00 20.25 C ATOM 860 H VAL D 43 2.142 14.120 37.946 1.00 0.00 H ATOM 861 N LYS D 44 2.813 12.744 41.757 1.00 22.38 N ATOM 862 CA LYS D 44 3.950 12.305 42.560 1.00 24.29 C ATOM 863 C LYS D 44 3.761 10.816 42.781 1.00 27.36 C ATOM 864 O LYS D 44 2.764 10.393 43.375 1.00 25.56 O ATOM 865 CB LYS D 44 4.019 13.072 43.880 1.00 24.39 C ATOM 866 CG LYS D 44 4.963 12.487 44.949 1.00 32.06 C ATOM 867 CD LYS D 44 6.420 12.433 44.489 1.00 32.85 C ATOM 868 CE LYS D 44 7.367 12.137 45.672 1.00 28.75 C ATOM 869 NZ LYS D 44 7.201 10.764 46.232 1.00 30.36 N ATOM 870 HZ1 LYS D 44 6.226 10.646 46.574 1.00 0.00 H ATOM 871 HZ2 LYS D 44 7.397 10.062 45.490 1.00 0.00 H ATOM 872 HZ3 LYS D 44 7.865 10.630 47.021 1.00 0.00 H ATOM 873 H LYS D 44 1.925 12.997 42.235 1.00 0.00 H ATOM 874 N TRP D 45 4.699 10.015 42.276 1.00 26.12 N ATOM 875 CA TRP D 45 4.589 8.567 42.381 1.00 24.50 C ATOM 876 C TRP D 45 5.171 8.057 43.707 1.00 26.07 C ATOM 877 O TRP D 45 6.242 8.494 44.130 1.00 26.41 O ATOM 878 CB TRP D 45 5.294 7.906 41.200 1.00 23.35 C ATOM 879 CG TRP D 45 4.774 8.374 39.875 1.00 22.51 C ATOM 880 CD1 TRP D 45 5.300 9.349 39.079 1.00 26.01 C ATOM 881 CD2 TRP D 45 3.590 7.909 39.212 1.00 25.38 C ATOM 882 NE1 TRP D 45 4.527 9.509 37.944 1.00 24.00 N ATOM 883 CE2 TRP D 45 3.471 8.635 38.006 1.00 26.62 C ATOM 884 CE3 TRP D 45 2.618 6.948 39.522 1.00 25.43 C ATOM 885 CZ2 TRP D 45 2.422 8.427 37.109 1.00 27.08 C ATOM 886 CZ3 TRP D 45 1.578 6.735 38.619 1.00 26.98 C ATOM 887 CH2 TRP D 45 1.489 7.473 37.434 1.00 31.69 C ATOM 888 HE1 TRP D 45 4.715 10.180 37.172 1.00 0.00 H ATOM 889 H TRP D 45 5.524 10.432 41.799 1.00 0.00 H ATOM 890 N SER D 46 4.455 7.145 44.358 1.00 28.79 N ATOM 891 CA SER D 46 4.918 6.568 45.618 1.00 35.55 C ATOM 892 C SER D 46 6.203 5.776 45.397 1.00 30.52 C ATOM 893 O SER D 46 6.275 4.933 44.502 1.00 32.13 O ATOM 894 CB SER D 46 3.841 5.670 46.229 1.00 41.06 C ATOM 895 OG SER D 46 4.245 5.163 47.498 1.00 45.79 O ATOM 896 HG SER D 46 3.528 4.587 47.865 1.00 0.00 H ATOM 897 H SER D 46 3.545 6.835 43.961 1.00 0.00 H ATOM 898 N GLY D 47 7.222 6.063 46.203 1.00 36.77 N ATOM 899 CA GLY D 47 8.486 5.352 46.104 1.00 39.42 C ATOM 900 C GLY D 47 9.465 5.988 45.130 1.00 45.84 C ATOM 901 O GLY D 47 10.595 5.524 44.984 1.00 46.42 O ATOM 902 H GLY D 47 7.112 6.810 46.918 1.00 0.00 H ATOM 903 N PHE D 48 9.024 7.045 44.454 1.00 38.16 N ATOM 904 CA PHE D 48 9.877 7.793 43.533 1.00 31.69 C ATOM 905 C PHE D 48 10.060 9.202 44.060 1.00 31.17 C ATOM 906 O PHE D 48 9.148 9.761 44.666 1.00 39.43 O ATOM 907 CB PHE D 48 9.278 7.834 42.122 1.00 31.76 C ATOM 908 CG PHE D 48 9.243 6.496 41.436 1.00 36.92 C ATOM 909 CD1 PHE D 48 10.178 6.178 40.464 1.00 39.33 C ATOM 910 CD2 PHE D 48 8.282 5.555 41.768 1.00 36.83 C ATOM 911 CE1 PHE D 48 10.150 4.952 39.834 1.00 38.70 C ATOM 912 CE2 PHE D 48 8.252 4.322 41.143 1.00 38.86 C ATOM 913 CZ PHE D 48 9.190 4.020 40.175 1.00 38.57 C ATOM 914 H PHE D 48 8.038 7.350 44.585 1.00 0.00 H ATOM 915 N PRO D 49 11.242 9.787 43.841 1.00 33.41 N ATOM 916 CA PRO D 49 11.453 11.174 44.257 1.00 29.08 C ATOM 917 C PRO D 49 10.670 12.128 43.361 1.00 30.93 C ATOM 918 O PRO D 49 10.244 11.726 42.269 1.00 29.43 O ATOM 919 CB PRO D 49 12.959 11.362 44.079 1.00 32.70 C ATOM 920 CG PRO D 49 13.295 10.446 42.942 1.00 32.12 C ATOM 921 CD PRO D 49 12.411 9.240 43.132 1.00 31.77 C ATOM 922 N ASN D 50 10.497 13.368 43.808 1.00 30.10 N ATOM 923 CA ASN D 50 9.776 14.384 43.040 1.00 35.18 C ATOM 924 C ASN D 50 10.385 14.674 41.680 1.00 33.27 C ATOM 925 O ASN D 50 9.688 15.137 40.768 1.00 26.10 O ATOM 926 CB ASN D 50 9.691 15.688 43.833 1.00 37.72 C ATOM 927 CG ASN D 50 8.584 15.664 44.866 1.00 43.24 C ATOM 928 OD1 ASN D 50 7.438 15.995 44.564 1.00 37.07 O ATOM 929 ND2 ASN D 50 8.914 15.255 46.084 1.00 40.43 N ATOM 930 HD22 ASN D 50 9.896 14.985 46.294 1.00 0.00 H ATOM 931 HD21 ASN D 50 8.190 15.204 46.829 1.00 0.00 H ATOM 932 H ASN D 50 10.888 13.625 44.737 1.00 0.00 H ATOM 933 N GLU D 51 11.684 14.410 41.548 1.00 30.28 N ATOM 934 CA GLU D 51 12.370 14.581 40.268 1.00 34.00 C ATOM 935 C GLU D 51 11.659 13.815 39.155 1.00 28.70 C ATOM 936 O GLU D 51 11.695 14.208 37.982 1.00 30.17 O ATOM 937 CB GLU D 51 13.829 14.119 40.381 1.00 40.15 C ATOM 938 CG GLU D 51 14.745 15.110 41.101 1.00 50.77 C ATOM 939 CD GLU D 51 14.529 15.183 42.612 1.00 54.80 C ATOM 940 OE1 GLU D 51 13.820 14.324 43.180 1.00 53.85 O ATOM 941 OE2 GLU D 51 15.090 16.108 43.241 1.00 64.05 O ATOM 942 H GLU D 51 12.222 14.075 42.373 1.00 0.00 H ATOM 943 N ASN D 52 10.980 12.738 39.529 1.00 25.76 N ATOM 944 CA ASN D 52 10.328 11.897 38.532 1.00 27.11 C ATOM 945 C ASN D 52 8.815 12.100 38.438 1.00 23.98 C ATOM 946 O ASN D 52 8.115 11.239 37.907 1.00 25.48 O ATOM 947 CB ASN D 52 10.627 10.430 38.811 1.00 28.73 C ATOM 948 CG ASN D 52 12.098 10.084 38.603 1.00 36.56 C ATOM 949 OD1 ASN D 52 12.771 9.624 39.518 1.00 34.29 O ATOM 950 ND2 ASN D 52 12.594 10.303 37.392 1.00 33.78 N ATOM 951 HD22 ASN D 52 11.987 10.695 36.644 1.00 0.00 H ATOM 952 HD21 ASN D 52 13.590 10.083 37.190 1.00 0.00 H ATOM 953 H ASN D 52 10.913 12.493 40.537 1.00 0.00 H ATOM 954 N ASN D 53 8.327 13.230 38.944 1.00 24.45 N ATOM 955 CA ASN D 53 6.917 13.593 38.786 1.00 25.51 C ATOM 956 C ASN D 53 