Browse entries in the PDBbind-CN Database
HEADER 4W55_COMPLEX COMPND 4W55_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU SEQRES 2 A 164 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR SEQRES 3 A 164 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER LEU SEQRES 4 A 164 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG SEQRES 5 A 164 ASN CYS ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS SEQRES 6 A 164 LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE SEQRES 7 A 164 LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU SEQRES 8 A 164 ASP ALA VAL ARG ARG CYS ALA ALA ILE ASN MET VAL PHE SEQRES 9 A 164 GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER SEQRES 10 A 164 LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA SEQRES 11 A 164 VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO SEQRES 12 A 164 ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY SEQRES 13 A 164 THR TRP ASP ALA TYR LYS ASN LEU HET UNN A 315 21 ATOM 1 N MET A 1 -41.564 39.076 7.350 1.00 28.83 N ATOM 2 CA MET A 1 -40.707 37.916 7.154 1.00 17.44 C ATOM 3 C MET A 1 -41.481 36.729 6.592 1.00 14.70 C ATOM 4 O MET A 1 -42.673 36.544 6.859 1.00 17.16 O ATOM 5 CB MET A 1 -40.033 37.532 8.473 1.00 19.23 C ATOM 6 CG MET A 1 -39.164 36.298 8.388 1.00 16.66 C ATOM 7 SD MET A 1 -37.469 36.666 7.944 1.00 19.55 S ATOM 8 CE MET A 1 -37.152 37.962 9.145 1.00 27.64 C ATOM 9 HN3 MET A 1 -42.324 38.835 8.018 1.00 0.00 H ATOM 10 HN2 MET A 1 -41.978 39.357 6.439 1.00 0.00 H ATOM 11 HN1 MET A 1 -41.000 39.861 7.733 1.00 0.00 H ATOM 12 N ASN A 2 -40.799 35.934 5.790 1.00 12.50 N ATOM 13 CA ASN A 2 -41.367 34.716 5.245 1.00 11.91 C ATOM 14 C ASN A 2 -40.249 33.682 5.207 1.00 13.00 C ATOM 15 O ASN A 2 -39.094 33.986 5.554 1.00 12.66 O ATOM 16 CB ASN A 2 -41.957 34.987 3.846 1.00 12.24 C ATOM 17 CG ASN A 2 -40.928 35.530 2.873 1.00 13.30 C ATOM 18 OD1 ASN A 2 -39.903 34.897 2.607 1.00 12.24 O ATOM 19 ND2 ASN A 2 -41.187 36.714 2.347 1.00 13.97 N ATOM 20 HD22 ASN A 2 -42.064 37.214 2.598 1.00 0.00 H ATOM 21 HD21 ASN A 2 -40.514 37.146 1.682 1.00 0.00 H ATOM 22 H ASN A 2 -39.822 36.189 5.540 1.00 0.00 H ATOM 23 N ILE A 3 -40.579 32.468 4.768 1.00 10.26 N ATOM 24 CA ILE A 3 -39.608 31.367 4.819 1.00 9.40 C ATOM 25 C ILE A 3 -38.370 31.626 3.964 1.00 12.50 C ATOM 26 O ILE A 3 -37.240 31.214 4.324 1.00 11.38 O ATOM 27 CB ILE A 3 -40.276 30.004 4.454 1.00 10.24 C ATOM 28 CG1 ILE A 3 -39.274 28.853 4.550 1.00 9.30 C ATOM 29 CG2 ILE A 3 -40.889 30.077 3.051 1.00 11.04 C ATOM 30 CD1 ILE A 3 -38.656 28.623 5.971 1.00 10.62 C ATOM 31 H ILE A 3 -41.531 32.299 4.386 1.00 0.00 H ATOM 32 N PHE A 4 -38.553 32.318 2.841 1.00 9.53 N ATOM 33 CA PHE A 4 -37.396 32.625 1.998 1.00 10.74 C ATOM 34 C PHE A 4 -36.470 33.612 2.674 1.00 12.54 C ATOM 35 O PHE A 4 -35.240 33.437 2.644 1.00 13.48 O ATOM 36 CB PHE A 4 -37.834 33.120 0.613 1.00 11.35 C ATOM 37 CG PHE A 4 -38.479 32.051 -0.191 1.00 10.20 C ATOM 38 CD1 PHE A 4 -37.706 31.207 -0.986 1.00 14.77 C ATOM 39 CD2 PHE A 4 -39.855 31.877 -0.137 1.00 12.75 C ATOM 40 CE1 PHE A 4 -38.305 30.179 -1.708 1.00 14.82 C ATOM 41 CE2 PHE A 4 -40.454 30.850 -0.835 1.00 15.23 C ATOM 42 CZ PHE A 4 -39.698 30.027 -1.635 1.00 13.94 C ATOM 43 H PHE A 4 -39.504 32.636 2.567 1.00 0.00 H ATOM 44 N GLU A 5 -37.032 34.640 3.291 1.00 11.79 N ATOM 45 CA GLU A 5 -36.176 35.612 3.979 1.00 12.54 C ATOM 46 C GLU A 5 -35.460 34.971 5.160 1.00 14.28 C ATOM 47 O GLU A 5 -34.288 35.248 5.420 1.00 11.22 O ATOM 48 CB GLU A 5 -36.984 36.820 4.421 1.00 9.63 C ATOM 49 CG GLU A 5 -37.529 37.610 3.239 1.00 13.38 C ATOM 50 CD GLU A 5 -38.413 38.781 3.648 1.00 21.22 C ATOM 51 OE1 GLU A 5 -38.916 38.786 4.777 1.00 27.82 O ATOM 52 OE2 GLU A 5 -38.627 39.701 2.822 1.00 19.75 O ATOM 53 H GLU A 5 -38.065 34.756 3.288 1.00 0.00 H ATOM 54 N MET A 6 -36.183 34.109 5.863 1.00 10.55 N ATOM 55 CA MET A 6 -35.646 33.461 7.057 1.00 9.89 C ATOM 56 C MET A 6 -34.460 32.570 6.664 1.00 9.92 C ATOM 57 O MET A 6 -33.369 32.648 7.260 1.00 9.35 O ATOM 58 CB MET A 6 -36.742 32.613 7.680 1.00 12.37 C ATOM 59 CG MET A 6 -36.338 31.941 8.995 1.00 10.83 C ATOM 60 SD MET A 6 -37.506 30.596 9.296 1.00 10.77 S ATOM 61 CE MET A 6 -37.407 30.451 11.063 1.00 13.86 C ATOM 62 H MET A 6 -37.153 33.890 5.558 1.00 0.00 H ATOM 63 N LEU A 7 -34.658 31.715 5.661 1.00 11.06 N ATOM 64 CA LEU A 7 -33.566 30.817 5.255 1.00 10.13 C ATOM 65 C LEU A 7 -32.449 31.584 4.559 1.00 11.27 C ATOM 66 O LEU A 7 -31.295 31.201 4.689 1.00 12.04 O ATOM 67 CB LEU A 7 -34.100 29.674 4.373 1.00 9.22 C ATOM 68 CG LEU A 7 -34.677 28.517 5.192 1.00 8.93 C ATOM 69 CD1 LEU A 7 -35.514 27.582 4.259 1.00 11.03 C ATOM 70 CD2 LEU A 7 -33.524 27.743 5.848 1.00 10.93 C ATOM 71 H LEU A 7 -35.575 31.683 5.171 1.00 0.00 H ATOM 72 N ARG A 8 -32.766 32.674 3.854 1.00 11.27 N ATOM 73 CA ARG A 8 -31.682 33.496 3.262 1.00 12.83 C ATOM 74 C ARG A 8 -30.778 34.060 4.371 1.00 12.53 C ATOM 75 O ARG A 8 -29.546 34.112 4.224 1.00 13.90 O ATOM 76 CB ARG A 8 -32.267 34.625 2.410 1.00 14.51 C ATOM 77 CG ARG A 8 -31.260 35.640 1.912 1.00 14.59 C ATOM 78 CD ARG A 8 -30.213 35.030 0.999 1.00 16.75 C ATOM 79 NE ARG A 8 -29.357 36.108 0.501 1.00 21.60 N ATOM 80 CZ ARG A 8 -28.358 36.653 1.199 1.00 30.02 C ATOM 81 NH1 ARG A 8 -28.061 36.209 2.412 1.00 24.26 N ATOM 82 NH2 ARG A 8 -27.645 37.655 0.674 1.00 27.88 N ATOM 83 HE ARG A 8 -29.538 36.472 -0.456 1.00 0.00 H ATOM 84 HH12 ARG A 8 -27.281 36.641 2.947 1.00 0.00 H ATOM 85 HH11 ARG A 8 -28.608 35.429 2.829 1.00 0.00 H ATOM 86 HH22 ARG A 8 -26.867 38.080 1.217 1.00 0.00 H ATOM 87 HH21 ARG A 8 -27.869 38.009 -0.278 1.00 0.00 H ATOM 88 H ARG A 8 -33.762 32.943 3.722 1.00 0.00 H ATOM 89 N ILE A 9 -31.368 34.487 5.487 1.00 10.22 N ATOM 90 CA ILE A 9 -30.558 34.930 6.629 1.00 12.51 C ATOM 91 C ILE A 9 -29.721 33.780 7.195 1.00 13.40 C ATOM 92 O ILE A 9 -28.503 33.923 7.462 1.00 14.53 O ATOM 93 CB ILE A 9 -31.463 35.523 7.719 1.00 12.26 C ATOM 94 CG1 ILE A 9 -31.972 36.887 7.263 1.00 15.67 C ATOM 95 CG2 ILE A 9 -30.722 35.644 9.079 1.00 17.30 C ATOM 96 CD1 ILE A 9 -33.134 37.379 8.051 1.00 16.81 C ATOM 97 H ILE A 9 -32.406 34.507 5.549 1.00 0.00 H ATOM 98 N ASP A 10 -30.349 32.621 7.394 1.00 10.96 N ATOM 99 CA ASP A 10 -29.644 31.509 8.013 1.00 11.86 C ATOM 100 C ASP A 10 -28.569 30.853 7.119 1.00 10.06 C ATOM 101 O ASP A 10 -27.561 30.343 7.628 1.00 14.94 O ATOM 102 CB ASP A 10 -30.629 30.436 8.498 1.00 11.86 C ATOM 103 CG ASP A 10 -31.397 30.868 9.740 1.00 13.05 C ATOM 104 OD1 ASP A 10 -30.869 31.702 10.501 1.00 12.95 O ATOM 105 OD2 ASP A 10 -32.511 30.349 9.972 1.00 12.06 O ATOM 106 H ASP A 10 -31.343 32.512 7.107 1.00 0.00 H ATOM 107 N GLU A 11 -28.783 30.858 5.810 1.00 10.95 N ATOM 108 CA GLU A 11 -27.866 30.153 4.903 1.00 11.23 C ATOM 109 C GLU A 11 -26.887 31.070 4.188 1.00 13.70 C ATOM 110 O GLU A 11 -25.859 30.607 3.709 1.00 16.46 O ATOM 111 CB GLU A 11 -28.666 29.359 3.862 1.00 11.34 C ATOM 112 CG GLU A 11 -29.573 28.286 4.470 1.00 13.30 C ATOM 113 CD GLU A 11 -28.835 27.061 5.041 1.00 17.80 C ATOM 114 OE1 GLU A 11 -27.575 26.933 4.899 1.00 18.39 O ATOM 115 OE2 GLU A 11 -29.525 26.194 5.617 1.00 18.55 O ATOM 116 H GLU A 11 -29.605 31.364 5.423 1.00 0.00 H ATOM 117 N GLY A 12 -27.208 32.353 4.090 1.00 14.41 N ATOM 118 CA GLY A 12 -26.374 33.260 3.314 1.00 14.66 C ATOM 119 C GLY A 12 -26.523 33.044 1.811 1.00 16.71 C ATOM 120 O GLY A 12 -27.392 32.304 1.347 1.00 15.29 O ATOM 121 H GLY A 12 -28.058 32.713 4.569 1.00 0.00 H ATOM 122 N LEU A 13 -25.679 33.713 1.038 1.00 13.91 N ATOM 123 CA LEU A 13 -25.694 33.527 -0.416 1.00 14.31 C ATOM 124 C LEU A 13 -24.256 33.560 -0.890 1.00 15.79 C ATOM 125 O LEU A 13 -23.551 34.563 -0.693 1.00 17.38 O ATOM 126 CB LEU A 13 -26.499 34.614 -1.119 1.00 16.54 C ATOM 127 CG LEU A 13 -26.337 34.677 -2.650 1.00 20.61 C ATOM 128 CD1 LEU A 13 -26.924 33.448 -3.327 1.00 19.76 C ATOM 129 CD2 LEU A 13 -27.011 35.949 -3.179 1.00 22.71 C ATOM 130 H LEU A 13 -25.001 34.375 1.466 1.00 0.00 H ATOM 131 N ARG A 14 -23.805 32.457 -1.476 1.00 13.24 N ATOM 132 CA ARG A 14 -22.467 32.409 -2.058 1.00 13.45 C ATOM 133 C ARG A 14 -22.571 31.814 -3.451 1.00 16.99 C ATOM 134 O ARG A 14 -23.235 30.807 -3.655 1.00 16.19 O ATOM 135 CB ARG A 14 -21.490 31.629 -1.153 1.00 15.89 C ATOM 136 CG ARG A 14 -21.375 32.243 0.268 1.00 16.82 C ATOM 137 CD ARG A 14 -20.409 31.471 1.200 1.00 22.67 C ATOM 138 NE ARG A 14 -19.020 31.589 0.766 1.00 23.75 N ATOM 139 CZ ARG A 14 -17.980 31.036 1.383 1.00 28.89 C ATOM 140 NH1 ARG A 14 -18.151 30.311 2.482 1.00 19.57 N ATOM 141 NH2 ARG A 14 -16.760 31.208 0.888 1.00 28.56 N ATOM 142 HE ARG A 14 -18.830 32.148 -0.090 1.00 0.00 H ATOM 143 HH12 ARG A 14 -17.330 29.883 2.956 1.00 0.00 H ATOM 144 HH11 ARG A 14 -19.106 30.171 2.869 1.00 0.00 H ATOM 145 HH22 ARG A 14 -15.941 30.779 1.364 1.00 0.00 H ATOM 146 HH21 ARG A 14 -16.624 31.771 0.025 1.00 0.00 H ATOM 147 H ARG A 14 -24.414 31.615 -1.521 1.00 0.00 H ATOM 148 N LEU A 15 -21.932 32.469 -4.425 1.00 14.12 N ATOM 149 CA LEU A 15 -22.070 32.076 -5.831 1.00 12.87 C ATOM 150 C LEU A 15 -20.999 31.095 -6.319 1.00 16.50 C ATOM 151 O LEU A 15 -21.088 30.585 -7.439 1.00 18.35 O ATOM 152 CB LEU A 15 -22.120 33.316 -6.738 1.00 16.57 C ATOM 153 CG LEU A 15 -23.271 34.309 -6.485 1.00 17.52 C ATOM 154 CD1 LEU A 15 -23.248 35.419 -7.519 1.00 25.08 C ATOM 155 CD2 LEU A 15 -24.616 33.576 -6.507 1.00 19.50 C ATOM 156 H LEU A 15 -21.323 33.276 -4.180 1.00 0.00 H ATOM 157 N LYS A 16 -20.011 30.807 -5.480 1.00 14.19 N ATOM 158 CA LYS A 16 -18.988 29.822 -5.803 1.00 14.22 C ATOM 159 C LYS A 16 -19.091 28.663 -4.834 1.00 13.28 C ATOM 160 O LYS A 16 -19.505 28.859 -3.674 1.00 15.44 O ATOM 161 CB LYS A 16 -17.596 30.473 -5.710 1.00 19.18 C ATOM 162 CG LYS A 16 -17.462 31.744 -6.536 1.00 25.97 C ATOM 163 CD LYS A 16 -16.044 32.319 -6.433 1.00 31.05 C ATOM 164 H LYS A 16 -19.966 31.299 -4.565 1.00 0.00 H ATOM 165 N ILE A 17 -18.748 27.458 -5.278 1.00 12.58 N ATOM 166 CA ILE A 17 -18.775 26.307 -4.383 1.00 12.53 C ATOM 167 C ILE A 17 -18.031 26.599 -3.090 1.00 17.89 C ATOM 168 O ILE A 17 -16.898 27.114 -3.115 1.00 17.35 O ATOM 169 CB ILE A 17 -18.181 25.055 -5.030 1.00 13.21 C ATOM 170 CG1 ILE A 17 -19.081 24.597 -6.198 1.00 10.95 C ATOM 171 CG2 ILE A 17 -18.014 23.936 -4.016 1.00 13.79 C ATOM 172 CD1 ILE A 17 -18.511 23.438 -7.018 1.00 13.64 C ATOM 173 H ILE A 17 -18.459 27.335 -6.269 1.00 0.00 H ATOM 174 N TYR A 18 -18.681 26.279 -1.968 1.00 14.01 N ATOM 175 CA TYR A 18 -18.077 26.468 -0.643 1.00 14.34 C ATOM 176 C TYR A 18 -18.357 25.244 0.224 1.00 16.37 C ATOM 177 O TYR A 18 -19.119 24.367 -0.155 1.00 14.55 O ATOM 178 CB TYR A 18 -18.638 27.735 0.042 1.00 15.42 C ATOM 179 CG TYR A 18 -20.127 27.719 0.371 1.00 13.80 C ATOM 180 CD1 TYR A 18 -21.079 28.100 -0.579 1.00 13.68 C ATOM 181 CD2 TYR A 18 -20.583 27.381 1.664 1.00 16.62 C ATOM 182 CE1 TYR A 18 -22.440 28.134 -0.284 1.00 16.04 C ATOM 183 CE2 TYR A 18 -21.965 27.401 1.963 1.00 17.09 C ATOM 184 CZ TYR A 18 -22.873 27.771 0.990 1.00 19.84 C ATOM 185 OH TYR A 18 -24.245 27.814 1.261 1.00 17.77 O ATOM 186 HH TYR A 18 -24.416 28.459 1.992 1.00 0.00 H ATOM 187 H TYR A 18 -19.641 25.885 -2.035 1.00 0.00 H ATOM 188 N LYS A 19 -17.721 25.165 1.388 1.00 16.02 N ATOM 189 CA LYS A 19 -18.057 24.101 2.324 1.00 15.76 C ATOM 190 C LYS A 19 -18.967 24.615 3.398 1.00 15.95 C ATOM 191 O LYS A 19 -18.746 25.702 3.944 1.00 18.35 O ATOM 192 CB LYS A 19 -16.810 23.500 2.967 1.00 15.44 C ATOM 193 CG LYS A 19 -15.984 22.667 2.013 1.00 17.88 C ATOM 194 CD LYS A 19 -14.758 22.133 2.709 1.00 18.88 C ATOM 195 CE LYS A 19 -13.974 21.186 1.803 1.00 22.83 C ATOM 196 NZ LYS A 19 -12.777 20.651 2.508 1.00 23.77 N ATOM 197 HZ1 LYS A 19 -12.158 21.440 2.786 1.00 0.00 H ATOM 198 HZ2 LYS A 19 -13.079 20.131 3.356 1.00 0.00 H ATOM 199 HZ3 LYS A 19 -12.260 20.010 1.873 1.00 0.00 H ATOM 200 H LYS A 19 -16.986 25.860 1.630 1.00 0.00 H ATOM 201 N ASP A 20 -19.998 23.827 3.700 1.00 13.02 N ATOM 202 CA ASP A 20 -20.974 24.223 4.688 1.00 13.84 C ATOM 203 C ASP A 20 -20.414 23.990 6.087 1.00 14.62 C ATOM 204 O ASP A 20 -19.232 23.647 6.252 1.00 15.16 O ATOM 205 CB ASP A 20 -22.322 23.525 4.468 1.00 18.29 C ATOM 206 CG ASP A 20 -22.303 22.053 4.812 1.00 22.60 C ATOM 207 OD1 ASP A 20 -21.267 21.524 5.257 1.00 16.84 O ATOM 208 OD2 ASP A 20 -23.354 21.390 4.632 1.00 24.06 O ATOM 209 H ASP A 20 -20.102 22.912 3.216 1.00 0.00 H ATOM 210 N THR A 21 -21.241 24.160 7.101 1.00 14.94 N ATOM 211 CA THR A 21 -20.773 24.054 8.487 1.00 14.97 C ATOM 212 C THR A 21 -20.251 22.656 8.801 1.00 15.84 C ATOM 213 O THR A 21 -19.477 22.468 9.747 1.00 15.18 O ATOM 214 CB THR A 21 -21.912 24.371 9.497 1.00 16.74 C ATOM 215 OG1 THR A 21 -22.937 23.373 9.402 1.00 18.86 O ATOM 216 CG2 THR A 21 -22.502 25.771 9.259 1.00 15.50 C ATOM 217 HG1 THR A 21 -23.659 23.580 10.047 1.00 0.00 H ATOM 218 