Browse entries in the PDBbind-CN Database
HEADER 4WYZ_COMPLEX COMPND 4WYZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 MET LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS SEQRES 2 A 125 MET ASP SER SER THR SER ALA ALA SER SER SER ASN TYR SEQRES 3 A 125 CYS ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP SEQRES 4 A 125 ARG CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU SEQRES 5 A 125 ALA ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA SEQRES 6 A 125 CYS LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER SEQRES 7 A 125 THR MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER SEQRES 8 A 125 LYS TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN SEQRES 9 A 125 LYS HIS ILE ILE VAL GLY CYS GLU GLY ASN PRO TYR VAL SEQRES 10 A 125 PRO VAL HIS PHE ASP ALA SER VAL HET U A 3P 32 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N MET A 0 15.095 -2.392 -38.987 1.00 11.28 N ATOM 2 CA MET A 0 15.776 -3.629 -38.540 1.00 10.28 C ATOM 3 C MET A 0 15.034 -4.821 -39.115 1.00 8.10 C ATOM 4 O MET A 0 13.929 -4.675 -39.633 1.00 10.23 O ATOM 5 CB MET A 0 15.795 -3.708 -37.018 1.00 9.56 C ATOM 6 CG MET A 0 14.445 -3.807 -36.367 1.00 14.54 C ATOM 7 SD MET A 0 14.616 -3.669 -34.568 1.00 14.45 S ATOM 8 CE MET A 0 12.904 -3.853 -34.113 1.00 16.35 C ATOM 9 HN3 MET A 0 14.112 -2.397 -38.647 1.00 0.00 H ATOM 10 HN2 MET A 0 15.104 -2.349 -40.026 1.00 0.00 H ATOM 11 HN1 MET A 0 15.593 -1.565 -38.600 1.00 0.00 H ATOM 12 N LYS A 1 15.642 -5.993 -38.997 1.00 6.52 N ATOM 13 CA LYS A 1 15.071 -7.254 -39.480 1.00 6.04 C ATOM 14 C LYS A 1 15.267 -8.304 -38.401 1.00 6.71 C ATOM 15 O LYS A 1 16.326 -8.362 -37.784 1.00 10.18 O ATOM 16 CB LYS A 1 15.802 -7.734 -40.737 1.00 7.17 C ATOM 17 CG LYS A 1 15.823 -6.745 -41.910 1.00 8.15 C ATOM 18 CD LYS A 1 14.465 -6.524 -42.519 1.00 7.19 C ATOM 19 CE LYS A 1 14.489 -5.434 -43.595 1.00 7.06 C ATOM 20 NZ LYS A 1 14.497 -4.068 -43.005 1.00 8.43 N ATOM 21 HZ1 LYS A 1 13.642 -3.936 -42.427 1.00 0.00 H ATOM 22 HZ2 LYS A 1 15.341 -3.954 -42.408 1.00 0.00 H ATOM 23 HZ3 LYS A 1 14.513 -3.362 -43.769 1.00 0.00 H ATOM 24 H LYS A 1 16.574 -6.019 -38.537 1.00 0.00 H ATOM 25 N GLU A 2 14.277 -9.172 -38.226 1.00 5.42 N ATOM 26 CA GLU A 2 14.385 -10.292 -37.303 1.00 6.40 C ATOM 27 C GLU A 2 14.258 -11.596 -38.077 1.00 7.80 C ATOM 28 O GLU A 2 13.264 -11.836 -38.766 1.00 8.91 O ATOM 29 CB GLU A 2 13.311 -10.237 -36.210 1.00 6.98 C ATOM 30 CG GLU A 2 13.528 -11.301 -35.117 1.00 8.67 C ATOM 31 CD GLU A 2 12.464 -11.292 -34.045 1.00 10.86 C ATOM 32 OE1 GLU A 2 12.819 -10.964 -32.898 1.00 11.72 O ATOM 33 OE2 GLU A 2 11.296 -11.643 -34.340 1.00 12.47 O ATOM 34 H GLU A 2 13.397 -9.047 -38.766 1.00 0.00 H ATOM 35 N THR A 3 15.275 -12.440 -37.968 1.00 5.70 N ATOM 36 CA THR A 3 15.238 -13.728 -38.640 1.00 5.86 C ATOM 37 C THR A 3 14.437 -14.742 -37.827 1.00 6.59 C ATOM 38 O THR A 3 14.150 -14.516 -36.658 1.00 6.15 O ATOM 39 CB THR A 3 16.641 -14.287 -38.831 1.00 6.83 C ATOM 40 OG1 THR A 3 17.212 -14.548 -37.536 1.00 8.02 O ATOM 41 CG2 THR A 3 17.519 -13.300 -39.604 1.00 6.55 C ATOM 42 HG1 THR A 3 18.126 -14.912 -37.647 1.00 0.00 H ATOM 43 H THR A 3 16.105 -12.178 -37.398 1.00 0.00 H ATOM 44 N ALA A 4 14.064 -15.854 -38.453 1.00 6.48 N ATOM 45 CA ALA A 4 13.363 -16.919 -37.749 1.00 6.41 C ATOM 46 C ALA A 4 14.193 -17.459 -36.574 1.00 6.16 C ATOM 47 O ALA A 4 13.664 -17.758 -35.493 1.00 6.66 O ATOM 48 CB ALA A 4 13.014 -18.027 -38.714 1.00 7.06 C ATOM 49 H ALA A 4 14.277 -15.966 -39.465 1.00 0.00 H ATOM 50 N ALA A 5 15.493 -17.599 -36.791 1.00 6.10 N ATOM 51 CA ALA A 5 16.385 -18.071 -35.721 1.00 7.01 C ATOM 52 C ALA A 5 16.397 -17.092 -34.551 1.00 6.60 C ATOM 53 O ALA A 5 16.408 -17.493 -33.401 1.00 6.21 O ATOM 54 CB ALA A 5 17.793 -18.284 -36.235 1.00 7.23 C ATOM 55 H ALA A 5 15.886 -17.373 -37.727 1.00 0.00 H ATOM 56 N ALA A 6 16.386 -15.801 -34.851 1.00 6.15 N ATOM 57 CA ALA A 6 16.411 -14.786 -33.797 1.00 7.38 C ATOM 58 C ALA A 6 15.103 -14.764 -33.033 1.00 6.46 C ATOM 59 O ALA A 6 15.106 -14.584 -31.824 1.00 6.24 O ATOM 60 CB ALA A 6 16.715 -13.428 -34.387 1.00 9.22 C ATOM 61 H ALA A 6 16.359 -15.506 -35.848 1.00 0.00 H ATOM 62 N LYS A 7 13.991 -14.935 -33.743 1.00 5.63 N ATOM 63 CA LYS A 7 12.682 -15.050 -33.101 1.00 6.68 C ATOM 64 C LYS A 7 12.641 -16.246 -32.165 1.00 6.35 C ATOM 65 O LYS A 7 12.079 -16.157 -31.077 1.00 5.59 O ATOM 66 CB LYS A 7 11.573 -15.138 -34.164 1.00 7.34 C ATOM 67 CG LYS A 7 10.167 -15.395 -33.614 1.00 8.59 C ATOM 68 CD LYS A 7 9.100 -15.265 -34.708 1.00 12.76 C ATOM 69 CE LYS A 7 7.690 -15.462 -34.160 1.00 17.81 C ATOM 70 NZ LYS A 7 6.609 -15.149 -35.153 1.00 21.44 N ATOM 71 HZ1 LYS A 7 6.691 -14.156 -35.451 1.00 0.00 H ATOM 72 HZ2 LYS A 7 6.710 -15.770 -35.981 1.00 0.00 H ATOM 73 HZ3 LYS A 7 5.680 -15.305 -34.713 1.00 0.00 H ATOM 74 H LYS A 7 14.054 -14.988 -34.780 1.00 0.00 H ATOM 75 N PHE A 8 13.241 -17.371 -32.562 1.00 6.34 N ATOM 76 CA PHE A 8 13.327 -18.512 -31.649 1.00 5.34 C ATOM 77 C PHE A 8 14.079 -18.133 -30.379 1.00 4.95 C ATOM 78 O PHE A 8 13.666 -18.504 -29.283 1.00 5.70 O ATOM 79 CB PHE A 8 14.004 -19.702 -32.320 1.00 4.83 C ATOM 80 CG PHE A 8 14.276 -20.848 -31.383 1.00 4.57 C ATOM 81 CD1 PHE A 8 15.460 -20.909 -30.652 1.00 5.68 C ATOM 82 CD2 PHE A 8 13.376 -21.877 -31.266 1.00 6.10 C ATOM 83 CE1 PHE A 8 15.695 -21.953 -29.759 1.00 6.01 C ATOM 84 CE2 PHE A 8 13.610 -22.932 -30.388 1.00 6.01 C ATOM 85 CZ PHE A 8 14.786 -22.974 -29.651 1.00 6.81 C ATOM 86 H PHE A 8 13.646 -17.436 -33.518 1.00 0.00 H ATOM 87 N GLU A 9 15.191 -17.408 -30.511 1.00 4.80 N ATOM 88 CA GLU A 9 15.918 -16.948 -29.327 1.00 6.15 C ATOM 89 C GLU A 9 15.051 -16.054 -28.427 1.00 5.36 C ATOM 90 O GLU A 9 14.987 -16.243 -27.199 1.00 5.93 O ATOM 91 CB GLU A 9 17.201 -16.220 -29.718 1.00 6.11 C ATOM 92 CG GLU A 9 18.242 -17.091 -30.399 1.00 6.87 C ATOM 93 CD GLU A 9 19.542 -16.353 -30.637 1.00 8.15 C ATOM 94 OE1 GLU A 9 20.115 -16.468 -31.744 1.00 10.92 O ATOM 95 OE2 GLU A 9 20.012 -15.669 -29.705 1.00 9.31 O ATOM 96 H GLU A 9 15.543 -17.169 -31.460 1.00 0.00 H ATOM 97 N ARG A 10 14.356 -15.106 -29.038 1.00 5.50 N ATOM 98 CA ARG A 10 13.491 -14.199 -28.278 1.00 5.98 C ATOM 99 C ARG A 10 12.357 -14.960 -27.568 1.00 6.60 C ATOM 100 O ARG A 10 12.037 -14.687 -26.413 1.00 6.60 O ATOM 101 CB ARG A 10 12.916 -13.129 -29.197 1.00 6.35 C ATOM 102 CG ARG A 10 11.960 -12.176 -28.495 1.00 7.00 C ATOM 103 CD ARG A 10 11.581 -10.976 -29.373 1.00 6.97 C ATOM 104 NE ARG A 10 11.026 -11.322 -30.682 1.00 8.43 N ATOM 105 CZ ARG A 10 9.792 -11.753 -30.901 1.00 10.08 C ATOM 106 NH1 ARG A 10 8.931 -11.928 -29.892 1.00 10.34 N ATOM 107 NH2 ARG A 10 9.421 -12.007 -32.146 1.00 11.87 N ATOM 108 HE ARG A 10 11.651 -11.222 -31.507 1.00 0.00 H ATOM 109 HH12 ARG A 10 7.967 -12.267 -30.084 1.00 0.00 H ATOM 110 HH11 ARG A 10 9.226 -11.725 -28.916 1.00 0.00 H ATOM 111 HH22 ARG A 10 8.458 -12.346 -32.343 1.00 0.00 H ATOM 112 HH21 ARG A 10 10.093 -11.867 -32.928 1.00 0.00 H ATOM 113 H ARG A 10 14.425 -15.004 -30.071 1.00 0.00 H ATOM 114 N GLN A 11 11.759 -15.924 -28.250 1.00 5.86 N ATOM 115 CA GLN A 11 10.626 -16.641 -27.684 1.00 6.30 C ATOM 116 C GLN A 11 10.995 -17.772 -26.731 1.00 6.19 C ATOM 117 O GLN A 11 10.165 -18.160 -25.902 1.00 8.13 O ATOM 118 CB GLN A 11 9.725 -17.207 -28.799 1.00 7.75 C ATOM 119 CG GLN A 11 9.168 -16.167 -29.753 1.00 11.21 C ATOM 120 CD GLN A 11 8.155 -16.724 -30.725 1.00 15.77 C ATOM 121 OE1 GLN A 11 8.284 -17.838 -31.233 1.00 18.63 O ATOM 122 NE2 GLN A 11 7.146 -15.933 -31.006 1.00 18.39 N ATOM 123 HE22 GLN A 11 7.076 -14.999 -30.554 1.00 0.00 H ATOM 124 HE21 GLN A 11 6.417 -16.240 -31.681 1.00 0.00 H ATOM 125 H GLN A 11 12.102 -16.172 -29.200 1.00 0.00 H ATOM 126 N HIS A 12 12.196 -18.346 -26.879 1.00 5.99 N ATOM 127 CA HIS A 12 12.488 -19.600 -26.187 1.00 5.94 C ATOM 128 C HIS A 12 13.836 -19.746 -25.477 1.00 5.78 C ATOM 129 O HIS A 12 14.049 -20.765 -24.837 1.00 8.08 O ATOM 130 CB HIS A 12 12.328 -20.769 -27.156 1.00 5.91 C ATOM 131 CG HIS A 12 10.960 -20.874 -27.735 1.00 6.73 C ATOM 132 ND1 HIS A 12 9.858 -21.206 -26.981 1.00 8.20 N ATOM 133 CD2 HIS A 12 10.509 -20.702 -29.004 1.00 5.87 C ATOM 134 CE1 HIS A 12 8.786 -21.227 -27.753 1.00 8.92 C ATOM 135 NE2 HIS A 12 9.158 -20.926 -28.989 1.00 7.83 N ATOM 136 H HIS A 12 12.917 -17.902 -27.483 1.00 0.00 H ATOM 137 N MET A 13 14.727 -18.761 -25.585 1.00 5.81 N ATOM 138 CA MET A 13 16.049 -18.850 -24.969 1.00 6.49 C ATOM 139 C MET A 13 16.199 -17.884 -23.803 1.00 6.48 C ATOM 140 O MET A 13 15.929 -16.694 -23.938 1.00 7.87 O ATOM 141 CB MET A 13 17.158 -18.549 -25.999 1.00 7.90 C ATOM 142 CG MET A 13 17.415 -19.622 -27.047 1.00 7.48 C ATOM 143 SD MET A 13 17.929 -21.215 -26.370 1.00 8.14 S ATOM 144 CE MET A 13 19.433 -20.735 -25.508 1.00 9.05 C ATOM 145 H MET A 13 14.475 -17.907 -26.122 1.00 0.00 H ATOM 146 N ASP A 14 16.660 -18.386 -22.661 1.00 6.36 N ATOM 147 CA ASP A 14 17.177 -17.507 -21.620 1.00 5.84 C ATOM 148 C ASP A 14 18.423 -18.107 -20.981 1.00 6.64 C ATOM 149 O ASP A 14 18.344 -18.790 -19.942 1.00 6.53 O ATOM 150 CB ASP A 14 16.144 -17.213 -20.542 1.00 7.22 C ATOM 151 CG ASP A 14 16.622 -16.132 -19.564 1.00 9.04 C ATOM 152 OD1 ASP A 14 17.736 -15.576 -19.768 1.00 9.60 O ATOM 153 OD2 ASP A 14 15.874 -15.808 -18.607 1.00 10.33 O ATOM 154 H ASP A 14 16.651 -19.415 -22.510 1.00 0.00 H ATOM 155 N SER A 15 19.574 -17.783 -21.564 1.00 7.98 N ATOM 156 CA SER A 15 20.858 -18.295 -21.083 1.00 8.35 C ATOM 157 C SER A 15 21.392 -17.576 -19.838 1.00 9.63 C ATOM 158 O SER A 15 22.412 -17.977 -19.279 1.00 11.85 O ATOM 159 CB SER A 15 21.891 -18.166 -22.197 1.00 9.04 C ATOM 160 OG SER A 15 21.425 -18.770 -23.392 1.00 8.76 O ATOM 161 HG SER A 15 21.251 -19.731 -23.229 1.00 0.00 H ATOM 162 H SER A 15 19.561 -17.147 -22.386 1.00 0.00 H ATOM 163 N SER A 16 20.716 -16.511 -19.421 1.00 9.57 N ATOM 164 CA SER A 16 21.205 -15.663 -18.333 1.00 11.39 C ATOM 165 C SER A 16 20.921 -16.193 -16.932 1.00 11.86 C ATOM 166 O SER A 16 21.345 -15.600 -15.947 1.00 13.69 O ATOM 167 CB SER A 16 20.643 -14.239 -18.458 1.00 14.06 C ATOM 168 OG SER A 16 19.272 -14.171 -18.081 1.00 15.46 O ATOM 169 HG SER A 16 18.740 -14.766 -18.667 1.00 0.00 H ATOM 170 H SER A 16 19.814 -16.273 -19.881 1.00 0.00 H ATOM 171 N THR A 17 20.205 -17.307 -16.845 1.00 10.32 N ATOM 172 CA THR A 17 19.861 -17.884 -15.547 1.00 10.24 C ATOM 173 C THR A 17 19.884 -19.400 -15.681 1.00 10.04 C ATOM 174 O THR A 17 19.654 -19.916 -16.774 1.00 11.31 O ATOM 175 CB THR A 17 18.482 -17.349 -15.086 1.00 12.42 C ATOM 176 OG1 THR A 17 18.203 -17.779 -13.745 1.00 14.59 O ATOM 177 CG2 THR A 17 17.369 -17.773 -16.037 1.00 13.63 C ATOM 178 HG1 THR A 17 18.904 -17.434 -13.137 1.00 0.00 H ATOM 179 H THR A 17 19.883 -17.777 -17.715 1.00 0.00 H ATOM 180 N SER A 18 20.155 -20.110 -14.584 1.00 9.30 N ATOM 181 CA SER A 18 20.250 -21.563 -14.637 1.00 9.37 C ATOM 182 C SER A 18 18.878 -22.205 -14.560 1.00 9.12 C ATOM 183 O SER A 18 18.705 -23.380 -14.919 1.00 9.63 O ATOM 184 CB SER A 18 21.130 -22.089 -13.502 1.00 11.06 C ATOM 185 OG SER A 18 20.495 -21.910 -12.256 1.00 11.85 O ATOM 186 HG SER A 18 19.636 -22.403 -12.251 1.00 0.00 H ATOM 187 H SER A 18 20.300 -19.619 -13.679 1.00 0.00 H ATOM 188 N ALA A 19 17.908 -21.426 -14.098 1.00 8.49 N ATOM 189 CA ALA A 19 16.525 -21.853 -13.962 1.00 8.90 C ATOM 190 C ALA A 19 15.670 -20.619 -13.724 1.00 10.06 C ATOM 191 O ALA A 19 16.210 -19.533 -13.498 1.00 10.37 O ATOM 192 CB ALA A 19 16.395 -22.810 -12.814 1.00 9.22 C ATOM 193 H ALA A 19 18.151 -20.455 -13.817 1.00 0.00 H ATOM 194 N ALA A 20 14.345 -20.776 -13.768 1.00 8.77 N ATOM 195 CA ALA A 20 13.439 -19.648 -13.507 1.00 10.05 C ATOM 196 C ALA A 20 13.850 -18.967 -12.210 1.00 11.06 C ATOM 197 O ALA A 20 14.038 -19.628 -11.189 1.00 12.04 O ATOM 198 CB ALA A 20 11.989 -20.098 -13.428 1.00 10.07 C ATOM 199 H ALA A 20 13.947 -21.711 -13.990 1.00 0.00 H ATOM 200 N SER A 21 13.964 -17.644 -12.242 1.00 11.54 N ATOM 201 CA SER A 21 14.581 -16.927 -11.136 1.00 11.69 C ATOM 202 C SER A 21 13.591 -16.453 -10.062 1.00 10.51 C ATOM 203 O SER A 21 13.999 -15.998 -8.998 1.00 11.35 O ATOM 204 CB SER A 21 15.373 -15.747 -11.683 1.00 13.33 C ATOM 205 OG SER A 21 14.552 -14.923 -12.478 1.00 12.36 O ATOM 206 HG SER A 21 13.802 -14.580 -11.931 1.00 0.00 H ATOM 207 H SER A 21 13.609 -17.116 -13.065 1.00 0.00 H ATOM 208 N SER A 22 12.297 -16.576 -10.326 1.00 9.74 N ATOM 209 CA SER A 22 11.279 -16.203 -9.344 1.00 8.28 C ATOM 210 C SER A 22 9.955 -16.791 -9.779 1.00 7.57 C ATOM 211 O SER A 22 9.799 -17.235 -10.927 1.00 7.84 O ATOM 212 CB SER A 22 11.109 -14.695 -9.247 1.00 9.46 C ATOM 213 OG SER A 22 10.408 -14.238 -10.380 1.00 10.80 O ATOM 214 HG SER A 22 10.919 -14.465 -11.197 1.00 0.00 H ATOM 215 H SER A 22 12.000 -16.946 -11.251 1.00 0.00 H ATOM 216 N SER A 23 8.995 -16.773 -8.865 1.00 7.89 N ATOM 217 CA SER A 23 7.658 -17.241 -9.159 1.00 7.65 C ATOM 218 C SER A 23 6.927 -16.347 -10.162 1.00 7.58 C ATOM 219 O SER A 23 5.902 -16.762 -10.735 1.00 9.70 O ATOM 220 CB SER A 23 6.862 -17.369 -7.852 1.00 9.21 C ATOM 221 OG SER A 23 6.732 -16.130 -7.198 1.00 9.69 O ATOM 222 HG SER A 23 6.215 -16.252 -6.363 1.00 0.00 H ATOM 223 H SER A 23 9.208 -16.413 -7.913 1.00 0.00 H ATOM 224 N ASN A 24 7.449 -15.140 -10.383 1.00 7.72 N ATOM 225 CA ASN A 24 6.871 -14.198 -11.338 1.00 7.68 C ATOM 226 C ASN A 24 7.606 -14.212 -12.684 1.00 6.69 C ATOM 227 O ASN A 24 7.320 -13.394 -13.557 1.00 8.00 O ATOM 228 CB ASN A 24 6.945 -12.771 -10.801 1.00 9.17 C ATOM 229 CG ASN A 24 5.862 -11.882 -11.383 1.00 10.25 C ATOM 230 OD1 ASN A 24 4.709 -12.292 -11.474 1.00 10.51 O ATOM 231 ND2 ASN A 24 6.234 -10.675 -11.817 1.00 11.48 N ATOM 232 HD22 ASN A 24 7.223 -10.369 -11.719 1.00 0.00 H ATOM 233 HD21 ASN A 24 5.534 -10.041 -12.253 1.00 0.00 H ATOM 234 H ASN A 24 8.300 -14.859 -9.855 1.00 0.00 H ATOM 235 N TYR A 25 8.548 -15.135 -12.836 1.00 7.45 N ATOM 236 CA TYR A 25 9.429 -15.172 -14.002 1.00 7.26 C ATOM 237 C TYR A 25 8.637 -15.204 -15.297 1.00 7.33 C ATOM 238 O TYR A 25 8.885 -14.415 -16.210 1.00 7.81 O ATOM 239 CB TYR A 25 10.361 -16.382 -13.907 1.00 7.02 C ATOM 240 CG TYR A 25 11.273 -16.578 -15.114 1.00 8.17 C ATOM 241 CD1 TYR A 25 12.466 -15.892 -15.235 1.00 8.83 C ATOM 242 CD2 TYR A 25 10.921 -17.449 -16.118 1.00 8.65 C ATOM 243 CE1 TYR A 25 13.282 -16.078 -16.328 1.00 8.50 C ATOM 244 CE2 TYR A 25 11.711 -17.643 -17.212 1.00 8.46 C ATOM 245 CZ TYR A 25 12.900 -16.970 -17.323 1.00 8.55 C ATOM 246 OH TYR A 25 13.689 -17.172 -18.444 1.00 8.76 O ATOM 247 HH TYR A 25 14.507 -16.619 -18.374 1.00 0.00 H ATOM 248 H TYR A 25 8.664 -15.859 -12.098 1.00 0.00 H ATOM 249 N CYS A 26 7.680 -16.113 -15.382 1.00 7.29 N ATOM 250 CA CYS A 26 6.880 -16.212 -16.593 1.00 8.00 C ATOM 251 C CYS A 26 6.046 -14.972 -16.889 1.00 9.50 C ATOM 252 O CYS A 26 5.993 -14.532 -18.032 1.00 10.32 O ATOM 253 CB CYS A 26 6.004 -17.461 -16.555 1.00 8.50 C ATOM 254 SG CYS A 26 6.956 -18.976 -16.774 1.00 11.62 S ATOM 255 H CYS A 26 7.500 -16.756 -14.585 1.00 0.00 H ATOM 256 N ASN A 27 5.398 -14.386 -15.879 1.00 8.99 N ATOM 257 CA ASN A 27 4.658 -13.152 -16.126 1.00 9.46 C ATOM 258 C ASN A 27 5.553 -12.085 -16.733 1.00 10.23 C ATOM 259 O ASN A 27 5.183 -11.418 -17.702 1.00 11.63 O ATOM 260 CB ASN A 27 4.002 -12.619 -14.851 1.00 9.81 C ATOM 261 CG ASN A 27 2.835 -13.464 -14.401 1.00 12.59 C ATOM 262 OD1 ASN A 27 2.102 -14.001 -15.215 1.00 14.13 O ATOM 263 ND2 ASN A 27 2.670 -13.605 -13.103 1.00 14.45 N ATOM 264 HD22 ASN A 27 3.317 -13.130 -12.442 1.00 0.00 H ATOM 265 HD21 ASN A 27 1.892 -14.191 -12.738 1.00 0.00 H ATOM 266 H ASN A 27 5.420 -14.804 -14.927 1.00 0.00 H ATOM 267 N GLN A 28 6.741 -11.949 -16.165 1.00 9.31 N ATOM 268 CA GLN A 28 7.702 -10.943 -16.595 1.00 8.94 C ATOM 269 C GLN A 28 8.237 -11.225 -17.999 1.00 9.43 C ATOM 270 O GLN A 28 8.247 -10.343 -18.851 1.00 11.12 O ATOM 271 CB GLN A 28 8.829 -10.871 -15.569 1.00 10.69 C ATOM 272 CG GLN A 28 8.339 -10.254 -14.289 1.00 12.36 C ATOM 273 CD GLN A 28 9.389 -10.113 -13.212 1.00 14.02 C ATOM 274 OE1 GLN A 28 9.093 -9.544 -12.169 1.00 14.55 O ATOM 275 NE2 GLN A 28 10.618 -10.614 -13.446 1.00 15.57 N ATOM 276 HE22 GLN A 28 10.823 -11.090 -14.348 1.00 0.00 H ATOM 277 HE21 GLN A 28 11.362 -10.525 -12.725 1.00 0.00 H ATOM 278 H GLN A 28 6.998 -12.584 -15.383 1.00 0.00 H ATOM 279 N MET A 29 8.658 -12.457 -18.243 1.00 9.47 N ATOM 280 CA MET A 29 9.245 -12.834 -19.530 1.00 9.43 C ATOM 281 C MET A 29 8.239 -12.865 -20.682 1.00 8.85 C ATOM 282 O MET A 29 8.562 -12.463 -21.801 1.00 9.26 O ATOM 283 CB MET A 29 9.942 -14.186 -19.402 1.00 9.13 C ATOM 284 CG MET A 29 11.147 -14.159 -18.492 1.00 12.23 C ATOM 285 SD MET A 29 12.523 -13.264 -19.213 1.00 16.23 S ATOM 286 CE MET A 29 12.976 -14.405 -20.521 1.00 16.16 C ATOM 287 H MET A 29 8.569 -13.178 -17.498 1.00 0.00 H ATOM 288 N MET A 30 7.017 -13.333 -20.435 1.00 8.81 N ATOM 289 CA MET A 30 6.041 -13.363 -21.511 1.00 8.89 C ATOM 290 C MET A 30 5.766 -11.951 -21.997 1.00 9.91 C ATOM 291 O MET A 30 5.542 -11.732 -23.184 1.00 11.36 O ATOM 292 CB MET A 30 4.750 -14.049 -21.088 1.00 8.53 C ATOM 293 CG MET A 30 4.945 -15.534 -20.780 1.00 9.40 C ATOM 294 SD MET A 30 5.431 -16.546 -22.185 1.00 10.96 S ATOM 295 CE MET A 30 3.899 -16.580 -23.125 1.00 11.40 C ATOM 296 H MET A 30 6.765 -13.672 -19.485 1.00 0.00 H ATOM 297 N LYS A 31 5.775 -10.996 -21.075 1.00 10.68 N ATOM 298 CA LYS A 31 5.623 -9.591 -21.428 1.00 11.73 C ATOM 299 C LYS A 31 6.868 -9.027 -22.095 1.00 12.79 C ATOM 300 O LYS A 31 6.784 -8.476 -23.195 1.00 14.12 O ATOM 301 CB LYS A 31 5.275 -8.768 -20.185 1.00 11.25 C ATOM 302 CG LYS A 31 4.837 -7.340 -20.523 1.00 31.88 C ATOM 303 CD LYS A 31 4.084 -6.680 -19.369 1.00 36.30 C ATOM 304 H LYS A 31 5.894 -11.258 -20.075 1.00 0.00 H ATOM 305 N SER A 32 8.028 -9.185 -21.460 1.00 11.95 N ATOM 306 CA SER A 32 9.228 -8.521 -21.957 1.00 11.75 C ATOM 307 C SER A 32 9.712 -9.056 -23.312 1.00 10.75 C ATOM 308 O SER A 32 10.354 -8.321 -24.066 1.00 12.08 O ATOM 309 CB SER A 32 10.350 -8.598 -20.930 1.00 13.76 C ATOM 310 OG SER A 32 10.837 -9.907 -20.824 1.00 15.77 O ATOM 311 HG SER A 32 11.564 -9.934 -20.153 1.00 0.00 H ATOM 312 H SER A 32 8.078 -9.782 -20.610 1.00 0.00 H ATOM 313 N ARG A 33 9.399 -10.311 -23.627 1.00 9.64 N ATOM 314 CA ARG A 33 9.809 -10.898 -24.901 1.00 9.21 C ATOM 315 C ARG A 33 8.721 -10.717 -25.961 1.00 11.85 C ATOM 316 O ARG A 33 8.833 -11.240 -27.074 1.00 12.27 O ATOM 317 CB ARG A 33 10.143 -12.384 -24.725 1.00 8.35 C ATOM 318 CG ARG A 33 11.330 -12.679 -23.780 1.00 6.66 C ATOM 319 CD ARG A 33 12.636 -12.151 -24.359 1.00 6.78 C ATOM 320 NE ARG A 33 13.802 -12.517 -23.559 1.00 8.31 N ATOM 321 CZ ARG A 33 14.448 -13.678 -23.643 1.00 8.21 C ATOM 322 NH1 ARG A 33 14.035 -14.623 -24.460 1.00 8.60 N ATOM 323 NH2 ARG A 33 15.503 -13.912 -22.873 1.00 9.57 N ATOM 324 HE ARG A 33 14.154 -11.819 -22.873 1.00 0.00 H ATOM 325 HH12 ARG A 33 14.550 -15.525 -24.515 1.00 0.00 H ATOM 326 HH11 ARG A 33 13.193 -14.468 -25.051 1.00 0.00 H ATOM 327 HH22 ARG A 33 16.005 -14.820 -22.941 1.00 0.00 H ATOM 328 HH21 ARG A 33 15.828 -13.187 -22.201 1.00 0.00 H ATOM 329 H ARG A 33 8.852 -10.885 -22.954 1.00 0.00 H ATOM 330 N ASN A 34 7.674 -9.964 -25.612 1.00 13.29 N ATOM 331 CA ASN A 34 6.614 -9.601 -26.555 1.00 15.86 C ATOM 332 C ASN A 34 5.825 -10.785 -27.093 1.00 15.75 C ATOM 333 O ASN A 34 5.539 -10.863 -28.287 1.00 17.76 O ATOM 334 CB ASN A 34 7.182 -8.771 -27.715 1.00 17.73 C ATOM 335 CG ASN A 34 7.647 -7.407 -27.267 1.00 23.27 C ATOM 336 OD1 ASN A 34 7.073 -6.810 -26.358 1.00 25.11 O ATOM 337 ND2 ASN A 34 8.687 -6.903 -27.900 1.00 26.39 N ATOM 338 HD22 ASN A 34 9.143 -7.443 -28.663 1.00 0.00 H ATOM 339 HD21 ASN A 34 9.052 -5.966 -27.636 1.00 0.00 H ATOM 340 H ASN A 34 7.609 -9.622 -24.632 1.00 0.00 H ATOM 341 N LEU A 35 5.431 -11.681 -26.200 1.00 15.11 N ATOM 342 CA LEU A 35 4.754 -12.907 -26.596 1.00 17.83 C ATOM 343 C LEU A 35 3.243 -12.851 -26.366 1.00 22.42 C ATOM 344 O LEU A 35 2.534 -13.811 -26.683 1.00 25.75 O ATOM 345 CB LEU A 35 5.353 -14.087 -25.839 1.00 16.58 C ATOM 346 CG LEU A 35 6.883 -14.146 -25.946 1.00 16.56 C ATOM 347 CD1 LEU A 35 7.400 -15.380 -25.272 1.00 17.18 C ATOM 348 CD2 LEU A 35 7.362 -14.048 -27.405 1.00 17.55 C ATOM 349 H LEU A 35 5.610 -11.504 -25.191 1.00 0.00 H ATOM 350 N THR A 36 2.753 -11.736 -25.835 1.00 22.04 N ATOM 351 CA THR A 36 1.328 -11.609 -25.501 1.00 25.89 C ATOM 352 C THR A 36 0.685 -10.360 -26.094 1.00 30.30 C ATOM 353 O THR A 36 -0.235 -9.797 -25.501 1.00 30.64 O ATOM 354 CB THR A 36 1.117 -11.559 -23.978 1.00 26.79 C ATOM 355 OG1 THR A 36 1.764 -10.396 -23.445 1.00 27.38 O ATOM 356 CG2 THR A 36 1.673 -12.818 -23.297 1.00 27.93 C ATOM 357 HG1 THR A 36 1.628 -10.364 -22.465 1.00 0.00 H ATOM 358 H THR A 36 3.392 -10.936 -25.652 1.00 0.00 H ATOM 359 N LYS A 37 1.145 -9.945 -27.270 1.00 33.68 N ATOM 360 CA LYS A 37 0.672 -8.704 -27.885 1.00 37.82 C ATOM 361 C LYS A 37 -0.838 -8.678 -28.154 1.00 41.71 C ATOM 362 O LYS A 37 -1.531 -7.739 -27.747 1.00 41.20 O ATOM 363 CB LYS A 37 1.429 -8.446 -29.191 1.00 38.18 C ATOM 364 H LYS A 37 1.859 -10.516 -27.765 1.00 0.00 H ATOM 365 N ASP A 38 -1.347 -9.702 -28.836 1.00 46.15 N ATOM 366 CA ASP A 38 -2.731 -9.692 -29.319 1.00 52.33 C ATOM 367 C ASP A 38 -3.631 -10.666 -28.559 1.00 47.69 C ATOM 368 O ASP A 38 -4.845 -10.491 -28.506 1.00 47.80 O ATOM 369 CB ASP A 38 -2.757 -10.033 -30.810 1.00 63.10 C ATOM 370 CG ASP A 38 -1.645 -9.349 -31.586 1.00 58.54 C ATOM 371 OD1 ASP A 38 -1.351 -8.168 -31.299 1.00 67.35 O ATOM 372 OD2 ASP A 38 -1.059 -9.998 -32.480 1.00 78.27 O ATOM 373 H ASP A 38 -0.748 -10.529 -29.031 1.00 0.00 H ATOM 374 N ARG A 39 -3.030 -11.698 -27.983 1.00 42.67 N ATOM 375 CA ARG