Browse entries in the PDBbind-CN Database
HEADER 3AQA_COMPLEX COMPND 3AQA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 GLY ARG VAL THR ASN GLN LEU GLN TYR LEU HIS LYS VAL SEQRES 2 A 114 VAL MSE LYS ALA LEU TRP LYS HIS GLN PHE ALA TRP PRO SEQRES 3 A 114 PHE ARG GLN PRO VAL ASP ALA VAL LYS LEU GLY LEU PRO SEQRES 4 A 114 ASP TYR HIS LYS ILE ILE LYS GLN PRO MSE ASP MSE GLY SEQRES 5 A 114 THR ILE LYS ARG ARG LEU GLU ASN ASN TYR TYR TRP ALA SEQRES 6 A 114 ALA SER GLU CYS MSE GLN ASP PHE ASN THR MSE PHE THR SEQRES 7 A 114 ASN CYS TYR ILE TYR ASN LYS PRO THR ASP ASP ILE VAL SEQRES 8 A 114 LEU MSE ALA GLN THR LEU GLU LYS ILE PHE LEU GLN LYS SEQRES 9 A 114 VAL ALA SER MSE PRO GLN GLU GLU GLN GLU HET MSE A 87 17 HET MSE A 121 17 HET MSE A 123 17 HET MSE A 142 17 HET MSE A 148 17 HET MSE A 165 17 HET MSE A 180 17 HET BYH A 16 40 ATOM 1 N GLY A 73 22.184 12.515 11.243 1.00 64.59 N ATOM 2 CA GLY A 73 21.629 12.091 9.915 1.00 67.21 C ATOM 3 C GLY A 73 22.709 11.543 9.001 1.00 65.87 C ATOM 4 O GLY A 73 23.562 12.299 8.542 1.00 68.64 O ATOM 5 HA3 GLY A 73 21.164 12.952 9.435 1.00 0.00 H ATOM 6 HA2 GLY A 73 20.878 11.318 10.077 1.00 0.00 H ATOM 7 HN3 GLY A 73 22.897 13.258 11.098 1.00 0.00 H ATOM 8 HN2 GLY A 73 22.624 11.697 11.711 1.00 0.00 H ATOM 9 HN1 GLY A 73 21.414 12.883 11.837 1.00 0.00 H ATOM 10 N ARG A 74 22.674 10.244 8.715 1.00 64.28 N ATOM 11 CA ARG A 74 23.701 9.643 7.872 1.00 61.53 C ATOM 12 C ARG A 74 23.551 8.117 7.803 1.00 60.47 C ATOM 13 O ARG A 74 23.008 7.480 8.718 1.00 60.65 O ATOM 14 CB ARG A 74 25.071 9.993 8.465 1.00 62.12 C ATOM 15 CG ARG A 74 26.290 9.872 7.570 1.00 60.27 C ATOM 16 CD ARG A 74 27.523 9.962 8.466 1.00 59.19 C ATOM 17 NE ARG A 74 28.790 10.006 7.746 1.00 59.90 N ATOM 18 CZ ARG A 74 29.977 9.828 8.321 1.00 61.05 C ATOM 19 NH1 ARG A 74 30.059 9.586 9.622 1.00 59.25 N ATOM 20 NH2 ARG A 74 31.088 9.903 7.600 1.00 62.95 N ATOM 21 HA ARG A 74 23.600 10.033 6.859 1.00 0.00 H ATOM 22 HB2 ARG A 74 25.021 11.027 8.806 1.00 0.00 H ATOM 23 HB3 ARG A 74 25.231 9.336 9.320 1.00 0.00 H ATOM 24 HG2 ARG A 74 26.277 8.915 7.049 1.00 0.00 H ATOM 25 HG3 ARG A 74 26.299 10.682 6.840 1.00 0.00 H ATOM 26 HD2 ARG A 74 27.533 9.091 9.121 1.00 0.00 H ATOM 27 HD3 ARG A 74 27.441 10.867 9.068 1.00 0.00 H ATOM 28 HE ARG A 74 28.765 10.187 6.722 1.00 0.00 H ATOM 29 HH12 ARG A 74 30.988 9.447 10.068 1.00 0.00 H ATOM 30 HH11 ARG A 74 29.194 9.535 10.197 1.00 0.00 H ATOM 31 HH22 ARG A 74 32.013 9.763 8.054 1.00 0.00 H ATOM 32 HH21 ARG A 74 31.034 10.102 6.581 1.00 0.00 H ATOM 33 H ARG A 74 21.908 9.652 9.096 1.00 0.00 H ATOM 34 N VAL A 75 24.024 7.546 6.701 1.00 56.88 N ATOM 35 CA VAL A 75 24.019 6.104 6.485 1.00 53.58 C ATOM 36 C VAL A 75 25.472 5.741 6.191 1.00 53.00 C ATOM 37 O VAL A 75 26.109 6.360 5.332 1.00 53.70 O ATOM 38 CB VAL A 75 23.206 5.675 5.241 1.00 53.37 C ATOM 39 CG1 VAL A 75 23.364 4.180 5.037 1.00 51.80 C ATOM 40 CG2 VAL A 75 21.743 6.029 5.396 1.00 53.62 C ATOM 41 HA VAL A 75 23.578 5.618 7.355 1.00 0.00 H ATOM 42 HB VAL A 75 23.586 6.210 4.370 1.00 0.00 H ATOM 43 HG11 VAL A 75 24.418 3.944 4.887 1.00 0.00 H ATOM 44 HG12 VAL A 75 22.995 3.653 5.917 1.00 0.00 H ATOM 45 HG13 VAL A 75 22.793 3.872 4.161 1.00 0.00 H ATOM 46 HG21 VAL A 75 21.338 5.519 6.270 1.00 0.00 H ATOM 47 HG22 VAL A 75 21.643 7.107 5.523 1.00 0.00 H ATOM 48 HG23 VAL A 75 21.198 5.715 4.506 1.00 0.00 H ATOM 49 H VAL A 75 24.417 8.157 5.956 1.00 0.00 H ATOM 50 N THR A 76 26.007 4.759 6.906 1.00 49.52 N ATOM 51 CA THR A 76 27.377 4.326 6.666 1.00 43.70 C ATOM 52 C THR A 76 27.377 2.807 6.582 1.00 42.81 C ATOM 53 O THR A 76 26.370 2.167 6.899 1.00 41.27 O ATOM 54 CB THR A 76 28.309 4.749 7.811 1.00 45.50 C ATOM 55 OG1 THR A 76 28.025 3.962 8.977 1.00 43.08 O ATOM 56 CG2 THR A 76 28.119 6.234 8.126 1.00 40.32 C ATOM 57 HA THR A 76 27.736 4.785 5.745 1.00 0.00 H ATOM 58 HB THR A 76 29.343 4.586 7.507 1.00 0.00 H ATOM 59 HG1 THR A 76 28.627 4.236 9.714 1.00 0.00 H ATOM 60 HG23 THR A 76 28.337 6.824 7.236 1.00 0.00 H ATOM 61 HG21 THR A 76 27.089 6.409 8.437 1.00 0.00 H ATOM 62 HG22 THR A 76 28.796 6.523 8.929 1.00 0.00 H ATOM 63 H THR A 76 25.442 4.294 7.645 1.00 0.00 H ATOM 64 N ASN A 77 28.490 2.219 6.156 1.00 39.46 N ATOM 65 CA ASN A 77 28.552 0.771 6.084 1.00 39.07 C ATOM 66 C ASN A 77 28.461 0.145 7.497 1.00 37.90 C ATOM 67 O ASN A 77 27.903 -0.940 7.673 1.00 37.38 O ATOM 68 CB ASN A 77 29.831 0.314 5.379 1.00 38.39 C ATOM 69 CG ASN A 77 31.087 0.848 6.027 1.00 41.23 C ATOM 70 OD1 ASN A 77 32.160 0.296 5.821 1.00 45.45 O ATOM 71 ND2 ASN A 77 30.971 1.933 6.804 1.00 41.75 N ATOM 72 HA ASN A 77 27.698 0.428 5.500 1.00 0.00 H ATOM 73 HB2 ASN A 77 29.867 -0.775 5.397 1.00 0.00 H ATOM 74 HB3 ASN A 77 29.800 0.659 4.345 1.00 0.00 H ATOM 75 HD22 ASN A 77 30.039 2.370 6.951 1.00 0.00 H ATOM 76 HD21 ASN A 77 31.813 2.339 7.260 1.00 0.00 H ATOM 77 H ASN A 77 29.311 2.793 5.876 1.00 0.00 H ATOM 78 N GLN A 78 29.004 0.827 8.498 1.00 36.52 N ATOM 79 CA GLN A 78 28.945 0.304 9.854 1.00 39.45 C ATOM 80 C GLN A 78 27.511 0.362 10.390 1.00 39.33 C ATOM 81 O GLN A 78 26.995 -0.632 10.895 1.00 41.25 O ATOM 82 CB GLN A 78 29.885 1.087 10.768 1.00 40.62 C ATOM 83 CG GLN A 78 31.350 0.760 10.572 1.00 42.37 C ATOM 84 CD GLN A 78 32.243 1.458 11.568 1.00 42.12 C ATOM 85 OE1 GLN A 78 33.418 1.140 11.684 1.00 48.60 O ATOM 86 NE2 GLN A 78 31.695 2.414 12.289 1.00 42.94 N ATOM 87 HA GLN A 78 29.265 -0.738 9.836 1.00 0.00 H ATOM 88 HB2 GLN A 78 29.742 2.151 10.576 1.00 0.00 H ATOM 89 HB3 GLN A 78 29.620 0.867 11.802 1.00 0.00 H ATOM 90 HG2 GLN A 78 31.484 -0.317 10.678 1.00 0.00 H ATOM 91 HG3 GLN A 78 31.644 1.064 9.567 1.00 0.00 H ATOM 92 HE22 GLN A 78 30.691 2.653 12.159 1.00 0.00 H ATOM 93 HE21 GLN A 78 32.266 2.930 12.989 1.00 0.00 H ATOM 94 H GLN A 78 29.472 1.737 8.312 1.00 0.00 H ATOM 95 N LEU A 79 26.865 1.516 10.271 1.00 37.89 N ATOM 96 CA LEU A 79 25.497 1.647 10.745 1.00 37.29 C ATOM 97 C LEU A 79 24.573 0.619 10.080 1.00 38.57 C ATOM 98 O LEU A 79 23.638 0.102 10.710 1.00 39.96 O ATOM 99 CB LEU A 79 24.985 3.075 10.509 1.00 35.68 C ATOM 100 CG LEU A 79 25.514 4.123 11.507 1.00 32.61 C ATOM 101 CD1 LEU A 79 24.984 5.514 11.203 1.00 26.96 C ATOM 102 CD2 LEU A 79 25.068 3.720 12.906 1.00 33.99 C ATOM 103 HA LEU A 79 25.491 1.448 11.817 1.00 0.00 H ATOM 104 HB2 LEU A 79 25.282 3.381 9.506 1.00 0.00 H ATOM 105 HB3 LEU A 79 23.897 3.061 10.576 1.00 0.00 H ATOM 106 HG LEU A 79 26.601 4.155 11.429 1.00 0.00 H ATOM 107 HD21 LEU A 79 23.979 3.685 12.943 1.00 0.00 H ATOM 108 HD22 LEU A 79 25.473 2.737 13.146 1.00 0.00 H ATOM 109 HD23 LEU A 79 25.434 4.451 13.627 1.00 0.00 H ATOM 110 HD11 LEU A 79 25.295 5.809 10.201 1.00 0.00 H ATOM 111 HD12 LEU A 79 23.895 5.507 11.260 1.00 0.00 H ATOM 112 HD13 LEU A 79 25.383 6.220 11.931 1.00 0.00 H ATOM 113 H LEU A 79 27.341 2.332 9.836 1.00 0.00 H ATOM 114 N GLN A 80 24.851 0.306 8.816 1.00 36.69 N ATOM 115 CA GLN A 80 24.045 -0.656 8.083 1.00 35.81 C ATOM 116 C GLN A 80 24.307 -2.045 8.665 1.00 34.64 C ATOM 117 O GLN A 80 23.391 -2.854 8.807 1.00 29.35 O ATOM 118 CB GLN A 80 24.414 -0.629 6.604 1.00 41.80 C ATOM 119 CG GLN A 80 23.499 -1.438 5.699 1.00 46.76 C ATOM 120 CD GLN A 80 23.891 -1.316 4.226 1.00 55.85 C ATOM 121 OE1 GLN A 80 24.938 -1.823 3.800 1.00 58.32 O ATOM 122 NE2 GLN A 80 23.058 -0.630 3.445 1.00 55.69 N ATOM 123 HA GLN A 80 22.988 -0.406 8.176 1.00 0.00 H ATOM 124 HB2 GLN A 80 24.392 0.408 6.268 1.00 0.00 H ATOM 125 HB3 GLN A 80 25.426 -1.021 6.500 1.00 0.00 H ATOM 126 HG2 GLN A 80 23.553 -2.487 5.991 1.00 0.00 H ATOM 127 HG3 GLN A 80 22.477 -1.080 5.822 1.00 0.00 H ATOM 128 HE22 GLN A 80 22.189 -0.221 3.844 1.00 0.00 H ATOM 129 HE21 GLN A 80 23.276 -0.504 2.436 1.00 0.00 H ATOM 130 H GLN A 80 25.660 0.758 8.344 1.00 0.00 H ATOM 131 N TYR A 81 25.567 -2.315 8.996 1.00 33.32 N ATOM 132 CA TYR A 81 25.929 -3.596 9.594 1.00 33.17 C ATOM 133 C TYR A 81 25.257 -3.733 10.983 1.00 30.31 C ATOM 134 O TYR A 81 24.790 -4.807 11.352 1.00 31.52 O ATOM 135 CB TYR A 81 27.450 -3.681 9.717 1.00 34.00 C ATOM 136 CG TYR A 81 27.946 -4.906 10.442 1.00 37.48 C ATOM 137 CD1 TYR A 81 28.130 -6.125 9.775 1.00 35.17 C ATOM 138 CD2 TYR A 81 28.251 -4.846 11.807 1.00 33.44 C ATOM 139 CE1 TYR A 81 28.618 -7.246 10.462 1.00 35.52 C ATOM 140 CE2 TYR A 81 28.727 -5.951 12.490 1.00 30.62 C ATOM 141 CZ TYR A 81 28.919 -7.143 11.826 1.00 34.07 C ATOM 142 OH TYR A 81 29.468 -8.203 12.526 1.00 34.59 O ATOM 143 HA TYR A 81 25.580 -4.413 8.962 1.00 0.00 H ATOM 144 HB3 TYR A 81 27.799 -2.800 10.256 1.00 0.00 H ATOM 145 HB2 TYR A 81 27.874 -3.683 8.713 1.00 0.00 H ATOM 146 HD2 TYR A 81 28.110 -3.908 12.344 1.00 0.00 H ATOM 147 HE2 TYR A 81 28.950 -5.879 13.554 1.00 0.00 H ATOM 148 HE1 TYR A 81 28.762 -8.191 9.938 1.00 0.00 H ATOM 149 HD1 TYR A 81 27.892 -6.202 8.714 1.00 0.00 H ATOM 150 HH TYR A 81 30.365 -7.948 12.858 1.00 0.00 H ATOM 151 H TYR A 81 26.305 -1.602 8.826 1.00 0.00 H ATOM 152 N LEU A 82 25.200 -2.642 11.741 1.00 27.89 N ATOM 153 CA LEU A 82 24.563 -2.675 13.059 1.00 31.66 C ATOM 154 C LEU A 82 23.054 -2.908 12.946 1.00 32.89 C ATOM 155 O LEU A 82 22.454 -3.603 13.772 1.00 31.22 O ATOM 156 CB LEU A 82 24.815 -1.364 13.829 1.00 27.24 C ATOM 157 CG LEU A 82 26.243 -1.156 14.346 1.00 30.98 C ATOM 158 CD1 LEU A 82 26.367 0.164 15.049 1.00 30.50 C ATOM 159 CD2 LEU A 82 26.604 -2.264 15.292 1.00 29.47 C ATOM 160 HA LEU A 82 25.009 -3.506 13.606 1.00 0.00 H ATOM 161 HB2 LEU A 82 24.576 -0.534 13.164 1.00 0.00 H ATOM 162 HB3 LEU A 82 24.143 -1.346 14.687 1.00 0.00 H ATOM 163 HG LEU A 82 26.923 -1.162 13.494 1.00 0.00 H ATOM 164 HD21 LEU A 82 25.910 -2.262 16.133 1.00 0.00 H ATOM 165 HD22 LEU A 82 26.543 -3.219 14.771 1.00 0.00 H ATOM 166 HD23 LEU A 82 27.620 -2.112 15.657 1.00 0.00 H ATOM 167 HD11 LEU A 82 26.123 0.968 14.355 1.00 0.00 H ATOM 168 HD12 LEU A 82 25.679 0.190 15.894 1.00 0.00 H ATOM 169 HD13 LEU A 82 27.389 0.289 15.407 1.00 0.00 H ATOM 170 H LEU A 82 25.613 -1.753 11.393 1.00 0.00 H ATOM 171 N HIS A 83 22.446 -2.326 11.917 1.00 34.25 N ATOM 172 CA HIS A 83 21.017 -2.467 11.717 1.00 36.87 C ATOM 173 C HIS A 83 20.609 -3.825 11.132 1.00 37.11 C ATOM 174 O HIS A 83 19.841 -4.556 11.748 1.00 36.02 O ATOM 175 CB HIS A 83 20.516 -1.312 10.827 1.00 35.95 C ATOM 176 CG HIS A 83 19.059 -1.383 10.474 1.00 40.18 C ATOM 177 ND1 HIS A 83 18.144 -2.123 11.192 1.00 41.39 N ATOM 178 CD2 HIS A 83 18.347 -0.740 9.517 1.00 42.49 C ATOM 179 CE1 HIS A 83 16.934 -1.930 10.696 1.00 44.45 C ATOM 180 NE2 HIS A 83 17.030 -1.093 9.680 1.00 42.48 N ATOM 181 HA HIS A 83 20.545 -2.420 12.698 1.00 0.00 H ATOM 182 HB2 HIS A 83 20.693 -0.375 11.354 1.00 0.00 H ATOM 183 HB3 HIS A 83 21.091 -1.321 9.901 1.00 0.00 H ATOM 184 HD2 HIS A 83 18.746 -0.067 8.758 1.00 0.00 H ATOM 185 HE1 HIS A 83 16.014 -2.385 11.063 1.00 0.00 H ATOM 186 H HIS A 83 23.004 -1.761 11.245 1.00 0.00 H ATOM 187 N LYS A 84 21.139 -4.157 9.959 1.00 38.25 N ATOM 188 CA LYS A 84 20.791 -5.392 9.260 1.00 41.86 C ATOM 189 C LYS A 84 21.435 -6.687 9.734 1.00 43.51 C ATOM 190 O LYS A 84 20.841 -7.753 9.572 1.00 44.04 O ATOM 191 CB LYS