H THR A 21 -22.242 24.373 6.914 1.00 0.00 H ATOM 219 N GLU A 22 -20.719 21.651 8.037 1.00 14.12 N ATOM 220 CA GLU A 22 -20.284 20.265 8.243 1.00 14.55 C ATOM 221 C GLU A 22 -19.111 19.858 7.349 1.00 14.87 C ATOM 222 O GLU A 22 -18.671 18.700 7.375 1.00 17.19 O ATOM 223 CB GLU A 22 -21.438 19.292 8.005 1.00 15.88 C ATOM 224 CG GLU A 22 -22.650 19.558 8.880 1.00 17.27 C ATOM 225 CD GLU A 22 -22.492 19.104 10.319 1.00 31.56 C ATOM 226 OE1 GLU A 22 -21.486 18.442 10.644 1.00 26.61 O ATOM 227 OE2 GLU A 22 -23.403 19.411 11.124 1.00 29.02 O ATOM 228 H GLU A 22 -21.404 21.862 7.284 1.00 0.00 H ATOM 229 N GLY A 23 -18.608 20.803 6.561 1.00 13.41 N ATOM 230 CA GLY A 23 -17.516 20.523 5.643 1.00 13.72 C ATOM 231 C GLY A 23 -17.920 19.973 4.283 1.00 17.88 C ATOM 232 O GLY A 23 -17.068 19.489 3.547 1.00 18.70 O ATOM 233 H GLY A 23 -19.004 21.764 6.602 1.00 0.00 H ATOM 234 N TYR A 24 -19.205 20.072 3.931 1.00 14.41 N ATOM 235 CA TYR A 24 -19.695 19.516 2.664 1.00 12.87 C ATOM 236 C TYR A 24 -19.852 20.557 1.580 1.00 11.87 C ATOM 237 O TYR A 24 -20.316 21.665 1.819 1.00 12.72 O ATOM 238 CB TYR A 24 -21.067 18.889 2.857 1.00 11.23 C ATOM 239 CG TYR A 24 -21.107 17.737 3.820 1.00 17.13 C ATOM 240 CD1 TYR A 24 -20.154 16.732 3.771 1.00 21.92 C ATOM 241 CD2 TYR A 24 -22.098 17.665 4.776 1.00 18.63 C ATOM 242 CE1 TYR A 24 -20.204 15.660 4.655 1.00 30.12 C ATOM 243 CE2 TYR A 24 -22.141 16.603 5.675 1.00 21.10 C ATOM 244 CZ TYR A 24 -21.198 15.615 5.609 1.00 31.04 C ATOM 245 OH TYR A 24 -21.269 14.559 6.509 1.00 32.25 O ATOM 246 HH TYR A 24 -20.524 13.930 6.337 1.00 0.00 H ATOM 247 H TYR A 24 -19.872 20.553 4.568 1.00 0.00 H ATOM 248 N TYR A 25 -19.515 20.169 0.354 1.00 12.13 N ATOM 249 CA TYR A 25 -19.594 21.098 -0.763 1.00 13.00 C ATOM 250 C TYR A 25 -21.038 21.526 -1.010 1.00 11.32 C ATOM 251 O TYR A 25 -21.936 20.693 -1.133 1.00 12.82 O ATOM 252 CB TYR A 25 -18.992 20.476 -2.027 1.00 12.72 C ATOM 253 CG TYR A 25 -17.494 20.313 -1.935 1.00 13.64 C ATOM 254 CD1 TYR A 25 -16.675 21.426 -1.798 1.00 15.73 C ATOM 255 CD2 TYR A 25 -16.916 19.052 -1.998 1.00 16.73 C ATOM 256 CE1 TYR A 25 -15.286 21.286 -1.715 1.00 19.41 C ATOM 257 CE2 TYR A 25 -15.523 18.897 -1.917 1.00 19.97 C ATOM 258 CZ TYR A 25 -14.733 20.018 -1.787 1.00 22.27 C ATOM 259 OH TYR A 25 -13.355 19.885 -1.701 1.00 29.07 O ATOM 260 HH TYR A 25 -13.126 19.336 -0.910 1.00 0.00 H ATOM 261 H TYR A 25 -19.192 19.194 0.192 1.00 0.00 H ATOM 262 N THR A 26 -21.198 22.842 -1.116 1.00 10.74 N ATOM 263 CA THR A 26 -22.487 23.527 -1.135 1.00 12.41 C ATOM 264 C THR A 26 -22.369 24.712 -2.067 1.00 13.36 C ATOM 265 O THR A 26 -21.260 25.157 -2.377 1.00 13.03 O ATOM 266 CB THR A 26 -22.805 23.989 0.317 1.00 10.03 C ATOM 267 OG1 THR A 26 -22.870 22.822 1.141 1.00 14.98 O ATOM 268 CG2 THR A 26 -24.151 24.679 0.426 1.00 10.88 C ATOM 269 HG1 THR A 26 -22.000 22.350 1.112 1.00 0.00 H ATOM 270 H THR A 26 -20.341 23.427 -1.191 1.00 0.00 H ATOM 271 N ILE A 27 -23.488 25.253 -2.529 1.00 10.79 N ATOM 272 CA ILE A 27 -23.448 26.497 -3.302 1.00 9.82 C ATOM 273 C ILE A 27 -24.734 27.262 -3.105 1.00 12.28 C ATOM 274 O ILE A 27 -25.717 26.695 -2.628 1.00 12.14 O ATOM 275 CB ILE A 27 -23.239 26.214 -4.804 1.00 11.10 C ATOM 276 CG1 ILE A 27 -22.756 27.480 -5.536 1.00 13.86 C ATOM 277 CG2 ILE A 27 -24.525 25.605 -5.448 1.00 14.20 C ATOM 278 CD1 ILE A 27 -22.025 27.219 -6.887 1.00 14.96 C ATOM 279 H ILE A 27 -24.401 24.791 -2.341 1.00 0.00 H ATOM 280 N GLY A 28 -24.713 28.537 -3.407 1.00 11.07 N ATOM 281 CA GLY A 28 -25.932 29.284 -3.417 1.00 11.92 C ATOM 282 C GLY A 28 -26.432 29.581 -2.028 1.00 14.25 C ATOM 283 O GLY A 28 -25.712 29.995 -1.203 1.00 14.30 O ATOM 284 H GLY A 28 -23.813 29.004 -3.639 1.00 0.00 H ATOM 285 N ILE A 29 -27.723 29.371 -1.835 1.00 11.29 N ATOM 286 CA ILE A 29 -28.365 29.551 -0.563 1.00 11.38 C ATOM 287 C ILE A 29 -28.502 28.200 0.128 1.00 12.16 C ATOM 288 O ILE A 29 -29.512 27.668 0.202 1.00 13.09 O ATOM 289 CB ILE A 29 -29.709 30.289 -0.708 1.00 11.00 C ATOM 290 CG1 ILE A 29 -29.508 31.557 -1.547 1.00 12.71 C ATOM 291 CG2 ILE A 29 -30.245 30.683 0.620 1.00 13.49 C ATOM 292 CD1 ILE A 29 -30.715 32.167 -2.064 1.00 18.37 C ATOM 293 H ILE A 29 -28.301 29.061 -2.642 1.00 0.00 H ATOM 294 N GLY A 30 -27.381 27.671 0.553 1.00 10.91 N ATOM 295 CA GLY A 30 -27.396 26.415 1.225 1.00 11.15 C ATOM 296 C GLY A 30 -27.800 25.205 0.434 1.00 11.86 C ATOM 297 O GLY A 30 -28.275 24.271 0.979 1.00 13.03 O ATOM 298 H GLY A 30 -26.480 28.168 0.400 1.00 0.00 H ATOM 299 N HIS A 31 -27.529 25.249 -0.845 1.00 12.09 N ATOM 300 CA HIS A 31 -27.819 24.074 -1.652 1.00 11.23 C ATOM 301 C HIS A 31 -26.673 23.054 -1.536 1.00 11.20 C ATOM 302 O HIS A 31 -25.581 23.250 -2.101 1.00 12.63 O ATOM 303 CB HIS A 31 -28.001 24.441 -3.116 1.00 11.11 C ATOM 304 CG HIS A 31 -28.309 23.250 -3.959 1.00 11.52 C ATOM 305 ND1 HIS A 31 -29.568 22.688 -4.017 1.00 15.04 N ATOM 306 CD2 HIS A 31 -27.504 22.463 -4.710 1.00 13.93 C ATOM 307 CE1 HIS A 31 -29.528 21.619 -4.794 1.00 17.48 C ATOM 308 NE2 HIS A 31 -28.291 21.469 -5.237 1.00 14.29 N ATOM 309 H HIS A 31 -27.117 26.102 -1.274 1.00 0.00 H ATOM 310 N LEU A 32 -26.929 21.953 -0.842 1.00 10.42 N ATOM 311 CA LEU A 32 -25.897 20.915 -0.678 1.00 11.00 C ATOM 312 C LEU A 32 -25.643 20.228 -2.007 1.00 11.13 C ATOM 313 O LEU A 32 -26.592 19.818 -2.683 1.00 14.26 O ATOM 314 CB LEU A 32 -26.364 19.887 0.353 1.00 13.29 C ATOM 315 CG LEU A 32 -25.550 18.596 0.448 1.00 17.87 C ATOM 316 CD1 LEU A 32 -24.196 18.951 1.038 1.00 15.51 C ATOM 317 CD2 LEU A 32 -26.277 17.552 1.307 1.00 21.12 C ATOM 318 H LEU A 32 -27.866 21.822 -0.410 1.00 0.00 H ATOM 319 N LEU A 33 -24.372 20.107 -2.405 1.00 11.82 N ATOM 320 CA LEU A 33 -24.081 19.471 -3.704 1.00 13.28 C ATOM 321 C LEU A 33 -23.769 17.991 -3.513 1.00 14.45 C ATOM 322 O LEU A 33 -24.253 17.133 -4.273 1.00 17.49 O ATOM 323 CB LEU A 33 -22.912 20.177 -4.388 1.00 12.22 C ATOM 324 CG LEU A 33 -23.298 21.545 -4.948 1.00 12.12 C ATOM 325 CD1 LEU A 33 -22.007 22.359 -5.308 1.00 11.68 C ATOM 326 CD2 LEU A 33 -24.207 21.449 -6.169 1.00 12.35 C ATOM 327 H LEU A 33 -23.598 20.457 -1.806 1.00 0.00 H ATOM 328 N THR A 34 -22.972 17.681 -2.494 1.00 14.99 N ATOM 329 CA THR A 34 -22.571 16.302 -2.248 1.00 16.31 C ATOM 330 C THR A 34 -21.903 16.199 -0.897 1.00 16.22 C ATOM 331 O THR A 34 -21.359 17.185 -0.379 1.00 18.17 O ATOM 332 CB THR A 34 -21.571 15.782 -3.347 1.00 21.89 C ATOM 333 OG1 THR A 34 -21.266 14.405 -3.094 1.00 21.55 O ATOM 334 CG2 THR A 34 -20.269 16.591 -3.368 1.00 19.89 C ATOM 335 HG1 THR A 34 -20.637 14.075 -3.784 1.00 0.00 H ATOM 336 H THR A 34 -22.630 18.434 -1.864 1.00 0.00 H ATOM 337 N LYS A 35 -21.924 15.008 -0.324 1.00 16.82 N ATOM 338 CA LYS A 35 -21.187 14.780 0.909 1.00 21.02 C ATOM 339 C LYS A 35 -19.818 14.173 0.602 1.00 23.67 C ATOM 340 O LYS A 35 -19.000 13.968 1.498 1.00 25.93 O ATOM 341 CB LYS A 35 -21.995 13.901 1.870 1.00 22.77 C ATOM 342 CG LYS A 35 -23.225 14.594 2.398 1.00 19.54 C ATOM 343 CD LYS A 35 -23.902 13.789 3.486 1.00 25.14 C ATOM 344 CE LYS A 35 -25.126 14.526 3.997 1.00 30.12 C ATOM 345 NZ LYS A 35 -25.865 13.733 5.028 1.00 41.08 N ATOM 346 HZ1 LYS A 35 -26.177 12.832 4.613 1.00 0.00 H ATOM 347 HZ2 LYS A 35 -25.237 13.545 5.835 1.00 0.00 H ATOM 348 HZ3 LYS A 35 -26.694 14.273 5.350 1.00 0.00 H ATOM 349 H LYS A 35 -22.468 14.233 -0.755 1.00 0.00 H ATOM 350 N SER A 36 -19.564 13.930 -0.677 1.00 22.94 N ATOM 351 CA SER A 36 -18.261 13.409 -1.112 1.00 24.84 C ATOM 352 C SER A 36 -17.147 14.420 -0.907 1.00 24.30 C ATOM 353 O SER A 36 -17.334 15.605 -1.142 1.00 18.89 O ATOM 354 CB SER A 36 -18.320 13.063 -2.589 1.00 25.17 C ATOM 355 OG SER A 36 -17.010 12.793 -3.046 1.00 27.98 O ATOM 356 HG SER A 36 -17.038 12.566 -4.009 1.00 0.00 H ATOM 357 H SER A 36 -20.302 14.112 -1.386 1.00 0.00 H ATOM 358 N PRO A 37 -15.961 13.954 -0.483 1.00 23.37 N ATOM 359 CA PRO A 37 -14.818 14.867 -0.321 1.00 23.17 C ATOM 360 C PRO A 37 -14.225 15.367 -1.648 1.00 22.99 C ATOM 361 O PRO A 37 -13.352 16.223 -1.666 1.00 27.63 O ATOM 362 CB PRO A 37 -13.794 14.017 0.441 1.00 28.37 C ATOM 363 CG PRO A 37 -14.175 12.611 0.146 1.00 30.64 C ATOM 364 CD PRO A 37 -15.662 12.588 -0.024 1.00 24.06 C ATOM 365 N SER A 38 -14.752 14.880 -2.759 1.00 22.28 N ATOM 366 CA SER A 38 -14.220 15.258 -4.063 1.00 22.92 C ATOM 367 C SER A 38 -14.857 16.540 -4.624 1.00 23.91 C ATOM 368 O SER A 38 -16.069 16.581 -4.893 1.00 21.12 O ATOM 369 CB SER A 38 -14.431 14.107 -5.060 1.00 22.04 C ATOM 370 OG SER A 38 -14.238 14.588 -6.384 1.00 25.77 O ATOM 371 HG SER A 38 -13.317 14.940 -6.475 1.00 0.00 H ATOM 372 H SER A 38 -15.554 14.221 -2.702 1.00 0.00 H ATOM 373 N LEU A 39 -14.049 17.577 -4.816 1.00 21.22 N ATOM 374 CA LEU A 39 -14.539 18.785 -5.458 1.00 18.75 C ATOM 375 C LEU A 39 -15.011 18.483 -6.889 1.00 19.76 C ATOM 376 O LEU A 39 -15.942 19.127 -7.411 1.00 18.26 O ATOM 377 CB LEU A 39 -13.444 19.853 -5.480 1.00 19.88 C ATOM 378 CG LEU A 39 -13.785 21.129 -6.235 1.00 18.31 C ATOM 379 CD1 LEU A 39 -14.935 21.863 -5.575 1.00 17.69 C ATOM 380 CD2 LEU A 39 -12.570 22.050 -6.355 1.00 29.23 C ATOM 381 H LEU A 39 -13.058 17.524 -4.504 1.00 0.00 H ATOM 382 N ASN A 40 -14.367 17.519 -7.541 1.00 19.06 N ATOM 383 CA ASN A 40 -14.814 17.188 -8.906 1.00 15.74 C ATOM 384 C ASN A 40 -16.242 16.614 -8.881 1.00 17.64 C ATOM 385 O ASN A 40 -17.050 16.920 -9.761 1.00 18.81 O ATOM 386 CB ASN A 40 -13.871 16.185 -9.573 1.00 25.22 C ATOM 387 CG ASN A 40 -12.665 16.845 -10.199 1.00 35.80 C ATOM 388 OD1 ASN A 40 -12.658 18.051 -10.457 1.00 35.51 O ATOM 389 ND2 ASN A 40 -11.634 16.049 -10.465 1.00 39.67 N ATOM 390 HD22 ASN A 40 -11.684 15.037 -10.230 1.00 0.00 H ATOM 391 HD21 ASN A 40 -10.777 16.438 -10.908 1.00 0.00 H ATOM 392 H ASN A 40 -13.572 17.014 -7.101 1.00 0.00 H ATOM 393 N ALA A 41 -16.540 15.793 -7.880 1.00 19.21 N ATOM 394 CA ALA A 41 -17.887 15.230 -7.718 1.00 20.11 C ATOM 395 C ALA A 41 -18.879 16.348 -7.475 1.00 22.18 C ATOM 396 O ALA A 41 -19.980 16.347 -8.026 1.00 16.82 O ATOM 397 CB ALA A 41 -17.945 14.237 -6.583 1.00 20.81 C ATOM 398 H ALA A 41 -15.800 15.542 -7.193 1.00 0.00 H ATOM 399 N ALA A 42 -18.497 17.301 -6.638 1.00 15.14 N ATOM 400 CA ALA A 42 -19.366 18.469 -6.416 1.00 15.45 C ATOM 401 C ALA A 42 -19.610 19.279 -7.687 1.00 16.59 C ATOM 402 O ALA A 42 -20.719 19.726 -7.928 1.00 14.91 O ATOM 403 CB ALA A 42 -18.796 19.364 -5.332 1.00 17.00 C ATOM 404 H ALA A 42 -17.587 17.225 -6.140 1.00 0.00 H ATOM 405 N LYS A 43 -18.572 19.498 -8.491 1.00 14.41 N ATOM 406 CA LYS A 43 -18.747 20.226 -9.739 1.00 14.01 C ATOM 407 C LYS A 43 -19.666 19.488 -10.719 1.00 12.25 C ATOM 408 O LYS A 43 -20.440 20.119 -11.434 1.00 13.19 O ATOM 409 CB LYS A 43 -17.392 20.488 -10.394 1.00 15.99 C ATOM 410 CG LYS A 43 -16.613 21.542 -9.655 1.00 16.29 C ATOM 411 CD LYS A 43 -15.161 21.596 -10.107 1.00 19.99 C ATOM 412 CE LYS A 43 -14.481 22.836 -9.555 1.00 28.75 C ATOM 413 NZ LYS A 43 -13.145 23.077 -10.181 1.00 39.87 N ATOM 414 HZ1 LYS A 43 -12.526 22.261 -9.999 1.00 0.00 H ATOM 415 HZ2 LYS A 43 -13.262 23.203 -11.207 1.00 0.00 H ATOM 416 HZ3 LYS A 43 -12.721 23.934 -9.771 1.00 0.00 H ATOM 417 H LYS A 43 -17.630 19.147 -8.226 1.00 0.00 H ATOM 418 N SER A 44 -19.589 18.168 -10.715 1.00 13.09 N ATOM 419 CA SER A 44 -20.454 17.362 -11.565 1.00 15.79 C ATOM 420 C SER A 44 -21.907 17.537 -11.114 1.00 13.68 C ATOM 421 O SER A 44 -22.807 17.769 -11.937 1.00 13.95 O ATOM 422 CB SER A 44 -20.055 15.891 -11.474 1.00 22.39 C ATOM 423 OG SER A 44 -20.802 15.153 -12.409 1.00 27.49 O ATOM 424 HG SER A 44 -20.547 14.198 -12.354 1.00 0.00 H ATOM 425 H SER A 44 -18.899 17.698 -10.095 1.00 0.00 H ATOM 426 N GLU A 45 -22.122 17.470 -9.802 1.00 16.16 N ATOM 427 CA GLU A 45 -23.466 17.647 -9.264 1.00 15.43 C ATOM 428 C GLU A 45 -23.981 19.028 -9.575 1.00 14.11 C ATOM 429 O GLU A 45 -25.169 19.204 -9.914 1.00 13.04 O ATOM 430 CB GLU A 45 -23.495 17.399 -7.743 1.00 11.73 C ATOM 431 CG GLU A 45 -23.282 15.938 -7.398 1.00 13.33 C ATOM 432 CD GLU A 45 -24.404 15.041 -7.935 1.00 20.85 C ATOM 433 OE1 GLU A 45 -25.599 15.331 -7.673 1.00 17.90 O ATOM 434 OE2 GLU A 45 -24.084 14.050 -8.630 1.00 24.92 O ATOM 435 H GLU A 45 -21.327 17.290 -9.157 1.00 0.00 H ATOM 436 N LEU A 46 -23.105 20.027 -9.481 1.00 11.35 N ATOM 437 CA LEU A 46 -23.525 21.377 -9.800 1.00 13.01 C ATOM 438 C LEU A 46 -23.965 21.509 -11.262 1.00 13.92 C ATOM 439 O LEU A 46 -24.993 22.089 -11.578 1.00 13.40 O ATOM 440 CB LEU A 46 -22.398 22.370 -9.501 1.00 11.42 C ATOM 441 CG LEU A 46 -22.736 23.799 -9.897 1.00 11.67 C ATOM 442 CD1 LEU A 46 -23.947 24.317 -9.089 1.00 13.08 C ATOM 443 CD2 LEU A 46 -21.528 24.706 -9.658 1.00 13.05 C ATOM 444 H LEU A 46 -22.127 19.840 -9.181 1.00 0.00 H ATOM 445 N ASP A 47 -23.169 20.967 -12.179 1.00 12.48 N ATOM 446 CA ASP A 47 -23.504 21.081 -13.578 1.00 11.15 C ATOM 447 C ASP A 47 -24.838 