A 39 -3.764 -12.680 -27.200 1.00 38.70 C ATOM 376 C ARG A 39 -2.788 -13.334 -26.236 1.00 33.58 C ATOM 377 O ARG A 39 -1.576 -13.251 -26.430 1.00 32.51 O ATOM 378 CB ARG A 39 -4.392 -13.737 -28.110 1.00 40.35 C ATOM 379 CG ARG A 39 -3.390 -14.548 -28.926 1.00 56.19 C ATOM 380 CD ARG A 39 -4.092 -15.535 -29.855 1.00 40.77 C ATOM 381 H ARG A 39 -2.002 -11.809 -28.094 1.00 0.00 H ATOM 382 N CYS A 40 -3.302 -13.976 -25.193 1.00 29.50 N ATOM 383 CA CYS A 40 -2.432 -14.729 -24.299 1.00 26.31 C ATOM 384 C CYS A 40 -1.999 -16.002 -25.001 1.00 26.38 C ATOM 385 O CYS A 40 -2.803 -16.679 -25.629 1.00 27.00 O ATOM 386 CB CYS A 40 -3.148 -15.086 -22.999 1.00 24.08 C ATOM 387 SG CYS A 40 -3.843 -13.663 -22.134 1.00 22.24 S ATOM 388 H CYS A 40 -4.326 -13.941 -25.014 1.00 0.00 H ATOM 389 N LYS A 41 -0.719 -16.314 -24.911 1.00 26.14 N ATOM 390 CA LYS A 41 -0.215 -17.576 -25.412 1.00 25.37 C ATOM 391 C LYS A 41 -0.417 -18.607 -24.300 1.00 24.71 C ATOM 392 O LYS A 41 0.034 -18.387 -23.181 1.00 25.40 O ATOM 393 CB LYS A 41 1.264 -17.407 -25.756 1.00 25.76 C ATOM 394 CG LYS A 41 1.924 -18.609 -26.368 1.00 26.46 C ATOM 395 CD LYS A 41 3.252 -18.232 -26.995 1.00 27.02 C ATOM 396 CE LYS A 41 3.813 -19.384 -27.820 1.00 27.50 C ATOM 397 NZ LYS A 41 5.111 -19.048 -28.453 1.00 29.06 N ATOM 398 HZ1 LYS A 41 4.986 -18.231 -29.085 1.00 0.00 H ATOM 399 HZ2 LYS A 41 5.805 -18.814 -27.715 1.00 0.00 H ATOM 400 HZ3 LYS A 41 5.449 -19.864 -29.002 1.00 0.00 H ATOM 401 H LYS A 41 -0.060 -15.640 -24.472 1.00 0.00 H ATOM 402 N PRO A 42 -1.100 -19.725 -24.585 1.00 23.90 N ATOM 403 CA PRO A 42 -1.405 -20.680 -23.506 1.00 24.07 C ATOM 404 C PRO A 42 -0.185 -21.362 -22.872 1.00 22.39 C ATOM 405 O PRO A 42 -0.180 -21.593 -21.663 1.00 21.98 O ATOM 406 CB PRO A 42 -2.302 -21.719 -24.192 1.00 24.83 C ATOM 407 CG PRO A 42 -2.080 -21.540 -25.643 1.00 25.78 C ATOM 408 CD PRO A 42 -1.775 -20.092 -25.842 1.00 24.79 C ATOM 409 N VAL A 43 0.818 -21.702 -23.671 1.00 20.46 N ATOM 410 CA VAL A 43 2.032 -22.301 -23.135 1.00 18.89 C ATOM 411 C VAL A 43 3.245 -21.795 -23.896 1.00 15.43 C ATOM 412 O VAL A 43 3.206 -21.621 -25.114 1.00 17.21 O ATOM 413 CB VAL A 43 2.034 -23.855 -23.188 1.00 23.40 C ATOM 414 CG1 VAL A 43 1.837 -24.339 -24.580 1.00 24.16 C ATOM 415 CG2 VAL A 43 3.367 -24.412 -22.626 1.00 26.01 C ATOM 416 H VAL A 43 0.736 -21.538 -24.695 1.00 0.00 H ATOM 417 N ASN A 44 4.329 -21.583 -23.173 1.00 12.23 N ATOM 418 CA ASN A 44 5.589 -21.223 -23.796 1.00 10.74 C ATOM 419 C ASN A 44 6.747 -21.714 -22.948 1.00 10.25 C ATOM 420 O ASN A 44 6.723 -21.584 -21.738 1.00 13.03 O ATOM 421 CB ASN A 44 5.680 -19.712 -23.964 1.00 10.30 C ATOM 422 CG ASN A 44 6.796 -19.300 -24.883 1.00 10.12 C ATOM 423 OD1 ASN A 44 6.711 -19.474 -26.099 1.00 12.36 O ATOM 424 ND2 ASN A 44 7.857 -18.758 -24.314 1.00 9.64 N ATOM 425 HD22 ASN A 44 7.885 -18.630 -23.282 1.00 0.00 H ATOM 426 HD21 ASN A 44 8.664 -18.459 -24.898 1.00 0.00 H ATOM 427 H ASN A 44 4.279 -21.676 -22.138 1.00 0.00 H ATOM 428 N THR A 45 7.745 -22.296 -23.597 1.00 8.95 N ATOM 429 CA THR A 45 8.909 -22.832 -22.918 1.00 6.71 C ATOM 430 C THR A 45 10.139 -21.960 -23.137 1.00 6.72 C ATOM 431 O THR A 45 10.419 -21.545 -24.273 1.00 7.13 O ATOM 432 CB THR A 45 9.207 -24.227 -23.453 1.00 7.99 C ATOM 433 OG1 THR A 45 8.017 -25.012 -23.365 1.00 9.96 O ATOM 434 CG2 THR A 45 10.335 -24.884 -22.683 1.00 8.42 C ATOM 435 HG1 THR A 45 7.729 -25.067 -22.420 1.00 0.00 H ATOM 436 H THR A 45 7.691 -22.371 -24.633 1.00 0.00 H ATOM 437 N PHE A 46 10.861 -21.689 -22.048 1.00 6.64 N ATOM 438 CA PHE A 46 12.169 -21.049 -22.125 1.00 5.31 C ATOM 439 C PHE A 46 13.255 -22.049 -21.742 1.00 6.88 C ATOM 440 O PHE A 46 13.080 -22.868 -20.837 1.00 7.42 O ATOM 441 CB PHE A 46 12.249 -19.842 -21.191 1.00 6.79 C ATOM 442 CG PHE A 46 11.402 -18.706 -21.612 1.00 7.29 C ATOM 443 CD1 PHE A 46 11.816 -17.847 -22.620 1.00 7.82 C ATOM 444 CD2 PHE A 46 10.184 -18.492 -21.003 1.00 8.07 C ATOM 445 CE1 PHE A 46 11.023 -16.798 -23.023 1.00 8.16 C ATOM 446 CE2 PHE A 46 9.390 -17.439 -21.387 1.00 8.01 C ATOM 447 CZ PHE A 46 9.807 -16.585 -22.404 1.00 7.49 C ATOM 448 H PHE A 46 10.479 -21.942 -21.115 1.00 0.00 H ATOM 449 N VAL A 47 14.375 -21.986 -22.449 1.00 6.07 N ATOM 450 CA VAL A 47 15.474 -22.927 -22.233 1.00 6.30 C ATOM 451 C VAL A 47 16.661 -22.218 -21.595 1.00 5.80 C ATOM 452 O VAL A 47 17.148 -21.206 -22.106 1.00 6.69 O ATOM 453 CB VAL A 47 15.895 -23.580 -23.569 1.00 6.13 C ATOM 454 CG1 VAL A 47 16.970 -24.636 -23.337 1.00 5.50 C ATOM 455 CG2 VAL A 47 14.686 -24.187 -24.269 1.00 5.82 C ATOM 456 H VAL A 47 14.475 -21.249 -23.176 1.00 0.00 H ATOM 457 N HIS A 48 17.097 -22.751 -20.459 1.00 5.99 N ATOM 458 CA HIS A 48 18.193 -22.187 -19.687 1.00 5.70 C ATOM 459 C HIS A 48 19.501 -22.924 -19.948 1.00 6.72 C ATOM 460 O HIS A 48 20.027 -23.648 -19.100 1.00 8.35 O ATOM 461 CB HIS A 48 17.813 -22.259 -18.221 1.00 5.55 C ATOM 462 CG HIS A 48 16.489 -21.626 -17.923 1.00 8.06 C ATOM 463 ND1 HIS A 48 16.246 -20.296 -18.157 1.00 9.75 N ATOM 464 CD2 HIS A 48 15.324 -22.149 -17.465 1.00 7.61 C ATOM 465 CE1 HIS A 48 14.997 -20.010 -17.821 1.00 10.61 C ATOM 466 NE2 HIS A 48 14.418 -21.114 -17.390 1.00 8.34 N ATOM 467 H HIS A 48 16.633 -23.612 -20.105 1.00 0.00 H ATOM 468 N GLU A 49 20.000 -22.765 -21.161 1.00 6.52 N ATOM 469 CA GLU A 49 21.232 -23.412 -21.581 1.00 6.44 C ATOM 470 C GLU A 49 21.922 -22.431 -22.494 1.00 6.71 C ATOM 471 O GLU A 49 21.309 -21.460 -22.940 1.00 7.27 O ATOM 472 CB GLU A 49 20.936 -24.715 -22.336 1.00 7.25 C ATOM 473 CG GLU A 49 20.180 -25.760 -21.537 1.00 8.08 C ATOM 474 CD GLU A 49 20.971 -26.363 -20.387 1.00 8.97 C ATOM 475 OE1 GLU A 49 22.217 -26.189 -20.318 1.00 9.60 O ATOM 476 OE2 GLU A 49 20.323 -27.021 -19.551 1.00 9.10 O ATOM 477 H GLU A 49 19.495 -22.157 -21.837 1.00 0.00 H ATOM 478 N SER A 50 23.188 -22.682 -22.804 1.00 7.55 N ATOM 479 CA SER A 50 23.897 -21.778 -23.696 1.00 8.70 C ATOM 480 C SER A 50 23.301 -21.866 -25.095 1.00 8.26 C ATOM 481 O SER A 50 22.762 -22.894 -25.493 1.00 6.93 O ATOM 482 CB SER A 50 25.382 -22.111 -23.744 1.00 10.71 C ATOM 483 OG SER A 50 25.594 -23.328 -24.445 1.00 11.45 O ATOM 484 HG SER A 50 26.563 -23.530 -24.467 1.00 0.00 H ATOM 485 H SER A 50 23.668 -23.517 -22.413 1.00 0.00 H ATOM 486 N LEU A 51 23.382 -20.778 -25.839 1.00 9.34 N ATOM 487 CA LEU A 51 22.929 -20.790 -27.210 1.00 9.26 C ATOM 488 C LEU A 51 23.636 -21.880 -28.018 1.00 10.37 C ATOM 489 O LEU A 51 23.000 -22.598 -28.779 1.00 9.89 O ATOM 490 CB LEU A 51 23.130 -19.417 -27.837 1.00 10.68 C ATOM 491 CG LEU A 51 22.569 -19.237 -29.244 1.00 11.84 C ATOM 492 CD1 LEU A 51 21.100 -19.577 -29.332 1.00 13.72 C ATOM 493 CD2 LEU A 51 22.834 -17.789 -29.667 1.00 12.69 C ATOM 494 H LEU A 51 23.776 -19.905 -25.434 1.00 0.00 H ATOM 495 N ALA A 52 24.942 -22.027 -27.824 1.00 10.08 N ATOM 496 CA ALA A 52 25.702 -23.047 -28.550 1.00 11.10 C ATOM 497 C ALA A 52 25.141 -24.453 -28.286 1.00 10.29 C ATOM 498 O ALA A 52 25.008 -25.258 -29.194 1.00 10.64 O ATOM 499 CB ALA A 52 27.154 -23.009 -28.148 1.00 11.77 C ATOM 500 H ALA A 52 25.432 -21.409 -27.146 1.00 0.00 H ATOM 501 N ASP A 53 24.804 -24.737 -27.033 1.00 9.46 N ATOM 502 CA ASP A 53 24.282 -26.059 -26.684 1.00 9.24 C ATOM 503 C ASP A 53 22.891 -26.319 -27.266 1.00 8.64 C ATOM 504 O ASP A 53 22.584 -27.449 -27.639 1.00 9.34 O ATOM 505 CB ASP A 53 24.254 -26.254 -25.170 1.00 9.22 C ATOM 506 CG ASP A 53 25.633 -26.523 -24.584 1.00 11.14 C ATOM 507 OD1 ASP A 53 26.559 -26.894 -25.346 1.00 13.63 O ATOM 508 OD2 ASP A 53 25.783 -26.403 -23.351 1.00 13.12 O ATOM 509 H ASP A 53 24.912 -24.014 -26.294 1.00 0.00 H ATOM 510 N VAL A 54 22.046 -25.292 -27.348 1.00 7.13 N ATOM 511 CA VAL A 54 20.744 -25.463 -27.977 1.00 6.27 C ATOM 512 C VAL A 54 20.879 -25.561 -29.509 1.00 6.81 C ATOM 513 O VAL A 54 20.238 -26.408 -30.132 1.00 7.19 O ATOM 514 CB VAL A 54 19.763 -24.356 -27.556 1.00 5.84 C ATOM 515 CG1 VAL A 54 18.441 -24.521 -28.267 1.00 6.74 C ATOM 516 CG2 VAL A 54 19.566 -24.400 -26.054 1.00 7.18 C ATOM 517 H VAL A 54 22.317 -24.365 -26.962 1.00 0.00 H ATOM 518 N GLN A 55 21.734 -24.737 -30.116 1.00 7.76 N ATOM 519 CA GLN A 55 21.946 -24.819 -31.560 1.00 8.24 C ATOM 520 C GLN A 55 22.468 -26.179 -31.957 1.00 9.02 C ATOM 521 O GLN A 55 22.124 -26.688 -33.021 1.00 11.18 O ATOM 522 CB GLN A 55 22.915 -23.750 -32.046 1.00 9.09 C ATOM 523 CG GLN A 55 22.373 -22.339 -31.943 1.00 10.15 C ATOM 524 CD GLN A 55 23.428 -21.294 -32.266 1.00 13.67 C ATOM 525 OE1 GLN A 55 24.635 -21.546 -32.156 1.00 18.31 O ATOM 526 NE2 GLN A 55 22.981 -20.113 -32.656 1.00 13.04 N ATOM 527 HE22 GLN A 55 21.958 -19.944 -32.735 1.00 0.00 H ATOM 528 HE21 GLN A 55 23.652 -19.352 -32.884 1.00 0.00 H ATOM 529 H GLN A 55 22.254 -24.030 -29.558 1.00 0.00 H ATOM 530 N ALA A 56 23.281 -26.777 -31.094 1.00 9.77 N ATOM 531 CA ALA A 56 23.842 -28.085 -31.381 1.00 10.81 C ATOM 532 C ALA A 56 22.772 -29.165 -31.557 1.00 10.17 C ATOM 533 O ALA A 56 23.037 -30.204 -32.154 1.00 9.87 O ATOM 534 CB ALA A 56 24.814 -28.481 -30.295 1.00 11.60 C ATOM 535 H ALA A 56 23.519 -26.302 -30.200 1.00 0.00 H ATOM 536 N VAL A 57 21.580 -28.950 -31.005 1.00 9.07 N ATOM 537 CA VAL A 57 20.517 -29.949 -31.120 1.00 8.47 C ATOM 538 C VAL A 57 20.167 -30.244 -32.590 1.00 10.16 C ATOM 539 O VAL A 57 19.741 -31.353 -32.924 1.00 8.81 O ATOM 540 CB VAL A 57 19.280 -29.513 -30.313 1.00 8.62 C ATOM 541 CG1 VAL A 57 18.130 -30.495 -30.500 1.00 9.22 C ATOM 542 CG2 VAL A 57 19.664 -29.380 -28.848 1.00 7.45 C ATOM 543 H VAL A 57 21.403 -28.065 -30.488 1.00 0.00 H ATOM 544 N CYS A 58 20.374 -29.258 -33.458 1.00 10.57 N ATOM 545 CA CYS A 58 20.099 -29.423 -34.887 1.00 10.62 C ATOM 546 C CYS A 58 21.010 -30.445 -35.583 1.00 12.76 C ATOM 547 O CYS A 58 20.799 -30.763 -36.749 1.00 13.39 O ATOM 548 CB CYS A 58 20.163 -28.072 -35.614 1.00 10.61 C ATOM 549 SG CYS A 58 18.945 -26.903 -35.042 1.00 11.26 S ATOM 550 H CYS A 58 20.740 -28.348 -33.114 1.00 0.00 H ATOM 551 N SER A 59 22.020 -30.935 -34.869 1.00 13.52 N ATOM 552 CA SER A 59 22.888 -31.991 -35.380 1.00 14.83 C ATOM 553 C SER A 59 22.733 -33.273 -34.565 1.00 14.77 C ATOM 554 O SER A 59 23.605 -34.153 -34.608 1.00 17.06 O ATOM 555 CB SER A 59 24.343 -31.527 -35.384 1.00 16.40 C ATOM 556 OG SER A 59 24.786 -31.228 -34.081 1.00 18.08 O ATOM 557 HG SER A 59 24.225 -30.507 -33.700 1.00 0.00 H ATOM 558 H SER A 59 22.196 -30.554 -33.918 1.00 0.00 H ATOM 559 N GLN A 60 21.616 -33.388 -33.837 1.00 11.46 N ATOM 560 CA GLN A 60 21.394 -34.545 -32.955 1.00 10.60 C ATOM 561 C GLN A 60 20.319 -35.482 -33.505 1.00 11.52 C ATOM 562 O GLN A 60 20.399 -35.850 -34.665 1.00 13.02 O ATOM 563 CB GLN A 60 21.168 -34.076 -31.517 1.00 10.51 C ATOM 564 CG GLN A 60 22.449 -33.417 -30.983 1.00 10.44 C ATOM 565 CD GLN A 60 22.323 -32.769 -29.620 1.00 11.26 C ATOM 566 OE1 GLN A 60 21.405 -33.031 -28.867 1.00 10.66 