A 84 21.033 -5.219 7.759 1.00 42.13 C ATOM 192 CG LYS A 84 19.834 -4.659 6.987 1.00 44.62 C ATOM 193 CD LYS A 84 19.184 -3.464 7.680 1.00 47.74 C ATOM 194 CE LYS A 84 18.267 -2.689 6.724 1.00 50.85 C ATOM 195 NZ LYS A 84 17.193 -3.518 6.090 1.00 49.65 N ATOM 196 HA LYS A 84 19.738 -5.530 9.506 1.00 0.00 H ATOM 197 HB2 LYS A 84 21.874 -4.538 7.625 1.00 0.00 H ATOM 198 HB3 LYS A 84 21.285 -6.193 7.339 1.00 0.00 H ATOM 199 HG2 LYS A 84 20.172 -4.346 5.999 1.00 0.00 H ATOM 200 HG3 LYS A 84 19.089 -5.448 6.882 1.00 0.00 H ATOM 201 HD2 LYS A 84 18.595 -3.821 8.524 1.00 0.00 H ATOM 202 HD3 LYS A 84 19.966 -2.796 8.041 1.00 0.00 H ATOM 203 HE2 LYS A 84 18.882 -2.263 5.931 1.00 0.00 H ATOM 204 HE3 LYS A 84 17.791 -1.885 7.285 1.00 0.00 H ATOM 205 HZ1 LYS A 84 17.629 -4.285 5.539 1.00 0.00 H ATOM 206 HZ2 LYS A 84 16.587 -3.923 6.831 1.00 0.00 H ATOM 207 HZ3 LYS A 84 16.621 -2.919 5.461 1.00 0.00 H ATOM 208 H LYS A 84 21.828 -3.513 9.522 1.00 0.00 H ATOM 209 N VAL A 85 22.636 -6.612 10.304 1.00 43.26 N ATOM 210 CA VAL A 85 23.290 -7.815 10.817 1.00 41.73 C ATOM 211 C VAL A 85 23.092 -7.959 12.345 1.00 40.34 C ATOM 212 O VAL A 85 22.303 -8.792 12.786 1.00 42.17 O ATOM 213 CB VAL A 85 24.805 -7.834 10.466 1.00 41.84 C ATOM 214 CG1 VAL A 85 25.478 -9.036 11.102 1.00 39.41 C ATOM 215 CG2 VAL A 85 24.984 -7.907 8.951 1.00 43.18 C ATOM 216 HA VAL A 85 22.816 -8.667 10.329 1.00 0.00 H ATOM 217 HB VAL A 85 25.261 -6.921 10.849 1.00 0.00 H ATOM 218 HG11 VAL A 85 25.364 -8.984 12.185 1.00 0.00 H ATOM 219 HG12 VAL A 85 25.014 -9.950 10.730 1.00 0.00 H ATOM 220 HG13 VAL A 85 26.538 -9.035 10.847 1.00 0.00 H ATOM 221 HG21 VAL A 85 24.515 -8.816 8.574 1.00 0.00 H ATOM 222 HG22 VAL A 85 24.517 -7.037 8.489 1.00 0.00 H ATOM 223 HG23 VAL A 85 26.047 -7.920 8.712 1.00 0.00 H ATOM 224 H VAL A 85 23.112 -5.691 10.385 1.00 0.00 H ATOM 225 N VAL A 86 23.783 -7.139 13.137 1.00 38.79 N ATOM 226 CA VAL A 86 23.692 -7.180 14.607 1.00 36.39 C ATOM 227 C VAL A 86 22.276 -7.094 15.215 1.00 34.21 C ATOM 228 O VAL A 86 21.842 -8.003 15.927 1.00 33.65 O ATOM 229 CB VAL A 86 24.526 -6.034 15.260 1.00 38.30 C ATOM 230 CG1 VAL A 86 24.532 -6.196 16.774 1.00 34.33 C ATOM 231 CG2 VAL A 86 25.944 -6.023 14.706 1.00 37.71 C ATOM 232 HA VAL A 86 24.082 -8.173 14.832 1.00 0.00 H ATOM 233 HB VAL A 86 24.065 -5.077 15.017 1.00 0.00 H ATOM 234 HG11 VAL A 86 23.509 -6.154 17.147 1.00 0.00 H ATOM 235 HG12 VAL A 86 24.976 -7.157 17.034 1.00 0.00 H ATOM 236 HG13 VAL A 86 25.116 -5.392 17.222 1.00 0.00 H ATOM 237 HG21 VAL A 86 26.424 -6.978 14.921 1.00 0.00 H ATOM 238 HG22 VAL A 86 25.910 -5.867 13.628 1.00 0.00 H ATOM 239 HG23 VAL A 86 26.509 -5.217 15.174 1.00 0.00 H ATOM 240 H VAL A 86 24.414 -6.439 12.698 1.00 0.00 H HETATM 241 N MSE A 87 21.566 -6.000 14.955 1.00 33.52 N HETATM 242 CA MSE A 87 20.221 -5.827 15.521 1.00 33.45 C HETATM 243 C MSE A 87 19.227 -6.868 15.039 1.00 33.28 C HETATM 244 O MSE A 87 18.306 -7.233 15.773 1.00 31.25 O HETATM 245 CB MSE A 87 19.651 -4.440 15.212 1.00 30.44 C HETATM 246 CG MSE A 87 18.228 -4.229 15.760 1.00 33.42 C HETATM 247 SE MSE A 87 18.113 -4.370 17.727 1.00 30.37 S HETATM 248 CE MSE A 87 18.679 -2.559 18.097 1.00 33.71 C HETATM 249 HE3 MSE A 87 18.693 -2.397 19.175 1.00 0.00 H HETATM 250 HE2 MSE A 87 17.984 -1.860 17.632 1.00 0.00 H HETATM 251 HE1 MSE A 87 19.679 -2.402 17.692 1.00 0.00 H HETATM 252 HG2 MSE A 87 17.888 -3.237 15.464 1.00 0.00 H HETATM 253 HG1 MSE A 87 17.574 -4.982 15.321 1.00 0.00 H HETATM 254 HB2 MSE A 87 19.628 -4.308 14.130 1.00 0.00 H HETATM 255 HB1 MSE A 87 20.307 -3.690 15.654 1.00 0.00 H HETATM 256 HA MSE A 87 20.354 -5.949 16.596 1.00 0.00 H HETATM 257 H MSE A 87 21.967 -5.259 14.345 1.00 0.00 H ATOM 258 N LYS A 88 19.401 -7.326 13.803 1.00 33.09 N ATOM 259 CA LYS A 88 18.499 -8.329 13.230 1.00 34.62 C ATOM 260 C LYS A 88 18.562 -9.620 14.051 1.00 33.04 C ATOM 261 O LYS A 88 17.538 -10.234 14.362 1.00 34.56 O ATOM 262 CB LYS A 88 18.913 -8.624 11.790 1.00 38.09 C ATOM 263 CG LYS A 88 17.781 -8.629 10.797 1.00 42.43 C ATOM 264 CD LYS A 88 16.892 -9.823 10.968 1.00 44.47 C ATOM 265 CE LYS A 88 15.935 -9.922 9.799 1.00 50.42 C ATOM 266 NZ LYS A 88 16.653 -9.764 8.492 1.00 53.96 N ATOM 267 HA LYS A 88 17.480 -7.942 13.247 1.00 0.00 H ATOM 268 HB2 LYS A 88 19.632 -7.865 11.481 1.00 0.00 H ATOM 269 HB3 LYS A 88 19.389 -9.604 11.768 1.00 0.00 H ATOM 270 HG2 LYS A 88 17.188 -7.725 10.934 1.00 0.00 H ATOM 271 HG3 LYS A 88 18.196 -8.640 9.789 1.00 0.00 H ATOM 272 HD2 LYS A 88 17.502 -10.725 11.014 1.00 0.00 H ATOM 273 HD3 LYS A 88 16.324 -9.722 11.893 1.00 0.00 H ATOM 274 HE2 LYS A 88 15.183 -9.138 9.888 1.00 0.00 H ATOM 275 HE3 LYS A 88 15.447 -10.896 9.821 1.00 0.00 H ATOM 276 HZ1 LYS A 88 17.117 -8.834 8.463 1.00 0.00 H ATOM 277 HZ2 LYS A 88 17.369 -10.513 8.398 1.00 0.00 H ATOM 278 HZ3 LYS A 88 15.970 -9.837 7.711 1.00 0.00 H ATOM 279 H LYS A 88 20.192 -6.966 13.232 1.00 0.00 H ATOM 280 N ALA A 89 19.778 -10.013 14.406 1.00 31.56 N ATOM 281 CA ALA A 89 20.000 -11.222 15.176 1.00 32.86 C ATOM 282 C ALA A 89 19.548 -11.062 16.627 1.00 33.33 C ATOM 283 O ALA A 89 18.932 -11.964 17.193 1.00 36.01 O ATOM 284 CB ALA A 89 21.482 -11.606 15.130 1.00 32.92 C ATOM 285 HA ALA A 89 19.402 -12.015 14.728 1.00 0.00 H ATOM 286 HB1 ALA A 89 21.779 -11.779 14.096 1.00 0.00 H ATOM 287 HB2 ALA A 89 22.079 -10.797 15.551 1.00 0.00 H ATOM 288 HB3 ALA A 89 21.639 -12.515 15.711 1.00 0.00 H ATOM 289 H ALA A 89 20.597 -9.437 14.124 1.00 0.00 H ATOM 290 N LEU A 90 19.857 -9.925 17.235 1.00 31.66 N ATOM 291 CA LEU A 90 19.468 -9.699 18.618 1.00 28.87 C ATOM 292 C LEU A 90 17.958 -9.654 18.810 1.00 31.29 C ATOM 293 O LEU A 90 17.418 -10.175 19.804 1.00 27.57 O ATOM 294 CB LEU A 90 20.062 -8.392 19.113 1.00 29.43 C ATOM 295 CG LEU A 90 21.584 -8.345 19.200 1.00 33.58 C ATOM 296 CD1 LEU A 90 22.008 -6.997 19.731 1.00 32.96 C ATOM 297 CD2 LEU A 90 22.085 -9.448 20.118 1.00 28.12 C ATOM 298 HA LEU A 90 19.851 -10.543 19.191 1.00 0.00 H ATOM 299 HB2 LEU A 90 19.741 -7.601 18.436 1.00 0.00 H ATOM 300 HB3 LEU A 90 19.664 -8.199 20.109 1.00 0.00 H ATOM 301 HG LEU A 90 22.011 -8.496 18.209 1.00 0.00 H ATOM 302 HD21 LEU A 90 21.663 -9.310 21.114 1.00 0.00 H ATOM 303 HD22 LEU A 90 21.777 -10.416 19.723 1.00 0.00 H ATOM 304 HD23 LEU A 90 23.173 -9.406 20.174 1.00 0.00 H ATOM 305 HD11 LEU A 90 21.655 -6.215 19.058 1.00 0.00 H ATOM 306 HD12 LEU A 90 21.579 -6.847 20.722 1.00 0.00 H ATOM 307 HD13 LEU A 90 23.095 -6.959 19.795 1.00 0.00 H ATOM 308 H LEU A 90 20.381 -9.190 16.719 1.00 0.00 H ATOM 309 N TRP A 91 17.288 -9.020 17.845 1.00 31.64 N ATOM 310 CA TRP A 91 15.844 -8.805 17.859 1.00 28.88 C ATOM 311 C TRP A 91 14.972 -10.052 17.961 1.00 28.89 C ATOM 312 O TRP A 91 13.982 -10.059 18.705 1.00 32.23 O ATOM 313 CB TRP A 91 15.442 -7.984 16.620 1.00 30.29 C ATOM 314 CG TRP A 91 14.022 -7.505 16.655 1.00 28.73 C ATOM 315 CD1 TRP A 91 12.907 -8.230 16.356 1.00 28.83 C ATOM 316 CD2 TRP A 91 13.558 -6.244 17.150 1.00 31.77 C ATOM 317 NE1 TRP A 91 11.779 -7.508 16.652 1.00 29.20 N ATOM 318 CE2 TRP A 91 12.147 -6.283 17.137 1.00 28.57 C ATOM 319 CE3 TRP A 91 14.199 -5.082 17.608 1.00 33.15 C ATOM 320 CZ2 TRP A 91 11.361 -5.209 17.567 1.00 29.83 C ATOM 321 CZ3 TRP A 91 13.413 -4.008 18.038 1.00 33.11 C ATOM 322 CH2 TRP A 91 12.009 -4.081 18.012 1.00 30.52 C ATOM 323 HA TRP A 91 15.650 -8.269 18.788 1.00 0.00 H ATOM 324 HB2 TRP A 91 16.098 -7.116 16.553 1.00 0.00 H ATOM 325 HB3 TRP A 91 15.575 -8.607 15.735 1.00 0.00 H ATOM 326 HE1 TRP A 91 10.801 -7.839 16.528 1.00 0.00 H ATOM 327 HD1 TRP A 91 12.911 -9.238 15.941 1.00 0.00 H ATOM 328 HZ2 TRP A 91 10.273 -5.264 17.550 1.00 0.00 H ATOM 329 HH2 TRP A 91 11.423 -3.227 18.351 1.00 0.00 H ATOM 330 HZ3 TRP A 91 13.896 -3.100 18.399 1.00 0.00 H ATOM 331 HE3 TRP A 91 15.287 -5.018 17.628 1.00 0.00 H ATOM 332 H TRP A 91 17.828 -8.657 17.034 1.00 0.00 H ATOM 333 N LYS A 92 15.313 -11.103 17.224 1.00 30.00 N ATOM 334 CA LYS A 92 14.502 -12.326 17.266 1.00 31.63 C ATOM 335 C LYS A 92 15.010 -13.378 18.236 1.00 30.41 C ATOM 336 O LYS A 92 14.398 -14.453 18.405 1.00 33.11 O ATOM 337 CB LYS A 92 14.363 -12.930 15.872 1.00 33.89 C ATOM 338 CG LYS A 92 15.646 -13.092 15.112 1.00 40.79 C ATOM 339 CD LYS A 92 15.355 -13.316 13.613 1.00 48.27 C ATOM 340 CE LYS A 92 14.505 -12.178 12.969 1.00 51.87 C ATOM 341 NZ LYS A 92 13.047 -12.128 13.380 1.00 49.35 N ATOM 342 HA LYS A 92 13.527 -12.013 17.638 1.00 0.00 H ATOM 343 HB2 LYS A 92 13.906 -13.914 15.975 1.00 0.00 H ATOM 344 HB3 LYS A 92 13.705 -12.285 15.289 1.00 0.00 H ATOM 345 HG2 LYS A 92 16.251 -12.193 15.231 1.00 0.00 H ATOM 346 HG3 LYS A 92 16.191 -13.950 15.505 1.00 0.00 H ATOM 347 HD2 LYS A 92 16.305 -13.380 13.082 1.00 0.00 H ATOM 348 HD3 LYS A 92 14.814 -14.256 13.503 1.00 0.00 H ATOM 349 HE2 LYS A 92 14.543 -12.304 11.887 1.00 0.00 H ATOM 350 HE3 LYS A 92 14.961 -11.226 13.239 1.00 0.00 H ATOM 351 HZ1 LYS A 92 12.583 -13.021 13.118 1.00 0.00 H ATOM 352 HZ2 LYS A 92 12.983 -11.992 14.409 1.00 0.00 H ATOM 353 HZ3 LYS A 92 12.578 -11.337 12.894 1.00 0.00 H ATOM 354 H LYS A 92 16.156 -11.060 16.616 1.00 0.00 H ATOM 355 N HIS A 93 16.112 -13.053 18.897 1.00 27.54 N ATOM 356 CA HIS A 93 16.710 -13.949 19.874 1.00 26.83 C ATOM 357 C HIS A 93 15.641 -14.310 20.902 1.00 25.60 C ATOM 358 O HIS A 93 14.765 -13.503 21.210 1.00 26.44 O ATOM 359 CB HIS A 93 17.916 -13.271 20.538 1.00 21.22 C ATOM 360 CG HIS A 93 18.715 -14.189 21.403 1.00 22.15 C ATOM 361 ND1 HIS A 93 18.281 -14.603 22.645 1.00 22.62 N ATOM 362 CD2 HIS A 93 19.877 -14.844 21.170 1.00 18.75 C ATOM 363 CE1 HIS A 93 19.142 -15.479 23.135 1.00 23.17 C ATOM 364 NE2 HIS A 93 20.117 -15.644 22.259 1.00 16.39 N ATOM 365 HA HIS A 93 17.071 -14.858 19.393 1.00 0.00 H ATOM 366 HB2 HIS A 93 18.567 -12.881 19.755 1.00 0.00 H ATOM 367 HB3 HIS A 93 17.554 -12.447 21.152 1.00 0.00 H ATOM 368 HD2 HIS A 93 20.504 -14.753 20.283 1.00 0.00 H ATOM 369 HE1 HIS A 93 19.061 -15.981 24.099 1.00 0.00 H ATOM 370 H HIS A 93 16.561 -12.133 18.712 1.00 0.00 H ATOM 371 N GLN A 94 15.697 -15.528 21.430 1.00 26.08 N ATOM 372 CA GLN A 94 14.687 -15.938 22.388 1.00 25.17 C ATOM 373 C GLN A 94 14.633 -15.130 23.675 1.00 26.01 C ATOM 374 O GLN A 94 13.620 -15.161 24.363 1.00 28.45 O ATOM 375 CB GLN A 94 14.839 -17.415 22.719 1.00 26.18 C ATOM 376 CG GLN A 94 16.074 -17.753 23.475 1.00 26.71 C ATOM 377 CD GLN A 94 16.185 -19.241 23.733 1.00 29.54 C ATOM 378 OE1 GLN A 94 17.282 -19.798 23.711 1.00 33.42 O ATOM 379 NE2 GLN A 94 15.053 -19.892 23.992 1.00 26.07 N ATOM 380 HA GLN A 94 13.740 -15.742 21.885 1.00 0.00 H ATOM 381 HB2 GLN A 94 13.980 -17.721 23.316 1.00 0.00 H ATOM 382 HB3 GLN A 94 14.848 -17.975 21.784 1.00 0.00 H ATOM 383 HG2 GLN A 94 16.941 -17.429 22.899 1.00 0.00 H ATOM 384 HG3 GLN A 94 16.058 -17.229 24.431 1.00 0.00 H ATOM 385 HE22 GLN A 94 14.148 -19.379 24.000 1.00 0.00 H ATOM 386 HE21 GLN A 94 15.073 -20.913 24.187 1.00 0.00 H ATOM 387 H GLN A 94 16.459 -16.182 21.159 1.00 0.00 H ATOM 388 N PHE A 95 15.702 -14.423 24.032 1.00 25.04 N ATOM 389 CA PHE A 95 15.633 -13.616 25.247 