20.392 -13.882 1.00 12.04 C ATOM 448 O ASP A 47 -25.639 20.922 -14.683 1.00 14.43 O ATOM 449 CB ASP A 47 -22.375 20.470 -14.397 1.00 15.61 C ATOM 450 CG ASP A 47 -21.106 21.333 -14.374 1.00 20.50 C ATOM 451 OD1 ASP A 47 -21.119 22.442 -13.804 1.00 19.54 O ATOM 452 OD2 ASP A 47 -20.097 20.909 -14.980 1.00 22.80 O ATOM 453 H ASP A 47 -22.307 20.462 -11.889 1.00 0.00 H ATOM 454 N LYS A 48 -25.063 19.253 -13.241 1.00 13.38 N ATOM 455 CA LYS A 48 -26.315 18.487 -13.398 1.00 12.52 C ATOM 456 C LYS A 48 -27.489 19.308 -12.849 1.00 12.51 C ATOM 457 O LYS A 48 -28.543 19.393 -13.470 1.00 12.63 O ATOM 458 CB LYS A 48 -26.190 17.147 -12.666 1.00 15.08 C ATOM 459 CG LYS A 48 -27.460 16.336 -12.575 1.00 15.58 C ATOM 460 CD LYS A 48 -27.166 14.870 -12.201 1.00 16.31 C ATOM 461 CE LYS A 48 -26.446 14.708 -10.880 1.00 21.73 C ATOM 462 NZ LYS A 48 -27.386 14.773 -9.753 1.00 16.33 N ATOM 463 HZ1 LYS A 48 -27.869 15.694 -9.758 1.00 0.00 H ATOM 464 HZ2 LYS A 48 -28.089 14.012 -9.845 1.00 0.00 H ATOM 465 HZ3 LYS A 48 -26.864 14.659 -8.861 1.00 0.00 H ATOM 466 H LYS A 48 -24.329 18.885 -12.603 1.00 0.00 H ATOM 467 N ALA A 49 -27.278 19.948 -11.704 1.00 12.80 N ATOM 468 CA ALA A 49 -28.342 20.757 -11.090 1.00 13.63 C ATOM 469 C ALA A 49 -28.735 22.007 -11.889 1.00 13.13 C ATOM 470 O ALA A 49 -29.913 22.390 -11.937 1.00 13.01 O ATOM 471 CB ALA A 49 -27.944 21.158 -9.651 1.00 12.92 C ATOM 472 H ALA A 49 -26.351 19.876 -11.237 1.00 0.00 H ATOM 473 N ILE A 50 -27.753 22.651 -12.500 1.00 12.69 N ATOM 474 CA ILE A 50 -27.994 23.887 -13.232 1.00 11.71 C ATOM 475 C ILE A 50 -28.277 23.677 -14.719 1.00 12.04 C ATOM 476 O ILE A 50 -28.964 24.489 -15.351 1.00 16.27 O ATOM 477 CB ILE A 50 -26.740 24.810 -13.108 1.00 12.92 C ATOM 478 CG1 ILE A 50 -26.413 25.039 -11.626 1.00 15.22 C ATOM 479 CG2 ILE A 50 -26.947 26.117 -13.852 1.00 13.59 C ATOM 480 CD1 ILE A 50 -27.532 25.738 -10.890 1.00 18.47 C ATOM 481 H ILE A 50 -26.788 22.266 -12.456 1.00 0.00 H ATOM 482 N GLY A 51 -27.746 22.592 -15.262 1.00 13.83 N ATOM 483 CA GLY A 51 -27.967 22.211 -16.654 1.00 15.11 C ATOM 484 C GLY A 51 -26.997 22.863 -17.616 1.00 18.95 C ATOM 485 O GLY A 51 -27.314 23.045 -18.783 1.00 21.18 O ATOM 486 H GLY A 51 -27.145 21.984 -14.670 1.00 0.00 H ATOM 487 N ARG A 52 -25.820 23.240 -17.125 1.00 16.13 N ATOM 488 CA ARG A 52 -24.756 23.759 -17.995 1.00 18.78 C ATOM 489 C ARG A 52 -23.439 23.509 -17.301 1.00 20.71 C ATOM 490 O ARG A 52 -23.422 23.124 -16.124 1.00 16.67 O ATOM 491 CB ARG A 52 -24.917 25.250 -18.264 1.00 20.58 C ATOM 492 CG ARG A 52 -24.762 26.118 -17.030 1.00 16.13 C ATOM 493 CD ARG A 52 -24.946 27.609 -17.335 1.00 18.88 C ATOM 494 NE ARG A 52 -24.815 28.399 -16.116 1.00 18.09 N ATOM 495 CZ ARG A 52 -23.657 28.837 -15.644 1.00 23.78 C ATOM 496 NH1 ARG A 52 -22.530 28.579 -16.317 1.00 20.66 N ATOM 497 NH2 ARG A 52 -23.627 29.528 -14.512 1.00 20.36 N ATOM 498 HE ARG A 52 -25.680 28.632 -15.587 1.00 0.00 H ATOM 499 HH12 ARG A 52 -21.617 28.920 -15.953 1.00 0.00 H ATOM 500 HH11 ARG A 52 -22.567 28.038 -17.204 1.00 0.00 H ATOM 501 HH22 ARG A 52 -22.720 29.874 -14.138 1.00 0.00 H ATOM 502 HH21 ARG A 52 -24.510 29.724 -13.999 1.00 0.00 H ATOM 503 H ARG A 52 -25.649 23.166 -16.102 1.00 0.00 H ATOM 504 N ASN A 53 -22.328 23.709 -18.014 1.00 17.14 N ATOM 505 CA ASN A 53 -21.014 23.576 -17.401 1.00 16.49 C ATOM 506 C ASN A 53 -20.648 24.844 -16.631 1.00 15.02 C ATOM 507 O ASN A 53 -20.349 25.891 -17.220 1.00 19.91 O ATOM 508 CB ASN A 53 -19.962 23.274 -18.468 1.00 26.96 C ATOM 509 CG ASN A 53 -20.187 21.940 -19.133 1.00 23.76 C ATOM 510 OD1 ASN A 53 -20.698 21.005 -18.516 1.00 29.28 O ATOM 511 ND2 ASN A 53 -19.799 21.838 -20.397 1.00 30.96 N ATOM 512 HD22 ASN A 53 -19.372 22.656 -20.877 1.00 0.00 H ATOM 513 HD21 ASN A 53 -19.922 20.940 -20.908 1.00 0.00 H ATOM 514 H ASN A 53 -22.402 23.963 -19.020 1.00 0.00 H ATOM 515 N CYS A 54 -20.694 24.762 -15.302 1.00 16.88 N ATOM 516 CA CYS A 54 -20.568 25.948 -14.463 1.00 17.88 C ATOM 517 C CYS A 54 -19.155 26.238 -13.982 1.00 15.18 C ATOM 518 O CYS A 54 -18.878 27.372 -13.599 1.00 17.71 O ATOM 519 CB CYS A 54 -21.425 25.797 -13.195 1.00 12.44 C ATOM 520 SG CYS A 54 -23.193 25.703 -13.576 1.00 18.40 S ATOM 521 H CYS A 54 -20.822 23.833 -14.854 1.00 0.00 H ATOM 522 N ASN A 55 -18.318 25.204 -13.978 1.00 18.16 N ATOM 523 CA ASN A 55 -16.985 25.276 -13.400 1.00 22.49 C ATOM 524 C ASN A 55 -17.019 25.892 -12.006 1.00 19.91 C ATOM 525 O ASN A 55 -16.191 26.741 -11.640 1.00 21.34 O ATOM 526 CB ASN A 55 -16.050 26.063 -14.293 1.00 21.43 C ATOM 527 CG ASN A 55 -14.595 25.886 -13.896 1.00 26.70 C ATOM 528 OD1 ASN A 55 -14.199 24.838 -13.349 1.00 34.28 O ATOM 529 ND2 ASN A 55 -13.802 26.912 -14.141 1.00 28.00 N ATOM 530 HD22 ASN A 55 -14.181 27.765 -14.600 1.00 0.00 H ATOM 531 HD21 ASN A 55 -12.798 26.868 -13.875 1.00 0.00 H ATOM 532 H ASN A 55 -18.629 24.308 -14.405 1.00 0.00 H ATOM 533 N GLY A 56 -17.988 25.451 -11.235 1.00 16.05 N ATOM 534 CA GLY A 56 -18.055 25.833 -9.827 1.00 15.68 C ATOM 535 C GLY A 56 -18.598 27.192 -9.468 1.00 17.84 C ATOM 536 O GLY A 56 -18.527 27.566 -8.296 1.00 17.14 O ATOM 537 H GLY A 56 -18.715 24.823 -11.632 1.00 0.00 H ATOM 538 N VAL A 57 -19.178 27.912 -10.432 1.00 13.58 N ATOM 539 CA VAL A 57 -19.743 29.228 -10.194 1.00 14.53 C ATOM 540 C VAL A 57 -21.119 29.368 -10.824 1.00 18.47 C ATOM 541 O VAL A 57 -21.332 28.931 -11.957 1.00 17.68 O ATOM 542 CB VAL A 57 -18.822 30.321 -10.770 1.00 19.49 C ATOM 543 CG1 VAL A 57 -19.396 31.693 -10.496 1.00 25.11 C ATOM 544 CG2 VAL A 57 -17.438 30.190 -10.176 1.00 17.53 C ATOM 545 H VAL A 57 -19.227 27.514 -11.392 1.00 0.00 H ATOM 546 N ILE A 58 -22.049 29.996 -10.105 1.00 14.23 N ATOM 547 CA ILE A 58 -23.379 30.248 -10.650 1.00 12.24 C ATOM 548 C ILE A 58 -23.777 31.712 -10.503 1.00 14.24 C ATOM 549 O ILE A 58 -23.083 32.491 -9.829 1.00 18.73 O ATOM 550 CB ILE A 58 -24.456 29.354 -9.976 1.00 13.28 C ATOM 551 CG1 ILE A 58 -24.531 29.648 -8.467 1.00 12.17 C ATOM 552 CG2 ILE A 58 -24.171 27.872 -10.274 1.00 14.13 C ATOM 553 CD1 ILE A 58 -25.643 28.856 -7.754 1.00 13.55 C ATOM 554 H ILE A 58 -21.823 30.312 -9.140 1.00 0.00 H ATOM 555 N THR A 59 -24.883 32.091 -11.153 1.00 13.75 N ATOM 556 CA THR A 59 -25.410 33.444 -11.022 1.00 14.67 C ATOM 557 C THR A 59 -26.372 33.530 -9.842 1.00 18.43 C ATOM 558 O THR A 59 -26.819 32.501 -9.310 1.00 16.20 O ATOM 559 CB THR A 59 -26.204 33.874 -12.281 1.00 17.61 C ATOM 560 OG1 THR A 59 -27.319 32.989 -12.449 1.00 18.08 O ATOM 561 CG2 THR A 59 -25.327 33.825 -13.524 1.00 19.66 C ATOM 562 HG1 THR A 59 -27.833 33.256 -13.252 1.00 0.00 H ATOM 563 H THR A 59 -25.376 31.408 -11.763 1.00 0.00 H ATOM 564 N LYS A 60 -26.713 34.751 -9.452 1.00 14.84 N ATOM 565 CA LYS A 60 -27.661 34.940 -8.371 1.00 14.79 C ATOM 566 C LYS A 60 -29.013 34.351 -8.778 1.00 14.03 C ATOM 567 O LYS A 60 -29.683 33.721 -7.948 1.00 14.81 O ATOM 568 CB LYS A 60 -27.797 36.419 -8.022 1.00 18.16 C ATOM 569 CG LYS A 60 -28.720 36.702 -6.844 1.00 18.94 C ATOM 570 CD LYS A 60 -28.571 38.147 -6.362 1.00 26.82 C ATOM 571 CE LYS A 60 -29.487 38.440 -5.183 1.00 38.96 C ATOM 572 H LYS A 60 -26.297 35.579 -9.925 1.00 0.00 H ATOM 573 N ASP A 61 -29.418 34.519 -10.041 1.00 17.53 N ATOM 574 CA ASP A 61 -30.680 33.956 -10.511 1.00 17.74 C ATOM 575 C ASP A 61 -30.680 32.440 -10.354 1.00 18.17 C ATOM 576 O ASP A 61 -31.675 31.846 -9.948 1.00 14.75 O ATOM 577 CB ASP A 61 -30.942 34.303 -11.984 1.00 19.27 C ATOM 578 CG ASP A 61 -31.241 35.778 -12.204 1.00 25.68 C ATOM 579 OD1 ASP A 61 -31.296 36.540 -11.222 1.00 23.07 O ATOM 580 OD2 ASP A 61 -31.422 36.175 -13.375 1.00 25.72 O ATOM 581 H ASP A 61 -28.823 35.060 -10.700 1.00 0.00 H ATOM 582 N GLU A 62 -29.556 31.817 -10.704 1.00 15.92 N ATOM 583 CA GLU A 62 -29.455 30.360 -10.594 1.00 12.57 C ATOM 584 C GLU A 62 -29.500 29.924 -9.141 1.00 14.19 C ATOM 585 O GLU A 62 -30.154 28.922 -8.822 1.00 12.13 O ATOM 586 CB GLU A 62 -28.184 29.849 -11.277 1.00 12.78 C ATOM 587 CG GLU A 62 -28.321 29.844 -12.781 1.00 15.49 C ATOM 588 CD GLU A 62 -26.997 29.732 -13.511 1.00 19.94 C ATOM 589 OE1 GLU A 62 -25.922 29.918 -12.900 1.00 16.49 O ATOM 590 OE2 GLU A 62 -27.038 29.467 -14.737 1.00 18.33 O ATOM 591 H GLU A 62 -28.747 32.367 -11.057 1.00 0.00 H ATOM 592 N ALA A 63 -28.826 30.667 -8.263 1.00 13.43 N ATOM 593 CA ALA A 63 -28.893 30.359 -6.825 1.00 10.95 C ATOM 594 C ALA A 63 -30.329 30.432 -6.327 1.00 12.12 C ATOM 595 O ALA A 63 -30.786 29.566 -5.560 1.00 11.42 O ATOM 596 CB ALA A 63 -28.018 31.336 -6.033 1.00 13.66 C ATOM 597 H ALA A 63 -28.251 31.467 -8.595 1.00 0.00 H ATOM 598 N GLU A 64 -31.059 31.458 -6.762 1.00 11.76 N ATOM 599 CA GLU A 64 -32.425 31.631 -6.278 1.00 12.03 C ATOM 600 C GLU A 64 -33.343 30.551 -6.842 1.00 11.63 C ATOM 601 O GLU A 64 -34.284 30.125 -6.176 1.00 11.66 O ATOM 602 CB GLU A 64 -32.918 33.056 -6.609 1.00 13.03 C ATOM 603 CG GLU A 64 -32.226 34.079 -5.707 1.00 13.73 C ATOM 604 CD GLU A 64 -32.448 35.504 -6.170 1.00 27.23 C ATOM 605 OE1 GLU A 64 -32.885 35.705 -7.331 1.00 28.92 O ATOM 606 OE2 GLU A 64 -32.163 36.415 -5.369 1.00 25.91 O ATOM 607 H GLU A 64 -30.657 32.133 -7.444 1.00 0.00 H ATOM 608 N LYS A 65 -33.054 30.082 -8.060 1.00 11.32 N ATOM 609 CA LYS A 65 -33.846 28.988 -8.603 1.00 12.97 C ATOM 610 C LYS A 65 -33.652 27.689 -7.803 1.00 12.31 C ATOM 611 O LYS A 65 -34.640 27.023 -7.454 1.00 12.90 O ATOM 612 CB LYS A 65 -33.539 28.768 -10.092 1.00 12.73 C ATOM 613 CG LYS A 65 -34.504 27.756 -10.707 1.00 15.78 C ATOM 614 CD LYS A 65 -34.344 27.750 -12.224 1.00 19.41 C ATOM 615 CE LYS A 65 -35.406 26.849 -12.883 1.00 20.72 C ATOM 616 NZ LYS A 65 -35.292 26.964 -14.384 1.00 18.11 N ATOM 617 HZ1 LYS A 65 -35.447 27.952 -14.668 1.00 0.00 H ATOM 618 HZ2 LYS A 65 -34.343 26.662 -14.683 1.00 0.00 H ATOM 619 HZ3 LYS A 65 -36.008 26.357 -14.832 1.00 0.00 H ATOM 620 H LYS A 65 -32.274 30.493 -8.612 1.00 0.00 H ATOM 621 N LEU A 66 -32.397 27.343 -7.485 1.00 10.13 N ATOM 622 CA LEU A 66 -32.138 26.183 -6.623 1.00 10.25 C ATOM 623 C LEU A 66 -32.836 26.362 -5.268 1.00 9.26 C ATOM 624 O LEU A 66 -33.382 25.409 -4.712 1.00 10.23 O ATOM 625 CB LEU A 66 -30.630 25.992 -6.377 1.00 11.24 C ATOM 626 CG LEU A 66 -29.817 25.611 -7.637 1.00 11.29 C ATOM 627 CD1 LEU A 66 -28.308 25.468 -7.238 1.00 15.26 C ATOM 628 CD2 LEU A 66 -30.320 24.331 -8.370 1.00 12.93 C ATOM 629 H LEU A 66 -31.600 27.901 -7.852 1.00 0.00 H ATOM 630 N PHE A 67 -32.837 27.588 -4.751 1.00 10.93 N ATOM 631 CA PHE A 67 -33.434 27.840 -3.435 1.00 9.96 C ATOM 632 C PHE A 67 -34.957 27.619 -3.502 1.00 12.15 C ATOM 633 O PHE A 67 -35.544 26.989 -2.612 1.00 12.41 O ATOM 634 CB PHE A 67 -33.076 29.287 -3.058 1.00 9.90 C ATOM 635 CG PHE A 67 -33.488 29.710 -1.671 1.00 10.68 C ATOM 636 CD1 PHE A 67 -33.417 28.833 -0.593 1.00 11.02 C ATOM 637 CD2 PHE A 67 -33.876 31.031 -1.461 1.00 11.36 C ATOM 638 CE1 PHE A 67 -33.773 29.259 0.702 1.00 10.93 C ATOM 639 CE2 PHE A 67 -34.222 31.467 -0.160 1.00 13.06 C ATOM 640 CZ PHE A 67 -34.163 30.569 0.916 1.00 11.54 C ATOM 641 H PHE A 67 -32.411 28.373 -5.284 1.00 0.00 H ATOM 642 N ASN A 68 -35.606 28.098 -4.562 1.00 13.11 N ATOM 643 CA ASN A 68 -37.035 27.826 -4.739 1.00 12.30 C ATOM 644 C ASN A 68 -37.300 26.326 -4.770 1.00 13.60 C ATOM 645 O ASN A 68 -38.234 25.820 -4.113 1.00 11.88 O ATOM 646 CB ASN A 68 -37.555 28.481 -6.027 1.00 11.70 C ATOM 647 CG ASN A 68 -37.741 29.960 -5.878 1.00 13.06 C ATOM 648 OD1 ASN A 68 -38.077 30.437 -4.805 1.00 17.45 O ATOM 649 ND2 ASN A 68 -37.530 30.705 -6.961 1.00 16.61 N ATOM 650 HD22 ASN A 68 -37.245 30.255 -7.854 1.00 0.00 H ATOM 651 HD21 ASN A 68 -37.650 31.737 -6.914 1.00 0.00 H ATOM 652 H ASN A 68 -35.096 28.668 -5.267 1.00 0.00 H ATOM 653 N GLN A 69 -36.483 25.600 -5.531 1.00 11.09 N ATOM 654 CA GLN A 69 -36.638 24.149 -5.591 1.00 10.22 C ATOM 655 C GLN A 69 -36.438 23.490 -4.232 1.00 12.32 C ATOM 656 O GLN A 69 -37.151 22.545 -3.887 1.00 12.28 O ATOM 657 CB GLN A 69 -35.648 23.556 -6.594 1.00 10.22 C ATOM 658 CG GLN A 69 -35.956 23.981 -8.003 1.00 9.40 C ATOM 659 CD GLN A 69 -34.948 23.502 -9.023 1.00 11.53 C ATOM 660 OE1 GLN A 69 -33.880 22.946 -8.670 1.00 17.57 O ATOM 661 NE2 GLN A 69 -35.270 23.708 -10.286 1.00 10.37 N ATOM 662 HE22 GLN A 69 -36.169 24.174 -10.524 1.00 0.00 H ATOM 663 HE21 GLN A 69 -34.625 23.404 -11.043 1.00 0.00 H ATOM 664 H GLN A 69 -35.735 26.066 -6.083 1.00 0.00 H ATOM 665 N ASP A 70 -35.455 23.974 -3.478 1.00 10.82 N ATOM 666 CA ASP A 70 -35.100 23.359 -2.200 1.00 10.93 C ATOM 667 C ASP A 70 -36.155 23.621 -1.130 1.00 11.10 C ATOM 668 O ASP A 70 -36.453 22.719 -0.337 1.00 11.91 O ATOM 669 CB ASP A 70 -33.710 23.824 -1.721 1.00 11.46 C ATOM 670 CG ASP A 70 -32.592 23.305 -2.610 1.00 14.72 C ATOM 671 OD1 ASP A 70 -32.816 22.330 -3.371 1.00 16.02 O ATOM 672 OD2 ASP A 70 -31.490 23.898 -2.566 1.00 13.90 O ATOM 673 H ASP A 70 -34.927 24.808 -3.805 1.00 0.00 H ATOM 674 N VAL A 71 -36.701 24.840 -1.108 1.00 10.92 N ATOM 675 CA VAL A 71 -37.821 25.154 -0.194 1.00 9.77 C ATOM 676 C VAL A 71 -39.037 24.299 -0.536 1.00 11.16 C ATOM 677 O VAL A 71 -39.649 23.674 0.359 1.00 12.25 O ATOM 678 CB VAL A 71 -38.160 26.657 -0.201 1.00 12.00 C ATOM 679 CG1 VAL A 71 -39.373 26.892 0.681 1.00 14.38 C ATOM 680 CG2 VAL A 71 -36.959 27.470 0.371 1.00 12.16 C ATOM 681 H VAL A 71 -36.334 25.578 -1.742 1.00 0.00 H ATOM 682 N ASP A 72 -39.340 24.213 -1.837 1.00 12.05 N ATOM 683 CA ASP A 72 -40.458 23.408 -2.329 1.00 14.09 C ATOM 684 C ASP A 72 -40.265 21.960 -1.852 1.00 13.71 C ATOM 685 O ASP A 72 -41.161 21.371 -1.269 1.00 15.94 O ATOM 686 CB ASP A 72 -40.509 23.539 -3.863 1.00 13.78 C ATOM 687 CG ASP A 72 -41.788 22.985 -4.492 1.00 35.14 C ATOM 688 OD1 ASP A 72 -42.496 22.188 -3.860 1.00 34.07 O ATOM 689 OD2 ASP A 72 -42.064 23.339 -5.667 1.00 34.25 O ATOM 690 H ASP A 72 -38.760 24.737 -2.523 1.00 0.00 H ATOM 691 N ALA A 73 -39.071 21.420 -2.041 1.00 13.78 N ATOM 692 CA ALA A 73 -38.759 20.068 -1.620 1.00 14.06 C ATOM 693 C ALA A 73 -38.884 19.851 -0.116 1.00 13.16 C ATOM 694 O ALA A 73 -39.316 18.777 0.323 1.00 18.51 O ATOM 695 CB ALA A 73 -37.352 19.681 -2.093 1.00 16.60 C ATOM 696 H ALA A 73 -38.332 21.984 -2.507 1.00 0.00 H ATOM 697 N ALA A 74 -38.498 20.846 0.674 1.00 12.57 N ATOM 698 CA ALA A 74 -38.622 20.731 2.122 1.00 11.84 C ATOM 699 C ALA A 74 -40.099 20.639 2.516 1.00 12.94 C ATOM 700 O ALA A 74 -40.462 19.803 3.342 1.00 13.88 O ATOM 701 CB ALA A 74 -37.937 21.901 2.815 1.00 13.90 C ATOM 702 H ALA A 74 -38.104 21.714 0.257 1.00 0.00 H ATOM 703 N VAL A 75 -40.926 21.486 1.907 1.00 12.45 N ATOM 704 CA VAL A 75 -42.345 21.483 2.233 1.00 14.57 C ATOM 705 C VAL A 75 -42.958 20.151 1.795 1.00 16.51 C ATOM 706 O VAL A 75 -43.720 19.526 2.540 1.00 14.66 O ATOM 707 CB VAL A 75 -43.063 22.655 1.548 1.00 12.86 C ATOM 708 CG1 VAL A 75 -44.581 22.531 1.768 1.00 17.91 C ATOM 709 CG2 VAL A 75 -42.539 23.993 2.086 1.00 13.21 C ATOM 710 H VAL A 75 -40.558 22.151 1.197 1.00 0.00 H ATOM 711 N ARG A 76 -42.638 19.706 0.581 1.00 16.59 N ATOM 712 CA ARG A 76 -43.191 18.434 0.114 1.00 19.45 C ATOM 713 C ARG A 76 -42.757 17.269 0.986 1.00 19.17 C ATOM 714 O ARG A 76 -43.540 16.331 1.233 1.00 21.75 O ATOM 715 CB ARG A 76 -42.792 18.182 -1.335 1.00 19.84 C ATOM 716 CG ARG A 76 -43.514 19.074 -2.273 1.00 25.04 C ATOM 717 CD ARG A 76 -43.404 18.539 -3.675 1.00 27.90 C ATOM 718 NE ARG A 76 -43.935 19.479 -4.644 1.00 20.50 N ATOM 719 CZ ARG A 76 -45.160 19.426 -5.153 1.00 25.82 C ATOM 720 NH1 ARG A 76 -46.011 18.482 -4.773 1.00 28.01 N ATOM 721 NH2 ARG A 76 -45.532 20.330 -6.040 1.00 18.12 N ATOM 722 HE ARG A 76 -43.312 20.249 -4.962 1.00 0.00 H ATOM 723 HH12 ARG A 76 -46.968 18.451 -5.179 1.00 0.00 H ATOM 724 HH11 ARG A 76 -45.721 17.773 -4.069 1.00 0.00 H ATOM 725 HH22 ARG A 76 -46.489 20.298 -6.445 1.00 0.00 H ATOM 726 HH21 ARG A 76 -44.868 21.074 -6.334 1.00 0.00 H ATOM 727 H ARG A 76 -42.001 20.257 -0.029 1.00 0.00 H ATOM 728 N GLY A 77 -41.531 17.341 1.487 1.00 16.47 N ATOM 729 CA GLY A 77 -41.002 16.289 2.331 1.00 20.03 C ATOM 730 C GLY A 77 -41.829 16.207 3.599 1.00 22.13 C ATOM 731 O GLY A 77 -42.181 15.128 4.067 1.00 19.93 O ATOM 732 H GLY A 77 -40.939 18.168 1.270 1.00 0.00 H ATOM 733 N ILE A 78 -42.181 17.364 4.137 1.00 11.89 N ATOM 734 CA ILE A 78 -43.005 17.393 5.324 1.00 13.35 C ATOM 735 C ILE A 78 -44.382 16.805 5.032 1.00 13.65 C ATOM 736 O ILE A 78 -44.875 15.988 5.818 1.00 15.69 O ATOM 737 CB ILE A 78 -43.148 18.830 5.860 1.00 13.06 C ATOM 738 CG1 ILE A 78 -41.855 19.240 6.573 1.00 11.65 C ATOM 739 CG2 ILE A 78 -44.292 18.928 6.874 1.00 13.20 C ATOM 740 CD1 ILE A 78 -41.727 20.768 6.753 1.00 15.38 C ATOM 741 H ILE A 78 -41.864 18.255 3.704 1.00 0.00 H ATOM 742 N LEU A 79 -44.989 17.222 3.922 1.00 14.72 N ATOM 743 CA LEU A 79 -46.373 16.818 3.637 1.00 16.34 C ATOM 744 C LEU A 79 -46.486 15.329 3.308 1.00 21.95 C ATOM 745 O LEU A 79 -47.536 14.729 3.548 1.00 21.66 O ATOM 746 CB LEU A 79 -46.951 17.657 2.498 1.00 16.88 C ATOM 747 CG LEU A 79 -47.077 19.161 2.777 1.00 19.20 C ATOM 748 CD1 LEU A 79 -47.647 19.868 1.548 1.00 26.59 C ATOM 749 CD2 LEU A 79 -47.931 19.446 4.013 1.00 27.47 C ATOM 750 H LEU A 79 -44.481 17.836 3.254 1.00 0.00 H ATOM 751 N ARG A 80 -45.397 14.730 2.824 1.00 17.16 N ATOM 752 CA ARG A 80 -45.369 13.288 2.521 1.00 19.68 C ATOM 753 C ARG A 80 -45.011 12.406 3.711 1.00 23.86 C ATOM 754 O ARG A 80 -45.089 11.178 3.621 1.00 23.42 O ATOM 755 CB ARG A 80 -44.399 12.986 1.352 1.00 21.04 C ATOM 756 H ARG A 80 -44.542 15.298 2.655 1.00 0.00 H ATOM 757 N ASN A 81 -44.612 13.010 4.829 1.00 18.62 N ATOM 758 CA ASN A 81 -44.095 12.252 5.954 1.00 15.63 C ATOM 759 C ASN A 81 -45.166 12.118 7.009 1.00 17.63 C ATOM 760 O ASN A 81 -45.677 13.119 7.524 1.00 17.36 O ATOM 761 CB ASN A 81 -42.864 12.951 6.556 1.00 16.71 C ATOM 762 CG ASN A 81 -42.174 12.118 7.605 1.00 19.18 C ATOM 763 OD1 ASN A 81 -42.701 11.902 8.688 1.00 22.21 O ATOM 764 ND2 ASN A 81 -40.964 11.663 7.297 1.00 24.39 N ATOM 765 HD22 ASN A 81 -40.553 11.870 6.364 1.00 0.00 H ATOM 766 HD21 ASN A 81 -40.428 11.100 7.988 1.00 0.00 H ATOM 767 H ASN A 81 -44.672 14.046 4.897 1.00 0.00 H ATOM 768 N ALA A 82 -45.513 10.887 7.358 1.00 20.86 N ATOM 769 CA ALA A 82 -46.655 10.703 8.243 1.00 18.30 C ATOM 770 C ALA A 82 -46.422 11.161 9.684 1.00 16.70 C ATOM 771 O ALA A 82 -47.398 11.383 10.416 1.00 21.42 O ATOM 772 CB ALA A 82 -47.119 9.246 8.214 1.00 27.40 C ATOM 773 H ALA A 82 -44.979 10.067 7.006 1.00 0.00 H ATOM 774 N LYS A 83 -45.156 11.280 10.100 1.00 15.22 N ATOM 775 CA LYS A 83 -44.819 11.832 11.416 1.00 15.76 C ATOM 776 C LYS A 83 -44.807 13.359 11.401 1.00 17.33 C ATOM 777 O LYS A 83 -45.214 14.000 12.371 1.00 20.08 O ATOM 778 CB LYS A 83 -43.473 11.302 11.934 1.00 22.75 C ATOM 779 CG LYS A 83 -43.490 9.812 12.282 1.00 27.13 C ATOM 780 H LYS A 83 -44.387 10.972 9.471 1.00 0.00 H ATOM 781 N LEU A 84 -44.367 13.951 10.298 1.00 14.07 N ATOM 782 CA LEU A 84 -44.229 15.404 10.267 1.00 11.18 C ATOM 783 C LEU A 84 -45.505 16.134 9.884 1.00 11.40 C ATOM 784 O LEU A 84 -45.800 17.198 10.440 1.00 13.08 O ATOM 785 CB LEU A 84 -43.130 15.797 9.275 1.00 11.36 C ATOM 786 CG LEU A 84 -41.750 15.223 9.593 1.00 13.28 C ATOM 787 CD1 LEU A 84 -40.747 15.737 8.551 1.00 13.42 C ATOM 788 CD2 LEU A 84 -41.255 15.580 10.987 1.00 17.56 C ATOM 789 H LEU A 84 -44.122 13.384 9.461 1.00 0.00 H ATOM 790 N LYS A 85 -46.252 15.591 8.921 1.00 12.95 N ATOM 791 CA LYS A 85 -47.423 16.311 8.432 1.00 13.30 C ATOM 792 C LYS A 85 -48.434 16.708 9.514 1.00 13.47 C ATOM 793 O LYS A 85 -48.878 17.857 9.541 1.00 12.62 O ATOM 794 CB LYS A 85 -48.118 15.536 7.311 1.00 13.44 C ATOM 795 CG LYS A 85 -49.268 16.305 6.718 1.00 16.87 C ATOM 796 CD LYS A 85 -49.912 15.523 5.605 1.00 23.31 C ATOM 797 CE LYS A 85 -50.844 16.416 4.797 1.00 31.95 C ATOM 798 NZ LYS A 85 -51.997 16.884 5.588 1.00 30.59 N ATOM 799 HZ1 LYS A 85 -52.544 16.064 5.920 1.00 0.00 H ATOM 800 HZ2 LYS A 85 -51.657 17.429 6.406 1.00 0.00 H ATOM 801 HZ3 LYS A 85 -52.601 17.488 4.994 1.00 0.00 H ATOM 802 H LYS A 85 -46.002 14.663 8.523 1.00 0.00 H ATOM 803 N PRO A 86 -48.822 15.779 10.391 1.00 13.90 N ATOM 804 CA PRO A 86 -49.822 16.219 11.378 1.00 16.23 C ATOM 805 C PRO A 86 -49.321 17.314 12.304 1.00 15.13 C ATOM 806 O PRO A 86 -50.110 18.184 12.693 1.00 14.09 O ATOM 807 CB PRO A 86 -50.145 14.951 12.176 1.00 14.82 C ATOM 808 CG PRO A 86 -49.043 13.998 11.873 1.00 21.94 C ATOM 809 CD PRO A 86 -48.501 14.352 10.519 1.00 15.07 C ATOM 810 N VAL A 87 -48.040 17.287 12.659 1.00 11.24 N ATOM 811 CA VAL A 87 -47.517 18.359 13.507 1.00 13.24 C ATOM 812 C VAL A 87 -47.496 19.680 12.714 1.00 11.96 C ATOM 813 O VAL A 87 -47.919 20.728 13.202 1.00 11.78 O ATOM 814 CB VAL A 87 -46.129 18.003 14.048 1.00 14.97 C ATOM 815 CG1 VAL A 87 -45.644 19.091 15.015 1.00 13.39 C ATOM 816 CG2 VAL A 87 -46.172 16.636 14.764 1.00 15.37 C ATOM 817 H VAL A 87 -47.419 16.516 12.339 1.00 0.00 H ATOM 818 N TYR A 88 -47.023 19.621 11.472 1.00 10.32 N ATOM 819 CA TYR A 88 -46.982 20.799 10.629 1.00 11.88 C ATOM 820 C TYR A 88 -48.373 21.399 10.456 1.00 11.53 C ATOM 821 O TYR A 88 -48.564 22.596 10.619 1.00 12.66 O ATOM 822 CB TYR A 88 -46.340 20.414 9.284 1.00 11.00 C ATOM 823 CG TYR A 88 -46.216 21.550 8.296 1.00 11.95 C ATOM 824 CD1 TYR A 88 -45.120 22.422 8.337 1.00 11.44 C ATOM 825 CD2 TYR A 88 -47.182 21.752 7.327 1.00 16.44 C ATOM 826 CE1 TYR A 88 -44.991 23.459 7.428 1.00 13.78 C ATOM 827 CE2 TYR A 88 -47.064 22.785 6.420 1.00 18.32 C ATOM 828 CZ TYR A 88 -45.961 23.640 6.488 1.00 21.29 C ATOM 829 OH TYR A 88 -45.830 24.682 5.602 1.00 19.80 O ATOM 830 HH TYR A 88 -44.995 25.177 5.798 1.00 0.00 H ATOM 831 H TYR A 88 -46.677 18.714 11.100 1.00 0.00 H ATOM 832 N ASP A 89 -49.353 20.549 10.174 1.00 11.67 N ATOM 833 CA ASP A 89 -50.719 21.058 9.968 1.00 13.32 C ATOM 834 C ASP A 89 -51.259 21.678 11.238 1.00 13.78 C ATOM 835 O ASP A 89 -52.105 22.569 11.185 1.00 14.42 O ATOM 836 CB ASP A 89 -51.632 19.929 9.535 1.00 15.48 C ATOM 837 CG ASP A 89 -51.440 19.564 8.067 1.00 21.85 C ATOM 838 OD1 ASP A 89 -50.807 20.351 7.322 1.00 20.85 O ATOM 839 OD2 ASP A 89 -51.917 18.491 7.677 1.00 23.92 O ATOM 840 H ASP A 89 -49.157 19.530 10.099 1.00 0.00 H ATOM 841 N SER A 90 -50.789 21.218 12.392 1.00 11.16 N ATOM 842 CA SER A 90 -51.265 21.796 13.651 1.00 12.52 C ATOM 843 C SER A 90 -50.710 23.184 13.966 1.00 13.52 C ATOM 844 O SER A 90 -51.248 23.896 14.812 1.00 13.81 O ATOM 845 CB SER A 90 -50.960 20.848 14.821 1.00 14.50 C ATOM 846 OG SER A 90 -49.605 21.002 15.238 1.00 14.09 O ATOM 847 HG SER A 90 -49.002 20.790 14.482 1.00 0.00 H ATOM 848 H SER A 90 -50.086 20.451 12.402 1.00 0.00 H ATOM 849 N LEU A 91 -49.620 23.558 13.301 1.00 12.46 N ATOM 850 CA LEU A 91 -48.917 24.807 13.599 1.00 10.65 C ATOM 851 C LEU A 91 -49.514 26.019 12.887 1.00 12.05 C ATOM 852 O LEU A 91 -50.130 25.897 11.820 1.00 13.04 O ATOM 853 CB LEU A 91 -47.446 24.703 13.156 1.00 12.59 C ATOM 854 CG LEU A 91 -46.620 23.630 13.902 1.00 10.59 C ATOM 855 CD1 LEU A 91 -45.246 23.526 13.213 1.00 14.07 C ATOM 856 CD2 LEU A 91 -46.465 23.979 15.375 1.00 12.27 C ATOM 857 H LEU A 91 -49.256 22.943 12.545 1.00 0.00 H ATOM 858 N ASP A 92 -49.299 27.181 13.486 1.00 12.00 N ATOM 859 CA ASP A 92 -49.564 28.465 12.837 1.00 11.58 C ATOM 860 C ASP A 92 -48.494 28.786 11.784 1.00 14.68 C ATOM 861 O ASP A 92 -47.468 28.089 11.684 1.00 13.14 O ATOM 862 CB ASP A 92 -49.526 29.545 13.913 1.00 12.30 C ATOM 863 CG ASP A 92 -48.197 29.575 14.612 1.00 15.87 C ATOM 864 OD1 ASP A 92 -48.033 28.815 15.583 1.00 13.41 O ATOM 865 OD2 ASP A 92 -47.298 30.324 14.149 1.00 15.12 O ATOM 866 H ASP A 92 -48.927 27.180 14.457 1.00 0.00 H ATOM 867 N ALA A 93 -48.729 29.835 10.995 1.00 14.17 N ATOM 868 CA ALA A 93 -47.856 30.139 9.855 1.00 13.74 C ATOM 869 C ALA A 93 -46.412 30.424 10.220 1.00 12.35 C ATOM 870 O ALA A 93 -45.520 30.010 9.486 1.00 13.60 O ATOM 871 CB ALA A 93 -48.414 31.305 9.031 1.00 16.47 C ATOM 872 H ALA A 93 -49.545 30.449 11.191 1.00 0.00 H ATOM 873 N VAL A 94 -46.172 31.131 11.319 1.00 12.63 N ATOM 874 CA VAL A 94 -44.784 31.470 11.677 1.00 10.05 C ATOM 875 C VAL A 94 -44.058 30.207 12.105 1.00 10.68 C ATOM 876 O VAL A 94 -42.924 29.934 11.683 1.00 10.08 O ATOM 877 CB VAL A 94 -44.729 32.536 12.785 1.00 15.00 C ATOM 878 CG1 VAL A 94 -43.271 32.783 13.236 1.00 13.92 C ATOM 879 CG2 VAL A 94 -45.389 33.834 12.302 1.00 18.41 C ATOM 880 H VAL A 94 -46.959 31.443 11.923 1.00 0.00 H ATOM 881 N ARG A 95 -44.715 29.403 12.930 1.00 10.55 N ATOM 882 CA ARG A 95 -44.061 28.182 13.387 1.00 8.72 C ATOM 883 C ARG A 95 -43.889 27.193 12.231 1.00 11.81 C ATOM 884 O ARG A 95 -42.932 26.417 12.221 1.00 10.58 O ATOM 885 CB ARG A 95 -44.861 27.574 14.541 1.00 9.61 C ATOM 886 CG ARG A 95 -44.756 28.435 15.785 1.00 8.50 C ATOM 887 CD ARG A 95 -45.428 27.724 16.960 1.00 11.57 C ATOM 888 NE ARG A 95 -45.204 28.422 18.220 1.00 11.27 N ATOM 889 CZ ARG A 95 -46.050 29.296 18.775 1.00 13.78 C ATOM 890 NH1 ARG A 95 -47.169 29.657 18.149 1.00 14.25 N ATOM 891 NH2 ARG A 95 -45.737 29.844 19.949 1.00 15.01 N ATOM 892 HE ARG A 95 -44.317 28.225 18.727 1.00 0.00 H ATOM 893 HH12 ARG A 95 -47.817 30.338 18.594 1.00 0.00 H ATOM 894 HH11 ARG A 95 -47.395 29.258 17.216 1.00 0.00 H ATOM 895 HH22 ARG A 95 -46.384 30.526 20.394 1.00 0.00 H ATOM 896 HH21 ARG A 95 -44.845 29.590 20.420 1.00 0.00 H ATOM 897 H ARG A 95 -45.678 29.639 13.245 1.00 0.00 H ATOM 898 N ARG A 96 -44.757 27.236 11.215 1.00 9.47 N ATOM 899 CA ARG A 96 -44.538 26.360 10.053 1.00 9.17 C ATOM 900 C ARG A 96 -43.203 26.720 9.365 1.00 11.53 C ATOM 901 O ARG A 96 -42.511 25.840 8.831 1.00 10.92 O ATOM 902 CB ARG A 96 -45.678 26.482 9.047 1.00 10.49 C ATOM 903 CG ARG A 96 -46.895 25.675 9.491 1.00 10.14 C ATOM 904 CD ARG