O ATOM 567 NE2 GLN A 60 23.264 -31.895 -29.313 1.00 13.52 N ATOM 568 HE22 GLN A 60 24.032 -31.700 -29.986 1.00 0.00 H ATOM 569 HE21 GLN A 60 23.237 -31.402 -28.398 1.00 0.00 H ATOM 570 H GLN A 60 20.891 -32.645 -33.896 1.00 0.00 H ATOM 571 N LYS A 61 19.325 -35.874 -32.719 1.00 12.09 N ATOM 572 CA LYS A 61 18.432 -36.967 -33.120 1.00 13.78 C ATOM 573 C LYS A 61 17.271 -36.481 -33.987 1.00 14.40 C ATOM 574 O LYS A 61 16.363 -35.823 -33.504 1.00 12.69 O ATOM 575 CB LYS A 61 17.895 -37.659 -31.862 1.00 13.89 C ATOM 576 CG LYS A 61 16.992 -38.853 -32.100 1.00 15.72 C ATOM 577 CD LYS A 61 16.874 -39.740 -30.831 1.00 16.67 C ATOM 578 CE LYS A 61 16.379 -38.976 -29.623 1.00 16.95 C ATOM 579 NZ LYS A 61 16.056 -39.875 -28.446 1.00 16.27 N ATOM 580 HZ1 LYS A 61 15.314 -40.550 -28.720 1.00 0.00 H ATOM 581 HZ2 LYS A 61 16.911 -40.395 -28.163 1.00 0.00 H ATOM 582 HZ3 LYS A 61 15.722 -39.295 -27.650 1.00 0.00 H ATOM 583 H LYS A 61 19.176 -35.400 -31.805 1.00 0.00 H ATOM 584 N ASN A 62 17.302 -36.812 -35.271 1.00 16.13 N ATOM 585 CA ASN A 62 16.212 -36.459 -36.163 1.00 18.03 C ATOM 586 C ASN A 62 14.959 -37.214 -35.726 1.00 19.84 C ATOM 587 O ASN A 62 14.994 -38.436 -35.536 1.00 23.07 O ATOM 588 CB ASN A 62 16.607 -36.796 -37.607 1.00 19.98 C ATOM 589 CG ASN A 62 15.684 -36.197 -38.646 1.00 21.83 C ATOM 590 OD1 ASN A 62 15.036 -35.164 -38.436 1.00 23.59 O ATOM 591 ND2 ASN A 62 15.649 -36.836 -39.812 1.00 23.20 N ATOM 592 HD22 ASN A 62 16.209 -37.702 -39.948 1.00 0.00 H ATOM 593 HD21 ASN A 62 15.062 -36.470 -40.588 1.00 0.00 H ATOM 594 H ASN A 62 18.121 -37.333 -35.645 1.00 0.00 H ATOM 595 N VAL A 63 13.868 -36.483 -35.533 1.00 20.47 N ATOM 596 CA VAL A 63 12.597 -37.065 -35.130 1.00 20.30 C ATOM 597 C VAL A 63 11.477 -36.365 -35.895 1.00 21.75 C ATOM 598 O VAL A 63 11.698 -35.318 -36.515 1.00 20.54 O ATOM 599 CB VAL A 63 12.356 -36.927 -33.612 1.00 20.52 C ATOM 600 CG1 VAL A 63 13.425 -37.691 -32.820 1.00 21.26 C ATOM 601 CG2 VAL A 63 12.341 -35.462 -33.187 1.00 20.32 C ATOM 602 H VAL A 63 13.924 -35.454 -35.675 1.00 0.00 H ATOM 603 N ALA A 64 10.286 -36.950 -35.868 1.00 24.46 N ATOM 604 CA ALA A 64 9.118 -36.316 -36.464 1.00 27.17 C ATOM 605 C ALA A 64 8.635 -35.182 -35.565 1.00 27.80 C ATOM 606 O ALA A 64 8.555 -35.344 -34.349 1.00 27.87 O ATOM 607 CB ALA A 64 8.015 -37.333 -36.658 1.00 28.61 C ATOM 608 H ALA A 64 10.185 -37.879 -35.412 1.00 0.00 H ATOM 609 N CYS A 65 8.331 -34.033 -36.166 1.00 27.76 N ATOM 610 CA CYS A 65 7.634 -32.964 -35.463 1.00 27.82 C ATOM 611 C CYS A 65 6.225 -33.464 -35.230 1.00 30.20 C ATOM 612 O CYS A 65 5.795 -34.420 -35.875 1.00 30.48 O ATOM 613 CB CYS A 65 7.575 -31.695 -36.306 1.00 24.63 C ATOM 614 SG CYS A 65 9.150 -31.186 -37.001 1.00 25.01 S ATOM 615 H CYS A 65 8.598 -33.895 -37.162 1.00 0.00 H ATOM 616 N LYS A 66 5.485 -32.830 -34.330 1.00 32.07 N ATOM 617 CA LYS A 66 4.134 -33.306 -34.070 1.00 35.00 C ATOM 618 C LYS A 66 3.199 -33.116 -35.280 1.00 34.93 C ATOM 619 O LYS A 66 2.238 -33.872 -35.454 1.00 36.47 O ATOM 620 CB LYS A 66 3.553 -32.666 -32.811 1.00 36.64 C ATOM 621 CG LYS A 66 3.432 -31.169 -32.855 1.00 43.50 C ATOM 622 CD LYS A 66 2.571 -30.681 -31.699 1.00 69.84 C ATOM 623 H LYS A 66 5.863 -32.007 -33.819 1.00 0.00 H ATOM 624 N ASN A 67 3.482 -32.139 -36.136 1.00 33.51 N ATOM 625 CA ASN A 67 2.650 -31.938 -37.327 1.00 32.75 C ATOM 626 C ASN A 67 2.998 -32.896 -38.483 1.00 37.11 C ATOM 627 O ASN A 67 2.308 -32.928 -39.510 1.00 38.22 O ATOM 628 CB ASN A 67 2.683 -30.470 -37.780 1.00 26.93 C ATOM 629 CG ASN A 67 4.065 -30.008 -38.193 1.00 69.27 C ATOM 630 OD1 ASN A 67 4.973 -30.813 -38.390 1.00 52.28 O ATOM 631 ND2 ASN A 67 4.228 -28.698 -38.332 1.00 78.09 N ATOM 632 HD22 ASN A 67 3.431 -28.053 -38.155 1.00 0.00 H ATOM 633 HD21 ASN A 67 5.152 -28.316 -38.618 1.00 0.00 H ATOM 634 H ASN A 67 4.296 -31.515 -35.961 1.00 0.00 H ATOM 635 N GLY A 68 4.056 -33.685 -38.304 1.00 39.44 N ATOM 636 CA GLY A 68 4.444 -34.691 -39.280 1.00 41.52 C ATOM 637 C GLY A 68 5.665 -34.296 -40.089 1.00 43.96 C ATOM 638 O GLY A 68 6.212 -35.115 -40.838 1.00 43.66 O ATOM 639 H GLY A 68 4.623 -33.578 -37.439 1.00 0.00 H ATOM 640 N GLN A 69 6.092 -33.043 -39.950 1.00 45.69 N ATOM 641 CA GLN A 69 7.303 -32.583 -40.610 1.00 49.10 C ATOM 642 C GLN A 69 8.490 -33.382 -40.073 1.00 44.51 C ATOM 643 O GLN A 69 8.450 -33.882 -38.949 1.00 43.68 O ATOM 644 CB GLN A 69 7.503 -31.077 -40.394 1.00 58.10 C ATOM 645 CG GLN A 69 6.431 -30.202 -41.057 1.00 37.95 C ATOM 646 CD GLN A 69 6.762 -28.719 -41.010 1.00 43.53 C ATOM 647 OE1 GLN A 69 7.926 -28.324 -41.062 1.00 53.67 O ATOM 648 NE2 GLN A 69 5.731 -27.890 -40.910 1.00 66.14 N ATOM 649 HE22 GLN A 69 4.763 -28.267 -40.869 1.00 0.00 H ATOM 650 HE21 GLN A 69 5.891 -26.863 -40.873 1.00 0.00 H ATOM 651 H GLN A 69 5.550 -32.381 -39.359 1.00 0.00 H ATOM 652 N THR A 70 9.540 -33.511 -40.878 1.00 41.10 N ATOM 653 CA THR A 70 10.696 -34.325 -40.495 1.00 37.48 C ATOM 654 C THR A 70 11.971 -33.496 -40.422 1.00 31.64 C ATOM 655 O THR A 70 13.067 -34.013 -40.642 1.00 31.41 O ATOM 656 CB THR A 70 10.904 -35.500 -41.485 1.00 39.82 C ATOM 657 OG1 THR A 70 11.184 -34.993 -42.798 1.00 33.49 O ATOM 658 CG2 THR A 70 9.667 -36.382 -41.534 1.00 28.82 C ATOM 659 HG1 THR A 70 12.006 -34.442 -42.769 1.00 0.00 H ATOM 660 H THR A 70 9.541 -33.025 -41.797 1.00 0.00 H ATOM 661 N ASN A 71 11.827 -32.208 -40.123 1.00 26.68 N ATOM 662 CA ASN A 71 12.989 -31.362 -39.885 1.00 24.90 C ATOM 663 C ASN A 71 13.103 -31.027 -38.403 1.00 21.63 C ATOM 664 O ASN A 71 13.651 -29.979 -38.056 1.00 21.71 O ATOM 665 CB ASN A 71 12.921 -30.080 -40.714 1.00 27.86 C ATOM 666 CG ASN A 71 11.766 -29.192 -40.312 1.00 30.20 C ATOM 667 OD1 ASN A 71 10.625 -29.655 -40.203 1.00 30.57 O ATOM 668 ND2 ASN A 71 12.055 -27.906 -40.067 1.00 31.81 N ATOM 669 HD22 ASN A 71 13.031 -27.563 -40.173 1.00 0.00 H ATOM 670 HD21 ASN A 71 11.303 -27.251 -39.771 1.00 0.00 H ATOM 671 H ASN A 71 10.873 -31.800 -40.058 1.00 0.00 H ATOM 672 N CYS A 72 12.593 -31.919 -37.541 1.00 19.31 N ATOM 673 CA CYS A 72 12.745 -31.742 -36.093 1.00 17.18 C ATOM 674 C CYS A 72 13.856 -32.610 -35.533 1.00 13.81 C ATOM 675 O CYS A 72 14.206 -33.671 -36.076 1.00 13.71 O ATOM 676 CB CYS A 72 11.446 -32.003 -35.298 1.00 17.59 C ATOM 677 SG CYS A 72 10.194 -30.658 -35.347 1.00 20.90 S ATOM 678 H CYS A 72 12.082 -32.749 -37.905 1.00 0.00 H ATOM 679 N TYR A 73 14.397 -32.139 -34.416 1.00 11.67 N ATOM 680 CA TYR A 73 15.554 -32.745 -33.789 1.00 10.33 C ATOM 681 C TYR A 73 15.366 -32.754 -32.292 1.00 9.87 C ATOM 682 O TYR A 73 14.932 -31.758 -31.716 1.00 10.19 O ATOM 683 CB TYR A 73 16.816 -31.964 -34.149 1.00 11.85 C ATOM 684 CG TYR A 73 17.247 -32.179 -35.574 1.00 14.01 C ATOM 685 CD1 TYR A 73 16.756 -31.382 -36.591 1.00 16.36 C ATOM 686 CD2 TYR A 73 18.151 -33.187 -35.901 1.00 16.52 C ATOM 687 CE1 TYR A 73 17.151 -31.593 -37.912 1.00 18.55 C ATOM 688 CE2 TYR A 73 18.557 -33.394 -37.200 1.00 19.18 C ATOM 689 CZ TYR A 73 18.056 -32.595 -38.201 1.00 20.96 C ATOM 690 OH TYR A 73 18.464 -32.808 -39.502 1.00 25.66 O ATOM 691 HH TYR A 73 18.222 -33.728 -39.776 1.00 0.00 H ATOM 692 H TYR A 73 13.972 -31.300 -33.972 1.00 0.00 H ATOM 693 N GLN A 74 15.694 -33.890 -31.672 1.00 8.78 N ATOM 694 CA GLN A 74 15.590 -34.056 -30.222 1.00 9.52 C ATOM 695 C GLN A 74 16.981 -34.045 -29.590 1.00 9.22 C ATOM 696 O GLN A 74 17.922 -34.651 -30.108 1.00 8.90 O ATOM 697 CB GLN A 74 14.845 -35.359 -29.877 1.00 9.55 C ATOM 698 CG GLN A 74 14.708 -35.624 -28.385 1.00 11.26 C ATOM 699 CD GLN A 74 13.757 -36.768 -28.064 1.00 13.21 C ATOM 700 OE1 GLN A 74 12.724 -36.931 -28.719 1.00 16.14 O ATOM 701 NE2 GLN A 74 14.085 -37.550 -27.036 1.00 13.33 N ATOM 702 HE22 GLN A 74 14.966 -37.377 -26.511 1.00 0.00 H ATOM 703 HE21 GLN A 74 13.460 -38.334 -26.759 1.00 0.00 H ATOM 704 H GLN A 74 16.037 -34.689 -32.243 1.00 0.00 H ATOM 705 N SER A 75 17.112 -33.341 -28.469 1.00 8.88 N ATOM 706 CA SER A 75 18.381 -33.253 -27.778 1.00 7.98 C ATOM 707 C SER A 75 18.741 -34.558 -27.093 1.00 7.20 C ATOM 708 O SER A 75 17.893 -35.192 -26.479 1.00 6.77 O ATOM 709 CB SER A 75 18.351 -32.114 -26.752 1.00 7.26 C ATOM 710 OG SER A 75 17.438 -32.348 -25.682 1.00 7.45 O ATOM 711 HG SER A 75 17.696 -33.176 -25.204 1.00 0.00 H ATOM 712 H SER A 75 16.285 -32.843 -28.081 1.00 0.00 H ATOM 713 N TYR A 76 20.009 -34.950 -27.174 1.00 7.33 N ATOM 714 CA TYR A 76 20.496 -36.050 -26.352 1.00 7.19 C ATOM 715 C TYR A 76 20.531 -35.666 -24.875 1.00 7.10 C ATOM 716 O TYR A 76 20.210 -36.478 -24.006 1.00 8.68 O ATOM 717 CB TYR A 76 21.896 -36.472 -26.800 1.00 8.15 C ATOM 718 CG TYR A 76 21.911 -37.037 -28.198 1.00 9.06 C ATOM 719 CD1 TYR A 76 21.143 -38.154 -28.524 1.00 9.96 C ATOM 720 CD2 TYR A 76 22.697 -36.473 -29.191 1.00 8.83 C ATOM 721 CE1 TYR A 76 21.142 -38.660 -29.797 1.00 10.93 C ATOM 722 CE2 TYR A 76 22.702 -36.976 -30.465 1.00 9.81 C ATOM 723 CZ TYR A 76 21.929 -38.067 -30.764 1.00 9.78 C ATOM 724 OH TYR A 76 21.943 -38.567 -32.045 1.00 10.98 O ATOM 725 HH TYR A 76 21.338 -39.349 -32.100 1.00 0.00 H ATOM 726 H TYR A 76 20.658 -34.468 -27.829 1.00 0.00 H ATOM 727 N SER A 77 20.936 -34.434 -24.585 1.00 7.22 N ATOM 728 CA SER A 77 21.026 -33.987 -23.207 1.00 8.21 C ATOM 729 C SER A 77 19.657 -33.622 -22.664 1.00 6.06 C ATOM 730 O SER A 77 18.700 -33.396 -23.410 1.00 7.90 O ATOM 731 CB SER A 77 21.960 -32.786 -23.098 1.00 10.24 C ATOM 732 OG SER A 77 23.309 -33.196 -23.196 1.00 12.16 O ATOM 733 HG SER A 77 23.899 -32.405 -23.123 1.00 0.00 H ATOM 734 H SER A 77 21.191 -33.783 -25.354 1.00 0.00 H ATOM 735 N THR A 78 19.575 -33.649 -21.345 1.00 6.92 N ATOM 736 CA THR A 78 18.440 -33.193 -20.586 1.00 7.50 C ATOM 737 C THR A 78 18.709 -31.724 -20.213 1.00 6.28 C ATOM 738 O THR A 78 19.735 -31.420 -19.609 1.00 8.01 O ATOM 739 CB THR A 78 18.341 -34.070 -19.335 1.00 10.34 C ATOM 740 OG1 THR A 78 18.325 -35.449 -19.751 1.00 11.87 O ATOM 741 CG2 THR A 78 17.118 -33.754 -18.561 1.00 12.79 C ATOM 742 HG1 THR A 78 17.544 -35.606 -20.339 1.00 0.00 H ATOM 743 H THR A 78 20.388 -34.027 -20.818 1.00 0.00 H ATOM 744 N MET A 79 17.803 -30.819 -20.566 1.00 6.06 N ATOM 745 CA MET A 79 18.057 -29.394 -20.417 1.00 5.33 C ATOM 746 C MET A 79 17.187 -28.768 -19.334 1.00 6.55 C ATOM 747 O MET A 79 16.058 -29.198 -19.116 1.00 7.05 O ATOM 748 CB MET A 79 17.821 -28.690 -21.747 1.00 6.97 C ATOM 749 CG MET A 79 18.809 -29.165 -22.857 1.00 9.05 C ATOM 750 SD MET A 79 18.714 -28.149 -24.308 1.00 12.25 S ATOM 751 CE MET A 79 20.083 -28.848 -25.244 1.00 11.25 C ATOM 752 H MET A 79 16.893 -31.136 -20.957 1.00 0.00 H ATOM 753 N SER A 80 17.710 -27.742 -18.677 1.00 5.89 N ATOM 754 CA SER A 80 16.910 -26.950 -17.750 1.00 5.49 C ATOM 755 C SER A 80 15.965 -26.065 -18.560 1.00 6.92 C ATOM 756 O SER A 80 16.406 -25.300 -19.427 1.00 7.05 O ATOM 757 CB SER A 80 17.800 -26.076 -16.880 1.00 7.40 C ATOM 758 