1.00 24.12 C ATOM 390 C PHE A 95 15.419 -12.143 24.920 1.00 24.12 C ATOM 391 O PHE A 95 15.475 -11.304 25.812 1.00 25.15 O ATOM 392 CB PHE A 95 16.911 -13.708 26.102 1.00 23.90 C ATOM 393 CG PHE A 95 17.235 -15.081 26.597 1.00 21.20 C ATOM 394 CD1 PHE A 95 16.246 -16.026 26.790 1.00 26.36 C ATOM 395 CD2 PHE A 95 18.543 -15.408 26.931 1.00 25.41 C ATOM 396 CE1 PHE A 95 16.555 -17.280 27.313 1.00 25.17 C ATOM 397 CE2 PHE A 95 18.858 -16.653 27.454 1.00 23.49 C ATOM 398 CZ PHE A 95 17.852 -17.588 27.643 1.00 24.71 C ATOM 399 HA PHE A 95 14.791 -14.021 25.809 1.00 0.00 H ATOM 400 HB2 PHE A 95 17.749 -13.358 25.499 1.00 0.00 H ATOM 401 HB3 PHE A 95 16.789 -13.055 26.966 1.00 0.00 H ATOM 402 HD2 PHE A 95 19.335 -14.674 26.780 1.00 0.00 H ATOM 403 HE2 PHE A 95 19.888 -16.895 27.714 1.00 0.00 H ATOM 404 HZ PHE A 95 18.091 -18.569 28.054 1.00 0.00 H ATOM 405 HE1 PHE A 95 15.766 -18.018 27.460 1.00 0.00 H ATOM 406 HD1 PHE A 95 15.214 -15.788 26.531 1.00 0.00 H ATOM 407 H PHE A 95 16.569 -14.445 23.458 1.00 0.00 H ATOM 408 N ALA A 96 15.168 -11.805 23.661 1.00 24.65 N ATOM 409 CA ALA A 96 14.993 -10.387 23.306 1.00 23.95 C ATOM 410 C ALA A 96 13.699 -9.696 23.716 1.00 25.55 C ATOM 411 O ALA A 96 13.695 -8.481 23.973 1.00 27.95 O ATOM 412 CB ALA A 96 15.185 -10.204 21.806 1.00 21.90 C ATOM 413 HA ALA A 96 15.758 -9.894 23.906 1.00 0.00 H ATOM 414 HB1 ALA A 96 16.189 -10.525 21.528 1.00 0.00 H ATOM 415 HB2 ALA A 96 14.449 -10.804 21.271 1.00 0.00 H ATOM 416 HB3 ALA A 96 15.054 -9.153 21.550 1.00 0.00 H ATOM 417 H ALA A 96 15.095 -12.539 22.928 1.00 0.00 H ATOM 418 N TRP A 97 12.601 -10.442 23.773 1.00 23.62 N ATOM 419 CA TRP A 97 11.318 -9.833 24.077 1.00 24.72 C ATOM 420 C TRP A 97 11.213 -8.762 25.165 1.00 26.04 C ATOM 421 O TRP A 97 10.482 -7.797 24.991 1.00 25.20 O ATOM 422 CB TRP A 97 10.242 -10.898 24.303 1.00 22.80 C ATOM 423 CG TRP A 97 10.407 -11.761 25.489 1.00 24.58 C ATOM 424 CD1 TRP A 97 11.104 -12.945 25.563 1.00 20.55 C ATOM 425 CD2 TRP A 97 9.795 -11.574 26.763 1.00 20.01 C ATOM 426 NE1 TRP A 97 10.947 -13.499 26.801 1.00 15.66 N ATOM 427 CE2 TRP A 97 10.155 -12.679 27.562 1.00 20.88 C ATOM 428 CE3 TRP A 97 8.976 -10.576 27.309 1.00 24.98 C ATOM 429 CZ2 TRP A 97 9.719 -12.822 28.883 1.00 24.08 C ATOM 430 CZ3 TRP A 97 8.539 -10.711 28.617 1.00 30.28 C ATOM 431 CH2 TRP A 97 8.916 -11.830 29.393 1.00 30.67 C ATOM 432 HA TRP A 97 11.161 -9.252 23.168 1.00 0.00 H ATOM 433 HB2 TRP A 97 9.284 -10.386 24.396 1.00 0.00 H ATOM 434 HB3 TRP A 97 10.224 -11.543 23.424 1.00 0.00 H ATOM 435 HE1 TRP A 97 11.362 -14.399 27.116 1.00 0.00 H ATOM 436 HD1 TRP A 97 11.694 -13.376 24.754 1.00 0.00 H ATOM 437 HZ2 TRP A 97 10.004 -13.685 29.484 1.00 0.00 H ATOM 438 HH2 TRP A 97 8.561 -11.908 30.421 1.00 0.00 H ATOM 439 HZ3 TRP A 97 7.897 -9.945 29.052 1.00 0.00 H ATOM 440 HE3 TRP A 97 8.688 -9.709 26.715 1.00 0.00 H ATOM 441 H TRP A 97 12.660 -11.466 23.599 1.00 0.00 H ATOM 442 N PRO A 98 11.944 -8.888 26.287 1.00 24.36 N ATOM 443 CA PRO A 98 11.762 -7.798 27.266 1.00 24.47 C ATOM 444 C PRO A 98 12.432 -6.502 26.814 1.00 24.36 C ATOM 445 O PRO A 98 12.168 -5.425 27.350 1.00 26.67 O ATOM 446 CB PRO A 98 12.418 -8.344 28.532 1.00 23.07 C ATOM 447 CG PRO A 98 12.458 -9.865 28.287 1.00 21.82 C ATOM 448 CD PRO A 98 12.801 -9.946 26.832 1.00 21.20 C ATOM 449 HA PRO A 98 10.713 -7.536 27.403 1.00 0.00 H ATOM 450 HD3 PRO A 98 13.856 -9.738 26.656 1.00 0.00 H ATOM 451 HD2 PRO A 98 12.550 -10.921 26.414 1.00 0.00 H ATOM 452 HG3 PRO A 98 11.490 -10.323 28.491 1.00 0.00 H ATOM 453 HG2 PRO A 98 13.222 -10.344 28.900 1.00 0.00 H ATOM 454 HB2 PRO A 98 13.424 -7.942 28.655 1.00 0.00 H ATOM 455 HB3 PRO A 98 11.823 -8.106 29.414 1.00 0.00 H ATOM 456 N PHE A 99 13.290 -6.613 25.811 1.00 23.77 N ATOM 457 CA PHE A 99 14.033 -5.463 25.323 1.00 29.08 C ATOM 458 C PHE A 99 13.538 -4.773 24.051 1.00 27.34 C ATOM 459 O PHE A 99 14.058 -3.737 23.684 1.00 27.50 O ATOM 460 CB PHE A 99 15.494 -5.868 25.141 1.00 27.89 C ATOM 461 CG PHE A 99 16.117 -6.388 26.389 1.00 28.63 C ATOM 462 CD1 PHE A 99 16.136 -7.758 26.657 1.00 26.84 C ATOM 463 CD2 PHE A 99 16.643 -5.506 27.328 1.00 26.40 C ATOM 464 CE1 PHE A 99 16.677 -8.244 27.852 1.00 24.48 C ATOM 465 CE2 PHE A 99 17.176 -5.974 28.519 1.00 25.27 C ATOM 466 CZ PHE A 99 17.197 -7.346 28.786 1.00 23.05 C ATOM 467 HA PHE A 99 13.880 -4.706 26.092 1.00 0.00 H ATOM 468 HB2 PHE A 99 15.546 -6.644 24.378 1.00 0.00 H ATOM 469 HB3 PHE A 99 16.057 -4.996 24.810 1.00 0.00 H ATOM 470 HD2 PHE A 99 16.636 -4.435 27.125 1.00 0.00 H ATOM 471 HE2 PHE A 99 17.579 -5.271 29.248 1.00 0.00 H ATOM 472 HZ PHE A 99 17.618 -7.714 29.721 1.00 0.00 H ATOM 473 HE1 PHE A 99 16.692 -9.315 28.052 1.00 0.00 H ATOM 474 HD1 PHE A 99 15.725 -8.456 25.928 1.00 0.00 H ATOM 475 H PHE A 99 13.435 -7.541 25.364 1.00 0.00 H ATOM 476 N ARG A 100 12.543 -5.342 23.389 1.00 30.43 N ATOM 477 CA ARG A 100 12.023 -4.760 22.156 1.00 31.76 C ATOM 478 C ARG A 100 11.232 -3.470 22.310 1.00 29.93 C ATOM 479 O ARG A 100 10.939 -2.824 21.329 1.00 30.07 O ATOM 480 CB ARG A 100 11.160 -5.776 21.423 1.00 33.31 C ATOM 481 CG ARG A 100 11.932 -6.963 20.872 1.00 31.14 C ATOM 482 CD ARG A 100 10.954 -7.992 20.306 1.00 29.24 C ATOM 483 NE ARG A 100 11.592 -9.273 20.016 1.00 33.55 N ATOM 484 CZ ARG A 100 11.002 -10.437 20.250 1.00 29.38 C ATOM 485 NH1 ARG A 100 9.785 -10.445 20.770 1.00 30.33 N ATOM 486 NH2 ARG A 100 11.615 -11.574 19.962 1.00 30.14 N ATOM 487 HA ARG A 100 12.915 -4.493 21.589 1.00 0.00 H ATOM 488 HB2 ARG A 100 10.407 -6.149 22.117 1.00 0.00 H ATOM 489 HB3 ARG A 100 10.668 -5.271 20.591 1.00 0.00 H ATOM 490 HG2 ARG A 100 12.602 -6.625 20.081 1.00 0.00 H ATOM 491 HG3 ARG A 100 12.516 -7.419 21.671 1.00 0.00 H ATOM 492 HD2 ARG A 100 10.527 -7.598 19.384 1.00 0.00 H ATOM 493 HD3 ARG A 100 10.158 -8.155 21.033 1.00 0.00 H ATOM 494 HE ARG A 100 12.549 -9.272 19.609 1.00 0.00 H ATOM 495 HH12 ARG A 100 9.307 -11.349 20.960 1.00 0.00 H ATOM 496 HH11 ARG A 100 9.307 -9.548 20.988 1.00 0.00 H ATOM 497 HH22 ARG A 100 11.143 -12.481 20.150 1.00 0.00 H ATOM 498 HH21 ARG A 100 12.569 -11.560 19.548 1.00 0.00 H ATOM 499 H ARG A 100 12.124 -6.221 23.755 1.00 0.00 H ATOM 500 N GLN A 101 10.868 -3.096 23.529 1.00 31.88 N ATOM 501 CA GLN A 101 10.128 -1.854 23.711 1.00 34.75 C ATOM 502 C GLN A 101 10.549 -1.256 25.037 1.00 35.64 C ATOM 503 O GLN A 101 11.118 -1.939 25.878 1.00 36.08 O ATOM 504 CB GLN A 101 8.601 -2.086 23.693 1.00 34.07 C ATOM 505 CG GLN A 101 8.074 -2.897 24.856 1.00 35.10 C ATOM 506 CD GLN A 101 8.643 -4.325 24.870 1.00 42.92 C ATOM 507 OE1 GLN A 101 9.124 -4.821 25.908 1.00 42.01 O ATOM 508 NE2 GLN A 101 8.591 -4.988 23.713 1.00 40.80 N ATOM 509 HA GLN A 101 10.354 -1.177 22.887 1.00 0.00 H ATOM 510 HB2 GLN A 101 8.109 -1.114 23.705 1.00 0.00 H ATOM 511 HB3 GLN A 101 8.347 -2.609 22.771 1.00 0.00 H ATOM 512 HG2 GLN A 101 8.350 -2.399 25.786 1.00 0.00 H ATOM 513 HG3 GLN A 101 6.988 -2.952 24.783 1.00 0.00 H ATOM 514 HE22 GLN A 101 8.181 -4.535 22.872 1.00 0.00 H ATOM 515 HE21 GLN A 101 8.961 -5.958 23.653 1.00 0.00 H ATOM 516 H GLN A 101 11.109 -3.686 24.351 1.00 0.00 H ATOM 517 N PRO A 102 10.281 0.039 25.233 1.00 35.05 N ATOM 518 CA PRO A 102 10.645 0.708 26.475 1.00 35.02 C ATOM 519 C PRO A 102 10.164 -0.058 27.702 1.00 36.35 C ATOM 520 O PRO A 102 9.175 -0.793 27.648 1.00 36.67 O ATOM 521 CB PRO A 102 9.942 2.059 26.351 1.00 34.57 C ATOM 522 CG PRO A 102 9.916 2.294 24.892 1.00 29.98 C ATOM 523 CD PRO A 102 9.545 0.951 24.343 1.00 33.55 C ATOM 524 HA PRO A 102 11.723 0.790 26.610 1.00 0.00 H ATOM 525 HD3 PRO A 102 8.470 0.782 24.404 1.00 0.00 H ATOM 526 HD2 PRO A 102 9.870 0.843 23.308 1.00 0.00 H ATOM 527 HG3 PRO A 102 10.894 2.610 24.528 1.00 0.00 H ATOM 528 HG2 PRO A 102 9.171 3.045 24.629 1.00 0.00 H ATOM 529 HB2 PRO A 102 8.932 2.013 26.758 1.00 0.00 H ATOM 530 HB3 PRO A 102 10.503 2.840 26.863 1.00 0.00 H ATOM 531 N VAL A 103 10.876 0.108 28.807 1.00 34.43 N ATOM 532 CA VAL A 103 10.470 -0.520 30.043 1.00 36.59 C ATOM 533 C VAL A 103 9.210 0.238 30.479 1.00 38.41 C ATOM 534 O VAL A 103 9.164 1.475 30.409 1.00 37.69 O ATOM 535 CB VAL A 103 11.562 -0.364 31.130 1.00 36.25 C ATOM 536 CG1 VAL A 103 11.048 -0.880 32.476 1.00 35.06 C ATOM 537 CG2 VAL A 103 12.829 -1.129 30.702 1.00 39.32 C ATOM 538 HA VAL A 103 10.299 -1.588 29.908 1.00 0.00 H ATOM 539 HB VAL A 103 11.809 0.692 31.243 1.00 0.00 H ATOM 540 HG11 VAL A 103 10.167 -0.309 32.770 1.00 0.00 H ATOM 541 HG12 VAL A 103 10.785 -1.934 32.383 1.00 0.00 H ATOM 542 HG13 VAL A 103 11.827 -0.764 33.230 1.00 0.00 H ATOM 543 HG21 VAL A 103 12.589 -2.185 30.577 1.00 0.00 H ATOM 544 HG22 VAL A 103 13.195 -0.724 29.759 1.00 0.00 H ATOM 545 HG23 VAL A 103 13.596 -1.017 31.469 1.00 0.00 H ATOM 546 H VAL A 103 11.734 0.695 28.784 1.00 0.00 H ATOM 547 N ASP A 104 8.189 -0.494 30.912 1.00 41.47 N ATOM 548 CA ASP A 104 6.944 0.130 31.363 1.00 44.14 C ATOM 549 C ASP A 104 6.960 0.017 32.874 1.00 44.92 C ATOM 550 O ASP A 104 6.625 -1.030 33.418 1.00 45.95 O ATOM 551 CB ASP A 104 5.727 -0.620 30.809 1.00 47.53 C ATOM 552 CG ASP A 104 4.421 0.188 30.928 1.00 52.24 C ATOM 553 OD1 ASP A 104 4.252 0.931 31.932 1.00 48.46 O ATOM 554 OD2 ASP A 104 3.558 0.062 30.017 1.00 49.89 O ATOM 555 HA ASP A 104 6.874 1.163 31.021 1.00 0.00 H ATOM 556 HB2 ASP A 104 5.904 -0.842 29.757 1.00 0.00 H ATOM 557 HB3 ASP A 104 5.611 -1.552 31.362 1.00 0.00 H ATOM 558 H ASP A 104 8.276 -1.530 30.931 1.00 0.00 H ATOM 559 N ALA A 105 7.363 1.088 33.549 1.00 45.65 N ATOM 560 CA ALA A 105 7.438 1.085 35.008 1.00 47.66 C ATOM 561 C ALA A 105 6.100 0.735 35.638 1.00 48.29 C ATOM 562 O ALA A 105 6.038 -0.029 36.602 1.00 48.22 O ATOM 563 CB ALA A 105 7.908 2.433 35.505 1.00 43.97 C ATOM 564 HA ALA A 105 8.155 0.319 35.303 1.00 0.00 H ATOM 565 HB1 ALA A 105 8.895 2.646 35.095 1.00 0.00 H ATOM 566 HB2 ALA A 105 7.206 3.202 35.183 1.00 0.00 H ATOM 567 HB3 ALA A 105 7.960 2.419 36.594 1.00 0.00 H ATOM 568 H ALA A 105 7.631 1.947 33.028 1.00 0.00 H ATOM 569 N VAL A 106 5.037 1.298 35.078 1.00 50.18 N ATOM 570 CA VAL A 106 3.675 1.068 35.556 1.00 54.28 C ATOM 571 C VAL A 106 3.250 -0.397 35.391 1.00 54.80 C ATOM 572 O VAL A 106 2.938 -1.082 36.365 1.00 55.56 O ATOM 573 CB VAL A 106 2.657 1.955 34.776 1.00 55.84 C ATOM 574 CG1 VAL A 106 1.260 1.824 35.388 1.00 57.92 C ATOM 575 CG2 VAL A 106 3.117 3.412 34.774 1.00 56.39 C ATOM 576 HA VAL A 106 3.673 1.327 36.615 1.00 0.00 H ATOM 577 HB VAL A 106 2.610 1.611 33.743 1.00 0.00 H ATOM 578 HG11 VAL A 106 0.939 0.784 35.337 1.00 0.00 H ATOM 579 HG12 VAL A 106 1.289 2.146 36.429 1.00 0.00 H ATOM 580 HG13 VAL A 106 0.561 2.449 34.832 1.00 0.00 H ATOM 581 HG21 VAL A 106 3.189 3.770 35.801 1.00 0.00 H ATOM 582 HG22 VAL A 106 4.093 3.483 34.294 1.00 0.00 H ATOM 583 HG23 VAL A 106 2.396 4.019 34.226 1.00 0.00 H ATOM 584 H VAL A 106 5.179 1.930 34.264 1.00 0.00 H ATOM 585 N LYS A 107 3.246 -0.868 34.149 1.00 54.91 N ATOM 586 CA LYS A 107 2.837 -2.230 33.838 1.00 56.30 C ATOM 587 C LYS A 107 3.613 -3.309 34.585 1.00 58.31 C ATOM 588 O LYS A 107 3.036 -4.303 35.027 1.00 59.90 