6.557 13.717 37.300 1.00 24.97 C ATOM 957 O ASN D 53 7.344 14.244 36.522 1.00 26.03 O ATOM 958 CB ASN D 53 6.612 14.913 39.501 1.00 21.14 C ATOM 959 CG ASN D 53 6.704 14.808 41.011 1.00 26.70 C ATOM 960 OD1 ASN D 53 6.769 13.717 41.573 1.00 22.86 O ATOM 961 ND2 ASN D 53 6.704 15.959 41.678 1.00 26.30 N ATOM 962 HD22 ASN D 53 6.647 16.860 41.161 1.00 0.00 H ATOM 963 HD21 ASN D 53 6.761 15.958 42.716 1.00 0.00 H ATOM 964 H ASN D 53 8.961 13.870 39.463 1.00 0.00 H ATOM 965 N THR D 54 5.373 13.249 36.905 1.00 24.06 N ATOM 966 CA THR D 54 4.977 13.328 35.497 1.00 24.79 C ATOM 967 C THR D 54 3.578 13.913 35.347 1.00 25.28 C ATOM 968 O THR D 54 2.730 13.710 36.216 1.00 19.83 O ATOM 969 CB THR D 54 4.999 11.956 34.816 1.00 27.16 C ATOM 970 OG1 THR D 54 4.107 11.060 35.489 1.00 27.62 O ATOM 971 CG2 THR D 54 6.415 11.372 34.819 1.00 25.30 C ATOM 972 HG1 THR D 54 4.128 10.177 35.042 1.00 0.00 H ATOM 973 H THR D 54 4.727 12.825 37.601 1.00 0.00 H ATOM 974 N TRP D 55 3.353 14.624 34.243 1.00 21.14 N ATOM 975 CA TRP D 55 2.007 15.068 33.872 1.00 22.08 C ATOM 976 C TRP D 55 1.265 13.907 33.201 1.00 24.29 C ATOM 977 O TRP D 55 1.797 13.248 32.299 1.00 27.78 O ATOM 978 CB TRP D 55 2.050 16.286 32.940 1.00 23.72 C ATOM 979 CG TRP D 55 2.496 17.560 33.607 1.00 24.18 C ATOM 980 CD1 TRP D 55 3.747 18.102 33.569 1.00 25.05 C ATOM 981 CD2 TRP D 55 1.699 18.454 34.401 1.00 23.77 C ATOM 982 NE1 TRP D 55 3.780 19.272 34.284 1.00 23.20 N ATOM 983 CE2 TRP D 55 2.532 19.516 34.799 1.00 22.57 C ATOM 984 CE3 TRP D 55 0.358 18.465 34.806 1.00 21.30 C ATOM 985 CZ2 TRP D 55 2.081 20.564 35.598 1.00 20.66 C ATOM 986 CZ3 TRP D 55 -0.091 19.516 35.580 1.00 17.55 C ATOM 987 CH2 TRP D 55 0.763 20.548 35.974 1.00 21.26 C ATOM 988 HE1 TRP D 55 4.616 19.877 34.415 1.00 0.00 H ATOM 989 H TRP D 55 4.155 14.871 33.628 1.00 0.00 H ATOM 990 N GLU D 56 0.045 13.642 33.659 1.00 20.92 N ATOM 991 CA GLU D 56 -0.744 12.551 33.115 1.00 22.39 C ATOM 992 C GLU D 56 -2.122 13.028 32.731 1.00 21.18 C ATOM 993 O GLU D 56 -2.692 13.864 33.427 1.00 20.02 O ATOM 994 CB GLU D 56 -0.866 11.416 34.126 1.00 23.35 C ATOM 995 CG GLU D 56 0.468 10.890 34.631 1.00 22.12 C ATOM 996 CD GLU D 56 1.258 10.143 33.569 1.00 29.75 C ATOM 997 OE1 GLU D 56 0.672 9.783 32.531 1.00 33.32 O ATOM 998 OE2 GLU D 56 2.469 9.901 33.779 1.00 30.20 O ATOM 999 H GLU D 56 -0.352 14.227 34.422 1.00 0.00 H ATOM 1000 N PRO D 57 -2.676 12.479 31.635 1.00 24.47 N ATOM 1001 CA PRO D 57 -4.057 12.802 31.269 1.00 22.14 C ATOM 1002 C PRO D 57 -5.013 12.407 32.375 1.00 25.78 C ATOM 1003 O PRO D 57 -4.831 11.370 32.994 1.00 25.06 O ATOM 1004 CB PRO D 57 -4.309 11.963 30.006 1.00 28.03 C ATOM 1005 CG PRO D 57 -3.215 10.948 29.975 1.00 32.49 C ATOM 1006 CD PRO D 57 -2.041 11.578 30.659 1.00 27.74 C ATOM 1007 N LEU D 58 -6.018 13.237 32.617 1.00 20.70 N ATOM 1008 CA LEU D 58 -7.000 12.982 33.651 1.00 20.55 C ATOM 1009 C LEU D 58 -7.649 11.621 33.416 1.00 26.54 C ATOM 1010 O LEU D 58 -8.102 10.956 34.350 1.00 27.84 O ATOM 1011 CB LEU D 58 -8.043 14.101 33.660 1.00 24.11 C ATOM 1012 CG LEU D 58 -8.900 14.250 34.908 1.00 25.32 C ATOM 1013 CD1 LEU D 58 -8.057 14.560 36.135 1.00 25.43 C ATOM 1014 CD2 LEU D 58 -9.950 15.334 34.699 1.00 22.46 C ATOM 1015 H LEU D 58 -6.104 14.101 32.045 1.00 0.00 H ATOM 1016 N GLU D 59 -7.662 11.195 32.154 1.00 28.18 N ATOM 1017 CA GLU D 59 -8.200 9.883 31.801 1.00 30.65 C ATOM 1018 C GLU D 59 -7.403 8.742 32.444 1.00 31.31 C ATOM 1019 O GLU D 59 -7.905 7.628 32.575 1.00 38.85 O ATOM 1020 CB GLU D 59 -8.228 9.709 30.275 1.00 35.00 C ATOM 1021 CG GLU D 59 -9.240 10.593 29.560 1.00 41.60 C ATOM 1022 CD GLU D 59 -8.661 11.920 29.102 1.00 44.16 C ATOM 1023 OE1 GLU D 59 -9.135 12.443 28.067 1.00 43.94 O ATOM 1024 OE2 GLU D 59 -7.742 12.448 29.769 1.00 33.72 O ATOM 1025 H GLU D 59 -7.282 11.808 31.405 1.00 0.00 H ATOM 1026 N ASN D 60 -6.171 9.029 32.857 1.00 30.19 N ATOM 1027 CA ASN D 60 -5.287 8.012 33.426 1.00 28.02 C ATOM 1028 C ASN D 60 -5.429 7.814 34.938 1.00 27.49 C ATOM 1029 O ASN D 60 -4.878 6.864 35.486 1.00 29.32 O ATOM 1030 CB ASN D 60 -3.819 8.355 33.124 1.00 30.70 C ATOM 1031 CG ASN D 60 -3.368 7.894 31.749 1.00 34.66 C ATOM 1032 OD1 ASN D 60 -4.182 7.571 30.888 1.00 33.60 O ATOM 1033 ND2 ASN D 60 -2.050 7.875 31.538 1.00 35.38 N ATOM 1034 HD22 ASN D 60 -1.398 8.157 32.297 1.00 0.00 H ATOM 1035 HD21 ASN D 60 -1.675 7.578 30.614 1.00 0.00 H ATOM 1036 H ASN D 60 -5.826 10.006 32.773 1.00 0.00 H ATOM 1037 N VAL D 61 -6.143 8.699 35.629 1.00 21.32 N ATOM 1038 CA VAL D 61 -6.052 8.691 37.089 1.00 20.68 C ATOM 1039 C VAL D 61 -7.352 8.280 37.806 1.00 19.82 C ATOM 1040 O VAL D 61 -7.578 8.628 38.967 1.00 23.59 O ATOM 1041 CB VAL D 61 -5.557 10.078 37.607 1.00 24.95 C ATOM 1042 CG1 VAL D 61 -4.215 10.400 36.985 1.00 24.63 C ATOM 1043 CG2 VAL D 61 -6.551 11.185 37.286 1.00 28.19 C ATOM 1044 H VAL D 61 -6.754 9.384 35.140 1.00 0.00 H ATOM 1045 N GLY D 62 -8.183 7.497 37.123 1.00 21.76 N ATOM 1046 CA GLY D 62 -9.417 7.009 37.706 1.00 21.18 C ATOM 1047 C GLY D 62 -9.262 6.212 38.993 1.00 24.22 C ATOM 1048 O GLY D 62 -10.175 6.155 39.811 1.00 22.81 O ATOM 1049 H GLY D 62 -7.941 7.229 36.148 1.00 0.00 H ATOM 1050 N ASN D 63 -8.102 5.604 39.187 1.00 24.58 N ATOM 1051 CA