OG SER A 80 17.033 -25.184 -16.121 1.00 8.95 O ATOM 759 HG SER A 80 17.632 -24.627 -15.564 1.00 0.00 H ATOM 760 H SER A 80 18.710 -27.497 -18.826 1.00 0.00 H ATOM 761 N ILE A 81 14.679 -26.185 -18.281 1.00 6.43 N ATOM 762 CA ILE A 81 13.659 -25.424 -18.974 1.00 7.30 C ATOM 763 C ILE A 81 12.652 -24.872 -17.976 1.00 7.47 C ATOM 764 O ILE A 81 12.492 -25.390 -16.861 1.00 7.60 O ATOM 765 CB ILE A 81 12.920 -26.273 -20.047 1.00 6.97 C ATOM 766 CG1 ILE A 81 12.134 -27.418 -19.413 1.00 7.56 C ATOM 767 CG2 ILE A 81 13.913 -26.813 -21.093 1.00 7.93 C ATOM 768 CD1 ILE A 81 11.248 -28.169 -20.404 1.00 10.99 C ATOM 769 H ILE A 81 14.388 -26.850 -17.536 1.00 0.00 H ATOM 770 N THR A 82 11.965 -23.820 -18.401 1.00 6.40 N ATOM 771 CA THR A 82 10.824 -23.282 -17.672 1.00 7.43 C ATOM 772 C THR A 82 9.608 -23.356 -18.575 1.00 8.56 C ATOM 773 O THR A 82 9.659 -22.930 -19.716 1.00 9.41 O ATOM 774 CB THR A 82 11.075 -21.825 -17.260 1.00 8.02 C ATOM 775 OG1 THR A 82 12.137 -21.779 -16.300 1.00 8.08 O ATOM 776 CG2 THR A 82 9.813 -21.195 -16.668 1.00 9.73 C ATOM 777 HG1 THR A 82 12.960 -22.156 -16.701 1.00 0.00 H ATOM 778 H THR A 82 12.252 -23.361 -19.289 1.00 0.00 H ATOM 779 N ASP A 83 8.524 -23.935 -18.082 1.00 11.08 N ATOM 780 CA ASP A 83 7.265 -23.911 -18.818 1.00 12.41 C ATOM 781 C ASP A 83 6.356 -22.847 -18.223 1.00 12.56 C ATOM 782 O ASP A 83 6.068 -22.863 -17.031 1.00 14.51 O ATOM 783 CB ASP A 83 6.568 -25.271 -18.775 1.00 16.73 C ATOM 784 CG ASP A 83 7.177 -26.273 -19.742 1.00 20.03 C ATOM 785 OD1 ASP A 83 7.433 -25.919 -20.915 1.00 20.12 O ATOM 786 OD2 ASP A 83 7.402 -27.427 -19.329 1.00 24.19 O ATOM 787 H ASP A 83 8.571 -24.412 -17.159 1.00 0.00 H ATOM 788 N CYS A 84 5.914 -21.926 -19.066 1.00 11.22 N ATOM 789 CA CYS A 84 5.004 -20.878 -18.661 1.00 13.03 C ATOM 790 C CYS A 84 3.639 -21.249 -19.172 1.00 15.79 C ATOM 791 O CYS A 84 3.455 -21.441 -20.359 1.00 16.05 O ATOM 792 CB CYS A 84 5.418 -19.557 -19.287 1.00 11.98 C ATOM 793 SG CYS A 84 7.082 -19.065 -18.831 1.00 12.83 S ATOM 794 H CYS A 84 6.233 -21.958 -20.055 1.00 0.00 H ATOM 795 N ARG A 85 2.679 -21.368 -18.278 1.00 20.56 N ATOM 796 CA ARG A 85 1.341 -21.756 -18.684 1.00 28.96 C ATOM 797 C ARG A 85 0.313 -20.856 -18.023 1.00 21.32 C ATOM 798 O ARG A 85 0.406 -20.565 -16.830 1.00 17.95 O ATOM 799 CB ARG A 85 1.125 -23.233 -18.364 1.00 44.66 C ATOM 800 CG ARG A 85 2.187 -24.112 -19.040 1.00 13.75 C ATOM 801 CD ARG A 85 1.933 -25.580 -18.861 1.00 28.02 C ATOM 802 NE ARG A 85 2.054 -25.991 -17.467 1.00 85.92 N ATOM 803 CZ ARG A 85 2.619 -27.126 -17.054 1.00 85.26 C ATOM 804 NH1 ARG A 85 3.125 -27.982 -17.935 1.00 75.72 N ATOM 805 NH2 ARG A 85 2.684 -27.417 -15.760 1.00 93.52 N ATOM 806 HE ARG A 85 1.671 -25.352 -16.741 1.00 0.00 H ATOM 807 HH12 ARG A 85 3.565 -28.866 -17.608 1.00 0.00 H ATOM 808 HH11 ARG A 85 3.081 -27.768 -18.952 1.00 0.00 H ATOM 809 HH22 ARG A 85 3.127 -28.305 -15.448 1.00 0.00 H ATOM 810 HH21 ARG A 85 2.292 -26.757 -15.058 1.00 0.00 H ATOM 811 H ARG A 85 2.881 -21.183 -17.275 1.00 0.00 H ATOM 812 N GLU A 86 -0.638 -20.407 -18.823 1.00 21.01 N ATOM 813 CA GLU A 86 -1.714 -19.564 -18.341 1.00 19.87 C ATOM 814 C GLU A 86 -2.424 -20.169 -17.153 1.00 19.78 C ATOM 815 O GLU A 86 -2.728 -21.364 -17.128 1.00 20.26 O ATOM 816 CB GLU A 86 -2.759 -19.347 -19.427 1.00 21.73 C ATOM 817 CG GLU A 86 -2.493 -18.192 -20.338 1.00 23.89 C ATOM 818 CD GLU A 86 -3.719 -17.870 -21.151 1.00 24.14 C ATOM 819 OE1 GLU A 86 -3.995 -18.632 -22.095 1.00 25.62 O ATOM 820 OE2 GLU A 86 -4.413 -16.882 -20.834 1.00 23.84 O ATOM 821 H GLU A 86 -0.614 -20.667 -19.830 1.00 0.00 H ATOM 822 N THR A 87 -2.729 -19.320 -16.186 1.00 18.42 N ATOM 823 CA THR A 87 -3.554 -19.725 -15.063 1.00 18.68 C ATOM 824 C THR A 87 -5.019 -19.693 -15.463 1.00 20.09 C ATOM 825 O THR A 87 -5.377 -19.165 -16.515 1.00 19.47 O ATOM 826 CB THR A 87 -3.349 -18.779 -13.890 1.00 19.22 C ATOM 827 OG1 THR A 87 -3.820 -17.479 -14.262 1.00 21.84 O ATOM 828 CG2 THR A 87 -1.870 -18.696 -13.513 1.00 19.78 C ATOM 829 HG1 THR A 87 -3.692 -16.854 -13.505 1.00 0.00 H ATOM 830 H THR A 87 -2.371 -18.345 -16.231 1.00 0.00 H ATOM 831 N GLY A 88 -5.863 -20.257 -14.612 1.00 22.21 N ATOM 832 CA GLY A 88 -7.290 -20.300 -14.880 1.00 23.41 C ATOM 833 C GLY A 88 -7.926 -18.925 -14.962 1.00 24.22 C ATOM 834 O GLY A 88 -8.954 -18.748 -15.630 1.00 25.26 O ATOM 835 H GLY A 88 -5.497 -20.678 -13.734 1.00 0.00 H ATOM 836 N SER A 89 -7.324 -17.955 -14.281 1.00 24.12 N ATOM 837 CA SER A 89 -7.882 -16.609 -14.191 1.00 26.33 C ATOM 838 C SER A 89 -7.258 -15.640 -15.192 1.00 24.21 C ATOM 839 O SER A 89 -7.610 -14.457 -15.236 1.00 25.72 O ATOM 840 CB SER A 89 -7.697 -16.074 -12.768 1.00 31.48 C ATOM 841 OG SER A 89 -6.322 -16.003 -12.427 1.00 82.92 O ATOM 842 HG SER A 89 -5.923 -16.907 -12.481 1.00 0.00 H ATOM 843 H SER A 89 -6.427 -18.162 -13.797 1.00 0.00 H ATOM 844 N SER A 90 -6.325 -16.139 -15.994 1.00 20.73 N ATOM 845 CA SER A 90 -5.694 -15.321 -17.015 1.00 18.46 C ATOM 846 C SER A 90 -6.713 -14.855 -18.034 1.00 18.65 C ATOM 847 O SER A 90 -7.495 -15.657 -18.551 1.00 19.39 O ATOM 848 CB SER A 90 -4.612 -16.120 -17.721 1.00 17.06 C ATOM 849 OG SER A 90 -3.981 -15.331 -18.708 1.00 16.32 O ATOM 850 HG SER A 90 -3.280 -15.866 -19.158 1.00 0.00 H ATOM 851 H SER A 90 -6.041 -17.134 -15.889 1.00 0.00 H ATOM 852 N LYS A 91 -6.696 -13.562 -18.329 1.00 19.55 N ATOM 853 CA LYS A 91 -7.659 -12.975 -19.252 1.00 23.18 C ATOM 854 C LYS A 91 -7.040 -11.783 -19.956 1.00 22.89 C ATOM 855 O LYS A 91 -6.766 -10.760 -19.329 1.00 23.85 O ATOM 856 CB LYS A 91 -8.916 -12.530 -18.497 1.00 27.01 C ATOM 857 CG LYS A 91 -10.016 -11.967 -19.374 1.00 42.18 C ATOM 858 CD LYS A 91 -11.251 -12.846 -19.323 1.00 59.60 C ATOM 859 CE LYS A 91 -12.428 -12.181 -20.004 1.00 56.59 C ATOM 860 NZ LYS A 91 -13.659 -13.011 -19.918 1.00 90.87 N ATOM 861 HZ1 LYS A 91 -13.490 -13.928 -20.379 1.00 0.00 H ATOM 862 HZ2 LYS A 91 -13.904 -13.164 -18.919 1.00 0.00 H ATOM 863 HZ3 LYS A 91 -14.441 -12.520 -20.396 1.00 0.00 H ATOM 864 H LYS A 91 -5.977 -12.952 -17.891 1.00 0.00 H ATOM 865 N TYR A 92 -6.819 -11.923 -21.259 1.00 22.86 N ATOM 866 CA TYR A 92 -6.242 -10.851 -22.059 1.00 23.12 C ATOM 867 C TYR A 92 -6.991 -9.536 -21.825 1.00 24.07 C ATOM 868 O TYR A 92 -8.218 -9.538 -21.714 1.00 25.29 O ATOM 869 CB TYR A 92 -6.312 -11.231 -23.539 1.00 23.15 C ATOM 870 CG TYR A 92 -5.684 -10.212 -24.452 1.00 23.86 C ATOM 871 CD1 TYR A 92 -4.340 -10.283 -24.774 1.00 24.12 C ATOM 872 CD2 TYR A 92 -6.434 -9.179 -24.992 1.00 24.48 C ATOM 873 CE1 TYR A 92 -3.754 -9.344 -25.601 1.00 24.21 C ATOM 874 CE2 TYR A 92 -5.859 -8.237 -25.823 1.00 24.65 C ATOM 875 CZ TYR A 92 -4.520 -8.325 -26.125 1.00 24.94 C ATOM 876 OH TYR A 92 -3.952 -7.387 -26.959 1.00 26.62 O ATOM 877 HH TYR A 92 -2.990 -7.590 -27.075 1.00 0.00 H ATOM 878 H TYR A 92 -7.065 -12.822 -21.720 1.00 0.00 H ATOM 879 N PRO A 93 -6.270 -8.406 -21.742 1.00 24.35 N ATOM 880 CA PRO A 93 -4.824 -8.177 -21.862 1.00 25.69 C ATOM 881 C PRO A 93 -4.037 -8.418 -20.584 1.00 27.05 C ATOM 882 O PRO A 93 -2.837 -8.156 -20.570 1.00 28.43 O ATOM 883 CB PRO A 93 -4.745 -6.695 -22.221 1.00 25.27 C ATOM 884 CG PRO A 93 -5.914 -6.096 -21.552 1.00 25.50 C ATOM 885 CD PRO A 93 -7.005 -7.137 -21.574 1.00 24.45 C ATOM 886 N ASN A 94 -4.690 -8.898 -19.535 1.00 27.18 N ATOM 887 CA ASN A 94 -3.999 -9.196 -18.287 1.00 28.17 C ATOM 888 C ASN A 94 -3.630 -10.681 -18.195 1.00 27.12 C ATOM 889 O ASN A 94 -4.179 -11.433 -17.388 1.00 27.99 O ATOM 890 CB ASN A 94 -4.863 -8.744 -17.110 1.00 31.18 C ATOM 891 CG ASN A 94 -5.217 -7.266 -17.193 1.00 33.91 C ATOM 892 OD1 ASN A 94 -4.345 -6.405 -17.083 1.00 35.97 O ATOM 893 ND2 ASN A 94 -6.496 -6.967 -17.406 1.00 34.69 N ATOM 894 HD22 ASN A 94 -7.200 -7.727 -17.493 1.00 0.00 H ATOM 895 HD21 ASN A 94 -6.791 -5.973 -17.486 1.00 0.00 H ATOM 896 H ASN A 94 -5.714 -9.065 -19.604 1.00 0.00 H ATOM 897 N CYS A 95 -2.688 -11.094 -19.037 1.00 24.00 N ATOM 898 CA CYS A 95 -2.289 -12.494 -19.111 1.00 21.68 C ATOM 899 C CYS A 95 -1.510 -12.890 -17.866 1.00 20.20 C ATOM 900 O CYS A 95 -0.656 -12.143 -17.402 1.00 23.51 O ATOM 901 CB CYS A 95 -1.439 -12.733 -20.354 1.00 21.80 C ATOM 902 SG CYS A 95 -2.284 -12.343 -21.910 1.00 22.54 S ATOM 903 H CYS A 95 -2.224 -10.401 -19.658 1.00 0.00 H ATOM 904 N ALA A 96 -1.807 -14.068 -17.331 1.00 16.24 N ATOM 905 CA ALA A 96 -1.191 -14.522 -16.091 1.00 14.27 C ATOM 906 C ALA A 96 -0.711 -15.956 -16.233 1.00 12.71 C ATOM 907 O ALA A 96 -1.431 -16.800 -16.776 1.00 13.72 O ATOM 908 CB ALA A 96 -2.193 -14.426 -14.950 1.00 14.83 C ATOM 909 H ALA A 96 -2.497 -14.682 -17.809 1.00 0.00 H ATOM 910 N TYR A 97 0.487 -16.223 -15.710 1.00 11.46 N ATOM 911 CA TYR A 97 1.193 -17.486 -15.921 1.00 11.77 C ATOM 912 C TYR A 97 1.705 -18.100 -14.638 1.00 13.50 C ATOM 913 O TYR A 97 2.139 -17.399 -13.727 1.00 15.39 O ATOM 914 CB TYR A 97 2.389 -17.283 -16.854 1.00 11.70 C ATOM 915 CG TYR A 97 1.941 -16.920 -18.230 1.00 11.80 C ATOM 916 CD1 TYR A 97 1.675 -17.898 -19.166 1.00 14.06 C ATOM 917 CD2 TYR A 97 1.736 -15.597 -18.582 1.00 12.73 C ATOM 918 CE1 TYR A 97 1.217 -17.570 -20.408 1.00 14.98 C ATOM 919 CE2 TYR A 97 1.282 -15.252 -19.836 1.00 13.55 C ATOM 920 CZ TYR A 97 1.031 -16.239 -20.746 1.00 15.43 C ATOM 921 OH TYR A 97 0.577 -15.908 -22.004 1.00 18.66 O ATOM 922 HH TYR A 97 0.447 -16.734 -22.534 1.00 0.00 H ATOM 923 H TYR A 97 0.942 -15.496 -15.122 1.00 0.00 H ATOM 924 N LYS A 98 1.681 -19.424 -14.591 1.00 13.81 N ATOM 925 CA LYS A 98 2.387 -20.161 -13.561 1.00 14.87 C ATOM 926 C LYS A 98 3.745 -20.545 -14.114 1.00 13.58 C ATOM 927 O LYS A 98 3.853 -21.000 -15.255 1.00 14.29 O ATOM 928 CB LYS A 98 1.613 -21.418 -13.169 1.00 19.30 C ATOM 929 CG LYS A 98 2.285 -22.247 -12.080 1.00 30.62 C ATOM 930 CD LYS A 98 1.475 -23.488 -11.743 1.00 42.66 C ATOM 931 H LYS A 98 1.143 -19.947 -15.311 1.00 0.00 H ATOM 932 N THR A 99 4.774 -20.366 -13.294 1.00 11.98 N ATOM 933 CA THR A 99 6.144 -20.705 -13.650 1.00 12.58 C ATOM 934 C THR A 99 6.478 -22.080 -13.086 1.00 13.64 C ATOM 935 O THR A 99 6.382 -22.292 -11.871 1.00 15.82 O ATOM 936 CB THR A 99 7.107 -19.665 -13.041 1.00 11.97 C ATOM 937 OG1 THR A 99 6.852 -18.382 -13.620 1.00 13.56 O ATOM 938 CG2 THR A 99 8.583 -20.026 -13.285 1.00 12.59 C ATOM 939 HG1 THR A 99 6.993 -18.429 -14.599 1.00 0.00 H ATOM 940 H THR A 99 4.592 -19.964 -12.352 1.00 0.00 H ATOM 941 N THR A 100 6.823 -23.016 -13.971 1.00 14.18 N ATOM 942 CA THR A 100 7.218 -24.360 -13.575 1.00 16.78 C ATOM 943 C THR A 100 8.598 -24.711 -14.103 1.00 15.72 C ATOM 944 O THR A 100 8.888 -24.510 -15.280 1.00 14.87 O ATOM 945 CB THR A 100 6.249 -25.411 -14.153 1.00 19.11 C ATOM 946 OG1 THR A 100 4.906 -25.084 -13.788 1.00 20.45 O ATOM 947 CG2 THR A 100 6.608 -26.805 -13.656 1.00 19.75 C ATOM 948 HG1 THR A 100 4.675 -24.192 -14.149 1.00 0.00 H ATOM 949 H THR A 100 6.809 -22.777 -14.983 1.00 0.00 H ATOM 950 N GLN A 101 9.443 -25.226 -13.218 1.00 17.94 N ATOM 951 CA GLN A 101 10.782 -25.665 -13.578 1.00 17.88 C ATOM 952 C GLN A 101 10.781 -27.147 -13.983 1.00 16.47 C ATOM 953 O GLN A 101 10.089 -27.974 -13.381 1.00 18.38 O ATOM 954 CB GLN A 101 11.739 -25.429 -12.403 1.00 19.47 C ATOM 955 CG GLN A 101 11.734 -23.986 -11.878 1.00 22.26 C ATOM 956 CD GLN A 101 12.796 -23.715 -10.827 1.00 25.32 C ATOM 957 OE1 GLN A 101 13.188 -24.599 -10.076 1.00 27.92 O ATOM 958 NE2 GLN A 101 13.255 -22.475 -10.759 1.00 28.62 N ATOM 959 HE22 GLN A 101 12.897 -21.751 -11.415 1.00 0.00 H ATOM 960 HE21 GLN A 101 13.973 -22.225 -10.050 1.00 0.00 H ATOM 961 H GLN A 101 9.136 -25.319 -12.229 1.00 0.00 H ATOM 962 N ALA A 102 11.561 -27.488 -15.001 1.00 13.42 N ATOM 963 CA ALA A 102 11.702 -28.884 -15.405 1.00 12.00 C ATOM 964 C ALA A 102 13.074 -29.132 -15.985 1.00 9.78 C ATOM 965 O ALA A 102 13.811 -28.190 -16.281 1.00 8.67 O ATOM 966 CB ALA A 102 10.644 -29.275 -16.425 1.00 13.32 C ATOM 967 H ALA A 102 12.080 -26.750 -15.519 1.00 0.00 H ATOM 968 N ASN A 103 13.398 -30.413 -16.148 1.00 8.53 N ATOM 969 CA ASN A 103 14.634 -30.829 -16.799 1.00 7.45 C ATOM 970 C ASN A 103 14.309 -31.952 -17.755 1.00 8.52 C ATOM 971 O ASN A 103 14.032 -33.075 -17.330 1.00 9.63 O ATOM 972 CB ASN A 103 15.680 -31.259 -15.779 1.00 6.86 C ATOM 973 CG ASN A 103 16.190 -30.104 -14.978 1.00 8.52 C ATOM 974 OD1 ASN A 103 17.169 -29.438 -15.361 1.00 10.41 O ATOM 975 ND2 ASN A 103 15.497 -29.804 -13.894 1.00 8.88 N ATOM 976 HD22 ASN A 103 14.686 -30.393 -13.616 1.00 0.00 H ATOM 977 HD21 ASN A 103 15.762 -28.979 -13.319 1.00 0.00 H ATOM 978 H ASN A 103 12.746 -31.143 -15.798 1.00 0.00 H ATOM 979 N LYS A 104 14.287 -31.622 -19.043 1.00 7.56 N ATOM 980 CA LYS A 104 13.752 -32.528 -20.066 1.00 8.38 C ATOM 981 C LYS A 104 14.557 -32.431 -21.341 1.00 7.04 C ATOM 982 O LYS A 104 15.290 -31.476 -21.536 1.00 7.15 O ATOM 983 CB LYS A 104 12.290 -32.188 -20.365 1.00 8.59 C ATOM 984 CG LYS A 104 11.367 -32.386 -19.157 1.00 9.09 C ATOM 985 CD LYS A 104 9.920 -32.059 -19.454 1.00 11.01 C ATOM 986 CE LYS A 104 9.307 -33.029 -20.442 1.00 13.00 C ATOM 987 NZ LYS A 104 7.887 -32.645 -20.717 1.00 14.83 N ATOM 988 HZ1 LYS A 104 7.345 -32.669 -19.830 1.00 0.00 H ATOM 989 HZ2 LYS A 104 7.860 -31.685 -21.116 1.00 0.00 H ATOM 990 HZ3 LYS A 104 7.473 -33.315 -21.396 1.00 0.00 H ATOM 991 H LYS A 104 14.660 -30.696 -19.334 1.00 0.00 H ATOM 992 N HIS A 105 14.392 -33.395 -22.233 1.00 8.01 N ATOM 993 CA HIS A 105 14.892 -33.206 -23.586 1.00 6.50 C ATOM 994 C HIS A 105 13.997 -32.210 -24.300 1.00 7.33 C ATOM 995 O HIS A 105 12.815 -32.073 -23.964 1.00 9.02 O ATOM 996 CB HIS A 105 14.899 -34.509 -24.375 1.00 7.40 C ATOM 997 CG HIS A 105 15.520 -35.656 -23.648 1.00 9.27 C ATOM 998 ND1 HIS A 105 16.873 -35.755 -23.419 1.00 9.98 N ATOM 999 CD2 HIS A 105 14.960 -36.762 -23.107 1.00 11.53 C ATOM 1000 CE1 HIS A 105 17.121 -36.875 -22.754 1.00 11.07 C ATOM 1001 NE2 HIS A 105 15.980 -37.498 -22.551 1.00 12.45 N ATOM 1002 H HIS A 105 13.910 -34.278 -21.969 1.00 0.00 H ATOM 1003 N ILE A 106 14.575 -31.498 -25.258 1.00 6.40 N ATOM 1004 CA ILE A 106 13.803 -30.600 -26.113 1.00 5.78 C ATOM 1005 C ILE A 106 13.767 -31.106 -27.543 1.00 7.12 C ATOM 1006 O ILE A 106 14.670 -31.833 -27.983 1.00 7.81 O ATOM 1007 CB ILE A 106 14.299 -29.130 -26.072 1.00 7.65 C ATOM 1008 CG1 ILE A 106 15.694 -28.995 -26.691 1.00 6.98 C ATOM 1009 CG2 ILE A 106 14.291 -28.612 -24.617 1.00 8.80 C ATOM 1010 CD1 ILE A 106 16.154 -27.564 -26.830 1.00 7.08 C ATOM 1011 H ILE A 106 15.601 -31.581 -25.404 1.00 0.00 H ATOM 1012 N ILE A 107 12.688 -30.755 -28.235 1.00 8.06 N ATOM 1013 CA ILE A 107 12.533 -31.038 -29.658 1.00 8.45 C ATOM 1014 C ILE A 107 12.317 -29.704 -30.378 1.00 8.15 C ATOM 1015 O ILE A 107 11.410 -28.934 -30.024 1.00 8.08 O ATOM 1016 CB ILE A 107 11.349 -31.992 -29.940 1.00 9.27 C ATOM 1017 CG1 ILE A 107 11.565 -33.317 -29.199 1.00 10.01 C ATOM 1018 CG2 ILE A 107 11.188 -32.211 -31.462 1.00 11.01 C ATOM 1019 CD1 ILE A 107 10.481 -34.339 -29.395 1.00 10.72 C ATOM 1020 H ILE A 107 11.921 -30.257 -27.741 1.00 0.00 H ATOM 1021 N VAL A 108 13.161 -29.435 -31.373 1.00 7.22 N ATOM 1022 CA VAL A 108 13.130 -28.191 -32.133 1.00 6.96 C ATOM 1023 C VAL A 108 13.121 -28.457 -33.642 1.00 8.59 C ATOM 1024 O VAL A 108 13.565 -29.513 -34.109 1.00 10.95 O ATOM 1025 CB VAL A 108 14.341 -27.297 -31.798 1.00 7.48 C ATOM 1026 CG1 VAL A 108 14.307 -26.863 -30.332 1.00 7.71 C ATOM 1027 CG2 VAL A 108 15.650 -28.006 -32.117 1.00 8.93 C ATOM 1028 H VAL A 108 13.877 -30.147 -31.620 1.00 0.00 H ATOM 1029 N GLY A 109 12.603 -27.493 -34.398 1.00 9.03 N ATOM 1030 CA GLY A 109 12.713 -27.495 -35.852 1.00 9.87 C ATOM 1031 C GLY A 109 13.855 -26.580 -36.259 1.00 10.02 C ATOM 1032 O GLY A 109 14.062 -25.525 -35.625 1.00 9.50 O ATOM 1033 H GLY A 109 12.101 -26.709 -33.935 1.00 0.00 H ATOM 1034 N CYS A 110 14.598 -26.969 -37.298 1.00 9.82 N ATOM 1035 CA CYS A 110 15.825 -26.261 -37.667 1.00 10.40 C ATOM 1036 C CYS A 110 15.823 -25.829 -39.131 1.00 9.34 C ATOM 1037 O CYS A 110 15.233 -26.493 -39.974 1.00 11.79 O ATOM 1038 CB CYS A 110 17.042 -27.159 -37.404 1.00 10.09 C ATOM 1039 SG CYS A 110 17.209 -27.728 -35.682 1.00 11.60 S ATOM 1040 H CYS A 110 14.298 -27.793 -37.857 1.00 0.00 H ATOM 1041 N GLU A 111 16.547 -24.746 -39.429 1.00 8.86 N ATOM 1042 CA GLU A 111 16.672 -24.228 -40.784 1.00 9.33 C ATOM 1043 C GLU A 111 17.946 -23.430 -40.907 1.00 9.21 C ATOM 1044 O GLU A 111 18.457 -22.932 -39.897 1.00 9.30 O ATOM 1045 CB GLU A 111 15.536 -23.249 -41.107 1.00 14.80 C ATOM 1046 CG GLU A 111 14.250 -23.859 -41.506 1.00 19.22 C ATOM 1047 CD GLU A 111 13.226 -22.801 -41.884 1.00 22.98 C ATOM 1048 OE1 GLU A 111 13.639 -21.690 -42.254 1.00 23.36 O ATOM 1049 OE2 GLU A 111 12.012 -23.070 -41.803 1.00 26.66 O ATOM 1050 H GLU A 111 17.043 -24.252 -38.660 1.00 0.00 H ATOM 1051 N GLY A 112 18.414 -23.270 -42.148 1.00 8.77 N ATOM 1052 CA GLY A 112 19.418 -22.271 -42.483 1.00 8.84 C ATOM 1053 C GLY A 112 20.856 -22.751 -42.500 1.00 8.91 C ATOM 1054 O GLY A 112 21.159 -23.908 -42.222 1.00 9.21 O ATOM 1055 H GLY A 112 18.047 -23.883 -42.904 1.00 0.00 H ATOM 1056 N ASN A 113 21.745 -21.821 -42.828 1.00 9.78 N ATOM 1057 CA ASN A 113 23.182 -21.997 -42.646 1.00 12.39 C ATOM 1058 C ASN A 113 23.697 -20.754 -41.904 1.00 12.57 C ATOM 1059 O ASN A 113 23.708 -19.657 -42.470 1.00 12.84 O ATOM 1060 CB ASN A 113 23.880 -22.152 -44.001 1.00 13.55 C ATOM 1061 CG ASN A 113 25.391 -22.327 -43.866 1.00 17.18 C ATOM 1062 OD1 ASN A 113 25.914 -22.421 -42.758 1.00 19.74 O ATOM 1063 ND2 ASN A 113 26.097 -22.360 -44.993 1.00 19.97 N ATOM 1064 HD22 ASN A 113 25.615 -22.277 -45.911 1.00 0.00 H ATOM 1065 HD21 ASN A 113 27.131 -22.469 -44.956 1.00 0.00 H ATOM 1066 H ASN A 113 21.402 -20.927 -43.233 1.00 0.00 H ATOM 1067 N PRO A 114 24.116 -20.906 -40.633 1.00 12.41 N ATOM 1068 CA PRO A 114 24.213 -22.156 -39.862 1.00 11.93 C ATOM 1069 C PRO A 114 22.864 -22.789 -39.604 1.00 9.78 C ATOM 1070 O PRO A 114 21.849 -22.104 -39.571 1.00 9.54 O ATOM 1071 CB PRO A 114 24.849 -21.709 -38.551 1.00 13.27 C ATOM 1072 CG PRO A 114 24.447 -20.267 -38.413 1.00 14.23 C ATOM 1073 CD PRO A 114 24.472 -19.730 -39.814 1.00 12.83 C ATOM 1074 N TYR A 115 22.860 -24.098 -39.426 1.00 10.57 N ATOM 1075 CA TYR A 115 21.617 -24.848 -39.256 1.00 10.34 C ATOM 1076 C TYR A 115 21.224 -24.780 -37.795 1.00 9.41 C ATOM 1077 O TYR A 115 21.849 -25.421 -36.946 1.00 10.40 O ATOM 1078 CB TYR A 115 21.838 -26.278 -39.710 1.00 11.10 C ATOM 1079 CG TYR A 115 20.614 -27.124 -39.933 1.00 11.90 C ATOM 1080 CD1 TYR A 115 19.635 -26.763 -40.842 1.00 12.33 C ATOM 1081 CD2 TYR A 115 20.468 -28.319 -39.268 1.00 13.09 C ATOM 1082 CE1 TYR A 115 18.533 -27.566 -41.055 1.00 13.57 C ATOM 1083 CE2 TYR A 115 19.387 -29.124 -39.478 1.00 13.84 C ATOM 1084 CZ TYR A 115 18.423 -28.750 -40.368 1.00 13.90 C ATOM 1085 OH TYR A 115 17.342 -29.581 -40.563 1.00 16.81 O ATOM 1086 HH TYR A 115 16.734 -29.178 -41.232 1.00 0.00 H ATOM 1087 H TYR A 115 23.766 -24.609 -39.406 1.00 0.00 H ATOM 1088 N VAL A 116 20.192 -23.986 -37.510 1.00 9.27 N ATOM 1089 CA VAL A 116 19.849 -23.641 -36.136 1.00 8.33 C ATOM 1090 C VAL A 116 18.349 -23.684 -35.877 1.00 7.97 C ATOM 1091 O VAL A 116 17.557 -23.743 -36.804 1.00 9.01 O ATOM 1092 CB VAL A 116 20.390 -22.253 -35.744 1.00 9.12 C ATOM 1093 CG1 VAL A 116 21.936 -22.264 -35.778 1.00 9.91 C ATOM 1094 CG2 VAL A 116 19.806 -21.153 -36.617 1.00 9.20 C ATOM 1095 H VAL A 116 19.617 -23.603 -38.287 1.00 0.00 H ATOM 1096 N PRO A 117 17.947 -23.652 -34.595 1.00 7.33 N ATOM 1097 CA PRO A 117 16.508 -23.791 -34.330 1.00 7.93 C ATOM 1098 C PRO A 117 15.670 -22.591 -34.767 1.00 7.05 C ATOM 1099 O PRO A 117 16.093 -21.451 -34.577 1.00 7.79 O ATOM 1100 CB PRO A 117 16.450 -23.929 -32.801 1.00 8.74 C ATOM 1101 CG PRO A 117 17.778 -24.441 -32.418 1.00 8.88 C ATOM 1102 CD PRO A 117 18.730 -23.756 -33.350 1.00 7.91 C ATOM 1103 N VAL A 118 14.478 -22.867 -35.311 1.00 7.14 N ATOM 1104 CA VAL A 118 13.525 -21.814 -35.674 1.00 8.27 C ATOM 1105 C VAL A 118 12.143 -22.054 -35.059 1.00 9.01 C ATOM 1106 O VAL A 118 11.241 -21.210 -35.178 1.00 10.31 O ATOM 1107 CB VAL A 118 13.406 -21.621 -37.212 1.00 9.34 C ATOM 1108 CG1 VAL A 118 14.738 -21.170 -37.782 1.00 10.04 C ATOM 1109 CG2 VAL A 118 12.946 -22.880 -37.888 1.00 9.46 C ATOM 1110 H VAL A 118 14.220 -23.860 -35.481 1.00 0.00 H ATOM 1111 N HIS A 119 11.992 -23.182 -34.374 1.00 7.90 N ATOM 1112 CA HIS A 119 10.689 -23.601 -33.872 1.00 8.25 C ATOM 1113 C HIS A 119 10.893 -24.462 -32.641 1.00 8.38 C ATOM 1114 O HIS A 119 11.747 -25.341 -32.659 1.00 8.96 O ATOM 1115 CB HIS A 119 9.956 -24.383 -34.971 1.00 13.24 C ATOM 1116 CG HIS A 119 8.806 -25.202 -34.486 1.00 17.06 C ATOM 1117 ND1 HIS A 119 7.585 -24.650 -34.147 1.00 18.83 N ATOM 1118 CD2 HIS A 119 8.674 -26.537 -34.307 1.00 18.42 C ATOM 1119 CE1 HIS A 119 6.760 -25.610 -33.772 1.00 19.53 C ATOM 1120 NE2 HIS A 119 7.395 -26.767 -33.866 1.00 19.07 N ATOM 1121 H HIS A 119 12.823 -23.780 -34.192 1.00 0.00 H ATOM 1122 N PHE A 120 10.137 -24.190 -31.573 1.00 7.88 N ATOM 1123 CA PHE A 120 10.123 -25.079 -30.401 1.00 7.61 C ATOM 1124 C PHE A 120 8.925 -26.012 -30.502 1.00 8.23 C ATOM 1125 O PHE A 120 7.786 -25.552 -30.496 1.00 8.96 O ATOM 1126 CB PHE A 120 10.085 -24.294 -29.082 1.00 8.41 C ATOM 1127 CG PHE A 120 10.370 -25.145 -27.868 1.00 7.90 C ATOM 1128 CD1 PHE A 120 9.362 -25.905 -27.286 1.00 9.27 C ATOM 1129 CD2 PHE A 120 11.644 -25.209 -27.327 1.00 8.90 C ATOM 1130 CE1 PHE A 120 9.623 -26.697 -26.194 1.00 9.08 C ATOM 1131 CE2 PHE A 120 11.913 -26.010 -26.222 1.00 9.74 C ATOM 1132 CZ PHE A 120 10.914 -26.762 -25.665 1.00 9.66 C ATOM 1133 H PHE A 120 9.547 -23.333 -31.570 1.00 0.00 H ATOM 1134 N ASP A 121 9.176 -27.310 -30.623 1.00 8.40 N ATOM 1135 CA ASP A 