A 96 -48.027 25.806 8.478 1.00 13.96 C ATOM 905 NE ARG A 96 -49.201 25.117 9.012 1.00 14.49 N ATOM 906 CZ ARG A 96 -50.430 25.247 8.519 1.00 17.65 C ATOM 907 NH1 ARG A 96 -50.624 26.010 7.448 1.00 20.52 N ATOM 908 NH2 ARG A 96 -51.452 24.580 9.073 1.00 14.90 N ATOM 909 HE ARG A 96 -49.067 24.486 9.828 1.00 0.00 H ATOM 910 HH12 ARG A 96 -51.580 26.119 7.054 1.00 0.00 H ATOM 911 HH11 ARG A 96 -49.820 26.498 7.004 1.00 0.00 H ATOM 912 HH22 ARG A 96 -52.412 24.684 8.686 1.00 0.00 H ATOM 913 HH21 ARG A 96 -51.285 23.959 9.890 1.00 0.00 H ATOM 914 H ARG A 96 -45.574 27.879 11.245 1.00 0.00 H ATOM 915 N CYS A 97 -42.861 28.012 9.369 1.00 9.89 N ATOM 916 CA CYS A 97 -41.569 28.421 8.815 1.00 10.44 C ATOM 917 C CYS A 97 -40.399 27.837 9.610 1.00 13.17 C ATOM 918 O CYS A 97 -39.430 27.388 9.015 1.00 11.20 O ATOM 919 CB CYS A 97 -41.432 29.933 8.798 1.00 9.58 C ATOM 920 SG CYS A 97 -42.554 30.713 7.632 1.00 13.85 S ATOM 921 H CYS A 97 -43.509 28.723 9.764 1.00 0.00 H ATOM 922 N ALA A 98 -40.487 27.817 10.937 1.00 9.44 N ATOM 923 CA ALA A 98 -39.444 27.158 11.734 1.00 9.87 C ATOM 924 C ALA A 98 -39.313 25.662 11.398 1.00 10.70 C ATOM 925 O ALA A 98 -38.206 25.126 11.350 1.00 10.55 O ATOM 926 CB ALA A 98 -39.730 27.328 13.230 1.00 11.02 C ATOM 927 H ALA A 98 -41.295 28.268 11.411 1.00 0.00 H ATOM 928 N ALA A 99 -40.443 25.003 11.177 1.00 9.87 N ATOM 929 CA ALA A 99 -40.437 23.591 10.765 1.00 9.11 C ATOM 930 C ALA A 99 -39.742 23.381 9.428 1.00 9.70 C ATOM 931 O ALA A 99 -38.921 22.475 9.271 1.00 10.46 O ATOM 932 CB ALA A 99 -41.864 23.068 10.693 1.00 9.81 C ATOM 933 H ALA A 99 -41.351 25.495 11.297 1.00 0.00 H ATOM 934 N ILE A 100 -40.129 24.189 8.450 1.00 9.75 N ATOM 935 CA ILE A 100 -39.496 24.117 7.128 1.00 9.77 C ATOM 936 C ILE A 100 -37.990 24.359 7.245 1.00 8.69 C ATOM 937 O ILE A 100 -37.185 23.649 6.622 1.00 11.02 O ATOM 938 CB ILE A 100 -40.153 25.079 6.146 1.00 10.45 C ATOM 939 CG1 ILE A 100 -41.605 24.668 5.906 1.00 9.36 C ATOM 940 CG2 ILE A 100 -39.371 25.054 4.780 1.00 9.68 C ATOM 941 CD1 ILE A 100 -42.449 25.814 5.308 1.00 11.60 C ATOM 942 H ILE A 100 -40.888 24.880 8.621 1.00 0.00 H ATOM 943 N ASN A 101 -37.602 25.352 8.045 1.00 9.44 N ATOM 944 CA ASN A 101 -36.181 25.667 8.236 1.00 8.34 C ATOM 945 C ASN A 101 -35.415 24.426 8.727 1.00 11.90 C ATOM 946 O ASN A 101 -34.373 24.080 8.168 1.00 10.34 O ATOM 947 CB ASN A 101 -36.065 26.829 9.273 1.00 7.82 C ATOM 948 CG ASN A 101 -34.681 27.446 9.319 1.00 11.29 C ATOM 949 OD1 ASN A 101 -33.680 26.774 9.510 1.00 11.50 O ATOM 950 ND2 ASN A 101 -34.637 28.759 9.154 1.00 10.56 N ATOM 951 HD22 ASN A 101 -35.515 29.293 8.994 1.00 0.00 H ATOM 952 HD21 ASN A 101 -33.724 29.257 9.185 1.00 0.00 H ATOM 953 H ASN A 101 -38.320 25.915 8.544 1.00 0.00 H ATOM 954 N MET A 102 -35.946 23.738 9.733 1.00 10.22 N ATOM 955 CA MET A 102 -35.260 22.555 10.240 1.00 8.36 C ATOM 956 C MET A 102 -35.134 21.470 9.169 1.00 10.98 C ATOM 957 O MET A 102 -34.085 20.848 9.043 1.00 11.25 O ATOM 958 CB MET A 102 -35.957 21.982 11.484 1.00 9.36 C ATOM 959 CG MET A 102 -35.787 22.886 12.691 1.00 10.01 C ATOM 960 SD MET A 102 -36.426 22.103 14.170 1.00 12.49 S ATOM 961 CE MET A 102 -35.130 20.923 14.540 1.00 12.24 C ATOM 962 H MET A 102 -36.846 24.042 10.156 1.00 0.00 H ATOM 963 N VAL A 103 -36.203 21.246 8.419 1.00 10.81 N ATOM 964 CA VAL A 103 -36.166 20.202 7.385 1.00 10.09 C ATOM 965 C VAL A 103 -35.230 20.598 6.252 1.00 9.74 C ATOM 966 O VAL A 103 -34.521 19.743 5.687 1.00 13.17 O ATOM 967 CB VAL A 103 -37.585 19.888 6.889 1.00 12.31 C ATOM 968 CG1 VAL A 103 -37.549 19.006 5.628 1.00 16.48 C ATOM 969 CG2 VAL A 103 -38.384 19.183 8.012 1.00 13.52 C ATOM 970 H VAL A 103 -37.067 21.808 8.562 1.00 0.00 H ATOM 971 N PHE A 104 -35.162 21.885 5.954 1.00 11.17 N ATOM 972 CA PHE A 104 -34.189 22.375 4.975 1.00 11.60 C ATOM 973 C PHE A 104 -32.761 22.088 5.432 1.00 13.11 C ATOM 974 O PHE A 104 -31.939 21.589 4.655 1.00 13.01 O ATOM 975 CB PHE A 104 -34.435 23.871 4.717 1.00 9.10 C ATOM 976 CG PHE A 104 -33.577 24.475 3.617 1.00 10.76 C ATOM 977 CD1 PHE A 104 -32.267 24.823 3.873 1.00 12.51 C ATOM 978 CD2 PHE A 104 -34.130 24.786 2.380 1.00 16.23 C ATOM 979 CE1 PHE A 104 -31.487 25.435 2.871 1.00 15.96 C ATOM 980 CE2 PHE A 104 -33.357 25.406 1.377 1.00 13.74 C ATOM 981 CZ PHE A 104 -32.032 25.720 1.638 1.00 15.13 C ATOM 982 H PHE A 104 -35.806 22.556 6.420 1.00 0.00 H ATOM 983 N GLN A 105 -32.478 22.299 6.709 1.00 11.00 N ATOM 984 CA GLN A 105 -31.117 22.128 7.185 1.00 11.27 C ATOM 985 C GLN A 105 -30.740 20.656 7.313 1.00 16.45 C ATOM 986 O GLN A 105 -29.636 20.262 6.942 1.00 15.14 O ATOM 987 CB GLN A 105 -30.956 22.811 8.562 1.00 11.69 C ATOM 988 CG GLN A 105 -29.488 22.775 9.036 1.00 13.19 C ATOM 989 CD GLN A 105 -29.284 23.488 10.347 1.00 14.60 C ATOM 990 OE1 GLN A 105 -30.212 24.032 10.918 1.00 12.34 O ATOM 991 NE2 GLN A 105 -28.069 23.442 10.859 1.00 15.14 N ATOM 992 HE22 GLN A 105 -27.303 22.967 10.339 1.00 0.00 H ATOM 993 HE21 GLN A 105 -27.877 23.880 11.782 1.00 0.00 H ATOM 994 H GLN A 105 -33.229 22.586 7.369 1.00 0.00 H ATOM 995 N MET A 106 -31.638 19.845 7.862 1.00 13.11 N ATOM 996 CA MET A 106 -31.234 18.491 8.244 1.00 14.22 C ATOM 997 C MET A 106 -31.935 17.362 7.505 1.00 17.87 C ATOM 998 O MET A 106 -31.564 16.191 7.685 1.00 17.64 O ATOM 999 CB MET A 106 -31.309 18.293 9.771 1.00 17.08 C ATOM 1000 CG MET A 106 -32.675 18.475 10.386 1.00 9.91 C ATOM 1001 SD MET A 106 -32.672 18.386 12.197 1.00 23.02 S ATOM 1002 CE MET A 106 -32.195 20.063 12.618 1.00 20.01 C ATOM 1003 H MET A 106 -32.614 20.168 8.018 1.00 0.00 H ATOM 1004 N GLY A 107 -32.906 17.701 6.658 1.00 13.94 N ATOM 1005 CA GLY A 107 -33.643 16.716 5.884 1.00 15.07 C ATOM 1006 C GLY A 107 -34.753 16.068 6.702 1.00 16.28 C ATOM 1007 O GLY A 107 -34.802 16.193 7.926 1.00 18.49 O ATOM 1008 H GLY A 107 -33.145 18.707 6.547 1.00 0.00 H ATOM 1009 N GLU A 108 -35.719 15.546 5.945 1.00 22.37 N ATOM 1010 CA GLU A 108 -37.016 15.084 6.436 1.00 21.08 C ATOM 1011 C GLU A 108 -36.874 13.899 7.374 1.00 19.82 C ATOM 1012 O GLU A 108 -37.431 13.897 8.462 1.00 17.94 O ATOM 1013 CB GLU A 108 -37.919 14.723 5.248 1.00 25.79 C ATOM 1014 CG GLU A 108 -39.011 13.714 5.554 1.00 26.06 C ATOM 1015 CD GLU A 108 -39.531 12.999 4.311 1.00 32.02 C ATOM 1016 OE1 GLU A 108 -40.571 12.307 4.421 1.00 31.91 O ATOM 1017 OE2 GLU A 108 -38.911 13.121 3.221 1.00 32.02 O ATOM 1018 H GLU A 108 -35.535 15.461 4.925 1.00 0.00 H ATOM 1019 N THR A 109 -36.131 12.883 6.946 1.00 21.51 N ATOM 1020 CA THR A 109 -35.892 11.726 7.799 1.00 23.72 C ATOM 1021 C THR A 109 -35.215 12.126 9.113 1.00 22.54 C ATOM 1022 O THR A 109 -35.564 11.621 10.195 1.00 24.36 O ATOM 1023 CB THR A 109 -35.054 10.665 7.052 1.00 22.47 C ATOM 1024 OG1 THR A 109 -33.821 11.249 6.624 1.00 35.75 O ATOM 1025 CG2 THR A 109 -35.810 10.187 5.829 1.00 22.43 C ATOM 1026 HG1 THR A 109 -34.010 12.009 6.018 1.00 0.00 H ATOM 1027 H THR A 109 -35.716 12.914 5.993 1.00 0.00 H ATOM 1028 N GLY A 110 -34.260 13.045 9.025 1.00 23.71 N ATOM 1029 CA GLY A 110 -33.561 13.519 10.209 1.00 23.41 C ATOM 1030 C GLY A 110 -34.511 14.121 11.226 1.00 20.60 C ATOM 1031 O GLY A 110 -34.552 13.713 12.390 1.00 24.46 O ATOM 1032 H GLY A 110 -34.008 13.432 8.093 1.00 0.00 H ATOM 1033 N VAL A 111 -35.282 15.103 10.785 1.00 17.89 N ATOM 1034 CA VAL A 111 -36.211 15.800 11.669 1.00 18.60 C ATOM 1035 C VAL A 111 -37.293 14.865 12.206 1.00 16.82 C ATOM 1036 O VAL A 111 -37.746 15.008 13.342 1.00 16.58 O ATOM 1037 CB VAL A 111 -36.886 16.956 10.922 1.00 19.10 C ATOM 1038 CG1 VAL A 111 -37.815 17.720 11.840 1.00 18.76 C ATOM 1039 CG2 VAL A 111 -35.823 17.882 10.334 1.00 22.63 C ATOM 1040 H VAL A 111 -35.224 15.384 9.785 1.00 0.00 H ATOM 1041 N ALA A 112 -37.739 13.938 11.369 1.00 16.86 N ATOM 1042 CA ALA A 112 -38.839 13.054 11.737 1.00 16.11 C ATOM 1043 C ALA A 112 -38.494 12.205 12.956 1.00 21.36 C ATOM 1044 O ALA A 112 -39.378 11.634 13.613 1.00 22.47 O ATOM 1045 CB ALA A 112 -39.235 12.173 10.537 1.00 16.25 C ATOM 1046 H ALA A 112 -37.296 13.840 10.433 1.00 0.00 H ATOM 1047 N GLY A 113 -37.201 12.124 13.263 1.00 15.85 N ATOM 1048 CA GLY A 113 -36.750 11.405 14.443 1.00 23.30 C ATOM 1049 C GLY A 113 -36.804 12.190 15.751 1.00 23.07 C ATOM 1050 O GLY A 113 -36.596 11.616 16.826 1.00 23.77 O ATOM 1051 H GLY A 113 -36.501 12.584 12.647 1.00 0.00 H ATOM 1052 N PHE A 114 -37.074 13.493 15.660 1.00 20.72 N ATOM 1053 CA PHE A 114 -37.183 14.365 16.839 1.00 16.38 C ATOM 1054 C PHE A 114 -38.534 14.123 17.499 1.00 15.19 C ATOM 1055 O PHE A 114 -39.357 15.014 17.619 1.00 17.58 O ATOM 1056 CB PHE A 114 -37.067 15.833 16.424 1.00 14.28 C ATOM 1057 CG PHE A 114 -35.643 16.345 16.330 1.00 15.84 C ATOM 1058 CD1 PHE A 114 -35.305 17.589 16.857 1.00 15.68 C ATOM 1059 CD2 PHE A 114 -34.650 15.584 15.730 1.00 21.87 C ATOM 1060 CE1 PHE A 114 -33.997 18.058 16.794 1.00 22.57 C ATOM 1061 CE2 PHE A 114 -33.347 16.052 15.661 1.00 17.90 C ATOM 1062 CZ PHE A 114 -33.025 17.285 16.180 1.00 17.53 C ATOM 1063 H PHE A 114 -37.213 13.909 14.717 1.00 0.00 H ATOM 1064 N THR A 115 -38.756 12.894 17.928 1.00 16.75 N ATOM 1065 CA THR A 115 -40.071 12.454 18.364 1.00 16.27 C ATOM 1066 C THR A 115 -40.664 13.216 19.545 1.00 18.77 C ATOM 1067 O THR A 115 -41.833 13.616 19.517 1.00 16.11 O ATOM 1068 CB THR A 115 -40.054 10.970 18.724 1.00 21.75 C ATOM 1069 OG1 THR A 115 -39.558 10.235 17.605 1.00 23.66 O ATOM 1070 CG2 THR A 115 -41.462 10.491 19.085 1.00 25.31 C ATOM 1071 HG1 THR A 115 -40.148 10.386 16.825 1.00 0.00 H ATOM 1072 H THR A 115 -37.965 12.219 17.955 1.00 0.00 H ATOM 1073 N ASN A 116 -39.870 13.426 20.591 1.00 16.19 N ATOM 1074 CA ASN A 116 -40.395 14.098 21.760 1.00 15.33 C ATOM 1075 C ASN A 116 -40.708 15.582 21.465 1.00 14.74 C ATOM 1076 O ASN A 116 -41.733 16.084 21.897 1.00 14.41 O ATOM 1077 CB ASN A 116 -39.446 13.890 22.957 1.00 15.69 C ATOM 1078 CG ASN A 116 -39.303 12.399 23.299 1.00 32.12 C ATOM 1079 OD1 ASN A 116 -40.297 11.662 23.279 1.00 27.77 O ATOM 1080 ND2 ASN A 116 -38.079 11.942 23.567 1.00 26.50 N ATOM 1081 HD22 ASN A 116 -37.270 12.595 23.574 1.00 0.00 H ATOM 1082 HD21 ASN A 116 -37.934 10.932 23.769 1.00 0.00 H ATOM 1083 H ASN A 116 -38.880 13.110 20.569 1.00 0.00 H ATOM 1084 N SER A 117 -39.859 16.246 20.679 1.00 11.11 N ATOM 1085 CA SER A 117 -40.125 17.645 20.339 1.00 12.99 C ATOM 1086 C SER A 117 -41.368 17.777 19.477 1.00 12.91 C ATOM 1087 O SER A 117 -42.168 18.705 19.657 1.00 13.68 O ATOM 1088 CB SER A 117 -38.932 18.286 19.611 1.00 15.21 C ATOM 1089 OG SER A 117 -37.917 18.651 20.538 1.00 23.47 O ATOM 1090 HG SER A 117 -37.604 17.844 21.018 1.00 0.00 H ATOM 1091 H SER A 117 -39.011 15.771 20.309 1.00 0.00 H ATOM 1092 N LEU A 118 -41.523 16.852 18.533 1.00 12.09 N ATOM 1093 CA LEU A 118 -42.711 16.836 17.666 1.00 12.98 C ATOM 1094 C LEU A 118 -43.971 16.745 18.509 1.00 13.76 C ATOM 1095 O LEU A 118 -44.939 17.475 18.269 1.00 14.28 O ATOM 1096 CB LEU A 118 -42.648 15.683 16.662 1.00 13.81 C ATOM 1097 CG LEU A 118 -41.706 15.893 15.477 1.00 14.92 C ATOM 1098 CD1 LEU A 118 -41.370 14.557 14.836 1.00 15.55 C ATOM 1099 CD2 LEU A 118 -42.344 16.806 14.431 1.00 14.77 C ATOM 1100 H LEU A 118 -40.789 16.126 18.406 1.00 0.00 H ATOM 1101 N ARG A 119 -43.956 15.871 19.508 1.00 13.73 N ATOM 1102 CA ARG A 119 -45.122 15.712 20.362 1.00 16.92 C ATOM 1103 C ARG A 119 -45.381 17.008 21.128 1.00 16.07 C ATOM 1104 O ARG A 119 -46.515 17.477 21.206 1.00 14.94 O ATOM 1105 CB ARG A 119 -44.925 14.552 21.347 1.00 15.75 C ATOM 1106 CG ARG A 119 -46.183 14.252 22.159 1.00 21.97 C ATOM 1107 CD ARG A 119 -45.935 13.141 23.188 1.00 29.55 C ATOM 1108 NE ARG A 119 -44.903 13.556 24.130 1.00 26.29 N ATOM 1109 CZ ARG A 119 -43.660 13.086 24.143 1.00 30.15 C ATOM 1110 NH1 ARG A 119 -43.280 12.138 23.281 1.00 35.37 N ATOM 1111 NH2 ARG A 119 -42.800 13.561 25.033 1.00 43.98 N ATOM 1112 HE ARG A 119 -45.157 14.270 24.842 1.00 0.00 H ATOM 1113 HH12 ARG A 119 -42.304 11.778 23.301 1.00 0.00 H ATOM 1114 HH11 ARG A 119 -43.960 11.760 22.590 1.00 0.00 H ATOM 1115 HH22 ARG A 119 -41.824 13.203 25.055 1.00 0.00 H ATOM 1116 HH21 ARG A 119 -43.101 14.292 25.709 1.00 0.00 H ATOM 1117 H ARG A 119 -43.106 15.297 19.681 1.00 0.00 H ATOM 1118 N MET A 120 -44.340 17.603 21.709 1.00 11.52 N ATOM 1119 CA MET A 120 -44.552 18.832 22.487 1.00 12.07 C ATOM 1120 C MET A 120 -45.061 19.965 21.592 1.00 13.73 C ATOM 1121 O MET A 120 -45.906 20.752 22.004 1.00 13.06 O ATOM 1122 CB MET A 120 -43.278 19.272 23.217 1.00 11.65 C ATOM 1123 CG MET A 120 -42.821 18.214 24.202 1.00 17.50 C ATOM 1124 SD MET A 120 -41.199 18.637 24.829 1.00 20.91 S ATOM 1125 CE MET A 120 -40.745 17.156 25.739 1.00 27.35 C ATOM 1126 H MET A 120 -43.386 17.201 21.613 1.00 0.00 H ATOM 1127 N LEU A 121 -44.545 20.052 20.372 1.00 12.06 N ATOM 1128 CA LEU A 121 -45.052 21.064 19.436 1.00 10.83 C ATOM 