O ATOM 589 CB LYS A 107 2.965 -2.473 32.336 1.00 55.45 C ATOM 590 CG LYS A 107 1.725 -3.072 31.688 1.00 61.27 C ATOM 591 CD LYS A 107 1.418 -4.474 32.204 1.00 63.74 C ATOM 592 CE LYS A 107 2.349 -5.517 31.591 1.00 64.28 C ATOM 593 NZ LYS A 107 2.171 -5.624 30.107 1.00 65.74 N ATOM 594 HA LYS A 107 1.802 -2.311 34.170 1.00 0.00 H ATOM 595 HB2 LYS A 107 3.175 -1.519 31.853 1.00 0.00 H ATOM 596 HB3 LYS A 107 3.799 -3.154 32.171 1.00 0.00 H ATOM 597 HG2 LYS A 107 0.873 -2.426 31.900 1.00 0.00 H ATOM 598 HG3 LYS A 107 1.882 -3.122 30.611 1.00 0.00 H ATOM 599 HD2 LYS A 107 1.538 -4.486 33.287 1.00 0.00 H ATOM 600 HD3 LYS A 107 0.388 -4.727 31.951 1.00 0.00 H ATOM 601 HE2 LYS A 107 2.138 -6.487 32.042 1.00 0.00 H ATOM 602 HE3 LYS A 107 3.381 -5.236 31.803 1.00 0.00 H ATOM 603 HZ1 LYS A 107 1.190 -5.898 29.896 1.00 0.00 H ATOM 604 HZ2 LYS A 107 2.377 -4.705 29.667 1.00 0.00 H ATOM 605 HZ3 LYS A 107 2.822 -6.343 29.732 1.00 0.00 H ATOM 606 H LYS A 107 3.545 -0.243 33.373 1.00 0.00 H ATOM 607 N LEU A 108 4.920 -3.118 34.731 1.00 58.55 N ATOM 608 CA LEU A 108 5.749 -4.117 35.386 1.00 58.02 C ATOM 609 C LEU A 108 5.881 -3.923 36.892 1.00 58.31 C ATOM 610 O LEU A 108 6.504 -4.738 37.580 1.00 60.47 O ATOM 611 CB LEU A 108 7.131 -4.177 34.712 1.00 59.59 C ATOM 612 CG LEU A 108 7.190 -4.575 33.221 1.00 60.05 C ATOM 613 CD1 LEU A 108 6.417 -5.872 32.991 1.00 60.66 C ATOM 614 CD2 LEU A 108 6.612 -3.488 32.361 1.00 62.58 C ATOM 615 HA LEU A 108 5.238 -5.072 35.263 1.00 0.00 H ATOM 616 HB2 LEU A 108 7.580 -3.188 34.802 1.00 0.00 H ATOM 617 HB3 LEU A 108 7.731 -4.899 35.265 1.00 0.00 H ATOM 618 HG LEU A 108 8.235 -4.724 32.949 1.00 0.00 H ATOM 619 HD21 LEU A 108 5.572 -3.319 32.641 1.00 0.00 H ATOM 620 HD22 LEU A 108 7.182 -2.570 32.505 1.00 0.00 H ATOM 621 HD23 LEU A 108 6.663 -3.789 31.314 1.00 0.00 H ATOM 622 HD11 LEU A 108 6.858 -6.668 33.591 1.00 0.00 H ATOM 623 HD12 LEU A 108 5.376 -5.730 33.282 1.00 0.00 H ATOM 624 HD13 LEU A 108 6.467 -6.141 31.936 1.00 0.00 H ATOM 625 H LEU A 108 5.355 -2.244 34.373 1.00 0.00 H ATOM 626 N GLY A 109 5.284 -2.850 37.399 1.00 56.65 N ATOM 627 CA GLY A 109 5.307 -2.588 38.826 1.00 56.29 C ATOM 628 C GLY A 109 6.607 -2.166 39.483 1.00 56.91 C ATOM 629 O GLY A 109 6.909 -2.604 40.592 1.00 56.65 O ATOM 630 HA3 GLY A 109 4.982 -3.502 39.323 1.00 0.00 H ATOM 631 HA2 GLY A 109 4.583 -1.796 39.016 1.00 0.00 H ATOM 632 H GLY A 109 4.793 -2.188 36.764 1.00 0.00 H ATOM 633 N LEU A 110 7.379 -1.317 38.814 1.00 56.08 N ATOM 634 CA LEU A 110 8.637 -0.826 39.380 1.00 55.24 C ATOM 635 C LEU A 110 8.506 0.698 39.423 1.00 55.71 C ATOM 636 O LEU A 110 9.028 1.395 38.557 1.00 54.07 O ATOM 637 CB LEU A 110 9.827 -1.208 38.491 1.00 54.06 C ATOM 638 CG LEU A 110 10.003 -2.615 37.911 1.00 52.31 C ATOM 639 CD1 LEU A 110 9.172 -3.601 38.692 1.00 52.86 C ATOM 640 CD2 LEU A 110 9.620 -2.625 36.441 1.00 49.50 C ATOM 641 HA LEU A 110 8.814 -1.258 40.365 1.00 0.00 H ATOM 642 HB2 LEU A 110 9.798 -0.530 37.638 1.00 0.00 H ATOM 643 HB3 LEU A 110 10.722 -1.009 39.081 1.00 0.00 H ATOM 644 HG LEU A 110 11.050 -2.909 37.992 1.00 0.00 H ATOM 645 HD21 LEU A 110 8.578 -2.322 36.336 1.00 0.00 H ATOM 646 HD22 LEU A 110 10.259 -1.930 35.896 1.00 0.00 H ATOM 647 HD23 LEU A 110 9.749 -3.630 36.040 1.00 0.00 H ATOM 648 HD11 LEU A 110 9.492 -3.599 39.734 1.00 0.00 H ATOM 649 HD12 LEU A 110 8.122 -3.316 38.633 1.00 0.00 H ATOM 650 HD13 LEU A 110 9.304 -4.598 38.272 1.00 0.00 H ATOM 651 H LEU A 110 7.084 -0.995 37.870 1.00 0.00 H ATOM 652 N PRO A 111 7.792 1.232 40.432 1.00 56.89 N ATOM 653 CA PRO A 111 7.581 2.679 40.583 1.00 55.11 C ATOM 654 C PRO A 111 8.842 3.484 40.853 1.00 53.10 C ATOM 655 O PRO A 111 8.810 4.719 40.871 1.00 54.24 O ATOM 656 CB PRO A 111 6.580 2.763 41.733 1.00 55.56 C ATOM 657 CG PRO A 111 6.955 1.572 42.576 1.00 56.27 C ATOM 658 CD PRO A 111 7.152 0.491 41.537 1.00 56.77 C ATOM 659 HA PRO A 111 7.225 3.127 39.655 1.00 0.00 H ATOM 660 HD3 PRO A 111 7.801 -0.302 41.909 1.00 0.00 H ATOM 661 HD2 PRO A 111 6.199 0.063 41.226 1.00 0.00 H ATOM 662 HG3 PRO A 111 6.156 1.312 43.270 1.00 0.00 H ATOM 663 HG2 PRO A 111 7.873 1.756 43.134 1.00 0.00 H ATOM 664 HB2 PRO A 111 6.696 3.693 42.290 1.00 0.00 H ATOM 665 HB3 PRO A 111 5.555 2.683 41.371 1.00 0.00 H ATOM 666 N ASP A 112 9.956 2.788 41.051 1.00 49.08 N ATOM 667 CA ASP A 112 11.225 3.461 41.324 1.00 43.22 C ATOM 668 C ASP A 112 12.195 3.348 40.136 1.00 37.66 C ATOM 669 O ASP A 112 13.322 3.833 40.194 1.00 37.16 O ATOM 670 CB ASP A 112 11.857 2.833 42.557 1.00 41.24 C ATOM 671 CG ASP A 112 12.244 1.393 42.319 1.00 40.32 C ATOM 672 OD1 ASP A 112 11.517 0.713 41.557 1.00 37.18 O ATOM 673 OD2 ASP A 112 13.263 0.944 42.891 1.00 41.30 O ATOM 674 HA ASP A 112 11.026 4.520 41.490 1.00 0.00 H ATOM 675 HB2 ASP A 112 12.750 3.399 42.823 1.00 0.00 H ATOM 676 HB3 ASP A 112 11.143 2.875 43.380 1.00 0.00 H ATOM 677 H ASP A 112 9.925 1.749 41.011 1.00 0.00 H ATOM 678 N TYR A 113 11.753 2.710 39.063 1.00 33.77 N ATOM 679 CA TYR A 113 12.612 2.515 37.906 1.00 32.89 C ATOM 680 C TYR A 113 13.222 3.813 37.371 1.00 32.11 C ATOM 681 O TYR A 113 14.446 3.931 37.250 1.00 34.28 O ATOM 682 CB TYR A 113 11.850 1.818 36.780 1.00 26.15 C ATOM 683 CG TYR A 113 12.751 1.484 35.604 1.00 31.16 C ATOM 684 CD1 TYR A 113 13.634 0.391 35.656 1.00 29.15 C ATOM 685 CD2 TYR A 113 12.753 2.277 34.449 1.00 25.86 C ATOM 686 CE1 TYR A 113 14.491 0.104 34.588 1.00 27.70 C ATOM 687 CE2 TYR A 113 13.597 1.995 33.377 1.00 23.96 C ATOM 688 CZ TYR A 113 14.468 0.902 33.456 1.00 26.69 C ATOM 689 OH TYR A 113 15.315 0.621 32.409 1.00 26.66 O ATOM 690 HA TYR A 113 13.434 1.889 38.252 1.00 0.00 H ATOM 691 HB3 TYR A 113 11.051 2.475 36.436 1.00 0.00 H ATOM 692 HB2 TYR A 113 11.418 0.895 37.166 1.00 0.00 H ATOM 693 HD2 TYR A 113 12.080 3.132 34.388 1.00 0.00 H ATOM 694 HE2 TYR A 113 13.579 2.620 32.484 1.00 0.00 H ATOM 695 HE1 TYR A 113 15.174 -0.744 34.646 1.00 0.00 H ATOM 696 HD1 TYR A 113 13.651 -0.243 36.543 1.00 0.00 H ATOM 697 HH TYR A 113 15.857 -0.178 32.629 1.00 0.00 H ATOM 698 H TYR A 113 10.780 2.344 39.048 1.00 0.00 H ATOM 699 N HIS A 114 12.368 4.779 37.054 1.00 30.63 N ATOM 700 CA HIS A 114 12.813 6.054 36.509 1.00 31.43 C ATOM 701 C HIS A 114 13.524 6.977 37.501 1.00 35.10 C ATOM 702 O HIS A 114 14.000 8.045 37.112 1.00 35.27 O ATOM 703 CB HIS A 114 11.632 6.765 35.869 1.00 32.27 C ATOM 704 CG HIS A 114 11.047 6.022 34.707 1.00 31.57 C ATOM 705 ND1 HIS A 114 11.611 6.047 33.448 1.00 34.39 N ATOM 706 CD2 HIS A 114 9.956 5.225 34.617 1.00 26.72 C ATOM 707 CE1 HIS A 114 10.886 5.301 32.630 1.00 31.98 C ATOM 708 NE2 HIS A 114 9.876 4.791 33.316 1.00 29.73 N ATOM 709 HA HIS A 114 13.575 5.813 35.768 1.00 0.00 H ATOM 710 HB2 HIS A 114 10.856 6.893 36.623 1.00 0.00 H ATOM 711 HB3 HIS A 114 11.964 7.743 35.522 1.00 0.00 H ATOM 712 HD2 HIS A 114 9.269 4.975 35.426 1.00 0.00 H ATOM 713 HE1 HIS A 114 11.087 5.135 31.572 1.00 0.00 H ATOM 714 H HIS A 114 11.351 4.620 37.199 1.00 0.00 H ATOM 715 N LYS A 115 13.607 6.568 38.771 1.00 34.70 N ATOM 716 CA LYS A 115 14.315 7.354 39.787 1.00 36.71 C ATOM 717 C LYS A 115 15.770 6.888 39.784 1.00 36.34 C ATOM 718 O LYS A 115 16.672 7.593 40.227 1.00 34.64 O ATOM 719 CB LYS A 115 13.765 7.088 41.195 1.00 39.75 C ATOM 720 CG LYS A 115 12.254 7.101 41.337 1.00 46.75 C ATOM 721 CD LYS A 115 11.686 8.498 41.449 1.00 48.98 C ATOM 722 CE LYS A 115 10.213 8.440 41.845 1.00 51.92 C ATOM 723 NZ LYS A 115 9.604 9.790 41.971 1.00 55.13 N ATOM 724 HA LYS A 115 14.199 8.413 39.555 1.00 0.00 H ATOM 725 HB2 LYS A 115 14.121 6.108 41.512 1.00 0.00 H ATOM 726 HB3 LYS A 115 14.168 7.852 41.860 1.00 0.00 H ATOM 727 HG2 LYS A 115 11.818 6.617 40.463 1.00 0.00 H ATOM 728 HG3 LYS A 115 11.984 6.542 42.233 1.00 0.00 H ATOM 729 HD2 LYS A 115 12.241 9.053 42.206 1.00 0.00 H ATOM 730 HD3 LYS A 115 11.781 9.003 40.488 1.00 0.00 H ATOM 731 HE2 LYS A 115 10.128 7.927 42.803 1.00 0.00 H ATOM 732 HE3 LYS A 115 9.668 7.880 41.085 1.00 0.00 H ATOM 733 HZ1 LYS A 115 10.111 10.331 42.700 1.00 0.00 H ATOM 734 HZ2 LYS A 115 9.672 10.286 41.059 1.00 0.00 H ATOM 735 HZ3 LYS A 115 8.604 9.694 42.241 1.00 0.00 H ATOM 736 H LYS A 115 13.159 5.671 39.045 1.00 0.00 H ATOM 737 N ILE A 116 15.981 5.671 39.306 1.00 33.95 N ATOM 738 CA ILE A 116 17.309 5.087 39.262 1.00 31.24 C ATOM 739 C ILE A 116 17.911 5.086 37.864 1.00 28.73 C ATOM 740 O ILE A 116 19.109 5.303 37.692 1.00 29.56 O ATOM 741 CB ILE A 116 17.245 3.641 39.803 1.00 34.95 C ATOM 742 CG1 ILE A 116 16.936 3.704 41.304 1.00 37.38 C ATOM 743 CG2 ILE A 116 18.539 2.884 39.484 1.00 30.67 C ATOM 744 CD1 ILE A 116 16.483 2.399 41.905 1.00 42.24 C ATOM 745 HA ILE A 116 17.957 5.704 39.884 1.00 0.00 H ATOM 746 HB ILE A 116 16.449 3.079 39.314 1.00 0.00 H ATOM 747 HG12 ILE A 116 17.839 4.023 41.824 1.00 0.00 H ATOM 748 HG13 ILE A 116 16.149 4.442 41.459 1.00 0.00 H ATOM 749 HD11 ILE A 116 15.572 2.068 41.407 1.00 0.00 H ATOM 750 HD12 ILE A 116 17.263 1.649 41.773 1.00 0.00 H ATOM 751 HD13 ILE A 116 16.288 2.539 42.968 1.00 0.00 H ATOM 752 HG21 ILE A 116 18.682 2.850 38.404 1.00 0.00 H ATOM 753 HG22 ILE A 116 19.382 3.397 39.947 1.00 0.00 H ATOM 754 HG23 ILE A 116 18.470 1.869 39.875 1.00 0.00 H ATOM 755 H ILE A 116 15.173 5.119 38.953 1.00 0.00 H ATOM 756 N ILE A 117 17.076 4.829 36.867 1.00 26.19 N ATOM 757 CA ILE A 117 17.533 4.783 35.492 1.00 26.39 C ATOM 758 C ILE A 117 17.141 6.099 34.852 1.00 30.72 C ATOM 759 O ILE A 117 15.967 6.331 34.562 1.00 31.39 O ATOM 760 CB ILE A 117 16.879 3.594 34.743 1.00 23.40 C ATOM 761 CG1 ILE A 117 17.293 2.286 35.418 1.00 19.49 C ATOM 762 CG2 ILE A 117 17.269 3.588 33.272 1.00 19.73 C ATOM 763 CD1 ILE A 117 18.784 2.176 35.627 1.00 23.55 C ATOM 764 HA ILE A 117 18.612 4.639 35.446 1.00 0.00 H ATOM 765 HB ILE A 117 15.795 3.699 34.791 1.00 0.00 H ATOM 766 HG12 ILE A 117 16.800 2.225 36.388 1.00 0.00 H ATOM 767 HG13 ILE A 117 16.967 1.454 34.793 1.00 0.00 H ATOM 768 HD11 ILE A 117 19.289 2.226 34.663 1.00 0.00 H ATOM 769 HD12 ILE A 117 19.123 2.997 36.259 1.00 0.00 H ATOM 770 HD13 ILE A 117 19.013 1.226 36.110 1.00 0.00 H ATOM 771 HG21 ILE A 117 16.939 4.517 32.806 1.00 0.00 H ATOM 772 HG22 ILE A 117 18.352 3.501 33.185 1.00 0.00 H ATOM 773 HG23 ILE A 117 16.794 2.742 32.775 1.00 0.00 H ATOM 774 H ILE A 117 16.072 4.657 37.076 1.00 0.00 H ATOM 775 N LYS A 118 18.125 6.964 34.647 1.00 30.22 N ATOM 776 CA LYS A 118 17.858 8.273 34.070 1.00 33.74 C ATOM 777 C LYS A 118 17.836 8.305 32.543 1.00 33.41 C ATOM 778 O LYS A 118 17.306 9.240 31.938 1.00 36.07 O ATOM 779 CB LYS A 118 18.877 9.292 34.606 1.00 35.46 C ATOM 780 CG LYS A 118 18.709 9.584 36.094 1.00 35.08 C ATOM 781 CD LYS A 118 17.244 9.837 36.386 1.00 38.47 C ATOM 782 CE LYS A 118 17.015 10.493 37.729 1.00 38.63 C ATOM 783 NZ LYS A 118 15.553 10.651 37.952 1.00 35.34 N ATOM 784 HA LYS A 118 16.846 8.535 34.380 1.00 0.00 H ATOM 785 HB2 LYS A 118 19.880 8.899 34.441 1.00 0.00 H ATOM 786 HB3 LYS A 118 18.758 10.224 34.054 1.00 0.00 H ATOM 787 HG2 LYS A 118 19.055 8.730 36.676 1.00 0.00 H ATOM 788 HG3 LYS A 118 19.293 10.465 36.362 1.00 0.00 