ASN D 63 -7.893 4.773 40.368 1.00 28.80 C ATOM 1052 C ASN D 63 -7.245 5.503 41.551 1.00 32.50 C ATOM 1053 O ASN D 63 -6.864 4.871 42.550 1.00 26.16 O ATOM 1054 CB ASN D 63 -7.057 3.545 39.976 1.00 29.77 C ATOM 1055 CG ASN D 63 -7.866 2.525 39.189 1.00 39.40 C ATOM 1056 OD1 ASN D 63 -9.004 2.230 39.540 1.00 36.89 O ATOM 1057 ND2 ASN D 63 -7.282 1.985 38.125 1.00 43.64 N ATOM 1058 HD22 ASN D 63 -6.315 2.265 37.864 1.00 0.00 H ATOM 1059 HD21 ASN D 63 -7.792 1.282 37.553 1.00 0.00 H ATOM 1060 H ASN D 63 -7.335 5.719 38.494 1.00 0.00 H ATOM 1061 N CYS D 64 -7.115 6.825 41.443 1.00 24.88 N ATOM 1062 CA CYS D 64 -6.628 7.632 42.567 1.00 22.42 C ATOM 1063 C CYS D 64 -7.472 8.901 42.752 1.00 21.54 C ATOM 1064 O CYS D 64 -6.948 10.006 42.949 1.00 24.56 O ATOM 1065 CB CYS D 64 -5.135 7.983 42.387 1.00 23.45 C ATOM 1066 SG CYS D 64 -4.674 8.982 40.944 1.00 26.80 S ATOM 1067 H CYS D 64 -7.363 7.292 40.547 1.00 0.00 H ATOM 1068 N MET D 65 -8.790 8.746 42.703 1.00 26.50 N ATOM 1069 CA MET D 65 -9.660 9.916 42.767 1.00 24.13 C ATOM 1070 C MET D 65 -9.754 10.485 44.172 1.00 24.97 C ATOM 1071 O MET D 65 -10.165 11.623 44.354 1.00 22.67 O ATOM 1072 CB MET D 65 -11.059 9.577 42.233 1.00 23.51 C ATOM 1073 CG MET D 65 -11.066 9.370 40.715 1.00 22.49 C ATOM 1074 SD MET D 65 -10.314 10.716 39.787 1.00 38.19 S ATOM 1075 CE MET D 65 -11.471 12.028 40.132 1.00 33.04 C ATOM 1076 H MET D 65 -9.201 7.794 42.619 1.00 0.00 H ATOM 1077 N LYS D 66 -9.378 9.710 45.179 1.00 24.00 N ATOM 1078 CA LYS D 66 -9.304 10.295 46.495 1.00 25.44 C ATOM 1079 C LYS D 66 -8.190 11.353 46.512 1.00 19.54 C ATOM 1080 O LYS D 66 -8.365 12.426 47.080 1.00 22.21 O ATOM 1081 CB LYS D 66 -9.059 9.242 47.563 1.00 32.01 C ATOM 1082 CG LYS D 66 -9.158 9.817 48.955 1.00 45.86 C ATOM 1083 CD LYS D 66 -9.073 8.732 50.012 1.00 55.19 C ATOM 1084 CE LYS D 66 -7.627 8.447 50.324 1.00 59.86 C ATOM 1085 NZ LYS D 66 -7.439 7.997 51.730 1.00 62.44 N ATOM 1086 HZ1 LYS D 66 -7.772 8.740 52.378 1.00 0.00 H ATOM 1087 HZ2 LYS D 66 -7.984 7.126 51.890 1.00 0.00 H ATOM 1088 HZ3 LYS D 66 -6.430 7.812 51.902 1.00 0.00 H ATOM 1089 H LYS D 66 -9.143 8.709 45.025 1.00 0.00 H ATOM 1090 N LEU D 67 -7.052 11.046 45.900 1.00 19.91 N ATOM 1091 CA LEU D 67 -5.950 12.020 45.843 1.00 18.43 C ATOM 1092 C LEU D 67 -6.285 13.180 44.907 1.00 19.23 C ATOM 1093 O LEU D 67 -5.871 14.325 45.115 1.00 16.98 O ATOM 1094 CB LEU D 67 -4.666 11.340 45.388 1.00 19.43 C ATOM 1095 CG LEU D 67 -4.209 10.253 46.372 1.00 26.45 C ATOM 1096 CD1 LEU D 67 -2.907 9.609 45.913 1.00 24.50 C ATOM 1097 CD2 LEU D 67 -4.079 10.821 47.774 1.00 22.68 C ATOM 1098 H LEU D 67 -6.939 10.111 45.458 1.00 0.00 H ATOM 1099 N VAL D 68 -7.038 12.884 43.861 1.00 18.88 N ATOM 1100 CA VAL D 68 -7.442 13.957 42.955 1.00 17.77 C ATOM 1101 C VAL D 68 -8.426 14.889 43.663 1.00 19.68 C ATOM 1102 O VAL D 68 -8.320 16.110 43.565 1.00 21.23 O ATOM 1103 CB VAL D 68 -8.064 13.399 41.668 1.00 22.55 C ATOM 1104 CG1 VAL D 68 -8.720 14.519 40.872 1.00 22.79 C ATOM 1105 CG2 VAL D 68 -6.986 12.702 40.837 1.00 23.92 C ATOM 1106 H VAL D 68 -7.338 11.904 43.686 1.00 0.00 H ATOM 1107 N SER D 69 -9.365 14.311 44.405 1.00 18.96 N ATOM 1108 CA SER D 69 -10.288 15.117 45.196 1.00 19.51 C ATOM 1109 C SER D 69 -9.559 15.967 46.232 1.00 22.15 C ATOM 1110 O SER D 69 -9.928 17.124 46.455 1.00 21.36 O ATOM 1111 CB SER D 69 -11.325 14.223 45.891 1.00 26.56 C ATOM 1112 OG SER D 69 -12.131 13.580 44.916 1.00 33.12 O ATOM 1113 HG SER D 69 -11.558 13.025 44.330 1.00 0.00 H ATOM 1114 H SER D 69 -9.442 13.274 44.422 1.00 0.00 H ATOM 1115 N ASP D 70 -8.533 15.402 46.860 1.00 22.67 N ATOM 1116 CA ASP D 70 -7.719 16.168 47.814 1.00 22.05 C ATOM 1117 C ASP D 70 -7.097 17.375 47.139 1.00 25.67 C ATOM 1118 O ASP D 70 -7.085 18.465 47.691 1.00 21.79 O ATOM 1119 CB ASP D 70 -6.597 15.316 48.418 1.00 24.53 C ATOM 1120 CG ASP D 70 -7.106 14.270 49.378 1.00 28.80 C ATOM 1121 OD1 ASP D 70 -8.292 14.342 49.769 1.00 27.51 O ATOM 1122 OD2 ASP D 70 -6.308 13.366 49.721 1.00 26.88 O ATOM 1123 H ASP D 70 -8.303 14.405 46.674 1.00 0.00 H ATOM 1124 N PHE D 71 -6.584 17.174 45.931 1.00 19.02 N ATOM 1125 CA PHE D 71 -5.952 18.267 45.192 1.00 21.37 C ATOM 1126 C PHE D 71 -6.976 19.345 44.815 1.00 20.90 C ATOM 1127 O PHE D 71 -6.747 20.533 45.027 1.00 23.22 O ATOM 1128 CB PHE D 71 -5.260 17.738 43.931 1.00 19.26 C ATOM 1129 CG PHE D 71 -4.809 18.817 43.008 1.00 22.83 C ATOM 1130 CD1 PHE D 71 -3.652 19.521 43.270 1.00 25.77 C ATOM 1131 CD2 PHE D 71 -5.559 19.146 41.884 1.00 27.13 C ATOM 1132 CE1 PHE D 71 -3.237 20.543 42.418 1.00 26.89 C ATOM 1133 CE2 PHE D 71 -5.154 20.164 41.040 1.00 31.72 C ATOM 1134 CZ PHE D 71 -3.996 20.861 41.310 1.00 25.78 C ATOM 1135 H PHE D 71 -6.632 16.227 45.504 1.00 0.00 H ATOM 1136 N GLU D 72 -8.108 18.913 44.262 1.00 18.02 N ATOM 1137 CA GLU D 72 -9.194 19.831 43.913 1.00 23.66 C ATOM 1138 C GLU D 72 -9.641 20.660 45.121 1.00 28.41 C ATOM 1139 O GLU D 72 -9.898 21.858 44.997 1.00 23.93 O ATOM 1140 CB GLU D 72 -10.378 19.053 43.323 1.00 21.99 C ATOM 1141 CG GLU D 72 -10.090 18.452 41.952 1.00 32.88 C ATOM 1142 CD GLU D 72 -10.240 19.474 40.831 1.00 47.78 C ATOM 1143 OE1 GLU D 72 -10.982 20.461 41.028 1.00 48.09 O ATOM 1144 OE2 GLU D 72 -9.626 19.291 39.757 