1129 C LEU A 121 -46.506 20.793 19.078 1.00 12.53 C ATOM 1130 O LEU A 121 -47.300 21.713 19.053 1.00 12.56 O ATOM 1131 CB LEU A 121 -44.207 21.080 18.147 1.00 11.55 C ATOM 1132 CG LEU A 121 -42.777 21.607 18.316 1.00 12.02 C ATOM 1133 CD1 LEU A 121 -42.003 21.395 17.005 1.00 14.04 C ATOM 1134 CD2 LEU A 121 -42.725 23.096 18.659 1.00 11.89 C ATOM 1135 H LEU A 121 -43.784 19.406 20.080 1.00 0.00 H ATOM 1136 N GLN A 122 -46.840 19.539 18.786 1.00 11.05 N ATOM 1137 CA GLN A 122 -48.245 19.205 18.475 1.00 15.84 C ATOM 1138 C GLN A 122 -49.159 19.581 19.659 1.00 15.52 C ATOM 1139 O GLN A 122 -50.303 20.034 19.463 1.00 16.06 O ATOM 1140 CB GLN A 122 -48.380 17.717 18.132 1.00 17.27 C ATOM 1141 CG GLN A 122 -49.836 17.304 17.919 1.00 24.26 C ATOM 1142 CD GLN A 122 -50.109 16.723 16.565 1.00 27.34 C ATOM 1143 OE1 GLN A 122 -49.301 15.978 16.022 1.00 29.08 O ATOM 1144 NE2 GLN A 122 -51.276 17.044 16.013 1.00 28.75 N ATOM 1145 HE22 GLN A 122 -51.930 17.681 16.512 1.00 0.00 H ATOM 1146 HE21 GLN A 122 -51.535 16.658 15.082 1.00 0.00 H ATOM 1147 H GLN A 122 -46.113 18.795 18.777 1.00 0.00 H ATOM 1148 N GLN A 123 -48.653 19.416 20.884 1.00 11.89 N ATOM 1149 CA GLN A 123 -49.423 19.744 22.097 1.00 11.77 C ATOM 1150 C GLN A 123 -49.409 21.238 22.435 1.00 13.95 C ATOM 1151 O GLN A 123 -49.985 21.666 23.450 1.00 14.76 O ATOM 1152 CB GLN A 123 -48.866 18.964 23.287 1.00 15.02 C ATOM 1153 CG GLN A 123 -49.101 17.470 23.231 1.00 20.32 C ATOM 1154 CD GLN A 123 -48.384 16.763 24.388 1.00 22.87 C ATOM 1155 OE1 GLN A 123 -47.214 17.047 24.683 1.00 30.48 O ATOM 1156 NE2 GLN A 123 -49.072 15.842 25.032 1.00 41.87 N ATOM 1157 HE22 GLN A 123 -50.052 15.634 24.752 1.00 0.00 H ATOM 1158 HE21 GLN A 123 -48.635 15.323 25.820 1.00 0.00 H ATOM 1159 H GLN A 123 -47.687 19.045 20.985 1.00 0.00 H ATOM 1160 N LYS A 124 -48.696 22.023 21.630 1.00 11.66 N ATOM 1161 CA LYS A 124 -48.510 23.452 21.879 1.00 11.81 C ATOM 1162 C LYS A 124 -47.897 23.776 23.241 1.00 12.87 C ATOM 1163 O LYS A 124 -48.217 24.790 23.852 1.00 13.60 O ATOM 1164 CB LYS A 124 -49.819 24.226 21.664 1.00 12.73 C ATOM 1165 CG LYS A 124 -50.385 23.950 20.259 1.00 14.66 C ATOM 1166 CD LYS A 124 -51.467 24.999 19.905 1.00 15.47 C ATOM 1167 CE LYS A 124 -51.966 24.803 18.490 1.00 15.12 C ATOM 1168 NZ LYS A 124 -50.870 24.901 17.459 1.00 16.58 N ATOM 1169 HZ1 LYS A 124 -50.429 25.842 17.511 1.00 0.00 H ATOM 1170 HZ2 LYS A 124 -50.154 24.170 17.646 1.00 0.00 H ATOM 1171 HZ3 LYS A 124 -51.274 24.758 16.511 1.00 0.00 H ATOM 1172 H LYS A 124 -48.253 21.602 20.789 1.00 0.00 H ATOM 1173 N ARG A 125 -46.991 22.911 23.686 1.00 12.42 N ATOM 1174 CA ARG A 125 -46.239 23.136 24.916 1.00 11.75 C ATOM 1175 C ARG A 125 -44.926 23.789 24.489 1.00 12.04 C ATOM 1176 O ARG A 125 -43.888 23.135 24.382 1.00 14.42 O ATOM 1177 CB ARG A 125 -46.004 21.797 25.617 1.00 14.56 C ATOM 1178 CG ARG A 125 -47.313 21.172 26.108 1.00 15.62 C ATOM 1179 CD ARG A 125 -47.096 19.811 26.775 1.00 21.64 C ATOM 1180 NE ARG A 125 -48.350 19.288 27.329 1.00 31.96 N ATOM 1181 HE ARG A 125 -49.228 19.837 27.236 1.00 0.00 H ATOM 1182 H ARG A 125 -46.812 22.045 23.139 1.00 0.00 H ATOM 1183 N TRP A 126 -44.989 25.087 24.221 1.00 13.63 N ATOM 1184 CA TRP A 126 -43.899 25.728 23.491 1.00 12.97 C ATOM 1185 C TRP A 126 -42.601 25.830 24.277 1.00 14.21 C ATOM 1186 O TRP A 126 -41.540 25.609 23.733 1.00 14.42 O ATOM 1187 CB TRP A 126 -44.304 27.119 23.012 1.00 10.33 C ATOM 1188 CG TRP A 126 -45.603 27.171 22.280 1.00 9.43 C ATOM 1189 CD1 TRP A 126 -46.684 27.965 22.598 1.00 14.21 C ATOM 1190 CD2 TRP A 126 -45.956 26.484 21.067 1.00 11.49 C ATOM 1191 NE1 TRP A 126 -47.690 27.770 21.689 1.00 12.82 N ATOM 1192 CE2 TRP A 126 -47.271 26.870 20.733 1.00 11.77 C ATOM 1193 CE3 TRP A 126 -45.307 25.547 20.263 1.00 11.42 C ATOM 1194 CZ2 TRP A 126 -47.925 26.387 19.605 1.00 13.51 C ATOM 1195 CZ3 TRP A 126 -45.969 25.051 19.137 1.00 12.42 C ATOM 1196 CH2 TRP A 126 -47.262 25.472 18.818 1.00 13.53 C ATOM 1197 HE1 TRP A 126 -48.623 28.229 21.716 1.00 0.00 H ATOM 1198 H TRP A 126 -45.811 25.645 24.529 1.00 0.00 H ATOM 1199 N ASP A 127 -42.673 26.199 25.565 1.00 14.32 N ATOM 1200 CA ASP A 127 -41.439 26.284 26.336 1.00 13.88 C ATOM 1201 C ASP A 127 -40.825 24.902 26.514 1.00 14.72 C ATOM 1202 O ASP A 127 -39.610 24.766 26.454 1.00 14.73 O ATOM 1203 CB ASP A 127 -41.684 26.904 27.719 1.00 15.43 C ATOM 1204 CG ASP A 127 -41.893 28.420 27.670 1.00 24.73 C ATOM 1205 OD1 ASP A 127 -42.252 28.961 26.608 1.00 30.13 O ATOM 1206 OD2 ASP A 127 -41.731 29.080 28.732 1.00 27.56 O ATOM 1207 H ASP A 127 -43.590 26.420 26.004 1.00 0.00 H ATOM 1208 N GLU A 128 -41.652 23.882 26.726 1.00 12.88 N ATOM 1209 CA GLU A 128 -41.130 22.520 26.824 1.00 14.26 C ATOM 1210 C GLU A 128 -40.459 22.073 25.532 1.00 13.57 C ATOM 1211 O GLU A 128 -39.383 21.470 25.566 1.00 13.91 O ATOM 1212 CB GLU A 128 -42.254 21.560 27.202 1.00 18.38 C ATOM 1213 CG GLU A 128 -42.813 21.890 28.581 1.00 24.49 C ATOM 1214 CD GLU A 128 -43.877 20.916 29.018 1.00 44.89 C ATOM 1215 OE1 GLU A 128 -43.552 19.714 29.172 1.00 45.55 O ATOM 1216 OE2 GLU A 128 -45.036 21.352 29.199 1.00 45.31 O ATOM 1217 H GLU A 128 -42.673 24.054 26.822 1.00 0.00 H ATOM 1218 N ALA A 129 -41.106 22.342 24.401 1.00 11.53 N ATOM 1219 CA ALA A 129 -40.531 22.005 23.092 1.00 10.03 C ATOM 1220 C ALA A 129 -39.197 22.704 22.925 1.00 12.63 C ATOM 1221 O ALA A 129 -38.225 22.097 22.477 1.00 13.66 O ATOM 1222 CB ALA A 129 -41.482 22.418 21.951 1.00 13.09 C ATOM 1223 H ALA A 129 -42.038 22.801 24.445 1.00 0.00 H ATOM 1224 N ALA A 130 -39.132 23.978 23.312 1.00 11.75 N ATOM 1225 CA ALA A 130 -37.901 24.742 23.147 1.00 11.47 C ATOM 1226 C ALA A 130 -36.760 24.127 23.962 1.00 14.12 C ATOM 1227 O ALA A 130 -35.616 24.054 23.495 1.00 14.11 O ATOM 1228 CB ALA A 130 -38.131 26.200 23.552 1.00 15.73 C ATOM 1229 H ALA A 130 -39.967 24.431 23.735 1.00 0.00 H ATOM 1230 N VAL A 131 -37.064 23.700 25.185 1.00 12.12 N ATOM 1231 CA VAL A 131 -36.061 23.036 26.018 1.00 12.79 C ATOM 1232 C VAL A 131 -35.610 21.732 25.376 1.00 14.07 C ATOM 1233 O VAL A 131 -34.430 21.417 25.312 1.00 14.52 O ATOM 1234 CB VAL A 131 -36.604 22.780 27.437 1.00 13.96 C ATOM 1235 CG1 VAL A 131 -35.651 21.867 28.213 1.00 17.28 C ATOM 1236 CG2 VAL A 131 -36.736 24.110 28.145 1.00 16.39 C ATOM 1237 H VAL A 131 -38.026 23.840 25.553 1.00 0.00 H ATOM 1238 N ASN A 132 -36.561 20.958 24.896 1.00 12.73 N ATOM 1239 CA ASN A 132 -36.198 19.672 24.317 1.00 14.06 C ATOM 1240 C ASN A 132 -35.370 19.832 23.038 1.00 13.24 C ATOM 1241 O ASN A 132 -34.420 19.075 22.791 1.00 12.04 O ATOM 1242 CB ASN A 132 -37.458 18.883 24.007 1.00 14.42 C ATOM 1243 CG ASN A 132 -37.154 17.462 23.571 1.00 16.64 C ATOM 1244 OD1 ASN A 132 -37.097 17.137 22.372 1.00 18.55 O ATOM 1245 ND2 ASN A 132 -36.933 16.600 24.552 1.00 17.79 N ATOM 1246 HD22 ASN A 132 -36.991 16.913 25.542 1.00 0.00 H ATOM 1247 HD21 ASN A 132 -36.702 15.610 24.332 1.00 0.00 H ATOM 1248 H ASN A 132 -37.556 21.260 24.930 1.00 0.00 H ATOM 1249 N LEU A 133 -35.737 20.828 22.226 1.00 11.69 N ATOM 1250 CA LEU A 133 -35.043 21.027 20.946 1.00 12.09 C ATOM 1251 C LEU A 133 -33.576 21.354 21.155 1.00 13.14 C ATOM 1252 O LEU A 133 -32.752 21.026 20.319 1.00 14.55 O ATOM 1253 CB LEU A 133 -35.708 22.156 20.141 1.00 12.84 C ATOM 1254 CG LEU A 133 -37.018 21.802 19.432 1.00 12.21 C ATOM 1255 CD1 LEU A 133 -37.728 23.071 19.027 1.00 13.40 C ATOM 1256 CD2 LEU A 133 -36.738 20.912 18.222 1.00 14.01 C ATOM 1257 H LEU A 133 -36.514 21.463 22.500 1.00 0.00 H ATOM 1258 N ALA A 134 -33.249 22.011 22.266 1.00 12.02 N ATOM 1259 CA ALA A 134 -31.857 22.414 22.494 1.00 14.12 C ATOM 1260 C ALA A 134 -30.983 21.270 22.968 1.00 13.90 C ATOM 1261 O ALA A 134 -29.730 21.373 22.970 1.00 14.88 O ATOM 1262 CB ALA A 134 -31.789 23.591 23.443 1.00 14.63 C ATOM 1263 H ALA A 134 -33.979 22.238 22.971 1.00 0.00 H ATOM 1264 N LYS A 135 -31.628 20.176 23.341 1.00 12.19 N ATOM 1265 CA LYS A 135 -30.904 18.972 23.752 1.00 13.02 C ATOM 1266 C LYS A 135 -30.575 18.133 22.520 1.00 11.58 C ATOM 1267 O LYS A 135 -31.077 17.032 22.363 1.00 14.17 O ATOM 1268 CB LYS A 135 -31.727 18.146 24.756 1.00 14.57 C ATOM 1269 CG LYS A 135 -31.962 18.865 26.076 1.00 18.34 C ATOM 1270 CD LYS A 135 -32.959 18.107 26.943 1.00 21.98 C ATOM 1271 CE LYS A 135 -33.267 18.916 28.207 1.00 30.79 C ATOM 1272 NZ LYS A 135 -34.285 18.231 29.086 1.00 30.77 N ATOM 1273 HZ1 LYS A 135 -35.171 18.107 28.556 1.00 0.00 H ATOM 1274 HZ2 LYS A 135 -33.921 17.301 29.377 1.00 0.00 H ATOM 1275 HZ3 LYS A 135 -34.462 18.814 29.929 1.00 0.00 H ATOM 1276 H LYS A 135 -32.668 20.172 23.342 1.00 0.00 H ATOM 1277 N SER A 136 -29.720 18.658 21.656 1.00 11.60 N ATOM 1278 CA SER A 136 -29.537 18.061 20.338 1.00 12.94 C ATOM 1279 C SER A 136 -28.172 18.372 19.788 1.00 13.30 C ATOM 1280 O SER A 136 -27.599 19.419 20.098 1.00 11.35 O ATOM 1281 CB SER A 136 -30.581 18.585 19.325 1.00 11.19 C ATOM 1282 OG SER A 136 -30.508 20.017 19.170 1.00 10.99 O ATOM 1283 HG SER A 136 -30.677 20.451 20.043 1.00 0.00 H ATOM 1284 H SER A 136 -29.174 19.503 21.919 1.00 0.00 H ATOM 1285 N ARG A 137 -27.683 17.488 18.923 1.00 11.32 N ATOM 1286 CA ARG A 137 -26.458 17.775 18.204 1.00 10.13 C ATOM 1287 C ARG A 137 -26.640 19.059 17.397 1.00 12.15 C ATOM 1288 O ARG A 137 -25.752 19.925 17.329 1.00 12.78 O ATOM 1289 CB ARG A 137 -26.046 16.595 17.304 1.00 10.53 C ATOM 1290 CG ARG A 137 -24.772 16.951 16.502 1.00 15.37 C ATOM 1291 CD ARG A 137 -24.316 15.872 15.540 1.00 17.54 C ATOM 1292 NE ARG A 137 -23.027 16.248 14.925 1.00 17.39 N ATOM 1293 CZ ARG A 137 -22.888 17.052 13.868 1.00 20.74 C ATOM 1294 NH1 ARG A 137 -23.949 17.608 13.277 1.00 21.47 N ATOM 1295 NH2 ARG A 137 -21.670 17.330 13.408 1.00 21.05 N ATOM 1296 HE ARG A 137 -22.161 15.857 15.348 1.00 0.00 H ATOM 1297 HH12 ARG A 137 -23.819 18.231 12.455 1.00 0.00 H ATOM 1298 HH11 ARG A 137 -24.905 17.418 13.639 1.00 0.00 H ATOM 1299 HH22 ARG A 137 -21.555 17.956 12.585 1.00 0.00 H ATOM 1300 HH21 ARG A 137 -20.833 16.922 13.872 1.00 0.00 H ATOM 1301 H ARG A 137 -28.181 16.589 18.762 1.00 0.00 H ATOM 1302 N TRP A 138 -27.835 19.208 16.836 1.00 10.86 N ATOM 1303 CA TRP A 138 -28.165 20.391 16.045 1.00 12.47 C ATOM 1304 C TRP A 138 -27.880 21.684 16.793 1.00 12.68 C ATOM 1305 O TRP A 138 -27.177 22.582 16.284 1.00 13.76 O ATOM 1306 CB TRP A 138 -29.649 20.306 15.718 1.00 11.21 C ATOM 1307 CG TRP A 138 -30.235 21.518 15.068 1.00 12.29 C ATOM 1308 CD1 TRP A 138 -29.850 22.108 13.879 1.00 16.29 C ATOM 1309 CD2 TRP A 138 -31.365 22.246 15.540 1.00 9.78 C ATOM 1310 NE1 TRP A 138 -30.686 23.192 13.602 1.00 13.08 N ATOM 1311 CE2 TRP A 138 -31.625 23.282 14.601 1.00 11.97 C ATOM 1312 CE3 TRP A 138 -32.187 22.125 16.660 1.00 10.27 C ATOM 1313 CZ2 TRP A 138 -32.678 24.176 14.746 1.00 11.70 C ATOM 1314 CZ3 TRP A 138 -33.245 23.014 16.815 1.00 12.60 C ATOM 1315 CH2 TRP A 138 -33.473 24.042 15.859 1.00 12.37 C ATOM 1316 HE1 TRP A 138 -30.611 23.824 12.779 1.00 0.00 H ATOM 1317 H TRP A 138 -28.552 18.465 16.963 1.00 0.00 H ATOM 1318 N TYR A 139 -28.398 21.796 18.011 1.00 11.89 N ATOM 1319 CA TYR A 139 -28.216 23.008 18.785 1.00 11.49 C ATOM 1320 C TYR A 139 -26.731 23.204 19.095 1.00 14.50 C ATOM 1321 O TYR A 139 -26.197 24.320 19.032 1.00 15.59 O ATOM 1322 CB TYR A 139 -29.011 22.882 20.088 1.00 12.29 C ATOM 1323 CG TYR A 139 -28.872 24.050 21.007 1.00 13.81 C ATOM 1324 CD1 TYR A 139 -29.723 25.137 20.892 1.00 16.99 C ATOM 1325 CD2 TYR A 139 -27.909 24.055 22.012 1.00 19.89 C ATOM 1326 CE1 TYR A 139 -29.610 26.220 21.738 1.00 19.81 C ATOM 1327 CE2 TYR A 139 -27.796 25.132 22.882 1.00 29.21 C ATOM 1328 CZ TYR A 139 -28.652 26.212 22.735 1.00 36.48 C ATOM 1329 OH TYR A 139 -28.549 27.296 23.585 1.00 42.43 O ATOM 1330 HH TYR A 139 -29.231 27.971 23.341 1.00 0.00 H ATOM 1331 H TYR A 139 -28.940 21.005 18.414 1.00 0.00 H ATOM 1332 N ASN A 140 -26.062 22.124 19.480 1.00 10.11 N ATOM 1333 CA ASN A 140 -24.675 22.272 19.872 1.00 11.07 C ATOM 1334 C ASN A 140 -23.761 22.629 18.713 1.00 11.20 C ATOM 1335 O ASN A 140 -22.795 23.401 18.888 1.00 15.26 O ATOM 1336 CB ASN A 140 -24.187 20.983 20.540 1.00 13.07 C ATOM 1337 CG ASN A 140 -24.694 20.866 21.956 1.00 17.97 C ATOM 1338 OD1 ASN A 140 -25.677 20.150 22.240 1.00 18.30 O ATOM 1339 ND2 ASN A 140 -24.074 21.616 22.861 1.00 17.15 N ATOM 1340 HD22 ASN A 140 -23.258 22.198 22.583 1.00 0.00 H ATOM 1341 HD21 ASN A 140 -24.404 21.621 23.847 1.00 0.00 H ATOM 1342 H ASN A 140 -26.523 21.192 19.500 1.00 0.00 H ATOM 1343 N GLN A 141 -24.059 22.127 17.520 1.00 9.91 N ATOM 1344 CA GLN A 141 -23.179 22.388 16.387 1.00 10.07 C ATOM 1345 C GLN A 141 -23.480 23.722 15.678 1.00 13.64 C ATOM 1346 O GLN A 141 -22.576 24.388 15.164 1.00 16.19 O ATOM 1347 CB GLN A 141 -23.250 21.233 15.375 1.00 13.36 C ATOM 1348 CG GLN A 141 -22.826 19.874 15.949 1.00 17.99 C ATOM 1349 CD GLN A 