H ATOM 789 HD2 LYS A 118 16.841 10.486 35.609 1.00 0.00 H ATOM 790 HD3 LYS A 118 16.716 8.883 36.370 1.00 0.00 H ATOM 791 HE2 LYS A 118 17.494 11.472 37.744 1.00 0.00 H ATOM 792 HE3 LYS A 118 17.439 9.870 38.517 1.00 0.00 H ATOM 793 HZ1 LYS A 118 15.151 11.245 37.199 1.00 0.00 H ATOM 794 HZ2 LYS A 118 15.098 9.716 37.937 1.00 0.00 H ATOM 795 HZ3 LYS A 118 15.391 11.102 38.875 1.00 0.00 H ATOM 796 H LYS A 118 19.099 6.704 34.902 1.00 0.00 H ATOM 797 N GLN A 119 18.436 7.304 31.916 1.00 30.77 N ATOM 798 CA GLN A 119 18.446 7.262 30.478 1.00 27.91 C ATOM 799 C GLN A 119 17.977 5.900 29.993 1.00 26.05 C ATOM 800 O GLN A 119 18.786 5.019 29.685 1.00 23.26 O ATOM 801 CB GLN A 119 19.836 7.581 29.926 1.00 29.86 C ATOM 802 CG GLN A 119 19.771 7.767 28.405 1.00 38.69 C ATOM 803 CD GLN A 119 21.129 7.765 27.714 1.00 38.79 C ATOM 804 OE1 GLN A 119 21.201 7.630 26.489 1.00 30.75 O ATOM 805 NE2 GLN A 119 22.204 7.923 28.492 1.00 35.86 N ATOM 806 HA GLN A 119 17.759 8.024 30.108 1.00 0.00 H ATOM 807 HB2 GLN A 119 20.205 8.498 30.386 1.00 0.00 H ATOM 808 HB3 GLN A 119 20.514 6.760 30.160 1.00 0.00 H ATOM 809 HG2 GLN A 119 19.174 6.957 27.987 1.00 0.00 H ATOM 810 HG3 GLN A 119 19.284 8.720 28.198 1.00 0.00 H ATOM 811 HE22 GLN A 119 22.090 8.033 29.520 1.00 0.00 H ATOM 812 HE21 GLN A 119 23.154 7.936 28.070 1.00 0.00 H ATOM 813 H GLN A 119 18.899 6.550 32.462 1.00 0.00 H ATOM 814 N PRO A 120 16.649 5.705 29.945 1.00 25.91 N ATOM 815 CA PRO A 120 16.033 4.446 29.491 1.00 22.76 C ATOM 816 C PRO A 120 16.438 4.208 28.032 1.00 24.17 C ATOM 817 O PRO A 120 16.652 5.156 27.282 1.00 20.20 O ATOM 818 CB PRO A 120 14.529 4.722 29.588 1.00 26.44 C ATOM 819 CG PRO A 120 14.421 5.937 30.535 1.00 29.18 C ATOM 820 CD PRO A 120 15.631 6.752 30.182 1.00 24.54 C ATOM 821 HA PRO A 120 16.331 3.571 30.069 1.00 0.00 H ATOM 822 HD3 PRO A 120 15.460 7.348 29.286 1.00 0.00 H ATOM 823 HD2 PRO A 120 15.921 7.408 31.003 1.00 0.00 H ATOM 824 HG3 PRO A 120 14.450 5.624 31.579 1.00 0.00 H ATOM 825 HG2 PRO A 120 13.504 6.497 30.351 1.00 0.00 H ATOM 826 HB2 PRO A 120 14.116 4.959 28.607 1.00 0.00 H ATOM 827 HB3 PRO A 120 14.005 3.861 30.003 1.00 0.00 H HETATM 828 N MSE A 121 16.535 2.947 27.624 1.00 25.64 N HETATM 829 CA MSE A 121 16.908 2.641 26.247 1.00 20.30 C HETATM 830 C MSE A 121 16.386 1.223 25.988 1.00 21.80 C HETATM 831 O MSE A 121 16.254 0.413 26.914 1.00 21.05 O HETATM 832 CB MSE A 121 18.432 2.754 26.088 1.00 17.25 C HETATM 833 CG MSE A 121 18.975 2.684 24.649 1.00 16.45 C HETATM 834 SE MSE A 121 17.977 3.743 23.331 1.00 27.47 S HETATM 835 CE MSE A 121 18.234 5.496 24.086 1.00 19.67 C HETATM 836 HE3 MSE A 121 17.731 6.236 23.463 1.00 0.00 H HETATM 837 HE2 MSE A 121 19.300 5.719 24.128 1.00 0.00 H HETATM 838 HE1 MSE A 121 17.816 5.522 25.092 1.00 0.00 H HETATM 839 HG2 MSE A 121 20.005 3.040 24.659 1.00 0.00 H HETATM 840 HG1 MSE A 121 18.955 1.642 24.330 1.00 0.00 H HETATM 841 HB2 MSE A 121 18.886 1.941 26.655 1.00 0.00 H HETATM 842 HB1 MSE A 121 18.741 3.709 26.514 1.00 0.00 H HETATM 843 HA MSE A 121 16.481 3.334 25.522 1.00 0.00 H HETATM 844 H MSE A 121 16.344 2.172 28.291 1.00 0.00 H ATOM 845 N ASP A 122 16.048 0.944 24.738 1.00 20.27 N ATOM 846 CA ASP A 122 15.490 -0.340 24.371 1.00 21.39 C ATOM 847 C ASP A 122 15.774 -0.564 22.897 1.00 21.75 C ATOM 848 O ASP A 122 16.113 0.373 22.165 1.00 19.49 O ATOM 849 CB ASP A 122 13.971 -0.347 24.612 1.00 24.55 C ATOM 850 CG ASP A 122 13.230 0.631 23.710 1.00 25.07 C ATOM 851 OD1 ASP A 122 13.126 1.825 24.056 1.00 26.53 O ATOM 852 OD2 ASP A 122 12.772 0.209 22.634 1.00 29.19 O ATOM 853 HA ASP A 122 15.936 -1.131 24.974 1.00 0.00 H ATOM 854 HB2 ASP A 122 13.592 -1.352 24.424 1.00 0.00 H ATOM 855 HB3 ASP A 122 13.781 -0.077 25.651 1.00 0.00 H ATOM 856 H ASP A 122 16.187 1.666 24.002 1.00 0.00 H HETATM 857 N MSE A 123 15.620 -1.798 22.455 1.00 22.68 N HETATM 858 CA MSE A 123 15.880 -2.110 21.054 1.00 27.71 C HETATM 859 C MSE A 123 14.947 -1.423 20.041 1.00 25.30 C HETATM 860 O MSE A 123 15.376 -1.147 18.925 1.00 21.48 O HETATM 861 CB MSE A 123 15.844 -3.610 20.824 1.00 23.47 C HETATM 862 CG MSE A 123 16.978 -4.384 21.482 1.00 29.95 C HETATM 863 SE MSE A 123 16.762 -6.262 21.022 1.00 34.96 S HETATM 864 CE MSE A 123 15.009 -6.513 21.625 1.00 32.77 C HETATM 865 HE3 MSE A 123 14.708 -7.545 21.443 1.00 0.00 H HETATM 866 HE2 MSE A 123 14.342 -5.838 21.089 1.00 0.00 H HETATM 867 HE1 MSE A 123 14.960 -6.302 22.693 1.00 0.00 H HETATM 868 HG2 MSE A 123 17.938 -4.020 21.115 1.00 0.00 H HETATM 869 HG1 MSE A 123 16.933 -4.259 22.564 1.00 0.00 H HETATM 870 HB2 MSE A 123 15.889 -3.790 19.750 1.00 0.00 H HETATM 871 HB1 MSE A 123 14.901 -3.991 21.216 1.00 0.00 H HETATM 872 HA MSE A 123 16.875 -1.706 20.868 1.00 0.00 H HETATM 873 H MSE A 123 15.313 -2.549 23.106 1.00 0.00 H ATOM 874 N GLY A 124 13.699 -1.160 20.431 1.00 23.98 N ATOM 875 CA GLY A 124 12.758 -0.506 19.527 1.00 27.22 C ATOM 876 C GLY A 124 13.277 0.877 19.130 1.00 28.78 C ATOM 877 O GLY A 124 13.389 1.220 17.942 1.00 28.12 O ATOM 878 HA3 GLY A 124 11.795 -0.399 20.026 1.00 0.00 H ATOM 879 HA2 GLY A 124 12.636 -1.115 18.632 1.00 0.00 H ATOM 880 H GLY A 124 13.393 -1.424 21.389 1.00 0.00 H ATOM 881 N THR A 125 13.619 1.661 20.146 1.00 28.18 N ATOM 882 CA THR A 125 14.163 2.992 19.962 1.00 25.79 C ATOM 883 C THR A 125 15.440 2.924 19.108 1.00 28.19 C ATOM 884 O THR A 125 15.623 3.752 18.217 1.00 30.26 O ATOM 885 CB THR A 125 14.488 3.613 21.347 1.00 27.13 C ATOM 886 OG1 THR A 125 13.302 3.574 22.161 1.00 24.51 O ATOM 887 CG2 THR A 125 14.988 5.079 21.225 1.00 17.59 C ATOM 888 HA THR A 125 13.429 3.613 19.449 1.00 0.00 H ATOM 889 HB THR A 125 15.289 3.032 21.803 1.00 0.00 H ATOM 890 HG1 THR A 125 13.011 2.634 22.273 1.00 0.00 H ATOM 891 HG23 THR A 125 15.886 5.105 20.608 1.00 0.00 H ATOM 892 HG21 THR A 125 14.211 5.689 20.764 1.00 0.00 H ATOM 893 HG22 THR A 125 15.216 5.468 22.218 1.00 0.00 H ATOM 894 H THR A 125 13.491 1.305 21.115 1.00 0.00 H ATOM 895 N ILE A 126 16.307 1.933 19.347 1.00 26.36 N ATOM 896 CA ILE A 126 17.565 1.831 18.595 1.00 25.77 C ATOM 897 C ILE A 126 17.292 1.524 17.140 1.00 26.54 C ATOM 898 O ILE A 126 17.926 2.083 16.250 1.00 27.82 O ATOM 899 CB ILE A 126 18.499 0.674 19.085 1.00 27.95 C ATOM 900 CG1 ILE A 126 18.765 0.777 20.578 1.00 28.81 C ATOM 901 CG2 ILE A 126 19.809 0.672 18.258 1.00 15.52 C ATOM 902 CD1 ILE A 126 19.517 1.984 20.975 1.00 39.51 C ATOM 903 HA ILE A 126 18.051 2.795 18.747 1.00 0.00 H ATOM 904 HB ILE A 126 17.997 -0.280 18.925 1.00 0.00 H ATOM 905 HG12 ILE A 126 17.806 0.785 21.097 1.00 0.00 H ATOM 906 HG13 ILE A 126 19.336 -0.099 20.885 1.00 0.00 H ATOM 907 HD11 ILE A 126 20.486 1.988 20.475 1.00 0.00 H ATOM 908 HD12 ILE A 126 18.955 2.872 20.687 1.00 0.00 H ATOM 909 HD13 ILE A 126 19.664 1.980 22.055 1.00 0.00 H ATOM 910 HG21 ILE A 126 19.572 0.523 17.205 1.00 0.00 H ATOM 911 HG22 ILE A 126 20.319 1.627 18.386 1.00 0.00 H ATOM 912 HG23 ILE A 126 20.454 -0.135 18.604 1.00 0.00 H ATOM 913 H ILE A 126 16.087 1.225 20.076 1.00 0.00 H ATOM 914 N LYS A 127 16.371 0.594 16.914 1.00 29.20 N ATOM 915 CA LYS A 127 16.000 0.184 15.565 1.00 31.66 C ATOM 916 C LYS A 127 15.397 1.381 14.822 1.00 31.54 C ATOM 917 O LYS A 127 15.820 1.715 13.716 1.00 31.51 O ATOM 918 CB LYS A 127 14.997 -0.988 15.619 1.00 29.67 C ATOM 919 CG LYS A 127 14.683 -1.592 14.259 1.00 29.25 C ATOM 920 CD LYS A 127 13.913 -2.916 14.342 1.00 35.12 C ATOM 921 CE LYS A 127 12.500 -2.753 14.883 1.00 40.22 C ATOM 922 NZ LYS A 127 11.582 -2.074 13.913 1.00 43.85 N ATOM 923 HA LYS A 127 16.887 -0.157 15.031 1.00 0.00 H ATOM 924 HB2 LYS A 127 15.415 -1.769 16.254 1.00 0.00 H ATOM 925 HB3 LYS A 127 14.067 -0.625 16.057 1.00 0.00 H ATOM 926 HG2 LYS A 127 14.083 -0.878 13.694 1.00 0.00 H ATOM 927 HG3 LYS A 127 15.622 -1.771 13.735 1.00 0.00 H ATOM 928 HD2 LYS A 127 13.854 -3.347 13.342 1.00 0.00 H ATOM 929 HD3 LYS A 127 14.459 -3.595 14.997 1.00 0.00 H ATOM 930 HE2 LYS A 127 12.543 -2.160 15.796 1.00 0.00 H ATOM 931 HE3 LYS A 127 12.098 -3.740 15.111 1.00 0.00 H ATOM 932 HZ1 LYS A 127 11.950 -1.126 13.694 1.00 0.00 H ATOM 933 HZ2 LYS A 127 11.526 -2.636 13.040 1.00 0.00 H ATOM 934 HZ3 LYS A 127 10.635 -1.990 14.334 1.00 0.00 H ATOM 935 H LYS A 127 15.900 0.144 17.725 1.00 0.00 H ATOM 936 N ARG A 128 14.427 2.032 15.448 1.00 32.62 N ATOM 937 CA ARG A 128 13.793 3.190 14.837 1.00 35.61 C ATOM 938 C ARG A 128 14.857 4.226 14.466 1.00 34.75 C ATOM 939 O ARG A 128 14.843 4.764 13.356 1.00 32.75 O ATOM 940 CB ARG A 128 12.752 3.786 15.790 1.00 38.28 C ATOM 941 CG ARG A 128 12.092 5.058 15.276 1.00 47.22 C ATOM 942 CD ARG A 128 10.836 5.412 16.078 1.00 50.65 C ATOM 943 NE ARG A 128 11.094 5.536 17.512 1.00 54.29 N ATOM 944 CZ ARG A 128 10.624 4.689 18.427 1.00 57.46 C ATOM 945 NH1 ARG A 128 9.870 3.650 18.048 1.00 58.18 N ATOM 946 NH2 ARG A 128 10.895 4.885 19.716 1.00 53.24 N ATOM 947 HA ARG A 128 13.279 2.883 13.926 1.00 0.00 H ATOM 948 HB2 ARG A 128 11.975 3.041 15.957 1.00 0.00 H ATOM 949 HB3 ARG A 128 13.244 4.014 16.735 1.00 0.00 H ATOM 950 HG2 ARG A 128 12.803 5.880 15.353 1.00 0.00 H ATOM 951 HG3 ARG A 128 11.815 4.915 14.232 1.00 0.00 H ATOM 952 HD2 ARG A 128 10.093 4.630 15.924 1.00 0.00 H ATOM 953 HD3 ARG A 128 10.444 6.361 15.711 1.00 0.00 H ATOM 954 HE ARG A 128 11.679 6.332 17.837 1.00 0.00 H ATOM 955 HH12 ARG A 128 9.502 2.987 18.760 1.00 0.00 H ATOM 956 HH11 ARG A 128 9.652 3.505 17.041 1.00 0.00 H ATOM 957 HH22 ARG A 128 10.529 4.224 20.431 1.00 0.00 H ATOM 958 HH21 ARG A 128 11.473 5.699 20.008 1.00 0.00 H ATOM 959 H ARG A 128 14.115 1.711 16.387 1.00 0.00 H ATOM 960 N ARG A 129 15.794 4.488 15.380 1.00 32.63 N ATOM 961 CA ARG A 129 16.862 5.446 15.091 1.00 32.31 C ATOM 962 C ARG A 129 17.741 5.046 13.903 1.00 31.38 C ATOM 963 O ARG A 129 18.238 5.905 13.185 1.00 32.63 O ATOM 964 CB ARG A 129 17.740 5.689 16.331 1.00 32.28 C ATOM 965 CG ARG A 129 16.997 6.415 17.440 1.00 30.68 C ATOM 966 CD ARG A 129 17.877 6.679 18.631 1.00 29.91 C ATOM 967 NE ARG A 129 17.218 7.574 19.573 1.00 32.89 N ATOM 968 CZ ARG A 129 17.730 7.972 20.741 1.00 33.33 C ATOM 969 NH1 ARG A 129 18.928 7.564 21.137 1.00 29.31 N ATOM 970 NH2 ARG A 129 17.017 8.769 21.527 1.00 34.60 N ATOM 971 HA ARG A 129 16.356 6.371 14.814 1.00 0.00 H ATOM 972 HB2 ARG A 129 18.082 4.726 16.711 1.00 0.00 H ATOM 973 HB3 ARG A 129 18.602 6.289 16.037 1.00 0.00 H ATOM 974 HG2 ARG A 129 16.632 7.367 17.054 1.00 0.00 H ATOM 975 HG3 ARG A 129 16.151 5.804 17.756 1.00 0.00 H ATOM 976 HD2 ARG A 129 18.807 7.136 18.294 1.00 0.00 H ATOM 977 HD3 ARG A 129 18.097 5.735 19.129 1.00 0.00 H ATOM 978 HE ARG A 129 16.276 7.931 19.316 1.00 0.00 H ATOM 979 HH12 ARG A 129 19.311 7.884 22.049 1.00 0.00 H ATOM 980 HH11 ARG A 129 19.485 6.924 20.535 1.00 0.00 H ATOM 981 HH22 ARG A 129 17.406 9.085 22.438 1.00 0.00 H ATOM 982 HH21 ARG A 129 16.069 9.078 21.232 1.00 0.00 H ATOM 983 H ARG A 129 15.765 4.009 16.303 1.00 0.00 H ATOM 984 N LEU A 130 17.956 3.752 13.698 1.00 33.11 N ATOM 985 CA LEU A 130 18.758 3.312 12.557 1.00 34.37 C ATOM 986 C LEU A 130 17.912 3.431 11.259 1.00 