1.00 44.74 O ATOM 1145 H GLU D 72 -8.224 17.897 44.073 1.00 0.00 H ATOM 1146 N SER D 73 -9.684 20.031 46.292 1.00 21.26 N ATOM 1147 CA SER D 73 -10.106 20.718 47.505 1.00 24.00 C ATOM 1148 C SER D 73 -9.118 21.822 47.849 1.00 26.77 C ATOM 1149 O SER D 73 -9.512 22.911 48.254 1.00 28.10 O ATOM 1150 CB SER D 73 -10.238 19.738 48.671 1.00 24.24 C ATOM 1151 OG SER D 73 -11.335 18.860 48.461 1.00 31.13 O ATOM 1152 HG SER D 73 -12.169 19.388 48.388 1.00 0.00 H ATOM 1153 H SER D 73 -9.411 19.029 46.343 1.00 0.00 H ATOM 1154 N GLU D 74 -7.834 21.538 47.658 1.00 24.79 N ATOM 1155 CA GLU D 74 -6.804 22.514 47.971 1.00 27.41 C ATOM 1156 C GLU D 74 -6.846 23.692 46.998 1.00 28.05 C ATOM 1157 O GLU D 74 -6.716 24.837 47.418 1.00 33.27 O ATOM 1158 CB GLU D 74 -5.422 21.860 47.967 1.00 36.46 C ATOM 1159 CG GLU D 74 -4.325 22.764 48.514 1.00 49.72 C ATOM 1160 CD GLU D 74 -4.599 23.230 49.937 1.00 62.45 C ATOM 1161 OE1 GLU D 74 -5.085 22.417 50.756 1.00 66.12 O ATOM 1162 OE2 GLU D 74 -4.335 24.415 50.233 1.00 66.93 O ATOM 1163 H GLU D 74 -7.563 20.607 47.281 1.00 0.00 H ATOM 1164 N VAL D 75 -7.046 23.417 45.712 1.00 26.33 N ATOM 1165 CA VAL D 75 -7.154 24.478 44.709 1.00 28.94 C ATOM 1166 C VAL D 75 -8.305 25.417 45.058 1.00 33.05 C ATOM 1167 O VAL D 75 -8.149 26.640 45.037 1.00 34.82 O ATOM 1168 CB VAL D 75 -7.370 23.918 43.282 1.00 33.06 C ATOM 1169 CG1 VAL D 75 -7.663 25.050 42.286 1.00 33.73 C ATOM 1170 CG2 VAL D 75 -6.149 23.122 42.829 1.00 37.77 C ATOM 1171 H VAL D 75 -7.128 22.425 45.412 1.00 0.00 H ATOM 1172 N PHE D 76 -9.453 24.839 45.403 1.00 28.93 N ATOM 1173 CA PHE D 76 -10.626 25.642 45.728 1.00 29.67 C ATOM 1174 C PHE D 76 -10.316 26.538 46.918 1.00 32.19 C ATOM 1175 O PHE D 76 -10.707 27.708 46.951 1.00 34.89 O ATOM 1176 CB PHE D 76 -11.839 24.753 46.023 1.00 28.52 C ATOM 1177 CG PHE D 76 -13.116 25.526 46.213 1.00 29.09 C ATOM 1178 CD1 PHE D 76 -13.654 26.259 45.163 1.00 29.38 C ATOM 1179 CD2 PHE D 76 -13.767 25.528 47.438 1.00 31.07 C ATOM 1180 CE1 PHE D 76 -14.830 26.977 45.332 1.00 31.24 C ATOM 1181 CE2 PHE D 76 -14.939 26.239 47.609 1.00 31.28 C ATOM 1182 CZ PHE D 76 -15.464 26.964 46.562 1.00 27.53 C ATOM 1183 H PHE D 76 -9.514 23.802 45.441 1.00 0.00 H ATOM 1184 N ARG D 77 -9.590 25.988 47.884 1.00 31.77 N ATOM 1185 CA ARG D 77 -9.239 26.733 49.085 1.00 37.51 C ATOM 1186 C ARG D 77 -8.385 27.943 48.726 1.00 39.34 C ATOM 1187 O ARG D 77 -8.563 29.024 49.280 1.00 41.27 O ATOM 1188 CB ARG D 77 -8.510 25.834 50.085 1.00 38.22 C ATOM 1189 CG ARG D 77 -8.039 26.555 51.339 1.00 47.18 C ATOM 1190 CD ARG D 77 -7.293 25.613 52.267 1.00 52.85 C ATOM 1191 NE ARG D 77 -5.856 25.883 52.282 1.00 62.50 N ATOM 1192 CZ ARG D 77 -5.238 26.608 53.210 1.00 70.30 C ATOM 1193 NH1 ARG D 77 -5.926 27.139 54.213 1.00 75.21 N ATOM 1194 NH2 ARG D 77 -3.929 26.799 53.140 1.00 74.11 N ATOM 1195 HE ARG D 77 -5.279 25.481 51.516 1.00 0.00 H ATOM 1196 HH12 ARG D 77 -5.438 27.705 54.936 1.00 0.00 H ATOM 1197 HH11 ARG D 77 -6.953 26.989 54.276 1.00 0.00 H ATOM 1198 HH22 ARG D 77 -3.447 27.366 53.866 1.00 0.00 H ATOM 1199 HH21 ARG D 77 -3.384 26.382 52.359 1.00 0.00 H ATOM 1200 H ARG D 77 -9.265 25.005 47.781 1.00 0.00 H ATOM 1201 N LEU D 78 -7.481 27.764 47.771 1.00 38.58 N ATOM 1202 CA LEU D 78 -6.606 28.852 47.355 1.00 39.85 C ATOM 1203 C LEU D 78 -7.358 29.855 46.482 1.00 43.35 C ATOM 1204 O LEU D 78 -7.102 31.060 46.557 1.00 40.95 O ATOM 1205 CB LEU D 78 -5.381 28.312 46.617 1.00 48.16 C ATOM 1206 CG LEU D 78 -4.158 29.225 46.741 1.00 57.22 C ATOM 1207 CD1 LEU D 78 -3.330 28.824 47.952 1.00 58.49 C ATOM 1208 CD2 LEU D 78 -3.322 29.211 45.470 1.00 62.91 C ATOM 1209 H LEU D 78 -7.396 26.834 47.313 1.00 0.00 H ATOM 1210 N HIS D 79 -8.289 29.371 45.660 1.00 38.74 N ATOM 1211 CA HIS D 79 -9.117 30.278 44.870 1.00 41.88 C ATOM 1212 C HIS D 79 -9.958 31.169 45.775 1.00 41.52 C ATOM 1213 O HIS D 79 -10.139 32.355 45.494 1.00 42.01 O ATOM 1214 CB HIS D 79 -10.020 29.513 43.903 1.00 51.90 C ATOM 1215 CG HIS D 79 -9.337 29.110 42.633 1.00 64.44 C ATOM 1216 ND1 HIS D 79 -9.806 28.103 41.820 1.00 66.98 N ATOM 1217 CD2 HIS D 79 -8.218 29.588 42.035 1.00 67.95 C ATOM 1218 CE1 HIS D 79 -9.005 27.973 40.775 1.00 65.37 C ATOM 1219 NE2 HIS D 79 -8.035 28.861 40.883 1.00 66.06 N ATOM 1220 H HIS D 79 -8.426 28.343 45.581 1.00 0.00 H ATOM 1221 N ARG D 80 -10.465 30.594 46.861 1.00 39.27 N ATOM 1222 CA ARG D 80 -11.230 31.364 47.832 1.00 41.08 C ATOM 1223 C ARG D 80 -10.352 32.419 48.495 1.00 43.91 C ATOM 1224 O ARG D 80 -10.834 33.498 48.846 1.00 45.02 O ATOM 1225 CB ARG D 80 -11.850 30.449 48.888 1.00 41.95 C ATOM 1226 CG ARG D 80 -12.935 29.532 48.344 1.00 39.28 C ATOM 1227 CD ARG D 80 -14.148 30.320 47.868 1.00 47.15 C ATOM 1228 NE ARG D 80 -15.048 30.676 48.961 1.00 53.92 N ATOM 1229 CZ ARG D 80 -16.166 31.388 48.809 1.00 61.25 C ATOM 1230 NH1 ARG D 80 -16.524 31.829 47.608 1.00 64.58 N ATOM 1231 NH2 ARG D 80 -16.928 31.659 49.863 1.00 53.63 N ATOM 1232 HE ARG D 80 -14.802 30.354 49.919 1.00 0.00 H ATOM 1233 HH12 ARG D 80 -17.397 32.383 47.497 1.00 0.00 H ATOM 1234 HH11 ARG D 80 -15.931 31.620 46.779 1.00 0.00 H ATOM 1235 HH22 ARG D 80 -17.800 32.214 49.746 1.00 0.00 H ATOM 1236 HH21 ARG D 80 -16.653 31.316 50.806 1.00 0.00 H