141 -21.394 19.863 16.475 1.00 16.85 C ATOM 1350 OE1 GLN A 141 -20.449 20.346 15.791 1.00 20.61 O ATOM 1351 NE2 GLN A 141 -21.220 19.353 17.687 1.00 14.50 N ATOM 1352 HE22 GLN A 141 -22.032 18.967 18.210 1.00 0.00 H ATOM 1353 HE21 GLN A 141 -20.272 19.339 18.114 1.00 0.00 H ATOM 1354 H GLN A 141 -24.916 21.551 17.395 1.00 0.00 H ATOM 1355 N THR A 142 -24.747 24.124 15.658 1.00 12.46 N ATOM 1356 CA THR A 142 -25.098 25.436 15.087 1.00 14.05 C ATOM 1357 C THR A 142 -25.971 26.190 16.088 1.00 13.77 C ATOM 1358 O THR A 142 -27.177 26.371 15.880 1.00 12.85 O ATOM 1359 CB THR A 142 -25.806 25.317 13.705 1.00 14.70 C ATOM 1360 OG1 THR A 142 -26.909 24.392 13.798 1.00 15.10 O ATOM 1361 CG2 THR A 142 -24.848 24.783 12.638 1.00 12.24 C ATOM 1362 HG1 THR A 142 -26.570 23.502 14.070 1.00 0.00 H ATOM 1363 H THR A 142 -25.492 23.511 16.046 1.00 0.00 H ATOM 1364 N PRO A 143 -25.369 26.661 17.190 1.00 10.94 N ATOM 1365 CA PRO A 143 -26.218 27.175 18.266 1.00 11.78 C ATOM 1366 C PRO A 143 -26.885 28.490 17.924 1.00 12.20 C ATOM 1367 O PRO A 143 -27.998 28.684 18.346 1.00 12.83 O ATOM 1368 CB PRO A 143 -25.250 27.316 19.458 1.00 15.79 C ATOM 1369 CG PRO A 143 -23.878 27.401 18.807 1.00 13.80 C ATOM 1370 CD PRO A 143 -23.951 26.548 17.586 1.00 12.68 C ATOM 1371 N ASN A 144 -26.252 29.391 17.176 1.00 10.83 N ATOM 1372 CA ASN A 144 -26.923 30.651 16.932 1.00 10.77 C ATOM 1373 C ASN A 144 -28.140 30.476 16.027 1.00 11.23 C ATOM 1374 O ASN A 144 -29.186 31.083 16.272 1.00 13.23 O ATOM 1375 CB ASN A 144 -25.960 31.676 16.342 1.00 12.37 C ATOM 1376 CG ASN A 144 -24.908 32.142 17.379 1.00 17.09 C ATOM 1377 OD1 ASN A 144 -24.995 31.795 18.561 1.00 30.70 O ATOM 1378 ND2 ASN A 144 -23.967 32.969 16.940 1.00 22.05 N ATOM 1379 HD22 ASN A 144 -23.934 33.233 15.934 1.00 0.00 H ATOM 1380 HD21 ASN A 144 -23.263 33.353 17.602 1.00 0.00 H ATOM 1381 H ASN A 144 -25.310 29.197 16.781 1.00 0.00 H ATOM 1382 N ARG A 145 -28.012 29.609 15.021 1.00 10.88 N ATOM 1383 CA ARG A 145 -29.132 29.354 14.126 1.00 11.68 C ATOM 1384 C ARG A 145 -30.211 28.592 14.876 1.00 13.28 C ATOM 1385 O ARG A 145 -31.399 28.905 14.751 1.00 11.74 O ATOM 1386 CB ARG A 145 -28.712 28.523 12.926 1.00 13.24 C ATOM 1387 CG ARG A 145 -29.896 28.358 11.954 1.00 17.92 C ATOM 1388 CD ARG A 145 -29.607 27.268 11.059 1.00 22.65 C ATOM 1389 NE ARG A 145 -30.648 27.063 10.063 1.00 12.91 N ATOM 1390 CZ ARG A 145 -30.350 26.740 8.819 1.00 12.98 C ATOM 1391 NH1 ARG A 145 -29.071 26.624 8.466 1.00 17.23 N ATOM 1392 NH2 ARG A 145 -31.314 26.515 7.942 1.00 11.50 N ATOM 1393 HE ARG A 145 -31.645 27.173 10.337 1.00 0.00 H ATOM 1394 HH12 ARG A 145 -28.822 26.370 7.489 1.00 0.00 H ATOM 1395 HH11 ARG A 145 -28.321 26.787 9.168 1.00 0.00 H ATOM 1396 HH22 ARG A 145 -31.076 26.261 6.962 1.00 0.00 H ATOM 1397 HH21 ARG A 145 -32.310 26.593 8.232 1.00 0.00 H ATOM 1398 H ARG A 145 -27.109 29.114 14.876 1.00 0.00 H ATOM 1399 N ALA A 146 -29.802 27.591 15.655 1.00 11.89 N ATOM 1400 CA ALA A 146 -30.781 26.804 16.418 1.00 10.88 C ATOM 1401 C ALA A 146 -31.545 27.684 17.387 1.00 15.01 C ATOM 1402 O ALA A 146 -32.765 27.530 17.543 1.00 13.01 O ATOM 1403 CB ALA A 146 -30.101 25.608 17.154 1.00 12.31 C ATOM 1404 H ALA A 146 -28.789 27.366 15.723 1.00 0.00 H ATOM 1405 N LYS A 147 -30.848 28.613 18.048 1.00 10.50 N ATOM 1406 CA LYS A 147 -31.523 29.525 18.970 1.00 10.74 C ATOM 1407 C LYS A 147 -32.555 30.370 18.253 1.00 11.93 C ATOM 1408 O LYS A 147 -33.635 30.623 18.807 1.00 12.90 O ATOM 1409 CB LYS A 147 -30.514 30.425 19.692 1.00 13.34 C ATOM 1410 CG LYS A 147 -29.713 29.725 20.756 1.00 16.40 C ATOM 1411 CD LYS A 147 -28.667 30.718 21.332 1.00 21.55 C ATOM 1412 CE LYS A 147 -27.636 30.013 22.198 1.00 38.70 C ATOM 1413 H LYS A 147 -29.820 28.688 17.906 1.00 0.00 H ATOM 1414 N ARG A 148 -32.259 30.801 17.028 1.00 11.90 N ATOM 1415 CA ARG A 148 -33.266 31.586 16.290 1.00 10.57 C ATOM 1416 C ARG A 148 -34.492 30.756 15.954 1.00 11.70 C ATOM 1417 O ARG A 148 -35.614 31.210 16.092 1.00 11.38 O ATOM 1418 CB ARG A 148 -32.699 32.176 14.991 1.00 10.11 C ATOM 1419 CG ARG A 148 -31.668 33.271 15.227 1.00 12.14 C ATOM 1420 CD ARG A 148 -31.370 34.016 13.913 1.00 9.91 C ATOM 1421 NE ARG A 148 -30.588 33.208 12.971 1.00 11.82 N ATOM 1422 CZ ARG A 148 -29.257 33.090 12.987 1.00 15.65 C ATOM 1423 NH1 ARG A 148 -28.516 33.736 13.898 1.00 14.28 N ATOM 1424 NH2 ARG A 148 -28.662 32.346 12.061 1.00 13.85 N ATOM 1425 HE ARG A 148 -31.108 32.688 12.236 1.00 0.00 H ATOM 1426 HH12 ARG A 148 -27.481 33.632 13.895 1.00 0.00 H ATOM 1427 HH11 ARG A 148 -28.976 34.341 14.608 1.00 0.00 H ATOM 1428 HH22 ARG A 148 -27.627 32.245 12.061 1.00 0.00 H ATOM 1429 HH21 ARG A 148 -29.231 31.864 11.336 1.00 0.00 H ATOM 1430 H ARG A 148 -31.335 30.588 16.600 1.00 0.00 H ATOM 1431 N VAL A 149 -34.257 29.546 15.472 1.00 10.97 N ATOM 1432 CA VAL A 149 -35.352 28.676 15.054 1.00 10.36 C ATOM 1433 C VAL A 149 -36.157 28.285 16.319 1.00 10.14 C ATOM 1434 O VAL A 149 -37.392 28.300 16.320 1.00 11.31 O ATOM 1435 CB VAL A 149 -34.775 27.430 14.364 1.00 10.51 C ATOM 1436 CG1 VAL A 149 -35.871 26.354 14.180 1.00 12.32 C ATOM 1437 CG2 VAL A 149 -34.152 27.832 13.027 1.00 10.57 C ATOM 1438 H VAL A 149 -33.276 29.210 15.390 1.00 0.00 H ATOM 1439 N ILE A 150 -35.463 27.958 17.409 1.00 10.12 N ATOM 1440 CA ILE A 150 -36.161 27.626 18.658 1.00 10.17 C ATOM 1441 C ILE A 150 -36.974 28.789 19.195 1.00 13.25 C ATOM 1442 O ILE A 150 -38.095 28.579 19.664 1.00 12.70 O ATOM 1443 CB ILE A 150 -35.180 27.121 19.750 1.00 9.76 C ATOM 1444 CG1 ILE A 150 -34.625 25.778 19.304 1.00 11.46 C ATOM 1445 CG2 ILE A 150 -35.897 26.975 21.104 1.00 13.67 C ATOM 1446 CD1 ILE A 150 -33.456 25.252 20.133 1.00 12.26 C ATOM 1447 H ILE A 150 -34.424 27.938 17.375 1.00 0.00 H ATOM 1448 N THR A 151 -36.427 30.008 19.142 1.00 10.32 N ATOM 1449 CA THR A 151 -37.202 31.167 19.583 1.00 12.15 C ATOM 1450 C THR A 151 -38.455 31.326 18.749 1.00 12.36 C ATOM 1451 O THR A 151 -39.499 31.744 19.271 1.00 12.34 O ATOM 1452 CB THR A 151 -36.365 32.445 19.473 1.00 13.83 C ATOM 1453 OG1 THR A 151 -35.389 32.391 20.509 1.00 16.90 O ATOM 1454 CG2 THR A 151 -37.224 33.703 19.705 1.00 16.70 C ATOM 1455 HG1 THR A 151 -34.825 33.204 20.472 1.00 0.00 H ATOM 1456 H THR A 151 -35.456 30.131 18.789 1.00 0.00 H ATOM 1457 N THR A 152 -38.344 31.018 17.460 1.00 10.51 N ATOM 1458 CA THR A 152 -39.473 31.108 16.550 1.00 10.57 C ATOM 1459 C THR A 152 -40.552 30.102 16.986 1.00 12.74 C ATOM 1460 O THR A 152 -41.739 30.431 17.023 1.00 11.40 O ATOM 1461 CB THR A 152 -39.054 30.924 15.075 1.00 8.28 C ATOM 1462 OG1 THR A 152 -37.969 31.837 14.809 1.00 11.22 O ATOM 1463 CG2 THR A 152 -40.199 31.226 14.172 1.00 12.60 C ATOM 1464 HG1 THR A 152 -37.211 31.631 15.411 1.00 0.00 H ATOM 1465 H THR A 152 -37.423 30.704 17.093 1.00 0.00 H ATOM 1466 N PHE A 153 -40.137 28.883 17.315 1.00 11.74 N ATOM 1467 CA PHE A 153 -41.111 27.909 17.824 1.00 10.81 C ATOM 1468 C PHE A 153 -41.665 28.315 19.204 1.00 13.88 C ATOM 1469 O PHE A 153 -42.847 28.073 19.525 1.00 14.62 O ATOM 1470 CB PHE A 153 -40.483 26.511 17.974 1.00 11.40 C ATOM 1471 CG PHE A 153 -40.407 25.709 16.704 1.00 11.59 C ATOM 1472 CD1 PHE A 153 -41.572 25.433 15.972 1.00 11.89 C ATOM 1473 CD2 PHE A 153 -39.216 25.125 16.298 1.00 13.03 C ATOM 1474 CE1 PHE A 153 -41.541 24.631 14.835 1.00 14.32 C ATOM 1475 CE2 PHE A 153 -39.169 24.312 15.136 1.00 13.28 C ATOM 1476 CZ PHE A 153 -40.344 24.073 14.408 1.00 11.60 C ATOM 1477 H PHE A 153 -39.135 28.622 17.213 1.00 0.00 H ATOM 1478 N ARG A 154 -40.819 28.880 20.048 1.00 12.16 N ATOM 1479 CA ARG A 154 -41.253 29.208 21.398 1.00 12.75 C ATOM 1480 C ARG A 154 -42.315 30.304 21.370 1.00 14.10 C ATOM 1481 O ARG A 154 -43.302 30.232 22.099 1.00 15.28 O ATOM 1482 CB ARG A 154 -40.064 29.619 22.257 1.00 13.79 C ATOM 1483 CG ARG A 154 -40.400 29.701 23.740 1.00 17.37 C ATOM 1484 CD ARG A 154 -39.212 30.162 24.616 1.00 17.56 C ATOM 1485 NE ARG A 154 -38.488 31.346 24.110 1.00 22.98 N ATOM 1486 CZ ARG A 154 -38.826 32.616 24.363 1.00 36.91 C ATOM 1487 NH1 ARG A 154 -39.901 32.895 25.099 1.00 30.00 N ATOM 1488 NH2 ARG A 154 -38.103 33.619 23.867 1.00 32.09 N ATOM 1489 HE ARG A 154 -37.653 31.180 23.512 1.00 0.00 H ATOM 1490 HH12 ARG A 154 -40.157 33.884 25.291 1.00 0.00 H ATOM 1491 HH11 ARG A 154 -40.484 32.123 25.481 1.00 0.00 H ATOM 1492 HH22 ARG A 154 -38.372 34.603 24.068 1.00 0.00 H ATOM 1493 HH21 ARG A 154 -37.269 33.418 23.279 1.00 0.00 H ATOM 1494 H ARG A 154 -39.846 29.090 19.748 1.00 0.00 H ATOM 1495 N THR A 155 -42.118 31.301 20.513 1.00 13.38 N ATOM 1496 CA THR A 155 -42.922 32.533 20.560 1.00 16.57 C ATOM 1497 C THR A 155 -43.949 32.675 19.455 1.00 15.44 C ATOM 1498 O THR A 155 -44.926 33.421 19.607 1.00 15.61 O ATOM 1499 CB THR A 155 -42.043 33.795 20.486 1.00 16.47 C ATOM 1500 OG1 THR A 155 -41.405 33.869 19.188 1.00 14.78 O ATOM 1501 CG2 THR A 155 -40.989 33.787 21.602 1.00 13.84 C ATOM 1502 HG1 THR A 155 -40.841 33.067 19.053 1.00 0.00 H ATOM 1503 H THR A 155 -41.376 31.208 19.790 1.00 0.00 H ATOM 1504 N GLY A 156 -43.716 32.042 18.310 1.00 13.13 N ATOM 1505 CA GLY A 156 -44.608 32.181 17.190 1.00 13.48 C ATOM 1506 C GLY A 156 -44.484 33.562 16.595 1.00 13.29 C ATOM 1507 O GLY A 156 -45.412 34.038 15.940 1.00 15.07 O ATOM 1508 H GLY A 156 -42.875 31.436 18.222 1.00 0.00 H ATOM 1509 N THR A 157 -43.349 34.217 16.853 1.00 13.90 N ATOM 1510 CA THR A 157 -43.050 35.521 16.274 1.00 12.12 C ATOM 1511 C THR A 157 -41.726 35.469 15.545 1.00 12.01 C ATOM 1512 O THR A 157 -40.971 34.505 15.682 1.00 12.72 O ATOM 1513 CB THR A 157 -42.874 36.608 17.347 1.00 12.92 C ATOM 1514 OG1 THR A 157 -41.614 36.447 18.034 1.00 16.62 O ATOM 1515 CG2 THR A 157 -44.014 36.565 18.345 1.00 15.12 C ATOM 1516 HG1 THR A 157 -41.588 35.559 18.470 1.00 0.00 H ATOM 1517 H THR A 157 -42.653 33.781 17.491 1.00 0.00 H ATOM 1518 N TRP A 158 -41.431 36.545 14.826 1.00 13.38 N ATOM 1519 CA TRP A 158 -40.164 36.669 14.131 1.00 10.12 C ATOM 1520 C TRP A 158 -39.114 37.435 14.933 1.00 12.81 C ATOM 1521 O TRP A 158 -38.146 37.944 14.367 1.00 14.85 O ATOM 1522 CB TRP A 158 -40.391 37.383 12.787 1.00 12.65 C ATOM 1523 CG TRP A 158 -41.186 36.606 11.807 1.00 13.68 C ATOM 1524 CD1 TRP A 158 -42.465 36.845 11.380 1.00 13.09 C ATOM 1525 CD2 TRP A 158 -40.736 35.445 11.105 1.00 11.48 C ATOM 1526 NE1 TRP A 158 -42.841 35.890 10.461 1.00 14.66 N ATOM 1527 CE2 TRP A 158 -41.793 35.025 10.268 1.00 13.02 C ATOM 1528 CE3 TRP A 158 -39.538 34.720 11.109 1.00 14.16 C ATOM 1529 CZ2 TRP A 158 -41.688 33.915 9.434 1.00 13.60 C ATOM 1530 CZ3 TRP A 158 -39.430 33.619 10.288 1.00 13.74 C ATOM 1531 CH2 TRP A 158 -40.496 33.230 9.446 1.00 14.70 C ATOM 1532 HE1 TRP A 158 -43.767 35.834 9.991 1.00 0.00 H ATOM 1533 H TRP A 158 -42.124 37.317 14.759 1.00 0.00 H ATOM 1534 N ASP A 159 -39.303 37.533 16.241 1.00 14.59 N ATOM 1535 CA ASP A 159 -38.391 38.337 17.052 1.00 16.55 C ATOM 1536 C ASP A 159 -36.901 38.014 16.870 1.00 14.44 C ATOM 1537 O ASP A 159 -36.049 38.922 16.905 1.00 16.56 O ATOM 1538 CB ASP A 159 -38.768 38.251 18.517 1.00 19.19 C ATOM 1539 CG ASP A 159 -40.053 39.001 18.833 1.00 29.86 C ATOM 1540 OD1 ASP A 159 -40.651 39.596 17.915 1.00 28.17 O ATOM 1541 OD2 ASP A 159 -40.453 39.003 20.012 1.00 32.62 O ATOM 1542 H ASP A 159 -40.100 37.038 16.690 1.00 0.00 H ATOM 1543 N ALA A 160 -36.573 36.734 16.680 1.00 12.70 N ATOM 1544 CA ALA A 160 -35.166 36.351 16.532 1.00 15.38 C ATOM 1545 C ALA A 160 -34.541 36.759 15.204 1.00 17.80 C ATOM 1546 O ALA A 160 -33.317 36.685 15.071 1.00 21.27 O ATOM 1547 CB ALA A 160 -34.995 34.830 16.733 1.00 17.52 C ATOM 1548 H ALA A 160 -37.316 36.008 16.637 1.00 0.00 H ATOM 1549 N TYR A 161 -35.359 37.132 14.225 1.00 13.38 N ATOM 1550 CA TYR A 161 -34.901 37.442 12.861 1.00 14.84 C ATOM 1551 C TYR A 161 -35.036 38.922 12.509 1.00 26.09 C ATOM 1552 O TYR A 161 -34.364 39.401 11.605 1.00 22.34 O ATOM 1553 CB TYR A 161 -35.672 36.630 11.824 1.00 15.15 C ATOM 1554 CG TYR A 161 -35.248 35.176 11.796 1.00 13.04 C ATOM 1555 CD1 TYR A 161 -35.857 34.252 12.634 1.00 13.50 C ATOM 1556 CD2 TYR A 161 -34.206 34.752 10.968 1.00 11.28 C ATOM 1557 CE1 TYR A 161 -35.457 32.923 12.656 1.00 12.07 C ATOM 1558 CE2 TYR A 161 -33.796 33.440 10.978 1.00 11.12 C ATOM 1559 CZ TYR A 161 -34.435 32.521 11.840 1.00 10.48 C ATOM 1560 OH TYR A 161 -34.033 31.209 11.845 1.00 11.80 O ATOM 1561 HH TYR A 161 -34.156 30.824 10.941 1.00 0.00 H ATOM 1562 H TYR A 161 -36.375 37.209 14.434 1.00 0.00 H ATOM 1563 N LYS A 162 -35.921 39.629 13.192 1.00 23.03 N ATOM 1564 CA LYS A 162 -36.253 40.985 12.753 1.00 38.69 C ATOM 1565 C LYS A 162 -35.069 41.951 12.729 1.00 41.61 C ATOM 1566 O LYS A 162 -34.974 42.786 11.832 1.00 53.72 O ATOM 1567 CB LYS A 162 -37.442 41.544 13.531 1.00 33.91 C ATOM 1568 CG LYS A 162 -38.760 40.981 13.031 1.00 27.04 C ATOM 1569 H LYS A 162 -36.377 39.224 