36.84 C ATOM 987 O LEU A 130 18.447 3.631 10.174 1.00 36.07 O ATOM 988 CB LEU A 130 19.212 1.857 12.743 1.00 33.63 C ATOM 989 CG LEU A 130 20.234 1.514 13.829 1.00 33.59 C ATOM 990 CD1 LEU A 130 20.092 0.046 14.210 1.00 30.03 C ATOM 991 CD2 LEU A 130 21.640 1.828 13.343 1.00 32.61 C ATOM 992 HA LEU A 130 19.643 3.945 12.484 1.00 0.00 H ATOM 993 HB2 LEU A 130 18.317 1.271 12.954 1.00 0.00 H ATOM 994 HB3 LEU A 130 19.640 1.535 11.793 1.00 0.00 H ATOM 995 HG LEU A 130 20.048 2.120 14.715 1.00 0.00 H ATOM 996 HD21 LEU A 130 21.855 1.240 12.451 1.00 0.00 H ATOM 997 HD22 LEU A 130 21.712 2.889 13.106 1.00 0.00 H ATOM 998 HD23 LEU A 130 22.357 1.579 14.125 1.00 0.00 H ATOM 999 HD11 LEU A 130 19.085 -0.135 14.586 1.00 0.00 H ATOM 1000 HD12 LEU A 130 20.270 -0.575 13.332 1.00 0.00 H ATOM 1001 HD13 LEU A 130 20.820 -0.199 14.984 1.00 0.00 H ATOM 1002 H LEU A 130 17.553 3.050 14.350 1.00 0.00 H ATOM 1003 N GLU A 131 16.593 3.310 11.382 1.00 36.21 N ATOM 1004 CA GLU A 131 15.721 3.408 10.225 1.00 36.76 C ATOM 1005 C GLU A 131 15.490 4.860 9.834 1.00 42.40 C ATOM 1006 O GLU A 131 15.026 5.127 8.732 1.00 46.62 O ATOM 1007 CB GLU A 131 14.382 2.725 10.506 1.00 32.78 C ATOM 1008 CG GLU A 131 14.534 1.269 10.868 1.00 31.87 C ATOM 1009 CD GLU A 131 13.255 0.598 11.332 1.00 32.48 C ATOM 1010 OE1 GLU A 131 12.306 1.303 11.747 1.00 37.97 O ATOM 1011 OE2 GLU A 131 13.220 -0.660 11.312 1.00 36.74 O ATOM 1012 HA GLU A 131 16.212 2.902 9.394 1.00 0.00 H ATOM 1013 HB2 GLU A 131 13.894 3.241 11.333 1.00 0.00 H ATOM 1014 HB3 GLU A 131 13.759 2.800 9.615 1.00 0.00 H ATOM 1015 HG2 GLU A 131 14.899 0.736 9.990 1.00 0.00 H ATOM 1016 HG3 GLU A 131 15.269 1.192 11.669 1.00 0.00 H ATOM 1017 H GLU A 131 16.180 3.143 12.322 1.00 0.00 H ATOM 1018 N ASN A 132 15.807 5.810 10.713 1.00 43.58 N ATOM 1019 CA ASN A 132 15.618 7.211 10.341 1.00 44.46 C ATOM 1020 C ASN A 132 16.918 7.996 10.165 1.00 44.80 C ATOM 1021 O ASN A 132 16.904 9.220 10.070 1.00 44.51 O ATOM 1022 CB ASN A 132 14.716 7.912 11.354 1.00 46.12 C ATOM 1023 CG ASN A 132 13.378 7.224 11.501 1.00 47.99 C ATOM 1024 OD1 ASN A 132 12.891 6.590 10.566 1.00 51.65 O ATOM 1025 ND2 ASN A 132 12.772 7.349 12.671 1.00 48.02 N ATOM 1026 HA ASN A 132 15.143 7.194 9.360 1.00 0.00 H ATOM 1027 HB2 ASN A 132 15.215 7.919 12.323 1.00 0.00 H ATOM 1028 HB3 ASN A 132 14.549 8.938 11.025 1.00 0.00 H ATOM 1029 HD22 ASN A 132 13.221 7.895 13.434 1.00 0.00 H ATOM 1030 HD21 ASN A 132 11.846 6.901 12.828 1.00 0.00 H ATOM 1031 H ASN A 132 16.183 5.559 11.649 1.00 0.00 H ATOM 1032 N ASN A 133 18.044 7.296 10.097 1.00 46.40 N ATOM 1033 CA ASN A 133 19.318 7.975 9.947 1.00 47.50 C ATOM 1034 C ASN A 133 19.601 8.924 11.099 1.00 46.94 C ATOM 1035 O ASN A 133 20.209 9.978 10.914 1.00 47.93 O ATOM 1036 CB ASN A 133 19.333 8.759 8.648 1.00 53.75 C ATOM 1037 CG ASN A 133 19.487 7.869 7.457 1.00 58.91 C ATOM 1038 OD1 ASN A 133 18.799 6.849 7.340 1.00 61.83 O ATOM 1039 ND2 ASN A 133 20.394 8.239 6.556 1.00 61.57 N ATOM 1040 HA ASN A 133 20.093 7.209 9.941 1.00 0.00 H ATOM 1041 HB2 ASN A 133 18.396 9.309 8.558 1.00 0.00 H ATOM 1042 HB3 ASN A 133 20.165 9.463 8.671 1.00 0.00 H ATOM 1043 HD22 ASN A 133 20.948 9.107 6.702 1.00 0.00 H ATOM 1044 HD21 ASN A 133 20.549 7.660 5.706 1.00 0.00 H ATOM 1045 H ASN A 133 18.013 6.258 10.151 1.00 0.00 H ATOM 1046 N TYR A 134 19.170 8.547 12.295 1.00 44.30 N ATOM 1047 CA TYR A 134 19.388 9.377 13.466 1.00 41.46 C ATOM 1048 C TYR A 134 20.851 9.444 13.848 1.00 40.54 C ATOM 1049 O TYR A 134 21.343 10.491 14.249 1.00 42.15 O ATOM 1050 CB TYR A 134 18.587 8.830 14.638 1.00 42.99 C ATOM 1051 CG TYR A 134 18.931 9.479 15.938 1.00 47.09 C ATOM 1052 CD1 TYR A 134 18.418 10.734 16.279 1.00 47.78 C ATOM 1053 CD2 TYR A 134 19.795 8.849 16.832 1.00 45.29 C ATOM 1054 CE1 TYR A 134 18.763 11.338 17.490 1.00 49.03 C ATOM 1055 CE2 TYR A 134 20.144 9.437 18.022 1.00 45.95 C ATOM 1056 CZ TYR A 134 19.631 10.680 18.356 1.00 50.74 C ATOM 1057 OH TYR A 134 20.015 11.246 19.558 1.00 52.86 O ATOM 1058 HA TYR A 134 19.058 10.386 13.220 1.00 0.00 H ATOM 1059 HB3 TYR A 134 18.781 7.761 14.722 1.00 0.00 H ATOM 1060 HB2 TYR A 134 17.527 8.991 14.439 1.00 0.00 H ATOM 1061 HD2 TYR A 134 20.202 7.869 16.581 1.00 0.00 H ATOM 1062 HE2 TYR A 134 20.824 8.927 18.704 1.00 0.00 H ATOM 1063 HE1 TYR A 134 18.357 12.314 17.754 1.00 0.00 H ATOM 1064 HD1 TYR A 134 17.743 11.246 15.593 1.00 0.00 H ATOM 1065 HH TYR A 134 19.574 12.126 19.663 1.00 0.00 H ATOM 1066 H TYR A 134 18.668 7.642 12.396 1.00 0.00 H ATOM 1067 N TYR A 135 21.549 8.324 13.715 1.00 40.24 N ATOM 1068 CA TYR A 135 22.957 8.244 14.089 1.00 41.89 C ATOM 1069 C TYR A 135 23.910 8.802 13.044 1.00 43.66 C ATOM 1070 O TYR A 135 23.690 8.652 11.846 1.00 44.16 O ATOM 1071 CB TYR A 135 23.346 6.785 14.378 1.00 37.93 C ATOM 1072 CG TYR A 135 22.597 6.144 15.527 1.00 33.83 C ATOM 1073 CD1 TYR A 135 22.691 6.660 16.825 1.00 34.94 C ATOM 1074 CD2 TYR A 135 21.845 5.002 15.334 1.00 27.59 C ATOM 1075 CE1 TYR A 135 22.051 6.043 17.902 1.00 30.45 C ATOM 1076 CE2 TYR A 135 21.206 4.375 16.394 1.00 29.84 C ATOM 1077 CZ TYR A 135 21.313 4.897 17.678 1.00 30.62 C ATOM 1078 OH TYR A 135 20.701 4.254 18.735 1.00 23.92 O ATOM 1079 HA TYR A 135 23.057 8.865 14.979 1.00 0.00 H ATOM 1080 HB3 TYR A 135 24.411 6.757 14.609 1.00 0.00 H ATOM 1081 HB2 TYR A 135 23.155 6.198 13.479 1.00 0.00 H ATOM 1082 HD2 TYR A 135 21.752 4.586 14.331 1.00 0.00 H ATOM 1083 HE2 TYR A 135 20.620 3.473 16.220 1.00 0.00 H ATOM 1084 HE1 TYR A 135 22.133 6.460 18.906 1.00 0.00 H ATOM 1085 HD1 TYR A 135 23.276 7.563 16.999 1.00 0.00 H ATOM 1086 HH TYR A 135 20.876 4.755 19.571 1.00 0.00 H ATOM 1087 H TYR A 135 21.079 7.478 13.333 1.00 0.00 H ATOM 1088 N TRP A 136 24.976 9.442 13.510 1.00 45.57 N ATOM 1089 CA TRP A 136 25.974 9.987 12.615 1.00 46.91 C ATOM 1090 C TRP A 136 27.087 8.960 12.448 1.00 46.75 C ATOM 1091 O TRP A 136 27.648 8.796 11.351 1.00 46.70 O ATOM 1092 CB TRP A 136 26.554 11.291 13.171 1.00 51.46 C ATOM 1093 CG TRP A 136 27.792 11.712 12.427 1.00 60.29 C ATOM 1094 CD1 TRP A 136 29.098 11.471 12.786 1.00 62.73 C ATOM 1095 CD2 TRP A 136 27.843 12.352 11.145 1.00 63.54 C ATOM 1096 NE1 TRP A 136 29.949 11.918 11.803 1.00 63.69 N ATOM 1097 CE2 TRP A 136 29.209 12.463 10.785 1.00 64.18 C ATOM 1098 CE3 TRP A 136 26.866 12.841 10.262 1.00 65.36 C ATOM 1099 CZ2 TRP A 136 29.623 13.041 9.579 1.00 65.16 C ATOM 1100 CZ3 TRP A 136 27.282 13.417 9.060 1.00 68.12 C ATOM 1101 CH2 TRP A 136 28.652 13.510 8.734 1.00 65.49 C ATOM 1102 HA TRP A 136 25.511 10.207 11.653 1.00 0.00 H ATOM 1103 HB2 TRP A 136 25.804 12.077 13.083 1.00 0.00 H ATOM 1104 HB3 TRP A 136 26.805 11.146 14.222 1.00 0.00 H ATOM 1105 HE1 TRP A 136 30.987 11.853 11.827 1.00 0.00 H ATOM 1106 HD1 TRP A 136 29.412 10.995 13.715 1.00 0.00 H ATOM 1107 HZ2 TRP A 136 30.680 13.115 9.322 1.00 0.00 H ATOM 1108 HH2 TRP A 136 28.944 13.966 7.788 1.00 0.00 H ATOM 1109 HZ3 TRP A 136 26.537 13.801 8.363 1.00 0.00 H ATOM 1110 HE3 TRP A 136 25.807 12.772 10.510 1.00 0.00 H ATOM 1111 H TRP A 136 25.096 9.554 14.537 1.00 0.00 H ATOM 1112 N ALA A 137 27.405 8.267 13.541 1.00 44.43 N ATOM 1113 CA ALA A 137 28.462 7.254 13.526 1.00 44.06 C ATOM 1114 C ALA A 137 28.021 6.009 14.278 1.00 42.19 C ATOM 1115 O ALA A 137 27.191 6.084 15.182 1.00 43.19 O ATOM 1116 CB ALA A 137 29.735 7.817 14.147 1.00 43.76 C ATOM 1117 HA ALA A 137 28.663 6.979 12.490 1.00 0.00 H ATOM 1118 HB1 ALA A 137 30.063 8.686 13.576 1.00 0.00 H ATOM 1119 HB2 ALA A 137 29.536 8.112 15.177 1.00 0.00 H ATOM 1120 HB3 ALA A 137 30.514 7.055 14.130 1.00 0.00 H ATOM 1121 H ALA A 137 26.890 8.450 14.426 1.00 0.00 H ATOM 1122 N ALA A 138 28.583 4.865 13.910 1.00 41.73 N ATOM 1123 CA ALA A 138 28.219 3.605 14.551 1.00 40.95 C ATOM 1124 C ALA A 138 28.472 3.621 16.057 1.00 37.27 C ATOM 1125 O ALA A 138 27.711 3.033 16.826 1.00 36.75 O ATOM 1126 CB ALA A 138 28.973 2.433 13.894 1.00 41.12 C ATOM 1127 HA ALA A 138 27.147 3.471 14.408 1.00 0.00 H ATOM 1128 HB1 ALA A 138 28.713 2.383 12.837 1.00 0.00 H ATOM 1129 HB2 ALA A 138 30.047 2.589 13.999 1.00 0.00 H ATOM 1130 HB3 ALA A 138 28.690 1.501 14.383 1.00 0.00 H ATOM 1131 H ALA A 138 29.295 4.866 13.152 1.00 0.00 H ATOM 1132 N SER A 139 29.532 4.296 16.482 1.00 36.19 N ATOM 1133 CA SER A 139 29.842 4.352 17.903 1.00 34.77 C ATOM 1134 C SER A 139 28.679 4.920 18.712 1.00 33.36 C ATOM 1135 O SER A 139 28.430 4.461 19.822 1.00 29.21 O ATOM 1136 CB SER A 139 31.101 5.190 18.164 1.00 36.39 C ATOM 1137 OG SER A 139 30.887 6.549 17.837 1.00 36.01 O ATOM 1138 HA SER A 139 30.022 3.326 18.225 1.00 0.00 H ATOM 1139 HB2 SER A 139 31.919 4.802 17.557 1.00 0.00 H ATOM 1140 HB3 SER A 139 31.366 5.115 19.219 1.00 0.00 H ATOM 1141 HG SER A 139 31.713 7.064 18.015 1.00 0.00 H ATOM 1142 H SER A 139 30.143 4.786 15.798 1.00 0.00 H ATOM 1143 N GLU A 140 27.967 5.916 18.172 1.00 32.17 N ATOM 1144 CA GLU A 140 26.843 6.484 18.919 1.00 33.32 C ATOM 1145 C GLU A 140 25.736 5.435 19.121 1.00 31.95 C ATOM 1146 O GLU A 140 25.010 5.457 20.133 1.00 30.77 O ATOM 1147 CB GLU A 140 26.219 7.689 18.212 1.00 33.99 C ATOM 1148 CG GLU A 140 27.132 8.531 17.360 1.00 40.36 C ATOM 1149 CD GLU A 140 26.352 9.620 16.627 1.00 41.03 C ATOM 1150 OE1 GLU A 140 25.130 9.452 16.413 1.00 41.13 O ATOM 1151 OE2 GLU A 140 26.958 10.644 16.264 1.00 48.30 O ATOM 1152 HA GLU A 140 27.253 6.805 19.877 1.00 0.00 H ATOM 1153 HB2 GLU A 140 25.421 7.317 17.570 1.00 0.00 H ATOM 1154 HB3 GLU A 140 25.795 8.337 18.979 1.00 0.00 H ATOM 1155 HG2 GLU A 140 27.883 8.998 17.997 1.00 0.00 H ATOM 1156 HG3 GLU A 140 27.625 7.892 16.628 1.00 0.00 H ATOM 1157 H GLU A 140 28.210 6.283 17.230 1.00 0.00 H ATOM 1158 N CYS A 141 25.602 4.537 18.148 1.00 27.41 N ATOM 1159 CA CYS A 141 24.597 3.484 18.213 1.00 27.36 C ATOM 1160 C CYS A 141 25.042 2.389 19.201 1.00 24.11 C ATOM 1161 O CYS A 141 24.245 1.871 20.000 1.00 23.01 O ATOM 1162 CB CYS A 141 24.378 2.891 16.811 1.00 28.53 C ATOM 1163 SG CYS A 141 23.509 1.306 16.794 1.00 29.27 S ATOM 1164 HA CYS A 141 23.656 3.905 18.567 1.00 0.00 H ATOM 1165 HB2 CYS A 141 25.353 2.750 16.345 1.00 0.00 H ATOM 1166 HB3 CYS A 141 23.797 3.604 16.226 1.00 0.00 H ATOM 1167 HG CYS A 141 23.370 0.873 15.491 1.00 0.00 H ATOM 1168 H CYS A 141 26.230 4.588 17.321 1.00 0.00 H HETATM 1169 N MSE A 142 26.318 2.038 19.153 1.00 25.31 N HETATM 1170 CA MSE A 142 26.845 1.020 20.069 1.00 25.73 C HETATM 1171 C MSE A 142 26.653 1.480 21.509 1.00 25.36 C HETATM 1172 O MSE A 142 26.363 0.678 22.396 1.00 25.78 O HETATM 1173 CB MSE A 142 28.324 0.765 19.785 1.00 22.86 C HETATM 1174 CG MSE A 142 28.555 0.033 18.482 1.00 23.28 C HETATM 1175 SE MSE A 142 30.364 0.099 17.853 1.00 35.21 S HETATM 1176 CE MSE A 142 31.285 -0.366 19.499 1.00 25.76 C HETATM 1177 HE3 MSE A 142 32.360 -0.377 19.322 1.00 0.00 H HETATM 1178 HE2 MSE A 142 30.960 -1.353 19.829 1.00 0.00 H HETATM 1179 HE1 MSE A 142 31.049 0.371 20.266 1.00 0.00 H HETATM 1180 HG2 MSE A 142 28.280 -1.012 18.623 1.00 0.00 H HETATM 1181 HG1 MSE A 142 27.912 0.477 17.722 1.00 0.00 H HETATM 1182 HB2 MSE A 142 28.737 0.167 20.598 1.00 0.00 