ATOM 1237 H ARG D 80 -10.313 29.578 47.020 1.00 0.00 H ATOM 1238 N LYS D 81 -9.065 32.120 48.655 1.00 42.94 N ATOM 1239 CA LYS D 81 -8.158 33.080 49.279 1.00 45.55 C ATOM 1240 C LYS D 81 -7.872 34.235 48.339 1.00 44.84 C ATOM 1241 O LYS D 81 -7.854 35.392 48.757 1.00 47.33 O ATOM 1242 CB LYS D 81 -6.843 32.419 49.709 1.00 47.61 C ATOM 1243 CG LYS D 81 -5.780 33.431 50.122 1.00 57.37 C ATOM 1244 CD LYS D 81 -4.720 32.825 51.029 1.00 64.72 C ATOM 1245 CE LYS D 81 -4.011 31.656 50.378 1.00 69.28 C ATOM 1246 NZ LYS D 81 -3.216 30.893 51.380 1.00 66.70 N ATOM 1247 HZ1 LYS D 81 -2.505 31.520 51.807 1.00 0.00 H ATOM 1248 HZ2 LYS D 81 -3.850 30.530 52.120 1.00 0.00 H ATOM 1249 HZ3 LYS D 81 -2.740 30.097 50.910 1.00 0.00 H ATOM 1250 H LYS D 81 -8.704 31.199 48.334 1.00 0.00 H ATOM 1251 N ALA D 82 -7.648 33.913 47.068 1.00 43.56 N ATOM 1252 CA ALA D 82 -7.416 34.930 46.052 1.00 47.54 C ATOM 1253 C ALA D 82 -8.629 35.844 45.943 1.00 50.09 C ATOM 1254 O ALA D 82 -8.496 37.039 45.676 1.00 51.78 O ATOM 1255 CB ALA D 82 -7.109 34.285 44.714 1.00 51.52 C ATOM 1256 H ALA D 82 -7.638 32.910 46.793 1.00 0.00 H ATOM 1257 N ALA D 83 -9.810 35.272 46.159 1.00 45.39 N ATOM 1258 CA ALA D 83 -11.052 36.033 46.134 1.00 47.74 C ATOM 1259 C ALA D 83 -11.105 36.990 47.314 1.00 50.08 C ATOM 1260 O ALA D 83 -11.400 38.177 47.151 1.00 50.47 O ATOM 1261 CB ALA D 83 -12.256 35.097 46.150 1.00 49.33 C ATOM 1262 H ALA D 83 -9.848 34.251 46.352 1.00 0.00 H ATOM 1263 N ALA D 84 -10.807 36.462 48.498 1.00 47.58 N ATOM 1264 CA ALA D 84 -10.824 37.248 49.726 1.00 55.43 C ATOM 1265 C ALA D 84 -9.897 38.459 49.636 1.00 53.19 C ATOM 1266 O ALA D 84 -10.270 39.566 50.031 1.00 53.99 O ATOM 1267 CB ALA D 84 -10.440 36.379 50.910 1.00 59.38 C ATOM 1268 H ALA D 84 -10.553 35.455 48.550 1.00 0.00 H ATOM 1269 N LYS D 85 -8.699 38.248 49.100 1.00 54.83 N ATOM 1270 CA LYS D 85 -7.701 39.311 49.037 1.00 59.28 C ATOM 1271 C LYS D 85 -8.067 40.364 47.994 1.00 54.75 C ATOM 1272 O LYS D 85 -7.613 41.506 48.076 1.00 53.44 O ATOM 1273 CB LYS D 85 -6.310 38.739 48.739 1.00 64.70 C ATOM 1274 CG LYS D 85 -5.234 39.179 49.732 1.00 71.26 C ATOM 1275 CD LYS D 85 -3.875 39.357 49.058 1.00 69.89 C ATOM 1276 CE LYS D 85 -2.760 39.536 50.085 1.00 69.70 C ATOM 1277 NZ LYS D 85 -2.303 38.229 50.645 1.00 74.18 N ATOM 1278 HZ1 LYS D 85 -3.102 37.754 51.111 1.00 0.00 H ATOM 1279 HZ2 LYS D 85 -1.944 37.630 49.875 1.00 0.00 H ATOM 1280 HZ3 LYS D 85 -1.546 38.396 51.338 1.00 0.00 H ATOM 1281 H LYS D 85 -8.469 37.308 48.719 1.00 0.00 H ATOM 1282 N SER D 86 -8.882 39.985 47.012 1.00 55.25 N ATOM 1283 CA SER D 86 -9.316 40.940 45.997 1.00 53.29 C ATOM 1284 C SER D 86 -10.317 41.930 46.590 1.00 54.50 C ATOM 1285 O SER D 86 -10.491 43.034 46.072 1.00 54.88 O ATOM 1286 CB SER D 86 -9.936 40.225 44.794 1.00 57.11 C ATOM 1287 OG SER D 86 -11.213 39.696 45.111 1.00 57.89 O ATOM 1288 HG SER D 86 -11.125 39.047 45.853 1.00 0.00 H ATOM 1289 H SER D 86 -9.212 39.000 46.968 1.00 0.00 H TER 1290 SER D 86 HETATM 1291 O HOH 1 -12.173 22.478 34.467 1.00 47.11 O HETATM 1292 O HOH 2 -7.555 31.793 25.267 1.00 47.56 O HETATM 1293 O HOH 3 -15.468 7.776 22.386 1.00 34.10 O HETATM 1294 O HOH 4 -4.537 33.764 26.293 1.00 36.95 O HETATM 1295 O HOH 5 -13.977 6.211 41.876 1.00 37.62 O HETATM 1296 O HOH 6 -16.183 14.776 47.476 1.00 30.58 O HETATM 1297 O HOH 7 -21.511 6.331 28.366 1.00 30.40 O HETATM 1298 O HOH 8 -12.948 23.142 37.947 1.00 57.11 O HETATM 1299 O HOH 9 -21.273 24.813 41.398 1.00 25.95 O HETATM 1300 O HOH 10 -32.263 15.653 39.985 1.00 49.95 O HETATM 1301 O HOH 11 -10.749 23.229 26.834 1.00 30.58 O HETATM 1302 O HOH 12 -18.902 13.995 27.304 1.00 23.16 O HETATM 1303 O HOH 13 -9.777 38.284 33.280 1.00 48.13 O HETATM 1304 O HOH 14 -25.777 22.950 44.112 1.00 26.09 O HETATM 1305 O HOH 15 -23.615 16.064 49.598 1.00 37.92 O HETATM 1306 O HOH 16 -29.667 7.921 28.044 1.00 41.77 O HETATM 1307 O HOH 17 -8.090 28.609 25.533 1.00 38.05 O HETATM 1308 O HOH 18 -8.356 37.473 29.111 1.00 54.58 O HETATM 1309 O HOH 19 -21.507 8.902 26.670 1.00 34.73 O HETATM 1310 O HOH 20 -27.870 18.679 46.983 1.00 28.28 O HETATM 1311 O HOH 21 -17.741 24.393 50.213 1.00 14.22 O HETATM 1312 O HOH 22 -28.087 10.202 23.909 1.00 52.53 O HETATM 1313 O HOH 23 -23.715 17.574 53.832 1.00 42.41 O HETATM 1314 O HOH 24 -10.585 27.561 25.020 1.00 43.74 O HETATM 1315 O HOH 25 -9.983 25.099 25.045 1.00 47.36 O HETATM 1316 O HOH 26 -18.657 16.931 51.205 1.00 28.70 O HETATM 1317 O HOH 27 -18.702 15.055 48.941 1.00 29.06 O HETATM 1318 O HOH 28 -29.848 10.945 34.969 1.00 25.24 O HETATM 1319 O HOH 29 -27.343 4.234 34.088 1.00 31.42 O HETATM 1320 O HOH 30 -28.077 15.044 43.985 1.00 33.53 O HETATM 1321 O HOH 31 -29.850 18.309 36.487 1.00 39.68 O HETATM 1322 O HOH 32 -16.390 4.900 39.359 1.00 26.74 O HETATM 1323 O HOH 33 -19.226 14.598 30.059 1.00 22.75 O HETATM 1324 O HOH 34 -27.910 22.203 42.337 1.00 45.11 O HETATM 1325 O HOH 35 -32.108 17.437 37.445 1.00 47.74 O HETATM 1326 O HOH 36 -21.151 16.038 52.642 1.00 56.17 O HETATM 1327 O HOH 37 -17.683 16.110 53.547 1.00 51.84 O HETATM 1328 O HOH 38 -28.958 17.332 29.864 1.00 45.91 O HETATM 1329 O HOH 39 -21.046 23.427 37.366 1.00 35.66 O HETATM 1330 O HOH 40 -21.914 12.634 26.930 1.00 50.42 