14.034 1.00 0.00 H ATOM 1570 N ASN A 163 -34.160 41.826 13.687 1.00 33.90 N ATOM 1571 CA ASN A 163 -32.940 42.619 13.659 1.00 42.71 C ATOM 1572 C ASN A 163 -32.024 42.279 12.472 1.00 50.17 C ATOM 1573 O ASN A 163 -31.181 43.084 12.071 1.00 40.27 O ATOM 1574 H ASN A 163 -34.321 41.155 14.465 1.00 0.00 H ATOM 1575 N LEU A 164 -32.192 41.087 11.909 1.00 40.00 N ATOM 1576 CA LEU A 164 -31.290 40.603 10.871 1.00 35.46 C ATOM 1577 C LEU A 164 -31.854 40.862 9.481 1.00 35.90 C ATOM 1578 O LEU A 164 -31.162 40.668 8.483 1.00 37.45 O ATOM 1579 CB LEU A 164 -31.015 39.107 11.058 1.00 22.48 C ATOM 1580 CG LEU A 164 -30.625 38.696 12.475 1.00 30.85 C ATOM 1581 CD1 LEU A 164 -30.263 37.216 12.548 1.00 23.99 C ATOM 1582 CD2 LEU A 164 -29.473 39.558 12.956 1.00 36.61 C ATOM 1583 H LEU A 164 -32.984 40.487 12.215 1.00 0.00 H TER 1584 LEU A 164 HETATM 1585 O HOH 1 -14.604 28.901 -14.846 1.00 40.42 O HETATM 1586 O HOH 2 -21.500 23.435 12.681 1.00 17.11 O HETATM 1587 O HOH 3 -41.931 31.493 26.494 1.00 28.44 O HETATM 1588 O HOH 4 -44.747 17.694 28.111 1.00 43.96 O HETATM 1589 O HOH 5 -26.414 16.986 -5.713 1.00 27.74 O HETATM 1590 O HOH 6 -52.686 17.948 12.988 1.00 25.32 O HETATM 1591 O HOH 7 -34.125 23.368 -12.639 1.00 19.04 O HETATM 1592 O HOH 8 -47.828 32.704 15.180 1.00 19.73 O HETATM 1593 O HOH 9 -31.939 37.682 -8.827 1.00 40.85 O HETATM 1594 O HOH 10 -28.105 19.145 -6.527 1.00 31.07 O HETATM 1595 O HOH 11 -17.998 22.540 -15.180 1.00 29.13 O HETATM 1596 O HOH 12 -45.211 31.247 23.667 1.00 19.35 O HETATM 1597 O HOH 13 -37.436 24.305 -11.758 1.00 22.59 O HETATM 1598 O HOH 14 -33.029 38.918 -5.837 1.00 44.73 O HETATM 1599 O HOH 15 -40.165 41.910 2.911 1.00 33.65 O HETATM 1600 O HOH 16 -36.975 13.140 20.809 1.00 28.30 O HETATM 1601 O HOH 17 -19.666 27.205 6.007 1.00 24.32 O HETATM 1602 O HOH 18 -25.357 22.744 24.974 1.00 39.31 O HETATM 1603 O HOH 19 -28.936 26.282 -17.403 1.00 32.07 O HETATM 1604 O HOH 20 -19.871 24.718 15.073 1.00 18.52 O HETATM 1605 O HOH 21 -34.279 32.641 -10.098 1.00 24.89 O HETATM 1606 O HOH 22 -29.819 22.557 -19.758 1.00 38.02 O HETATM 1607 O HOH 23 -41.416 39.914 4.680 1.00 27.08 O HETATM 1608 O HOH 24 -22.277 24.986 21.078 1.00 16.55 O HETATM 1609 O HOH 25 -46.778 36.166 14.849 1.00 19.68 O HETATM 1610 O HOH 26 -42.990 39.940 9.545 1.00 22.94 O HETATM 1611 O HOH 27 -31.312 14.610 23.680 1.00 26.28 O HETATM 1612 O HOH 28 -35.683 31.766 -4.388 1.00 18.55 O HETATM 1613 O HOH 29 -16.923 27.753 3.545 1.00 32.53 O HETATM 1614 O HOH 30 -17.305 20.833 10.309 1.00 17.88 O HETATM 1615 O HOH 31 -15.828 29.317 -1.805 1.00 30.27 O HETATM 1616 O HOH 32 -20.245 18.495 -16.360 1.00 36.79 O HETATM 1617 O HOH 33 -39.634 38.463 0.538 1.00 16.94 O HETATM 1618 O HOH 34 -18.830 18.714 11.526 1.00 26.02 O HETATM 1619 O HOH 35 -18.814 16.882 9.534 1.00 35.99 O HETATM 1620 O HOH 36 -54.468 22.801 9.650 1.00 45.32 O HETATM 1621 O HOH 37 -14.379 19.066 4.329 1.00 29.20 O HETATM 1622 O HOH 38 -45.553 36.305 9.745 1.00 26.07 O HETATM 1623 O HOH 39 -43.370 31.986 4.608 1.00 16.51 O HETATM 1624 O HOH 40 -52.498 20.981 17.932 1.00 22.56 O HETATM 1625 O HOH 41 -32.691 22.060 -6.248 1.00 18.18 O HETATM 1626 O HOH 42 -32.629 26.106 -14.883 1.00 29.15 O HETATM 1627 O HOH 43 -10.797 20.148 0.522 1.00 33.15 O HETATM 1628 O HOH 44 -45.379 35.093 21.909 1.00 27.18 O HETATM 1629 O HOH 45 -27.300 19.971 24.621 1.00 29.84 O HETATM 1630 O HOH 46 -31.738 24.548 -12.529 1.00 23.80 O HETATM 1631 O HOH 47 -23.514 12.767 -1.213 1.00 34.85 O HETATM 1632 O HOH 48 -31.978 21.308 -10.221 1.00 14.13 O HETATM 1633 O HOH 49 -29.870 18.231 -15.779 1.00 13.67 O HETATM 1634 O HOH 50 -16.762 25.179 6.298 1.00 20.62 O HETATM 1635 O HOH 51 -43.314 38.544 3.129 1.00 20.86 O HETATM 1636 O HOH 52 -31.642 36.058 -2.514 1.00 40.71 O HETATM 1637 O HOH 53 -42.518 27.499 31.067 1.00 37.96 O HETATM 1638 O HOH 54 -45.040 29.595 25.957 1.00 21.23 O HETATM 1639 O HOH 55 -36.723 8.725 17.301 1.00 34.01 O HETATM 1640 O HOH 56 -19.129 16.743 14.779 1.00 30.60 O HETATM 1641 O HOH 57 -15.193 26.649 1.697 1.00 35.92 O HETATM 1642 O HOH 58 -36.251 40.483 1.260 1.00 30.18 O HETATM 1643 O HOH 59 -43.465 38.671 14.454 1.00 17.30 O HETATM 1644 O HOH 60 -19.780 21.393 13.087 1.00 30.86 O HETATM 1645 O HOH 61 -25.317 28.782 14.063 1.00 16.14 O HETATM 1646 O HOH 62 -25.582 27.750 23.569 1.00 40.67 O HETATM 1647 O HOH 63 -53.649 22.799 16.330 1.00 17.35 O HETATM 1648 O HOH 64 -24.948 19.788 -17.427 1.00 22.88 O HETATM 1649 O HOH 65 -36.835 17.914 27.432 1.00 21.52 O HETATM 1650 O HOH 66 -27.026 17.190 13.599 1.00 35.72 O HETATM 1651 O HOH 67 -40.446 8.676 21.981 1.00 34.00 O HETATM 1652 O HOH 68 -53.815 25.553 6.701 1.00 36.89 O HETATM 1653 O HOH 69 -53.183 22.716 22.731 1.00 33.14 O HETATM 1654 O HOH 70 -54.336 26.464 9.181 1.00 37.28 O HETATM 1655 O HOH 71 -27.001 30.323 10.249 1.00 20.07 O HETATM 1656 O HOH 72 -26.478 26.602 9.599 1.00 28.62 O HETATM 1657 O HOH 73 -25.049 27.956 3.801 1.00 21.43 O HETATM 1658 O HOH 74 -24.288 30.809 1.497 1.00 22.75 O HETATM 1659 O HOH 75 -20.664 35.045 -3.888 1.00 24.52 O HETATM 1660 O HOH 76 -13.428 17.908 0.956 1.00 36.00 O HETATM 1661 O HOH 77 -16.196 17.728 1.701 1.00 26.04 O HETATM 1662 O HOH 78 -18.762 17.396 0.308 1.00 18.95 O HETATM 1663 O HOH 79 -23.592 26.004 6.211 1.00 28.50 O HETATM 1664 O HOH 80 -24.014 21.664 11.504 1.00 28.81 O HETATM 1665 O HOH 81 -24.946 22.161 2.772 1.00 17.97 O HETATM 1666 O HOH 82 -29.304 28.041 -3.760 1.00 12.06 O HETATM 1667 O HOH 83 -30.870 26.508 -2.034 1.00 12.38 O HETATM 1668 O HOH 84 -11.589 16.406 -6.852 1.00 36.07 O HETATM 1669 O HOH 85 -19.288 23.029 -11.938 1.00 17.34 O HETATM 1670 O HOH 86 -29.170 28.788 -16.059 1.00 27.30 O HETATM 1671 O HOH 87 -28.361 33.209 -14.892 1.00 30.49 O HETATM 1672 O HOH 88 -28.495 36.591 -11.905 1.00 25.16 O HETATM 1673 O HOH 89 -25.118 37.079 -10.442 1.00 26.55 O HETATM 1674 O HOH 90 -21.843 27.571 -18.983 1.00 27.35 O HETATM 1675 O HOH 91 -22.599 24.197 -20.876 1.00 34.95 O HETATM 1676 O HOH 92 -20.254 29.587 -14.647 1.00 22.56 O HETATM 1677 O HOH 93 -21.508 32.017 -13.909 1.00 31.69 O HETATM 1678 O HOH 94 -23.171 32.599 -16.314 1.00 40.36 O HETATM 1679 O HOH 95 -34.623 20.928 0.693 1.00 16.95 O HETATM 1680 O HOH 96 -39.144 16.445 -1.059 1.00 30.55 O HETATM 1681 O HOH 97 -45.589 15.846 -0.732 1.00 33.36 O HETATM 1682 O HOH 98 -44.091 8.595 6.280 1.00 31.36 O HETATM 1683 O HOH 99 -45.904 12.958 14.754 1.00 24.71 O HETATM 1684 O HOH 100 -49.192 22.750 17.249 1.00 15.39 O HETATM 1685 O HOH 101 -38.228 34.444 15.898 1.00 15.37 O HETATM 1686 O HOH 102 -32.914 24.696 11.334 1.00 11.54 O HETATM 1687 O HOH 103 -26.143 21.602 13.289 1.00 19.46 O HETATM 1688 O HOH 104 -35.147 19.178 2.963 1.00 20.22 O HETATM 1689 O HOH 105 -38.239 27.356 26.949 1.00 25.88 O HETATM 1690 O HOH 106 -38.754 19.820 27.734 1.00 20.68 O HETATM 1691 O HOH 107 -34.165 26.287 24.376 1.00 17.67 O HETATM 1692 O HOH 108 -32.422 22.562 26.972 1.00 19.58 O HETATM 1693 O HOH 109 -30.629 28.518 24.384 1.00 31.12 O HETATM 1694 O HOH 110 -29.206 33.314 17.938 1.00 17.99 O HETATM 1695 O HOH 111 -29.112 35.514 16.127 1.00 15.98 O HETATM 1696 O HOH 112 -33.740 30.234 21.811 1.00 18.47 O HETATM 1697 O HOH 113 -36.302 30.115 23.046 1.00 30.43 O HETATM 1698 O HOH 114 -31.477 36.734 17.022 1.00 23.61 O HETATM 1699 O HOH 115 -33.314 37.700 4.138 1.00 25.99 O HETATM 1700 O HOH 116 -29.951 37.843 -1.526 1.00 35.18 O HETATM 1701 O HOH 117 -23.924 35.490 2.613 1.00 19.94 O HETATM 1702 O HOH 118 -26.704 35.511 6.070 1.00 36.75 O HETATM 1703 O HOH 119 -25.822 26.573 7.247 1.00 41.46 O HETATM 1704 O HOH 120 -21.325 34.400 -10.625 1.00 31.85 O HETATM 1705 O HOH 121 -15.085 27.403 -4.997 1.00 31.83 O HETATM 1706 O HOH 122 -11.765 20.605 -9.532 1.00 40.95 O HETATM 1707 O HOH 123 -16.379 17.502 -12.495 1.00 36.22 O HETATM 1708 O HOH 124 -50.041 11.162 9.331 1.00 33.01 O HETATM 1709 O HOH 125 -15.832 27.679 -7.529 1.00 23.08 O HETATM 1710 O HOH 126 -30.776 26.944 -11.555 1.00 16.46 O HETATM 1711 O HOH 127 -25.533 25.195 4.215 1.00 34.17 O HETATM 1712 O HOH 128 -18.105 30.921 -1.995 1.00 36.18 O HETATM 1713 O HOH 129 -26.347 31.595 -16.418 1.00 30.14 O HETATM 1714 O HOH 130 -27.668 19.392 12.570 1.00 30.99 O HETATM 1715 O HOH 131 -33.979 13.345 4.502 1.00 35.84 O HETATM 1716 O HOH 132 -35.861 16.627 2.873 1.00 35.18 O HETATM 1717 O HOH 133 -32.335 13.864 6.926 1.00 33.76 O HETATM 1718 O HOH 134 -41.103 10.340 15.334 1.00 31.60 O HETATM 1719 O HOH 135 -44.139 12.479 18.338 1.00 19.99 O HETATM 1720 O HOH 136 -41.011 18.262 28.878 1.00 39.38 O HETATM 1721 O HOH 137 -33.378 34.175 20.497 1.00 31.18 O HETATM 1722 O HOH 138 -24.939 19.448 6.016 1.00 41.96 O HETATM 1723 O HOH 139 -16.896 15.551 2.920 1.00 36.75 O HETATM 1724 O HOH 140 -47.633 14.040 18.270 1.00 40.08 O HETATM 1725 O HOH 141 -43.185 40.366 19.001 1.00 41.96 O HETATM 1726 O HOH 142 -27.646 23.115 3.159 1.00 32.12 O HETATM 1727 O HOH 143 -27.844 21.629 5.456 1.00 24.88 O HETATM 1728 O HOH 144 -29.195 19.187 -2.352 1.00 25.27 O HETATM 1729 O HOH 145 -34.121 20.083 -4.003 1.00 41.79 O HETATM 1730 O HOH 146 -11.219 17.184 -4.198 1.00 40.13 O HETATM 1731 O HOH 147 -39.361 9.524 8.434 1.00 27.51 O HETATM 1732 O HOH 148 -25.969 21.837 9.327 1.00 21.67 O HETATM 1733 O HOH 149 -16.784 16.849 6.204 1.00 30.03 O HETATM 1734 O HOH 150 -41.871 9.854 3.767 1.00 33.20 O HETATM 1735 CAA UNN A 151 -38.811 19.281 15.792 1.00 -0.06 C HETATM 1736 CAG UNN A 151 -39.823 19.037 14.680 1.00 -0.05 C HETATM 1737 CAH UNN A 151 -40.238 20.354 14.015 1.00 -0.02 C HETATM 1738 CAI UNN A 151 -41.210 20.075 12.883 1.00 -0.04 C HETATM 1739 CAE UNN A 151 -40.693 19.727 11.649 1.00 -0.06 C HETATM 1740 CAC UNN A 151 -41.512 19.453 10.563 1.00 -0.07 C HETATM 1741 CAB UNN A 151 -42.890 19.515 10.733 1.00 -0.07 C HETATM 1742 CAD UNN A 151 -43.414 19.863 11.972 1.00 -0.07 C HETATM 1743 CAF UNN A 151 -42.594 20.150 13.060 1.00 -0.06 C HETATM 1744 H12 UNN A 151 -43.018 20.424 14.019 1.00 0.06 H HETATM 1745 H11 UNN A 151 -44.490 19.912 12.095 1.00 0.06 H HETATM 1746 H10 UNN A 151 -43.552 19.293 9.904 1.00 0.06 H HETATM 1747 H9 UNN A 151 -41.085 19.195 9.600 1.00 0.06 H HETATM 1748 H8 UNN A 151 -39.618 19.666 11.526 1.00 0.06 H HETATM 1749 H6 UNN A 151 -39.346 20.858 13.614 1.00 0.04 H HETATM 1750 H7 UNN A 151 -40.722 21.003 14.760 1.00 0.04 H HETATM 1751 H4 UNN A 151 -40.714 18.552 15.105 1.00 0.03 H HETATM 1752 H5 UNN A 151 -39.373 18.378 13.923 1.00 0.03 H HETATM 1753 H1 UNN A 151 -38.532 18.321 16.251 1.00 0.02 H HETATM 1754 H2 UNN A 151 -39.256 19.936 16.555 1.00 0.02 H HETATM 1755 H3 UNN A 151 -37.915 19.762 15.373 1.00 0.02 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1735 1736 1753 1754 1755 CONECT 1736 1735 1737 1751 1752 CONECT 1737 1736 1738 1749 1750 CONECT 1738 1737 1739 1743 CONECT 1739 1738 1740 1748 CONECT 1740 1739 1741 1747 CONECT 1741 1740 1742 1746 CONECT 1742 1741 1743 1745 CONECT 1743 1738 1742 1744 CONECT 1744 1743 CONECT 1745 1742 CONECT 1746 1741 CONECT 1747 1740 CONECT 1748 1739 CONECT 1749 1737 CONECT 1750 1737 CONECT 1751 1736 CONECT 1752 1736 CONECT 1753 1735 CONECT 1754 1735 CONECT 1755 1735 MASTER 0 0 0 0 0 0 0 0 1754 1 25 13 END
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Structure:
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164aa, >1L83_1|Chain... at 96%
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164aa, >1LGW_1|Chain... at 95%
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164aa, >1LI6_1|Chain... at 95%
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168aa, >3RUN_1|Chain... at 95%
4w52
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PDBbind
172aa, >4W52_1|Chain... at 94%
4w53
RCSB PDB
PDBbind
172aa, >4W53_1|Chain... at 94%
4w54
RCSB PDB
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172aa, >4W57_1|Chain... at 94%
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943aa, >6AJJ_1|Chain... at 100%
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943aa, >6AJI_1|Chain... at 100%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4w55
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
T4 Lysozyme L99A
Ligand Name
3H0
EC.Number
E.C.3.2.1.17
Resolution
1.64(Å)
Affinity (Kd/Ki/IC50)
Kd=18uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. 5039-5044
Ligand Properties
Formula
C
9
H
1
2
Molecular Weight
120.192
Exact Mass
120.094
No. of atoms
21
No. of bonds
21
Polar Surface Area
0
LOGP Value
3.26 (
Computed with XLOGP3
)
2.64 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 1
Canonical SMILES
CCCc1ccccc1
InChI String
InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
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):
P00720
Entrez Gene ID
NCBI Entrez Gene ID:
1258585
ASD
Information of known allosteric effects of PDB entries
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