H HETATM 1183 HB1 MSE A 142 28.841 1.724 19.742 1.00 0.00 H HETATM 1184 HA MSE A 142 26.301 0.088 19.917 1.00 0.00 H HETATM 1185 H MSE A 142 26.951 2.487 18.461 1.00 0.00 H ATOM 1186 N GLN A 143 26.784 2.787 21.715 1.00 25.88 N ATOM 1187 CA GLN A 143 26.645 3.407 23.027 1.00 25.70 C ATOM 1188 C GLN A 143 25.206 3.222 23.551 1.00 25.03 C ATOM 1189 O GLN A 143 24.978 3.004 24.743 1.00 24.71 O ATOM 1190 CB GLN A 143 26.994 4.889 22.894 1.00 29.82 C ATOM 1191 CG GLN A 143 27.849 5.461 23.997 1.00 43.19 C ATOM 1192 CD GLN A 143 29.019 4.559 24.391 1.00 45.88 C ATOM 1193 OE1 GLN A 143 28.913 3.784 25.348 1.00 49.14 O ATOM 1194 NE2 GLN A 143 30.136 4.660 23.659 1.00 42.60 N ATOM 1195 HA GLN A 143 27.319 2.937 23.743 1.00 0.00 H ATOM 1196 HB2 GLN A 143 27.526 5.025 21.953 1.00 0.00 H ATOM 1197 HB3 GLN A 143 26.061 5.452 22.867 1.00 0.00 H ATOM 1198 HG2 GLN A 143 28.248 6.419 23.663 1.00 0.00 H ATOM 1199 HG3 GLN A 143 27.222 5.616 24.875 1.00 0.00 H ATOM 1200 HE22 GLN A 143 30.177 5.327 22.862 1.00 0.00 H ATOM 1201 HE21 GLN A 143 30.962 4.071 23.887 1.00 0.00 H ATOM 1202 H GLN A 143 26.996 3.397 20.900 1.00 0.00 H ATOM 1203 N ASP A 144 24.236 3.315 22.654 1.00 23.49 N ATOM 1204 CA ASP A 144 22.844 3.115 23.040 1.00 22.32 C ATOM 1205 C ASP A 144 22.634 1.648 23.455 1.00 20.42 C ATOM 1206 O ASP A 144 21.984 1.381 24.445 1.00 22.94 O ATOM 1207 CB ASP A 144 21.912 3.499 21.878 1.00 22.73 C ATOM 1208 CG ASP A 144 21.640 5.000 21.814 1.00 25.75 C ATOM 1209 OD1 ASP A 144 22.007 5.717 22.767 1.00 27.23 O ATOM 1210 OD2 ASP A 144 21.041 5.465 20.821 1.00 27.09 O ATOM 1211 HA ASP A 144 22.604 3.756 23.889 1.00 0.00 H ATOM 1212 HB2 ASP A 144 22.375 3.188 20.942 1.00 0.00 H ATOM 1213 HB3 ASP A 144 20.963 2.977 22.004 1.00 0.00 H ATOM 1214 H ASP A 144 24.469 3.533 21.664 1.00 0.00 H ATOM 1215 N PHE A 145 23.171 0.701 22.694 1.00 17.30 N ATOM 1216 CA PHE A 145 23.059 -0.709 23.078 1.00 23.40 C ATOM 1217 C PHE A 145 23.660 -0.865 24.491 1.00 22.32 C ATOM 1218 O PHE A 145 23.044 -1.441 25.384 1.00 23.41 O ATOM 1219 CB PHE A 145 23.862 -1.608 22.125 1.00 19.22 C ATOM 1220 CG PHE A 145 23.132 -2.010 20.900 1.00 23.44 C ATOM 1221 CD1 PHE A 145 22.150 -2.997 20.950 1.00 21.94 C ATOM 1222 CD2 PHE A 145 23.465 -1.449 19.659 1.00 27.66 C ATOM 1223 CE1 PHE A 145 21.497 -3.442 19.776 1.00 24.39 C ATOM 1224 CE2 PHE A 145 22.819 -1.888 18.483 1.00 28.21 C ATOM 1225 CZ PHE A 145 21.838 -2.888 18.548 1.00 25.40 C ATOM 1226 HA PHE A 145 22.010 -1.002 23.043 1.00 0.00 H ATOM 1227 HB2 PHE A 145 24.761 -1.070 21.825 1.00 0.00 H ATOM 1228 HB3 PHE A 145 24.144 -2.511 22.666 1.00 0.00 H ATOM 1229 HD2 PHE A 145 24.226 -0.671 19.602 1.00 0.00 H ATOM 1230 HE2 PHE A 145 23.084 -1.448 17.521 1.00 0.00 H ATOM 1231 HZ PHE A 145 21.344 -3.230 17.638 1.00 0.00 H ATOM 1232 HE1 PHE A 145 20.731 -4.215 19.835 1.00 0.00 H ATOM 1233 HD1 PHE A 145 21.880 -3.435 21.911 1.00 0.00 H ATOM 1234 H PHE A 145 23.673 0.961 21.821 1.00 0.00 H ATOM 1235 N ASN A 146 24.861 -0.339 24.683 1.00 21.46 N ATOM 1236 CA ASN A 146 25.528 -0.446 25.984 1.00 22.52 C ATOM 1237 C ASN A 146 24.654 0.118 27.110 1.00 23.06 C ATOM 1238 O ASN A 146 24.518 -0.518 28.156 1.00 21.21 O ATOM 1239 CB ASN A 146 26.880 0.266 25.966 1.00 19.57 C ATOM 1240 CG ASN A 146 27.649 0.068 27.255 1.00 24.15 C ATOM 1241 OD1 ASN A 146 28.216 -1.009 27.511 1.00 27.10 O ATOM 1242 ND2 ASN A 146 27.659 1.094 28.088 1.00 21.66 N ATOM 1243 HA ASN A 146 25.692 -1.506 26.177 1.00 0.00 H ATOM 1244 HB2 ASN A 146 27.473 -0.127 25.140 1.00 0.00 H ATOM 1245 HB3 ASN A 146 26.713 1.333 25.817 1.00 0.00 H ATOM 1246 HD22 ASN A 146 27.171 1.976 27.832 1.00 0.00 H ATOM 1247 HD21 ASN A 146 28.155 1.019 28.999 1.00 0.00 H ATOM 1248 H ASN A 146 25.336 0.156 23.901 1.00 0.00 H ATOM 1249 N THR A 147 24.037 1.282 26.891 1.00 21.32 N ATOM 1250 CA THR A 147 23.178 1.882 27.916 1.00 20.10 C ATOM 1251 C THR A 147 21.986 0.976 28.268 1.00 19.92 C ATOM 1252 O THR A 147 21.612 0.809 29.432 1.00 16.24 O ATOM 1253 CB THR A 147 22.623 3.264 27.463 1.00 19.62 C ATOM 1254 OG1 THR A 147 23.700 4.203 27.339 1.00 18.21 O ATOM 1255 CG2 THR A 147 21.628 3.783 28.476 1.00 17.04 C ATOM 1256 HA THR A 147 23.808 2.010 28.796 1.00 0.00 H ATOM 1257 HB THR A 147 22.128 3.143 26.499 1.00 0.00 H ATOM 1258 HG1 THR A 147 23.341 5.079 27.051 1.00 0.00 H ATOM 1259 HG23 THR A 147 20.807 3.073 28.574 1.00 0.00 H ATOM 1260 HG21 THR A 147 22.122 3.904 29.440 1.00 0.00 H ATOM 1261 HG22 THR A 147 21.240 4.745 28.142 1.00 0.00 H ATOM 1262 H THR A 147 24.168 1.769 25.981 1.00 0.00 H HETATM 1263 N MSE A 148 21.363 0.411 27.245 1.00 19.80 N HETATM 1264 CA MSE A 148 20.247 -0.481 27.485 1.00 16.44 C HETATM 1265 C MSE A 148 20.741 -1.640 28.378 1.00 17.86 C HETATM 1266 O MSE A 148 20.133 -1.959 29.390 1.00 17.87 O HETATM 1267 CB MSE A 148 19.731 -1.018 26.152 1.00 17.50 C HETATM 1268 CG MSE A 148 18.775 -2.221 26.274 1.00 19.57 C HETATM 1269 SE MSE A 148 18.224 -2.779 24.518 1.00 25.42 S HETATM 1270 CE MSE A 148 19.678 -3.961 24.130 1.00 21.66 C HETATM 1271 HE3 MSE A 148 19.539 -4.392 23.138 1.00 0.00 H HETATM 1272 HE2 MSE A 148 19.705 -4.758 24.873 1.00 0.00 H HETATM 1273 HE1 MSE A 148 20.615 -3.404 24.158 1.00 0.00 H HETATM 1274 HG2 MSE A 148 19.287 -3.044 26.773 1.00 0.00 H HETATM 1275 HG1 MSE A 148 17.900 -1.933 26.856 1.00 0.00 H HETATM 1276 HB2 MSE A 148 20.589 -1.324 25.553 1.00 0.00 H HETATM 1277 HB1 MSE A 148 19.202 -0.213 25.642 1.00 0.00 H HETATM 1278 HA MSE A 148 19.433 0.045 27.983 1.00 0.00 H HETATM 1279 H MSE A 148 21.674 0.607 26.272 1.00 0.00 H ATOM 1280 N PHE A 149 21.846 -2.268 28.004 1.00 15.03 N ATOM 1281 CA PHE A 149 22.346 -3.375 28.810 1.00 20.48 C ATOM 1282 C PHE A 149 22.724 -2.906 30.217 1.00 20.96 C ATOM 1283 O PHE A 149 22.329 -3.506 31.236 1.00 19.89 O ATOM 1284 CB PHE A 149 23.552 -4.025 28.129 1.00 18.77 C ATOM 1285 CG PHE A 149 23.212 -4.746 26.841 1.00 19.69 C ATOM 1286 CD1 PHE A 149 22.125 -5.616 26.783 1.00 20.96 C ATOM 1287 CD2 PHE A 149 24.020 -4.609 25.712 1.00 22.86 C ATOM 1288 CE1 PHE A 149 21.839 -6.350 25.621 1.00 21.48 C ATOM 1289 CE2 PHE A 149 23.746 -5.343 24.534 1.00 27.96 C ATOM 1290 CZ PHE A 149 22.651 -6.216 24.495 1.00 22.13 C ATOM 1291 HA PHE A 149 21.549 -4.113 28.901 1.00 0.00 H ATOM 1292 HB2 PHE A 149 24.281 -3.247 27.905 1.00 0.00 H ATOM 1293 HB3 PHE A 149 23.991 -4.744 28.820 1.00 0.00 H ATOM 1294 HD2 PHE A 149 24.872 -3.929 25.738 1.00 0.00 H ATOM 1295 HE2 PHE A 149 24.385 -5.230 23.659 1.00 0.00 H ATOM 1296 HZ PHE A 149 22.435 -6.786 23.591 1.00 0.00 H ATOM 1297 HE1 PHE A 149 20.983 -7.024 25.599 1.00 0.00 H ATOM 1298 HD1 PHE A 149 21.484 -5.729 27.657 1.00 0.00 H ATOM 1299 H PHE A 149 22.352 -1.974 27.144 1.00 0.00 H ATOM 1300 N THR A 150 23.466 -1.811 30.278 1.00 17.66 N ATOM 1301 CA THR A 150 23.880 -1.305 31.569 1.00 20.35 C ATOM 1302 C THR A 150 22.718 -0.957 32.496 1.00 20.06 C ATOM 1303 O THR A 150 22.777 -1.231 33.694 1.00 21.60 O ATOM 1304 CB THR A 150 24.835 -0.138 31.383 1.00 16.05 C ATOM 1305 OG1 THR A 150 25.981 -0.634 30.680 1.00 23.35 O ATOM 1306 CG2 THR A 150 25.295 0.410 32.729 1.00 19.24 C ATOM 1307 HA THR A 150 24.404 -2.114 32.079 1.00 0.00 H ATOM 1308 HB THR A 150 24.334 0.662 30.837 1.00 0.00 H ATOM 1309 HG1 THR A 150 25.698 -0.995 29.803 1.00 0.00 H ATOM 1310 HG23 THR A 150 24.434 0.792 33.278 1.00 0.00 H ATOM 1311 HG21 THR A 150 25.768 -0.387 33.302 1.00 0.00 H ATOM 1312 HG22 THR A 150 26.011 1.216 32.566 1.00 0.00 H ATOM 1313 H THR A 150 23.749 -1.319 29.406 1.00 0.00 H ATOM 1314 N ASN A 151 21.661 -0.364 31.952 1.00 21.30 N ATOM 1315 CA ASN A 151 20.483 -0.040 32.759 1.00 22.25 C ATOM 1316 C ASN A 151 19.950 -1.252 33.494 1.00 22.06 C ATOM 1317 O ASN A 151 19.545 -1.171 34.658 1.00 23.45 O ATOM 1318 CB ASN A 151 19.366 0.522 31.878 1.00 19.91 C ATOM 1319 CG ASN A 151 19.662 1.931 31.448 1.00 24.39 C ATOM 1320 OD1 ASN A 151 20.492 2.587 32.062 1.00 21.62 O ATOM 1321 ND2 ASN A 151 19.002 2.407 30.403 1.00 22.35 N ATOM 1322 HA ASN A 151 20.799 0.705 33.490 1.00 0.00 H ATOM 1323 HB2 ASN A 151 19.263 -0.105 30.992 1.00 0.00 H ATOM 1324 HB3 ASN A 151 18.432 0.511 32.440 1.00 0.00 H ATOM 1325 HD22 ASN A 151 18.305 1.811 29.913 1.00 0.00 H ATOM 1326 HD21 ASN A 151 19.181 3.377 30.073 1.00 0.00 H ATOM 1327 H ASN A 151 21.670 -0.127 30.939 1.00 0.00 H ATOM 1328 N CYS A 152 19.956 -2.377 32.796 1.00 22.10 N ATOM 1329 CA CYS A 152 19.473 -3.622 33.337 1.00 22.59 C ATOM 1330 C CYS A 152 20.350 -4.145 34.476 1.00 21.96 C ATOM 1331 O CYS A 152 19.840 -4.591 35.501 1.00 21.83 O ATOM 1332 CB CYS A 152 19.359 -4.626 32.174 1.00 29.19 C ATOM 1333 SG CYS A 152 18.666 -6.227 32.556 1.00 37.34 S ATOM 1334 HA CYS A 152 18.493 -3.470 33.790 1.00 0.00 H ATOM 1335 HB2 CYS A 152 20.362 -4.787 31.777 1.00 0.00 H ATOM 1336 HB3 CYS A 152 18.734 -4.171 31.405 1.00 0.00 H ATOM 1337 HG CYS A 152 18.636 -6.998 31.412 1.00 0.00 H ATOM 1338 H CYS A 152 20.322 -2.362 31.823 1.00 0.00 H ATOM 1339 N TYR A 153 21.671 -4.081 34.323 1.00 22.34 N ATOM 1340 CA TYR A 153 22.557 -4.580 35.375 1.00 19.75 C ATOM 1341 C TYR A 153 22.480 -3.664 36.598 1.00 24.79 C ATOM 1342 O TYR A 153 22.507 -4.148 37.718 1.00 22.96 O ATOM 1343 CB TYR A 153 24.009 -4.644 34.899 1.00 21.12 C ATOM 1344 CG TYR A 153 24.229 -5.397 33.611 1.00 20.52 C ATOM 1345 CD1 TYR A 153 23.608 -6.642 33.377 1.00 22.49 C ATOM 1346 CD2 TYR A 153 25.079 -4.891 32.633 1.00 16.30 C ATOM 1347 CE1 TYR A 153 23.842 -7.357 32.188 1.00 16.84 C ATOM 1348 CE2 TYR A 153 25.319 -5.602 31.455 1.00 18.04 C ATOM 1349 CZ TYR A 153 24.698 -6.832 31.244 1.00 16.62 C ATOM 1350 OH TYR A 153 24.981 -7.545 30.095 1.00 22.26 O ATOM 1351 HA TYR A 153 22.228 -5.586 35.634 1.00 0.00 H ATOM 1352 HB3 TYR A 153 24.599 -5.128 35.678 1.00 0.00 H ATOM 1353 HB2 TYR A 153 24.363 -3.623 34.758 1.00 0.00 H ATOM 1354 HD2 TYR A 153 25.564 -3.927 32.788 1.00 0.00 H ATOM 1355 HE2 TYR A 153 25.992 -5.195 30.700 1.00 0.00 H ATOM 1356 HE1 TYR A 153 23.352 -8.315 32.015 1.00 0.00 H ATOM 1357 HD1 TYR A 153 22.937 -7.056 34.129 1.00 0.00 H ATOM 1358 HH TYR A 153 25.949 -7.750 30.065 1.00 0.00 H ATOM 1359 H TYR A 153 22.074 -3.676 33.454 1.00 0.00 H ATOM 1360 N ILE A 154 22.384 -2.348 36.373 1.00 22.38 N ATOM 1361 CA ILE A 154 22.295 -1.377 37.462 1.00 21.11 C ATOM 1362 C ILE A 154 21.004 -1.498 38.298 1.00 23.03 C ATOM 1363 O ILE A 154 21.051 -1.560 39.520 1.00 25.98 O ATOM 1364 CB ILE A 154 22.307 0.110 36.953 1.00 22.65 C ATOM 1365 CG1 ILE A 154 23.635 0.486 36.288 1.00 22.90 C ATOM 1366 CG2 ILE A 154 22.004 1.018 38.101 1.00 12.89 C ATOM 1367 CD1 ILE A 154 24.821 0.184 37.113 1.00 35.35 C ATOM 1368 HA ILE A 154 23.173 -1.609 38.064 1.00 0.00 H ATOM 1369 HB ILE A 154 21.541 0.219 36.185 1.00 0.00 H ATOM 1370 HG12 ILE A 154 23.719 -0.065 35.351 1.00 0.00 H ATOM 1371 HG13 ILE A 154 23.624 1.556 36.079 1.00 0.00 H ATOM 1372 HD11 ILE A 154 24.760 0.737 38.051 1.00 0.00 H ATOM 1373 HD12 ILE A 154 24.854 -0.885 37.322 1.00 0.00 H ATOM 1374 HD13 ILE A 154 25.721 0.479 36.574 1.00 0.00 H ATOM 1375 HG21 ILE A 154 21.022 0.775 38.506 1.00 0.00 H ATOM 1376 HG22 ILE A 154 22.760 0.887 