O HETATM 1331 O HOH 41 -21.908 14.119 51.166 1.00 54.60 O HETATM 1332 O HOH 42 -34.214 14.016 30.040 1.00 53.87 O HETATM 1333 O HOH 43 -26.060 13.632 26.105 1.00 49.45 O HETATM 1334 O HOH 44 -14.189 -0.451 39.832 1.00 56.37 O HETATM 1335 O HOH 45 -23.456 13.348 25.728 1.00 49.50 O HETATM 1336 O HOH 46 -22.540 -3.459 38.895 1.00 60.18 O HETATM 1337 O HOH 47 -20.037 3.913 28.106 1.00 40.25 O HETATM 1338 O HOH 48 -25.687 -3.728 31.113 1.00 43.62 O HETATM 1339 O HOH 49 -18.291 4.421 26.502 1.00 43.07 O HETATM 1340 O HOH 50 -27.216 9.512 44.685 1.00 44.51 O HETATM 1341 O HOH 51 -24.223 12.446 51.959 1.00 59.46 O HETATM 1342 O HOH 52 -16.319 1.341 33.750 1.00 42.14 O HETATM 1343 O HOH 53 -10.424 22.478 42.015 1.00 47.11 O HETATM 1344 O HOH 54 -15.042 31.793 51.215 1.00 47.56 O HETATM 1345 O HOH 55 -7.129 7.776 54.096 1.00 34.10 O HETATM 1346 O HOH 56 -18.060 33.764 50.189 1.00 36.95 O HETATM 1347 O HOH 57 -8.620 6.211 34.606 1.00 37.62 O HETATM 1348 O HOH 58 -6.414 14.776 29.006 1.00 30.58 O HETATM 1349 O HOH 59 -1.086 6.331 48.116 1.00 30.40 O HETATM 1350 O HOH 60 -9.649 23.142 38.535 1.00 57.11 O HETATM 1351 O HOH 61 -1.324 24.813 35.084 1.00 25.95 O HETATM 1352 O HOH 62 9.666 15.653 36.497 1.00 49.95 O HETATM 1353 O HOH 63 -11.848 23.229 49.648 1.00 30.58 O HETATM 1354 O HOH 64 -3.695 13.995 49.178 1.00 23.16 O HETATM 1355 O HOH 65 -12.820 38.284 43.202 1.00 48.13 O HETATM 1356 O HOH 66 3.180 22.950 32.370 1.00 26.09 O HETATM 1357 O HOH 67 1.018 16.064 26.884 1.00 37.92 O HETATM 1358 O HOH 68 7.070 7.921 48.438 1.00 41.77 O HETATM 1359 O HOH 69 -14.507 28.609 50.949 1.00 38.05 O HETATM 1360 O HOH 70 -14.241 37.473 47.371 1.00 54.58 O HETATM 1361 O HOH 71 -1.090 8.902 49.812 1.00 34.73 O HETATM 1362 O HOH 72 5.273 18.679 29.499 1.00 28.28 O HETATM 1363 O HOH 73 -4.856 24.393 26.269 1.00 14.22 O HETATM 1364 O HOH 74 5.490 10.202 52.573 1.00 52.53 O HETATM 1365 O HOH 75 1.118 17.574 22.650 1.00 42.41 O HETATM 1366 O HOH 76 -12.012 27.561 51.462 1.00 43.74 O HETATM 1367 O HOH 77 -12.614 25.099 51.437 1.00 47.36 O HETATM 1368 O HOH 78 -3.940 16.931 25.277 1.00 28.70 O HETATM 1369 O HOH 79 -3.895 15.055 27.541 1.00 29.06 O HETATM 1370 O HOH 80 7.251 10.945 41.513 1.00 25.24 O HETATM 1371 O HOH 81 4.746 4.234 42.394 1.00 31.42 O HETATM 1372 O HOH 82 5.480 15.044 32.497 1.00 33.53 O HETATM 1373 O HOH 83 7.253 18.309 39.995 1.00 39.68 O HETATM 1374 O HOH 84 -6.207 4.900 37.123 1.00 26.74 O HETATM 1375 O HOH 85 -3.371 14.598 46.423 1.00 22.75 O HETATM 1376 O HOH 86 5.313 22.203 34.145 1.00 45.11 O HETATM 1377 O HOH 87 9.511 17.437 39.037 1.00 47.74 O HETATM 1378 O HOH 88 -1.446 16.038 23.840 1.00 56.17 O HETATM 1379 O HOH 89 -4.914 16.110 22.935 1.00 51.84 O HETATM 1380 O HOH 90 6.361 17.332 46.618 1.00 45.91 O HETATM 1381 O HOH 91 -1.551 23.427 39.116 1.00 35.66 O HETATM 1382 O HOH 92 -0.683 12.634 49.552 1.00 50.42 O HETATM 1383 O HOH 93 -0.689 14.119 25.316 1.00 54.60 O HETATM 1384 O HOH 94 11.617 14.016 46.442 1.00 53.87 O HETATM 1385 O HOH 95 3.463 13.632 50.377 1.00 49.45 O HETATM 1386 O HOH 96 -8.408 -0.451 36.650 1.00 56.37 O HETATM 1387 O HOH 97 0.859 13.348 50.754 1.00 49.50 O HETATM 1388 O HOH 98 -0.057 -3.459 37.587 1.00 60.18 O HETATM 1389 O HOH 99 -2.560 3.913 48.376 1.00 40.25 O HETATM 1390 O HOH 100 3.090 -3.728 45.369 1.00 43.62 O HETATM 1391 O HOH 101 -4.306 4.421 49.980 1.00 43.07 O HETATM 1392 O HOH 102 4.619 9.512 31.797 1.00 44.51 O HETATM 1393 O HOH 103 1.626 12.446 24.523 1.00 59.46 O HETATM 1394 O HOH 104 -6.278 1.341 42.732 1.00 42.14 O HETATM 1395 N LYS A 105 -16.494 1.244 28.951 1.00 0.24 N HETATM 1396 CA LYS A 105 -17.736 1.801 29.465 1.00 0.07 C HETATM 1397 C LYS A 105 -17.449 2.828 30.537 1.00 0.23 C HETATM 1398 O LYS A 105 -16.558 2.654 31.365 1.00 -0.39 O HETATM 1399 N LYS A 105 -18.221 3.901 30.519 1.00 -0.26 N HETATM 1400 CA LYS A 105 -18.103 4.928 31.533 1.00 0.13 C HETATM 1401 C LYS A 105 -19.156 4.663 32.591 1.00 0.20 C HETATM 1402 O LYS A 105 -20.344 4.658 32.294 1.00 -0.39 O HETATM 1403 N LYS A 105 -18.723 4.409 33.822 1.00 -0.26 N HETATM 1404 CA LYS A 105 -19.647 4.116 34.902 1.00 0.16 C HETATM 1405 C LYS A 105 -19.282 4.877 36.174 1.00 0.21 C HETATM 1406 O LYS A 105 -18.187 5.421 36.290 1.00 -0.39 O HETATM 1407 N LYS A 105 -20.206 4.912 37.124 1.00 -0.26 N HETATM 1408 CA LYS A 105 -19.940 5.560 38.397 1.00 0.13 C HETATM 1409 C LYS A 105 -20.795 4.954 39.485 1.00 0.20 C HETATM 1410 O LYS A 105 -21.828 4.352 39.211 1.00 -0.39 O HETATM 1411 N LYS A 105 -20.361 5.121 40.728 1.00 -0.26 N HETATM 1412 CA LYS A 105 -21.159 4.694 41.864 1.00 0.13 C HETATM 1413 C LYS A 105 -22.179 5.772 42.208 1.00 0.20 C HETATM 1414 O LYS A 105 -21.909 6.975 42.085 1.00 -0.39 O HETATM 1415 N LYS A 105 -23.361 5.334 42.620 1.00 -0.26 N HETATM 1416 CA LYS A 105 -24.457 6.234 42.894 1.00 0.13 C HETATM 1417 CB LYS A 105 -25.695 5.612 42.260 1.00 -0.01 C HETATM 1418 CG LYS A 105 -26.690 6.675 41.832 1.00 -0.04 C HETATM 1419 CD LYS A 105 -27.866 6.068 41.076 1.00 -0.01 C HETATM 1420 CE LYS A 105 -28.802 7.180 40.625 1.00 -0.03 C HETATM 1421 NZ LYS A 105 -29.986 6.638 39.940 1.00 0.24 N HETATM 1422 CM1 LYS A 105 -30.915 7.743 39.674 1.00 -0.04 C HETATM 1423 H59 LYS A 105 -31.808 7.356 39.161 