121 8.077 -28.265 -30.843 1.00 11.12 C ATOM 1136 C ASP A 121 7.529 -28.878 -29.559 1.00 11.09 C ATOM 1137 O ASP A 121 6.309 -28.959 -29.375 1.00 13.99 O ATOM 1138 CB ASP A 121 8.527 -29.392 -31.777 1.00 13.56 C ATOM 1139 CG ASP A 121 7.364 -30.019 -32.533 1.00 17.55 C ATOM 1140 OD1 ASP A 121 6.656 -29.270 -33.233 1.00 18.04 O ATOM 1141 OD2 ASP A 121 7.156 -31.249 -32.430 1.00 19.31 O ATOM 1142 H ASP A 121 10.155 -27.655 -30.562 1.00 0.00 H ATOM 1143 N ALA A 122 8.420 -29.318 -28.680 1.00 10.34 N ATOM 1144 CA ALA A 122 8.007 -30.063 -27.502 1.00 9.76 C ATOM 1145 C ALA A 122 9.162 -30.238 -26.522 1.00 9.04 C ATOM 1146 O ALA A 122 10.316 -30.049 -26.871 1.00 9.52 O ATOM 1147 CB ALA A 122 7.475 -31.435 -27.922 1.00 11.29 C ATOM 1148 H ALA A 122 9.430 -29.127 -28.836 1.00 0.00 H ATOM 1149 N SER A 123 8.840 -30.601 -25.289 1.00 10.51 N ATOM 1150 CA SER A 123 9.822 -31.174 -24.381 1.00 11.27 C ATOM 1151 C SER A 123 9.349 -32.583 -24.045 1.00 13.39 C ATOM 1152 O SER A 123 8.151 -32.816 -23.955 1.00 14.43 O ATOM 1153 CB SER A 123 9.950 -30.326 -23.123 1.00 12.08 C ATOM 1154 OG SER A 123 8.777 -30.409 -22.347 1.00 14.20 O ATOM 1155 HG SER A 123 8.008 -30.082 -22.878 1.00 0.00 H ATOM 1156 H SER A 123 7.861 -30.473 -24.962 1.00 0.00 H ATOM 1157 N VAL A 124 10.275 -33.524 -23.873 1.00 12.97 N ATOM 1158 CA VAL A 124 9.903 -34.925 -23.697 1.00 14.75 C ATOM 1159 C VAL A 124 10.815 -35.634 -22.694 1.00 15.28 C ATOM 1160 O VAL A 124 10.500 -36.758 -22.268 1.00 16.96 O ATOM 1161 CB VAL A 124 9.955 -35.686 -25.033 1.00 17.48 C ATOM 1162 CG1 VAL A 124 8.972 -35.097 -26.029 1.00 18.99 C ATOM 1163 CG2 VAL A 124 11.365 -35.666 -25.593 1.00 16.89 C ATOM 1164 OXT VAL A 124 11.881 -35.116 -22.311 1.00 14.89 O ATOM 1165 H VAL A 124 11.280 -33.257 -23.864 1.00 0.00 H TER 1166 VAL A 124 HETATM 1167 O HOH 1 15.931 -33.739 -39.766 1.00 88.42 O HETATM 1168 O HOH 2 6.973 -22.381 -34.348 1.00 51.97 O HETATM 1169 O HOH 3 -0.853 -9.074 -20.391 1.00 37.49 O HETATM 1170 O HOH 4 4.020 -23.867 -15.433 1.00 30.58 O HETATM 1171 O HOH 5 2.442 -28.193 -13.668 1.00 43.94 O HETATM 1172 O HOH 6 10.778 -7.709 -28.427 1.00 54.12 O HETATM 1173 O HOH 7 -0.223 -6.339 -32.136 1.00 57.29 O HETATM 1174 O HOH 8 7.087 -19.516 -30.108 1.00 54.94 O HETATM 1175 O HOH 9 -5.060 -19.474 -24.012 1.00 39.97 O HETATM 1176 O HOH 10 6.305 -29.512 -19.585 1.00 64.70 O HETATM 1177 O HOH 11 16.286 -39.151 -20.773 1.00 35.77 O HETATM 1178 O HOH 12 -6.835 -16.693 -21.316 1.00 26.92 O HETATM 1179 O HOH 13 15.587 -40.485 -36.850 1.00 38.50 O HETATM 1180 O HOH 14 12.094 -13.562 -12.142 1.00 18.71 O HETATM 1181 O HOH 15 4.518 -30.107 -27.997 1.00 27.11 O HETATM 1182 O HOH 16 15.657 -28.322 -41.986 1.00 37.28 O HETATM 1183 O HOH 17 13.317 -37.823 -39.520 1.00 55.21 O HETATM 1184 O HOH 18 23.540 -27.349 -36.940 1.00 39.93 O HETATM 1185 O HOH 19 27.787 -26.968 -21.824 1.00 26.59 O HETATM 1186 O HOH 20 16.333 -13.570 -14.300 1.00 37.98 O HETATM 1187 O HOH 21 -10.273 -10.568 -22.917 1.00 38.55 O HETATM 1188 O HOH 22 -5.855 -12.103 -15.516 1.00 38.18 O HETATM 1189 O HOH 23 0.399 -11.514 -29.496 1.00 51.72 O HETATM 1190 O HOH 24 12.660 -8.593 -25.255 1.00 23.51 O HETATM 1191 O HOH 25 21.172 -26.800 -17.090 1.00 19.91 O HETATM 1192 O HOH 26 -14.792 -11.227 -21.457 1.00 56.66 O HETATM 1193 O HOH 27 26.814 -28.900 -27.007 1.00 36.82 O HETATM 1194 O HOH 28 7.779 -27.923 -22.562 1.00 22.79 O HETATM 1195 O HOH 29 -4.744 -13.910 -12.524 1.00 58.50 O HETATM 1196 O HOH 30 11.048 -18.588 -35.330 1.00 12.77 O HETATM 1197 O HOH 31 15.783 -13.444 -17.448 1.00 24.41 O HETATM 1198 O HOH 32 -3.726 -16.034 -11.978 1.00 38.58 O HETATM 1199 O HOH 33 6.890 -16.922 -37.087 1.00 49.71 O HETATM 1200 O HOH 34 -5.168 -20.998 -22.018 1.00 31.85 O HETATM 1201 O HOH 35 23.923 -17.871 -17.112 1.00 40.36 O HETATM 1202 O HOH 36 4.472 -23.340 -33.669 1.00 62.78 O HETATM 1203 O HOH 37 16.142 -36.927 -19.467 1.00 24.50 O HETATM 1204 O HOH 38 -6.471 -20.304 -18.646 1.00 27.39 O HETATM 1205 O HOH 39 -5.347 -17.117 -26.262 1.00 43.46 O HETATM 1206 O HOH 40 24.339 -25.034 -21.580 1.00 8.48 O HETATM 1207 O HOH 41 22.352 -15.033 -32.067 1.00 22.13 O HETATM 1208 O HOH 42 5.012 -7.035 -24.597 1.00 48.39 O HETATM 1209 O HOH 43 -8.493 -9.001 -18.269 1.00 41.27 O HETATM 1210 O HOH 44 24.738 -35.999 -36.195 1.00 18.52 O HETATM 1211 O HOH 45 13.425 -23.368 -14.550 1.00 12.80 O HETATM 1212 O HOH 46 0.442 -14.083 -28.356 1.00 49.51 O HETATM 1213 O HOH 47 15.042 -21.540 -8.972 1.00 61.94 O HETATM 1214 O HOH 48 19.451 -16.528 -27.212 1.00 11.23 O HETATM 1215 O HOH 49 20.967 -24.231 -16.641 1.00 29.77 O HETATM 1216 O HOH 50 -3.473 -6.605 -30.729 1.00 47.03 O HETATM 1217 O HOH 51 26.076 -31.434 -38.025 1.00 49.02 O HETATM 1218 O HOH 52 10.148 -19.438 -32.348 1.00 15.35 O HETATM 1219 O HOH 53 1.640 -20.443 -31.276 1.00 56.79 O HETATM 1220 O HOH 54 20.866 -19.606 -39.884 1.00 10.38 O HETATM 1221 O HOH 55 6.987 -19.339 -34.076 1.00 61.75 O HETATM 1222 O HOH 56 1.499 -10.781 -20.775 1.00 34.39 O HETATM 1223 O HOH 57 13.534 -40.778 -28.872 1.00 33.71 O HETATM 1224 O HOH 58 21.394 -17.001 -25.450 1.00 12.93 O HETATM 1225 O HOH 59 4.456 -19.060 -10.731 1.00 13.87 O HETATM 1226 O HOH 60 24.005 -18.766 -45.020 1.00 11.29 O HETATM 1227 O HOH 61 3.704 -8.988 -24.736 1.00 27.39 O HETATM 1228 O HOH 62 10.227 -12.170 -36.794 1.00 20.12 O HETATM 1229 O HOH 63 13.687 -8.421 -32.366 1.00 17.91 O HETATM 1230 O HOH 64 20.554 -40.910 -32.350 1.00 10.48 O HETATM 1231 O HOH 65 14.751 -25.843 -14.744 1.00 11.54 O HETATM 1232 O HOH 66 23.530 -29.947 -26.992 1.00 11.69 O HETATM 1233 O HOH 67 17.839 -19.956 -33.060 1.00 7.61 O HETATM 1234 O HOH 68 4.741 -29.273 -35.213 1.00 25.06 O HETATM 1235 O HOH 69 24.036 -27.916 -34.908 1.00 27.68 O HETATM 1236 O HOH 70 18.743 -15.950 -11.756 1.00 42.48 O HETATM 1237 O HOH 71 28.298 -23.715 -24.068 1.00 21.38 O HETATM 1238 O HOH 72 6.443 -13.287 -30.661 1.00 25.34 O HETATM 1239 O HOH 73 21.816 -32.148 -26.284 1.00 11.18 O HETATM 1240 O HOH 74 4.803 -16.764 -32.941 1.00 50.17 O HETATM 1241 O HOH 75 23.920 -19.293 -14.044 1.00 42.12 O HETATM 1242 O HOH 76 15.615 -17.358 -7.188 1.00 26.49 O HETATM 1243 O HOH 77 21.156 -12.998 -14.979 1.00 72.39 O HETATM 1244 O HOH 78 24.794 -33.214 -27.399 1.00 80.91 O HETATM 1245 O HOH 79 26.644 -25.313 -31.445 1.00 18.94 O HETATM 1246 O HOH 80 -6.028 -18.648 -11.607 1.00 49.89 O HETATM 1247 O HOH 81 20.161 -16.576 -34.527 1.00 59.63 O HETATM 1248 O HOH 82 14.963 -39.909 -23.508 1.00 49.35 O HETATM 1249 O HOH 83 10.527 -24.960 -40.375 1.00 42.69 O HETATM 1250 O HOH 84 16.862 -3.287 -41.718 1.00 14.06 O HETATM 1251 O HOH 85 26.737 -23.282 -32.810 1.00 38.00 O HETATM 1252 O HOH 86 7.793 -37.478 -22.486 1.00 20.47 O HETATM 1253 O HOH 87 -11.317 -17.230 -15.712 1.00 48.64 O HETATM 1254 O HOH 88 12.457 -1.843 -39.797 1.00 29.89 O HETATM 1255 O HOH 89 23.609 -20.502 -19.618 1.00 43.54 O HETATM 1256 O HOH 90 3.428 -25.659 -32.713 1.00 54.93 O HETATM 1257 O HOH 91 -13.434 -15.821 -19.929 1.00 25.68 O HETATM 1258 O HOH 92 20.333 -18.894 -33.165 1.00 11.48 O HETATM 1259 O HOH 93 8.638 -21.751 -31.676 1.00 13.38 O HETATM 1260 O HOH 94 13.497 -31.299 -12.571 1.00 29.39 O HETATM 1261 O HOH 95 5.772 -34.340 -24.046 1.00 34.10 O HETATM 1262 O HOH 96 14.277 -1.305 -41.470 1.00 27.50 O HETATM 1263 O HOH 97 -9.904 -16.572 -17.181 1.00 30.18 O HETATM 1264 O HOH 98 26.593 -19.909 -30.918 1.00 35.31 O HETATM 1265 O HOH 99 19.225 -30.889 -16.869 1.00 8.87 O HETATM 1266 O HOH 100 0.990 -21.899 -26.864 1.00 19.69 O HETATM 1267 O HOH 101 -10.170 -13.607 -14.345 1.00 54.26 O HETATM 1268 O HOH 102 27.892 -27.029 -27.851 1.00 37.04 O HETATM 1269 O HOH 103 15.370 -10.870 -21.855 1.00 38.03 O HETATM 1270 O HOH 104 2.910 -11.476 -29.180 1.00 35.11 O HETATM 1271 O HOH 105 2.604 -11.778 -18.845 1.00 18.78 O HETATM 1272 O HOH 106 4.013 -28.369 -30.947 1.00 42.75 O HETATM 1273 O HOH 107 8.219 -7.611 -18.059 1.00 22.97 O HETATM 1274 O HOH 108 2.818 -10.331 -10.652 1.00 36.83 O HETATM 1275 O HOH 109 22.134 -31.706 -39.087 1.00 30.19 O HETATM 1276 O HOH 110 19.934 -15.281 -37.082 1.00 35.95 O HETATM 1277 O HOH 111 4.758 -26.479 -30.976 1.00 44.17 O HETATM 1278 O HOH 112 29.293 -26.086 -25.167 1.00 37.71 O HETATM 1279 O HOH 113 10.177 -5.490 -23.672 1.00 36.03 O HETATM 1280 O HOH 114 4.594 -16.593 -5.341 1.00 13.92 O HETATM 1281 O HOH 115 18.075 -20.103 -39.561 1.00 9.48 O HETATM 1282 O HOH 116 -11.632 -19.473 -14.875 1.00 18.01 O HETATM 1283 O HOH 117 17.262 -24.839 -44.266 1.00 16.99 O HETATM 1284 O HOH 118 23.016 -25.758 -43.407 1.00 26.39 O HETATM 1285 O HOH 119 5.856 -30.443 -24.994 1.00 16.19 O HETATM 1286 O HOH 120 12.395 -39.557 -25.848 1.00 33.50 O HETATM 1287 O HOH 121 6.780 -28.215 -37.079 1.00 31.59 O HETATM 1288 O HOH 122 5.038 -14.252 -32.896 1.00 55.53 O HETATM 1289 O HOH 123 20.416 -37.102 -21.186 1.00 7.44 O HETATM 1290 O HOH 124 16.989 -37.949 -26.393 1.00 12.76 O HETATM 1291 O HOH 125 16.955 -11.931 -21.325 1.00 36.15 O HETATM 1292 O HOH 126 19.555 -15.688 -23.579 1.00 15.27 O HETATM 1293 O HOH 127 8.662 -25.602 -10.441 1.00 32.93 O HETATM 1294 O HOH 128 17.929 -27.607 -13.229 1.00 34.00 O HETATM 1295 O HOH 129 4.522 -36.641 -42.659 1.00 58.23 O HETATM 1296 O HOH 130 -10.266 -8.009 -20.297 1.00 46.65 O HETATM 1297 O HOH 131 9.750 -30.836 -12.812 1.00 30.82 O HETATM 1298 O HOH 132 25.380 -25.617 -39.501 1.00 27.74 O HETATM 1299 O HOH 133 10.865 -25.411 -8.456 1.00 52.58 O HETATM 1300 O HOH 134 -0.639 -24.390 -20.851 1.00 63.68 O HETATM 1301 O HOH 135 0.544 -27.027 -13.767 1.00 57.94 O HETATM 1302 O HOH 136 7.710 -34.046 -31.668 1.00 38.27 O HETATM 1303 O HOH 137 25.843 -32.745 -21.748 1.00 30.13 O HETATM 1304 O HOH 138 25.065 -18.586 -24.784 1.00 14.62 O HETATM 1305 O HOH 139 19.785 -13.183 -37.014 1.00 32.78 O HETATM 1306 O HOH 140 20.632 -25.603 -14.586 1.00 53.52 O HETATM 1307 O HOH 141 19.137 -16.265 -38.991 1.00 24.00 O HETATM 1308 O HOH 142 10.732 -25.845 -38.398 1.00 33.20 O HETATM 1309 O HOH 143 0.592 -15.547 -11.977 1.00 27.55 O HETATM 1310 O HOH 144 9.766 -9.085 -34.444 1.00 38.00 O HETATM 1311 O HOH 145 19.429 -38.614 -36.367 1.00 29.13 O HETATM 1312 O HOH 146 18.337 -21.439 -10.232 1.00 43.73 O HETATM 1313 O HOH 147 3.641 -13.842 -9.139 1.00 37.64 O HETATM 1314 O HOH 148 1.487 -27.740 -31.000 1.00 61.15 O HETATM 1315 O HOH 149 18.878 -11.415 -16.962 1.00 50.61 O HETATM 1316 O HOH 150 -6.199 -14.705 -24.892 1.00 26.68 O HETATM 1317 O HOH 151 13.412 -40.820 -34.618 1.00 37.88 O HETATM 1318 O HOH 152 24.739 -23.163 -14.730 1.00 32.77 O HETATM 1319 O HOH 153 4.134 -8.934 -13.113 1.00 24.79 O HETATM 1320 O HOH 154 12.442 -35.629 -17.631 1.00 25.10 O HETATM 1321 O HOH 155 24.815 -25.714 -36.425 1.00 34.26 O HETATM 1322 O HOH 156 18.817 -38.930 -25.107 1.00 33.13 O HETATM 1323 O HOH 157 6.287 -10.598 -31.209 1.00 70.96 O HETATM 1324 O HOH 158 