1.00 0.08 H HETATM 1424 H60 LYS A 105 -30.422 8.491 39.036 1.00 0.08 H HETATM 1425 H61 LYS A 105 -31.212 8.210 40.625 1.00 0.08 H HETATM 1426 CM2 LYS A 105 -30.670 5.649 40.790 1.00 -0.04 C HETATM 1427 H62 LYS A 105 -29.988 4.812 41.000 1.00 0.08 H HETATM 1428 H63 LYS A 105 -31.563 5.272 40.269 1.00 0.08 H HETATM 1429 H64 LYS A 105 -30.970 6.124 41.736 1.00 0.08 H HETATM 1430 CM3 LYS A 105 -29.573 6.003 38.679 1.00 -0.04 C HETATM 1431 H65 LYS A 105 -29.062 6.743 38.046 1.00 0.08 H HETATM 1432 H66 LYS A 105 -30.460 5.620 38.153 1.00 0.08 H HETATM 1433 H67 LYS A 105 -28.887 5.170 38.895 1.00 0.08 H HETATM 1434 H57 LYS A 105 -28.262 7.845 39.935 1.00 0.08 H HETATM 1435 H58 LYS A 105 -29.128 7.753 41.506 1.00 0.08 H HETATM 1436 H55 LYS A 105 -28.409 5.376 41.736 1.00 0.03 H HETATM 1437 H56 LYS A 105 -27.495 5.521 40.197 1.00 0.03 H HETATM 1438 H53 LYS A 105 -26.181 7.399 41.179 1.00 0.03 H HETATM 1439 H54 LYS A 105 -27.069 7.191 42.727 1.00 0.03 H HETATM 1440 H51 LYS A 105 -26.175 4.946 42.991 1.00 0.03 H HETATM 1441 H52 LYS A 105 -25.391 5.030 41.377 1.00 0.03 H HETATM 1442 C LYS A 105 -24.619 6.318 44.381 1.00 0.20 C HETATM 1443 O LYS A 105 -24.731 5.258 45.035 1.00 -0.39 O HETATM 1444 N LYS A 105 -24.623 7.527 44.939 1.00 -0.27 N HETATM 1445 CA LYS A 105 -24.718 7.696 46.388 1.00 0.12 C HETATM 1446 C LYS A 105 -26.151 7.989 46.819 1.00 0.06 C HETATM 1447 O LYS A 105 -27.102 7.590 46.146 1.00 -0.57 O HETATM 1448 OXT LYS A 105 -26.378 8.629 47.846 1.00 -0.57 O HETATM 1449 CB LYS A 105 -23.783 8.814 46.867 1.00 0.08 C HETATM 1450 OG LYS A 105 -24.260 10.097 46.490 1.00 -0.39 O HETATM 1451 H72 LYS A 105 -24.323 10.145 45.543 1.00 0.21 H HETATM 1452 H70 LYS A 105 -22.788 8.660 46.425 1.00 0.06 H HETATM 1453 H71 LYS A 105 -23.708 8.770 47.964 1.00 0.06 H HETATM 1454 H69 LYS A 105 -24.402 6.755 46.862 1.00 0.07 H HETATM 1455 H68 LYS A 105 -24.560 8.336 44.355 1.00 0.19 H HETATM 1456 H50 LYS A 105 -24.266 7.232 42.473 1.00 0.08 H HETATM 1457 H49 LYS A 105 -23.498 4.351 42.745 1.00 0.19 H HETATM 1458 CB LYS A 105 -20.257 4.369 43.058 1.00 -0.01 C HETATM 1459 CG LYS A 105 -19.049 3.549 42.652 1.00 -0.02 C HETATM 1460 CD LYS A 105 -18.261 3.095 43.853 1.00 0.06 C HETATM 1461 NE LYS A 105 -17.202 2.122 43.553 1.00 -0.27 N HETATM 1462 CZ LYS A 105 -16.312 1.754 44.476 1.00 0.29 C HETATM 1463 NH1 LYS A 105 -16.388 2.310 45.678 1.00 -0.28 N HETATM 1464 H45 LYS A 105 -15.714 2.046 46.411 1.00 0.26 H HETATM 1465 H46 LYS A 105 -17.120 3.006 45.878 1.00 0.26 H HETATM 1466 NH2 LYS A 105 -15.358 0.867 44.230 1.00 -0.28 N HETATM 1467 H47 LYS A 105 -15.289 0.429 43.300 1.00 0.26 H HETATM 1468 H48 LYS A 105 -14.685 0.616 44.968 1.00 0.26 H HETATM 1469 H44 LYS A 105 -17.145 1.715 42.609 1.00 0.26 H HETATM 1470 H42 LYS A 105 -18.959 2.634 44.568 1.00 0.07 H HETATM 1471 H43 LYS A 105 -17.795 3.979 44.313 1.00 0.07 H HETATM 1472 H40 LYS A 105 -18.400 4.162 42.010 1.00 0.03 H HETATM 1473 H41 LYS A 105 -19.389 2.665 42.092 1.00 0.03 H HETATM 1474 H38 LYS A 105 -20.839 3.801 43.798 1.00 0.03 H HETATM 1475 H39 LYS A 105 -19.911 5.311 43.508 1.00 0.03 H HETATM 1476 H37 LYS A 105 -21.703 3.779 41.586 1.00 0.08 H HETATM 1477 H36 LYS A 105 -19.470 5.548 40.885 1.00 0.19 H HETATM 1478 CB LYS A 105 -20.190 7.055 38.306 1.00 -0.02 C HETATM 1479 H33 LYS A 105 -19.982 7.521 39.280 1.00 0.03 H HETATM 1480 H34 LYS A 105 -21.239 7.235 38.030 1.00 0.03 H HETATM 1481 H35 LYS A 105 -19.530 7.491 37.542 1.00 0.03 H HETATM 1482 H32 LYS A 105 -18.883 5.399 38.654 1.00 0.08 H HETATM 1483 H31 LYS A 105 -21.097 4.487 36.962 1.00 0.19 H HETATM 1484 CB LYS A 105 -19.684 2.617 35.224 1.00 0.09 C HETATM 1485 OG1 LYS A 105 -18.397 2.202 35.699 1.00 -0.39 O HETATM 1486 H27 LYS A 105 -17.745 2.368 35.028 1.00 0.21 H HETATM 1487 CG2 LYS A 105 -20.075 1.792 33.999 1.00 -0.03 C HETATM 1488 H28 LYS A 105 -20.091 0.725 34.266 1.00 0.03 H HETATM 1489 H29 LYS A 105 -19.342 1.958 33.196 1.00 0.03 H HETATM 1490 H30 LYS A 105 -21.073 2.099 33.654 1.00 0.03 H HETATM 1491 H26 LYS A 105 -20.430 2.445 36.014 1.00 0.06 H HETATM 1492 H25 LYS A 105 -20.652 4.430 34.583 1.00 0.08 H HETATM 1493 H24 LYS A 105 -17.740 4.420 34.008 1.00 0.19 H HETATM 1494 CB LYS A 105 -18.282 6.308 30.903 1.00 0.00 C HETATM 1495 CG LYS A 105 -17.344 6.561 29.738 1.00 0.04 C HETATM 1496 CD LYS A 105 -15.955 6.932 30.202 1.00 0.17 C HETATM 1497 OE1 LYS A 105 -15.761 7.969 30.824 1.00 -0.40 O HETATM 1498 NE2 LYS A 105 -14.980 6.074 29.913 1.00 -0.30 N HETATM 1499 H22 LYS A 105 -14.041 6.270 30.197 1.00 0.18 H HETATM 1500 H23 LYS A 105 -15.186 5.233 29.412 1.00 0.18 H HETATM 1501 H20 LYS A 105 -17.747 7.384 29.129 1.00 0.05 H HETATM 1502 H21 LYS A 105 -17.283 5.649 29.127 1.00 0.05 H HETATM 1503 H18 LYS A 105 -18.096 7.071 31.674 1.00 0.03 H HETATM 1504 H19 LYS A 105 -19.318 6.396 30.543 1.00 0.03 H HETATM 1505 H17 LYS A 105 -17.106 4.875 31.994 1.00 0.08 H HETATM 1506 H16 LYS A 105 -18.899 4.005 29.791 1.00 0.19 H HETATM 1507 CB LYS A 105 -18.640 0.716 30.047 1.00 0.01 C HETATM 1508 CG LYS A 105 -19.415 -0.103 29.028 1.00 -0.04 C HETATM 1509 CD LYS A 105 -20.334 -1.026 29.788 1.00 -0.01 C HETATM 1510 CE LYS A 105 -21.265 -1.740 28.866 1.00 -0.04 C HETATM 1511 NZ LYS A 105 -22.310 -2.410 29.694 1.00 0.22 N HETATM 1512 H13 LYS A 105 -22.953 -2.900 29.092 1.00 0.20 H HETATM 1513 H14 LYS A 105 -22.812 -1.717 30.227 1.00 0.20 H HETATM 1514 H15 LYS A 105 -21.872 -3.065 30.322 1.00 0.20 H HETATM 1515 H11 LYS A 105 -20.711 -2.491 28.284 1.00 0.08 H HETATM 1516 H12 LYS A 105 -21.736 -1.020 28.181 1.00 0.08 H HETATM 1517 H9 LYS A 105 -20.922 -0.435 30.506 1.00 0.03 H HETATM 1518 H10 LYS A 105 -19.729 -1.767 30.332 1.00 0.03 H HETATM 1519 H7 LYS A 105 -18.719 -0.691 28.412 1.00 0.03 H HETATM 1520 H8 LYS A 105 -20.004 0.564 28.381 1.00 0.03 H HETATM 1521 H5 LYS A 105 -19.366 1.202 30.715 1.00 0.03 H HETATM 1522 H6 LYS A 105 -18.011 0.026 30.629 1.00 0.03 H HETATM 1523 H4 LYS A 105 -18.265 2.292 28.635 1.00 0.11 H HETATM 1524 H1 LYS A 105 -16.701 0.562 28.238 1.00 0.20 H HETATM 1525 H2 LYS A 105 -15.988 0.802 29.702 1.00 0.20 H HETATM 1526 H3 LYS A 105 -15.932 1.982 28.556 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 646 647 655 656 657 CONECT 655 646 CONECT 656 646 CONECT 657 646 CONECT 1395 1396 1524 1525 1526 CONECT 1396 1395 1397 1507 1523 CONECT 1397 1396 1398 1399 CONECT 1398 1397 CONECT 1399 1397 1400 1506 CONECT 1400 1399 1401 1494 1505 CONECT 1401 1400 1402 1403 CONECT 1402 1401 CONECT 1403 1401 1404 1493 CONECT 1404 1403 1405 1484 1492 CONECT 1405 1404 1406 1407 CONECT 1406 1405 CONECT 1407 1405 1408 1483 CONECT 1408 1407 1409 1478 1482 CONECT 1409 1408 1410 1411 CONECT 1410 1409 CONECT 1411 1409 1412 1477 CONECT 1412 1411 1413 1458 1476 CONECT 1413 1412 1414 1415 CONECT 1414 1413 CONECT 1415 1413 1416 1457 CONECT 1416 1415 1417 1442 1456 CONECT 1417 1416 1418 1440 1441 CONECT 1418 1417 1419 1438 1439 CONECT 1419 1418 1420 1436 1437 CONECT 1420 1419 1421 1434 1435 CONECT 1421 1420 1422 1426 1430 CONECT 1422 1421 1423 1424 1425 CONECT 1423 1422 CONECT 1424 1422 CONECT 1425 1422 CONECT 1426 1421 1427 1428 1429 CONECT 1427 1426 CONECT 1428 1426 CONECT 1429 1426 CONECT 1430 1421 1431 1432 1433 CONECT 1431 1430 CONECT 1432 1430 CONECT 1433 1430 CONECT 1434 1420 CONECT 1435 1420 CONECT 1436 1419 CONECT 1437 1419 CONECT 1438 1418 CONECT 1439 1418 CONECT 1440 1417 CONECT 1441 1417 CONECT 1442 1416 1443 1444 CONECT 1443 1442 CONECT 1444 1442 1445 1455 CONECT 1445 1444 1446 1449 1454 CONECT 1446 1445 1447 1448 CONECT 1447 1446 CONECT 1448 1446 CONECT 1449 1445 1450 1452 1453 CONECT 1450 1449 1451 CONECT 1451 1450 CONECT 1452 1449 CONECT 1453 1449 CONECT 1454 1445 CONECT 1455 1444 CONECT 1456 1416 CONECT 1457 1415 CONECT 1458 1412 1459 1474 1475 CONECT 1459 1458 1460 1472 1473 CONECT 1460 1459 1461 1470 1471 CONECT 1461 1460 1462 1469 CONECT 1462 1461 1463 1466 CONECT 1463 1462 1464 1465 CONECT 1464 1463 CONECT 1465 1463 CONECT 1466 1462 1467 1468 CONECT 1467 1466 CONECT 1468 1466 CONECT 1469 1461 CONECT 1470 1460 CONECT 1471 1460 CONECT 1472 1459 CONECT 1473 1459 CONECT 1474 1458 CONECT 1475 1458 CONECT 1476 1412 CONECT 1477 1411 CONECT 1478 1408 1479 1480 1481 CONECT 1479 1478 CONECT 1480 1478 CONECT 1481 1478 CONECT 1482 1408 CONECT 1483 1407 CONECT 1484 1404 1485 1487 1491 CONECT 1485 1484 1486 CONECT 1486 1485 CONECT 1487 1484 1488 1489 1490 CONECT 1488 1487 CONECT 1489 1487 CONECT 1490 1487 CONECT 1491 1484 CONECT 1492 1404 CONECT 1493 1403 CONECT 1494 1400 1495 1503 1504 CONECT 1495 1494 1496 1501 1502 CONECT 1496 1495 1497 1498 CONECT 1497 1496 CONECT 1498 1496 1499 1500 CONECT 1499 1498 CONECT 1500 1498 CONECT 1501 1495 CONECT 1502 1495 CONECT 1503 1494 CONECT 1504 1494 CONECT 1505 1400 CONECT 1506 1399 CONECT 1507 1396 1508 1521 1522 CONECT 1508 1507 1509 1519 1520 CONECT 1509 1508 1510 1517 1518 CONECT 1510 1509 1511 1515 1516 CONECT 1511 1510 1512 1513 1514 CONECT 1512 1511 CONECT 1513 1511 CONECT 1514 1511 CONECT 1515 1510 CONECT 1516 1510 CONECT 1517 1509 CONECT 1518 1509 CONECT 1519 1508 CONECT 1520 1508 CONECT 1521 1507 CONECT 1522 1507 CONECT 1523 1396 CONECT 1524 1395 CONECT 1525 1395 CONECT 1526 1395 MASTER 0 0 0 0 0 0 0 0 1524 2 140 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4u68
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
4u68
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Rhino chromodomain, Rhi-CD
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=49.3uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Cell Res. Vol. 25: pp. 525-528
Ligand Properties
Formula
C
3
6
H
7
3
N
1
3
O
1
1
Molecular Weight
864.045
Exact Mass
863.555
No. of atoms
133
No. of bonds
132
Polar Surface Area
416.74
LOGP Value
-5.04 (
Computed with XLOGP3
)
-4.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 38
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCC[N+](C)(C)C)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)[NH3+]
InChI String
InChI=1S/C36H69N13O11/c1-20(43-34(58)28(21(2)51)48-33(57)25(14-15-27(39)52)45-30(54)22(38)11-6-8-16-37)29(53)44-24(13-10-17-42-36(40)41)31(55)46-23(12-7-9-18-49(3,4)5)32(56)47-26(19-50)35(59)60/h20-26,28,50-51H,6-19,37-38H2,1-5H3,(H12-,39,40,41,42,43,44,45,46,47,48,52,53,54,55,56,57,58,59,60)/p+4/t20-,21+,22-,23-,24-,25-,26-,28-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q7JXA8
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
44879
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com