25.249 -17.082 -18.689 1.00 54.57 O HETATM 1325 O HOH 159 -4.777 -21.910 -12.306 1.00 39.68 O HETATM 1326 O HOH 160 12.215 -9.845 -18.114 1.00 35.83 O HETATM 1327 O HOH 161 26.725 -19.973 -26.453 1.00 14.77 O HETATM 1328 O HOH 162 8.074 -33.983 -43.511 1.00 62.04 O HETATM 1329 O HOH 163 12.624 -11.580 -15.549 1.00 43.73 O HETATM 1330 O HOH 164 25.671 -31.992 -31.249 1.00 28.57 O HETATM 1331 O HOH 165 18.015 -19.200 -11.035 1.00 33.31 O HETATM 1332 O HOH 166 15.451 -35.163 -15.523 1.00 19.51 O HETATM 1333 O HOH 167 16.149 -25.241 -9.360 1.00 50.65 O HETATM 1334 O HOH 168 21.300 -33.592 -38.441 1.00 64.49 O HETATM 1335 O HOH 169 6.113 -33.396 -30.402 1.00 42.35 O HETATM 1336 O HOH 170 17.358 -40.321 -22.632 1.00 42.50 O HETATM 1337 O HOH 171 6.600 -12.068 -33.535 1.00 45.75 O HETATM 1338 O HOH 172 18.666 -13.317 -15.114 1.00 41.37 O HETATM 1339 O HOH 173 20.288 -35.361 -39.774 1.00 34.27 O HETATM 1340 O HOH 174 25.758 -21.258 -35.090 1.00 34.11 O HETATM 1341 O HOH 175 11.178 -6.128 -40.178 1.00 10.02 O HETATM 1342 O HOH 176 10.300 -39.390 -24.017 1.00 49.34 O HETATM 1343 O HOH 177 13.176 -34.319 -14.527 1.00 59.34 O HETATM 1344 O HOH 178 7.475 -4.937 -23.806 1.00 50.33 O HETATM 1345 O HOH 179 12.471 -29.345 -11.732 1.00 56.11 O HETATM 1346 O HOH 180 29.073 -23.506 -44.603 1.00 50.13 O HETATM 1347 O HOH 181 23.136 -16.610 -41.627 1.00 23.75 O HETATM 1348 O HOH 182 22.129 -21.330 -18.331 1.00 36.09 O HETATM 1349 O HOH 183 25.192 -17.827 -33.212 1.00 33.42 O HETATM 1350 O HOH 184 21.257 -13.759 -33.094 1.00 41.11 O HETATM 1351 O HOH 185 16.704 -19.911 -9.374 1.00 41.02 O HETATM 1352 O HOH 186 9.150 -8.330 -30.771 1.00 31.65 O HETATM 1353 O HOH 187 17.937 -39.921 -35.954 1.00 27.90 O HETATM 1354 O HOH 188 7.265 -12.177 -36.311 1.00 37.57 O HETATM 1355 O HOH 189 19.743 -28.049 -13.906 1.00 22.49 O HETATM 1356 O HOH 190 29.024 -22.475 -46.475 1.00 49.12 O HETATM 1357 O HOH 191 25.766 -17.132 -42.046 1.00 39.61 O HETATM 1358 O HOH 192 9.315 -27.891 -37.729 1.00 56.86 O HETATM 1359 O HOH 193 11.261 -4.911 -37.641 1.00 27.38 O HETATM 1360 O HOH 194 16.951 -11.900 -18.871 1.00 60.16 O HETATM 1361 O HOH 195 0.057 -7.169 -34.170 1.00 54.39 O HETATM 1362 O HOH 196 7.946 -20.776 -35.614 1.00 42.67 O HETATM 1363 O HOH 197 24.650 -15.037 -15.991 1.00 56.62 O HETATM 1364 O HOH 198 24.501 -15.592 -20.396 1.00 45.71 O HETATM 1365 O HOH 199 8.312 -37.176 -31.526 1.00 51.00 O HETATM 1366 O HOH 200 -16.676 -11.973 -18.795 1.00 64.58 O HETATM 1367 O HOH 201 24.863 -18.813 -35.151 1.00 42.50 O HETATM 1368 O HOH 202 5.637 -12.926 -7.657 1.00 36.77 O HETATM 1369 O HOH 203 16.093 -26.761 -12.445 1.00 25.83 O HETATM 1370 O HOH 204 11.803 -2.110 -37.911 1.00 26.01 O HETATM 1371 O HOH 205 5.155 -20.908 -8.925 1.00 45.82 O HETATM 1372 O HOH 206 2.322 -23.834 -34.183 1.00 57.22 O HETATM 1373 O HOH 207 10.119 -21.189 -9.815 1.00 37.00 O HETATM 1374 O HOH 208 21.737 -18.080 -35.279 1.00 24.35 O HETATM 1375 O HOH 209 26.144 -30.672 -27.561 1.00 29.12 O HETATM 1376 O HOH 210 28.035 -30.681 -36.960 1.00 46.41 O HETATM 1377 O HOH 211 25.387 -20.686 -20.772 1.00 47.44 O HETATM 1378 O HOH 212 -7.430 -15.477 -9.024 1.00 54.90 O HETATM 1379 O HOH 213 10.147 -20.685 -38.587 1.00 38.16 O HETATM 1380 O HOH 214 3.603 -8.976 -15.530 1.00 40.86 O HETATM 1381 O HOH 215 2.361 -26.740 -11.785 1.00 59.42 O HETATM 1382 O HOH 216 8.290 -5.835 -20.063 1.00 32.60 O HETATM 1383 O HOH 217 11.570 -19.934 -8.523 1.00 42.67 O HETATM 1384 O HOH 218 10.521 -15.050 -38.819 1.00 43.60 O HETATM 1385 O HOH 219 10.720 -4.422 -26.112 1.00 39.02 O HETATM 1386 O HOH 220 7.315 -4.890 -30.695 1.00 48.57 O HETATM 1387 O HOH 221 9.221 -20.387 -8.034 1.00 39.98 O HETATM 1388 O HOH 222 -14.528 -9.419 -19.346 1.00 36.46 O HETATM 1389 O HOH 223 19.263 -32.430 -14.532 1.00 13.47 O HETATM 1390 O HOH 224 11.486 -7.683 -31.475 1.00 49.56 O HETATM 1391 O HOH 225 6.106 -36.987 -31.998 1.00 59.99 O HETATM 1392 O HOH 226 13.539 -39.933 -39.112 1.00 54.15 O HETATM 1393 O HOH 227 12.408 -8.584 -27.278 1.00 47.91 O HETATM 1394 O HOH 228 0.607 -27.044 -27.443 1.00 50.72 O HETATM 1395 O HOH 229 28.574 -26.546 -29.827 1.00 37.72 O HETATM 1396 O HOH 230 28.177 -24.091 -21.326 1.00 51.80 O HETATM 1397 O HOH 231 27.034 -32.943 -24.362 1.00 54.55 O HETATM 1398 O HOH 232 2.316 -15.675 -9.502 1.00 48.85 O HETATM 1399 O HOH 233 -1.550 -18.497 -28.904 1.00 31.27 O HETATM 1400 O HOH 234 -10.086 -5.966 -18.717 1.00 38.40 O HETATM 1401 O HOH 235 27.001 -18.812 -28.907 1.00 38.82 O HETATM 1402 O HOH 236 7.279 -8.630 -31.989 1.00 47.35 O HETATM 1403 O HOH 237 -4.117 -19.025 -28.602 1.00 31.00 O HETATM 1404 O HOH 238 5.979 -15.746 -39.079 1.00 46.72 O HETATM 1405 O HOH 239 2.045 -28.927 -29.211 1.00 48.96 O HETATM 1406 O HOH 240 26.971 -26.247 -44.235 1.00 55.35 O HETATM 1407 O HOH 241 1.532 -9.903 -14.351 1.00 44.95 O HETATM 1408 O HOH 242 25.811 -23.881 -19.913 1.00 26.24 O HETATM 1409 O HOH 243 -7.173 -12.264 -11.002 1.00 44.82 O HETATM 1410 O HOH 244 -10.920 -6.552 -22.477 1.00 63.22 O HETATM 1411 O HOH 245 -7.994 -4.395 -14.542 1.00 50.58 O HETATM 1412 O HOH 246 28.451 -18.994 -44.321 1.00 45.11 O HETATM 1413 O HOH 247 28.977 -21.083 -25.470 1.00 28.33 O HETATM 1414 O HOH 248 13.665 -41.505 -25.416 1.00 46.24 O HETATM 1415 O HOH 249 8.068 -18.785 -36.645 1.00 77.26 O HETATM 1416 O HOH 250 -7.936 -12.642 -26.659 1.00 43.83 O HETATM 1417 O HOH 251 -9.368 -6.443 -24.399 1.00 49.83 O HETATM 1418 O HOH 252 24.070 -16.080 -25.445 1.00 18.11 O HETATM 1419 O HOH 253 25.835 -23.855 -35.616 1.00 50.38 O HETATM 1420 O HOH 254 27.038 -27.590 -33.103 1.00 34.85 O HETATM 1421 O HOH 255 14.781 0.713 -42.005 1.00 40.50 O HETATM 1422 O HOH 256 28.552 -23.325 -31.558 1.00 38.73 O HETATM 1423 O HOH 257 -0.019 -20.708 -29.048 1.00 31.85 O HETATM 1424 O HOH 258 8.890 -23.389 -38.177 1.00 43.10 O HETATM 1425 O HOH 259 26.349 -19.128 -17.626 1.00 45.63 O HETATM 1426 O HOH 260 12.644 -41.332 -30.918 1.00 46.66 O HETATM 1427 O HOH 261 -1.435 -15.494 -11.056 1.00 40.23 O HETATM 1428 O HOH 262 23.344 -33.928 -39.064 1.00 51.21 O HETATM 1429 O HOH 263 29.055 -21.247 -31.375 1.00 44.18 O HETATM 1430 O HOH 264 28.494 -30.816 -24.271 1.00 53.75 O HETATM 1431 O HOH 265 -0.865 -16.271 -29.767 1.00 49.26 O HETATM 1432 O HOH 266 12.316 -42.113 -35.952 1.00 47.69 O HETATM 1433 O HOH 267 9.654 -17.479 -37.668 1.00 25.01 O HETATM 1434 O HOH 268 12.192 0.741 -40.659 1.00 31.26 O HETATM 1435 O HOH 269 6.304 -4.185 -21.641 1.00 53.74 O HETATM 1436 O HOH 270 25.946 -18.889 -22.184 1.00 23.99 O HETATM 1437 O HOH 271 21.374 -17.713 -37.956 1.00 14.42 O HETATM 1438 O HOH 272 27.942 -23.980 -38.685 1.00 45.48 O HETATM 1439 O HOH 273 7.836 -37.451 -29.060 1.00 43.60 O HETATM 1440 O HOH 274 -6.584 -16.822 -28.803 1.00 37.93 O HETATM 1441 O HOH 275 5.836 -20.967 -6.738 1.00 53.66 O HETATM 1442 O HOH 276 -8.012 -4.683 -24.499 1.00 44.09 O HETATM 1443 O HOH 277 -0.599 -27.872 -37.167 1.00 43.13 O HETATM 1444 O HOH 278 22.024 -29.153 -42.729 1.00 41.44 O HETATM 1445 O HOH 279 5.991 -7.931 -34.077 1.00 59.60 O HETATM 1446 N1 U A 3 5.178 -24.438 -27.410 1.00 -0.16 N HETATM 1447 C2 U A 3 6.116 -24.274 -26.340 1.00 0.33 C HETATM 1448 N3 U A 3 6.432 -25.399 -25.511 1.00 -0.19 N HETATM 1449 C4 U A 3 5.849 -26.653 -25.729 1.00 0.18 C HETATM 1450 C5 U A 3 4.861 -26.821 -26.829 1.00 0.01 C HETATM 1451 C6 U A 3 4.544 -25.734 -27.630 1.00 0.06 C HETATM 1452 H3 U A 3 3.815 -25.849 -28.431 1.00 0.12 H HETATM 1453 H2 U A 3 4.391 -27.788 -27.003 1.00 0.03 H HETATM 1454 O4 U A 3 6.161 -27.582 -24.977 1.00 -0.41 O HETATM 1455 H1 U A 3 7.083 -25.286 -24.760 1.00 0.23 H HETATM 1456 O2 U A 3 6.664 -23.197 -26.143 1.00 -0.38 O HETATM 1457 C1' U A 3 4.806 -23.348 -28.263 1.00 0.21 C HETATM 1458 O4' U A 3 3.412 -23.303 -28.252 1.00 -0.34 O HETATM 1459 C4' U A 3 3.057 -22.831 -29.538 1.00 0.12 C HETATM 1460 C5' U A 3 1.992 -23.735 -30.134 1.00 0.07 C HETATM 1461 O5' U A 3 2.442 -25.027 -30.149 1.00 -0.39 O HETATM 1462 H4 U A 3 3.232 -25.080 -30.674 1.00 0.21 H HETATM 1463 H5 U A 3 1.077 -23.673 -29.526 1.00 0.06 H HETATM 1464 H6 U A 3 1.772 -23.412 -31.162 1.00 0.06 H HETATM 1465 C3' U A 3 4.280 -22.708 -30.402 1.00 0.15 C HETATM 1466 O3' U A 3 4.589 -21.361 -30.553 1.00 -0.27 O HETATM 1467 P U A 3 4.885 -20.770 -31.970 1.00 0.20 P HETATM 1468 O1P U A 3 5.243 -19.318 -31.973 1.00 -0.55 O HETATM 1469 O2P U A 3 3.725 -20.897 -32.928 1.00 -0.55 O HETATM 1470 O3P U A 3 6.016 -21.438 -32.671 1.00 -0.55 O HETATM 1471 C2' U A 3 5.279 -23.498 -29.668 1.00 0.14 C HETATM 1472 O2' U A 3 6.550 -23.031 -29.836 1.00 -0.38 O HETATM 1473 H10 U A 3 7.154 -23.574 -29.343 1.00 0.21 H HETATM 1474 H9 U A 3 5.247 -24.552 -29.981 1.00 0.07 H HETATM 1475 H8 U A 3 4.112 -23.147 -31.396 1.00 0.07 H HETATM 1476 H7 U A 3 2.623 -21.826 -29.431 1.00 0.07 H HETATM 1477 H11 U A 3 5.217 -22.413 -27.853 1.00 0.10 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 254 253 793 CONECT 387 386 902 CONECT 549 548 1039 CONECT 614 613 677 CONECT 677 614 676 CONECT 793 254 792 CONECT 902 387 901 CONECT 1039 549 1038 CONECT 1446 1447 1451 1457 CONECT 1447 1446 1448 1456 CONECT 1448 1447 1449 1455 CONECT 1449 1448 1450 1454 CONECT 1450 1449 1451 1453 CONECT 1451 1446 1450 1452 CONECT 1452 1451 CONECT 1453 1450 CONECT 1454 1449 CONECT 1455 1448 CONECT 1456 1447 CONECT 1457 1446 1458 1471 1477 CONECT 1458 1457 1459 CONECT 1459 1458 1460 1465 1476 CONECT 1460 1459 1461 1463 1464 CONECT 1461 1460 1462 CONECT 1462 1461 CONECT 1463 1460 CONECT 1464 1460 CONECT 1465 1459 1466 1471 1475 CONECT 1466 1465 1467 CONECT 1467 1466 1468 1469 1470 CONECT 1468 1467 CONECT 1469 1467 CONECT 1470 1467 CONECT 1471 1457 1465 1472 1474 CONECT 1472 1471 1473 CONECT 1473 1472 CONECT 1474 1471 CONECT 1475 1465 CONECT 1476 1459 CONECT 1477 1457 MASTER 0 0 0 0 0 0 0 0 1476 1 44 10 END
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Related entries of code: 4wyz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1n3z
RCSB PDB
PDBbind
U3P
1o0n
RCSB PDB
PDBbind
U3P
4rsk
RCSB PDB
PDBbind
U3P
Entry Information
PDB ID
4wyz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ribonuclease pancreatic mutant A109G
Ligand Name
U3P
EC.Number
E.C.3.1.27.5
Resolution
1.45(Å)
Affinity (Kd/Ki/IC50)
Kd=50uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Structure Vol. 23: pp. 2256-2266
Ligand Properties
Formula
C
9
H
1
4
N
2
O
9
P
Molecular Weight
325.189
Exact Mass
325.044
No. of atoms
35
No. of bonds
36
Polar Surface Area
188.06
LOGP Value
-4.11 (
Computed with XLOGP3
)
-3.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)(O)O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H15N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14,16-18,21H,3H2,(H,10,13,15)/t4-,6-,7-,8-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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