38.875 1.00 0.00 H ATOM 1377 HG23 ILE A 154 22.010 2.052 37.756 1.00 0.00 H ATOM 1378 H ILE A 154 22.372 -2.005 35.391 1.00 0.00 H ATOM 1379 N TYR A 155 19.858 -1.494 37.630 1.00 22.78 N ATOM 1380 CA TYR A 155 18.562 -1.543 38.308 1.00 27.43 C ATOM 1381 C TYR A 155 18.108 -2.842 38.965 1.00 26.94 C ATOM 1382 O TYR A 155 17.583 -2.827 40.077 1.00 27.15 O ATOM 1383 CB TYR A 155 17.452 -1.125 37.345 1.00 28.86 C ATOM 1384 CG TYR A 155 16.076 -1.236 37.955 1.00 32.38 C ATOM 1385 CD1 TYR A 155 15.631 -0.287 38.880 1.00 31.50 C ATOM 1386 CD2 TYR A 155 15.233 -2.314 37.647 1.00 29.80 C ATOM 1387 CE1 TYR A 155 14.398 -0.398 39.484 1.00 31.89 C ATOM 1388 CE2 TYR A 155 13.995 -2.435 38.248 1.00 31.04 C ATOM 1389 CZ TYR A 155 13.583 -1.472 39.168 1.00 36.18 C ATOM 1390 OH TYR A 155 12.360 -1.567 39.778 1.00 38.34 O ATOM 1391 HA TYR A 155 18.736 -0.860 39.139 1.00 0.00 H ATOM 1392 HB3 TYR A 155 17.495 -1.765 36.464 1.00 0.00 H ATOM 1393 HB2 TYR A 155 17.619 -0.090 37.049 1.00 0.00 H ATOM 1394 HD2 TYR A 155 15.558 -3.064 36.926 1.00 0.00 H ATOM 1395 HE2 TYR A 155 13.346 -3.276 38.005 1.00 0.00 H ATOM 1396 HE1 TYR A 155 14.067 0.352 40.203 1.00 0.00 H ATOM 1397 HD1 TYR A 155 16.273 0.558 39.128 1.00 0.00 H ATOM 1398 HH TYR A 155 12.240 -0.802 40.394 1.00 0.00 H ATOM 1399 H TYR A 155 19.881 -1.455 36.591 1.00 0.00 H ATOM 1400 N ASN A 156 18.276 -3.960 38.274 1.00 27.96 N ATOM 1401 CA ASN A 156 17.805 -5.239 38.806 1.00 28.40 C ATOM 1402 C ASN A 156 18.683 -5.915 39.846 1.00 27.92 C ATOM 1403 O ASN A 156 19.860 -5.607 39.963 1.00 22.44 O ATOM 1404 CB ASN A 156 17.582 -6.201 37.661 1.00 26.10 C ATOM 1405 CG ASN A 156 16.553 -5.697 36.692 1.00 33.12 C ATOM 1406 OD1 ASN A 156 15.353 -5.734 36.972 1.00 32.55 O ATOM 1407 ND2 ASN A 156 17.012 -5.203 35.543 1.00 29.95 N ATOM 1408 HA ASN A 156 16.888 -4.987 39.338 1.00 0.00 H ATOM 1409 HB2 ASN A 156 18.524 -6.342 37.132 1.00 0.00 H ATOM 1410 HB3 ASN A 156 17.247 -7.156 38.065 1.00 0.00 H ATOM 1411 HD22 ASN A 156 18.034 -5.194 35.353 1.00 0.00 H ATOM 1412 HD21 ASN A 156 16.348 -4.827 34.837 1.00 0.00 H ATOM 1413 H ASN A 156 18.746 -3.928 37.347 1.00 0.00 H ATOM 1414 N LYS A 157 18.089 -6.836 40.605 1.00 27.72 N ATOM 1415 CA LYS A 157 18.847 -7.586 41.605 1.00 28.66 C ATOM 1416 C LYS A 157 19.769 -8.505 40.805 1.00 25.83 C ATOM 1417 O LYS A 157 19.416 -8.929 39.712 1.00 24.58 O ATOM 1418 CB LYS A 157 17.912 -8.441 42.471 1.00 31.05 C ATOM 1419 CG LYS A 157 16.745 -7.695 43.102 1.00 34.84 C ATOM 1420 CD LYS A 157 15.961 -8.630 44.028 1.00 40.32 C ATOM 1421 CE LYS A 157 14.754 -7.935 44.663 1.00 45.15 C ATOM 1422 NZ LYS A 157 13.780 -7.437 43.636 1.00 46.93 N ATOM 1423 HA LYS A 157 19.391 -6.917 42.272 1.00 0.00 H ATOM 1424 HB2 LYS A 157 17.505 -9.235 41.845 1.00 0.00 H ATOM 1425 HB3 LYS A 157 18.504 -8.880 43.274 1.00 0.00 H ATOM 1426 HG2 LYS A 157 17.125 -6.852 43.679 1.00 0.00 H ATOM 1427 HG3 LYS A 157 16.084 -7.328 42.317 1.00 0.00 H ATOM 1428 HD2 LYS A 157 15.610 -9.485 43.450 1.00 0.00 H ATOM 1429 HD3 LYS A 157 16.624 -8.977 44.821 1.00 0.00 H ATOM 1430 HE2 LYS A 157 15.106 -7.088 45.252 1.00 0.00 H ATOM 1431 HE3 LYS A 157 14.244 -8.644 45.316 1.00 0.00 H ATOM 1432 HZ1 LYS A 157 14.255 -6.754 43.012 1.00 0.00 H ATOM 1433 HZ2 LYS A 157 13.432 -8.239 43.073 1.00 0.00 H ATOM 1434 HZ3 LYS A 157 12.981 -6.974 44.114 1.00 0.00 H ATOM 1435 H LYS A 157 17.073 -7.023 40.484 1.00 0.00 H ATOM 1436 N PRO A 158 20.952 -8.830 41.344 1.00 26.10 N ATOM 1437 CA PRO A 158 21.930 -9.706 40.676 1.00 26.47 C ATOM 1438 C PRO A 158 21.388 -11.065 40.260 1.00 28.13 C ATOM 1439 O PRO A 158 21.839 -11.649 39.267 1.00 24.17 O ATOM 1440 CB PRO A 158 23.045 -9.866 41.719 1.00 22.23 C ATOM 1441 CG PRO A 158 22.986 -8.541 42.476 1.00 21.66 C ATOM 1442 CD PRO A 158 21.468 -8.359 42.642 1.00 26.08 C ATOM 1443 HA PRO A 158 22.252 -9.264 39.733 1.00 0.00 H ATOM 1444 HD3 PRO A 158 21.085 -8.965 43.463 1.00 0.00 H ATOM 1445 HD2 PRO A 158 21.212 -7.313 42.813 1.00 0.00 H ATOM 1446 HG3 PRO A 158 23.425 -7.729 41.896 1.00 0.00 H ATOM 1447 HG2 PRO A 158 23.488 -8.609 43.441 1.00 0.00 H ATOM 1448 HB2 PRO A 158 22.846 -10.708 42.382 1.00 0.00 H ATOM 1449 HB3 PRO A 158 24.015 -10.003 41.241 1.00 0.00 H ATOM 1450 N THR A 159 20.424 -11.569 41.023 1.00 27.67 N ATOM 1451 CA THR A 159 19.849 -12.884 40.745 1.00 31.03 C ATOM 1452 C THR A 159 18.715 -12.948 39.714 1.00 29.37 C ATOM 1453 O THR A 159 18.377 -14.037 39.255 1.00 30.26 O ATOM 1454 CB THR A 159 19.358 -13.530 42.069 1.00 33.60 C ATOM 1455 OG1 THR A 159 18.654 -12.546 42.841 1.00 33.26 O ATOM 1456 CG2 THR A 159 20.541 -14.056 42.891 1.00 27.98 C ATOM 1457 HA THR A 159 20.671 -13.432 40.285 1.00 0.00 H ATOM 1458 HB THR A 159 18.701 -14.365 41.825 1.00 0.00 H ATOM 1459 HG1 THR A 159 18.339 -12.954 43.686 1.00 0.00 H ATOM 1460 HG23 THR A 159 21.081 -14.804 42.311 1.00 0.00 H ATOM 1461 HG21 THR A 159 21.210 -13.230 43.133 1.00 0.00 H ATOM 1462 HG22 THR A 159 20.170 -14.506 43.812 1.00 0.00 H ATOM 1463 H THR A 159 20.072 -11.018 41.832 1.00 0.00 H ATOM 1464 N ASP A 160 18.142 -11.804 39.337 1.00 28.90 N ATOM 1465 CA ASP A 160 17.025 -11.777 38.375 1.00 28.55 C ATOM 1466 C ASP A 160 17.355 -12.422 37.052 1.00 27.62 C ATOM 1467 O ASP A 160 18.461 -12.283 36.559 1.00 31.44 O ATOM 1468 CB ASP A 160 16.559 -10.342 38.086 1.00 32.57 C ATOM 1469 CG ASP A 160 15.968 -9.659 39.305 1.00 37.20 C ATOM 1470 OD1 ASP A 160 15.293 -10.357 40.093 1.00 34.54 O ATOM 1471 OD2 ASP A 160 16.173 -8.429 39.460 1.00 39.10 O ATOM 1472 HA ASP A 160 16.235 -12.350 38.860 1.00 0.00 H ATOM 1473 HB2 ASP A 160 17.414 -9.761 37.741 1.00 0.00 H ATOM 1474 HB3 ASP A 160 15.802 -10.373 37.302 1.00 0.00 H ATOM 1475 H ASP A 160 18.492 -10.908 39.732 1.00 0.00 H ATOM 1476 N ASP A 161 16.390 -13.124 36.467 1.00 27.92 N ATOM 1477 CA ASP A 161 16.613 -13.761 35.171 1.00 25.10 C ATOM 1478 C ASP A 161 16.975 -12.726 34.100 1.00 23.98 C ATOM 1479 O ASP A 161 17.785 -12.994 33.210 1.00 22.81 O ATOM 1480 CB ASP A 161 15.359 -14.521 34.730 1.00 24.77 C ATOM 1481 CG ASP A 161 15.076 -15.761 35.588 1.00 26.11 C ATOM 1482 OD1 ASP A 161 15.972 -16.245 36.311 1.00 26.28 O ATOM 1483 OD2 ASP A 161 13.948 -16.263 35.514 1.00 30.56 O ATOM 1484 HA ASP A 161 17.445 -14.456 35.284 1.00 0.00 H ATOM 1485 HB2 ASP A 161 14.504 -13.849 34.798 1.00 0.00 H ATOM 1486 HB3 ASP A 161 15.490 -14.837 33.695 1.00 0.00 H ATOM 1487 H ASP A 161 15.467 -13.221 36.936 1.00 0.00 H ATOM 1488 N ILE A 162 16.363 -11.549 34.187 1.00 21.36 N ATOM 1489 CA ILE A 162 16.604 -10.474 33.224 1.00 24.43 C ATOM 1490 C ILE A 162 18.114 -10.132 33.078 1.00 20.58 C ATOM 1491 O ILE A 162 18.595 -9.869 31.982 1.00 20.76 O ATOM 1492 CB ILE A 162 15.796 -9.210 33.622 1.00 25.01 C ATOM 1493 CG1 ILE A 162 15.836 -8.172 32.494 1.00 30.95 C ATOM 1494 CG2 ILE A 162 16.341 -8.638 34.906 1.00 24.94 C ATOM 1495 CD1 ILE A 162 14.994 -8.560 31.278 1.00 29.51 C ATOM 1496 HA ILE A 162 16.265 -10.829 32.251 1.00 0.00 H ATOM 1497 HB ILE A 162 14.754 -9.488 33.783 1.00 0.00 H ATOM 1498 HG12 ILE A 162 15.464 -7.224 32.883 1.00 0.00 H ATOM 1499 HG13 ILE A 162 16.871 -8.050 32.173 1.00 0.00 H ATOM 1500 HD11 ILE A 162 15.361 -9.501 30.869 1.00 0.00 H ATOM 1501 HD12 ILE A 162 13.953 -8.675 31.580 1.00 0.00 H ATOM 1502 HD13 ILE A 162 15.070 -7.779 30.521 1.00 0.00 H ATOM 1503 HG21 ILE A 162 16.259 -9.383 35.698 1.00 0.00 H ATOM 1504 HG22 ILE A 162 17.388 -8.368 34.767 1.00 0.00 H ATOM 1505 HG23 ILE A 162 15.769 -7.751 35.179 1.00 0.00 H ATOM 1506 H ILE A 162 15.691 -11.387 34.964 1.00 0.00 H ATOM 1507 N VAL A 163 18.858 -10.179 34.178 1.00 21.40 N ATOM 1508 CA VAL A 163 20.288 -9.902 34.143 1.00 19.49 C ATOM 1509 C VAL A 163 21.000 -10.915 33.246 1.00 22.14 C ATOM 1510 O VAL A 163 21.871 -10.552 32.429 1.00 21.52 O ATOM 1511 CB VAL A 163 20.891 -9.964 35.545 1.00 17.00 C ATOM 1512 CG1 VAL A 163 22.442 -10.024 35.465 1.00 14.07 C ATOM 1513 CG2 VAL A 163 20.434 -8.790 36.327 1.00 15.84 C ATOM 1514 HA VAL A 163 20.424 -8.897 33.743 1.00 0.00 H ATOM 1515 HB VAL A 163 20.554 -10.870 36.049 1.00 0.00 H ATOM 1516 HG11 VAL A 163 22.742 -10.912 34.909 1.00 0.00 H ATOM 1517 HG12 VAL A 163 22.813 -9.134 34.957 1.00 0.00 H ATOM 1518 HG13 VAL A 163 22.855 -10.068 36.473 1.00 0.00 H ATOM 1519 HG21 VAL A 163 20.758 -7.876 35.830 1.00 0.00 H ATOM 1520 HG22 VAL A 163 19.346 -8.802 36.396 1.00 0.00 H ATOM 1521 HG23 VAL A 163 20.863 -8.832 37.328 1.00 0.00 H ATOM 1522 H VAL A 163 18.409 -10.419 35.085 1.00 0.00 H ATOM 1523 N LEU A 164 20.623 -12.181 33.418 1.00 20.66 N ATOM 1524 CA LEU A 164 21.162 -13.304 32.636 1.00 22.68 C ATOM 1525 C LEU A 164 20.783 -13.145 31.157 1.00 18.64 C ATOM 1526 O LEU A 164 21.551 -13.445 30.247 1.00 20.20 O ATOM 1527 CB LEU A 164 20.562 -14.609 33.166 1.00 26.00 C ATOM 1528 CG LEU A 164 21.410 -15.729 33.754 1.00 38.43 C ATOM 1529 CD1 LEU A 164 22.351 -15.210 34.836 1.00 36.60 C ATOM 1530 CD2 LEU A 164 20.454 -16.781 34.353 1.00 40.37 C ATOM 1531 HA LEU A 164 22.248 -13.320 32.728 1.00 0.00 H ATOM 1532 HB2 LEU A 164 19.859 -14.322 33.947 1.00 0.00 H ATOM 1533 HB3 LEU A 164 20.016 -15.050 32.332 1.00 0.00 H ATOM 1534 HG LEU A 164 22.028 -16.164 32.968 1.00 0.00 H ATOM 1535 HD21 LEU A 164 19.847 -16.318 35.131 1.00 0.00 H ATOM 1536 HD22 LEU A 164 19.806 -17.170 33.568 1.00 0.00 H ATOM 1537 HD23 LEU A 164 21.036 -17.597 34.782 1.00 0.00 H ATOM 1538 HD11 LEU A 164 23.017 -14.461 34.408 1.00 0.00 H ATOM 1539 HD12 LEU A 164 21.767 -14.761 35.639 1.00 0.00 H ATOM 1540 HD13 LEU A 164 22.939 -16.038 35.232 1.00 0.00 H ATOM 1541 H LEU A 164 19.908 -12.387 34.145 1.00 0.00 H HETATM 1542 N MSE A 165 19.574 -12.687 30.915 1.00 21.70 N HETATM 1543 CA MSE A 165 19.115 -12.503 29.538 1.00 21.53 C HETATM 1544 C MSE A 165 19.910 -11.367 28.866 1.00 19.88 C HETATM 1545 O MSE A 165 20.351 -11.497 27.716 1.00 20.25 O HETATM 1546 CB MSE A 165 17.612 -12.241 29.568 1.00 26.18 C HETATM 1547 CG MSE A 165 16.815 -13.462 30.115 1.00 21.75 C HETATM 1548 SE MSE A 165 14.936 -13.073 30.475 1.00 31.35 S HETATM 1549 CE MSE A 165 14.394 -12.826 28.677 1.00 15.48 C HETATM 1550 HE3 MSE A 165 13.330 -12.589 28.649 1.00 0.00 H HETATM 1551 HE2 MSE A 165 14.579 -13.741 28.114 1.00 0.00 H HETATM 1552 HE1 MSE A 165 14.962 -12.006 28.237 1.00 0.00 H HETATM 1553 HG2 MSE A 165 16.866 -14.265 29.379 1.00 0.00 H HETATM 1554 HG1 MSE A 165 17.283 -13.791 31.043 1.00 0.00 H HETATM 1555 HB2 MSE A 165 17.272 -12.025 28.555 1.00 0.00 H HETATM 1556 HB1 MSE A 165 17.418 -11.379 30.207 1.00 0.00 H HETATM 1557 HA MSE A 165 19.292 -13.397 28.939 1.00 0.00 H HETATM 1558 H MSE A 165 18.941 -12.454 31.707 1.00 0.00 H ATOM 1559 N ALA A 166 20.148 -10.281 29.598 1.00 17.62 N ATOM 1560 CA ALA A 166 20.932 -9.168 29.058 1.00 16.47 C ATOM 1561 C ALA A 166 22.394 -9.565 28.827 1.00 17.59 C ATOM 1562 O ALA A 166 22.985 -9.185 27.811 1.00 18.61 O ATOM 1563 CB ALA A 166 20.862 -7.962 29.988 1.00 16.49 C ATOM 1564 HA ALA A 166 20.498 -8.903 28.094 1.00 0.00 H ATOM 1565 HB1 ALA A 166 19.824 -7.646 30.093 1.00 0.00 H ATOM 1566 HB2 ALA A 166 21.261 -8.235 30.965 1.00 0.00 H ATOM 1567 HB3 ALA A 166 21.451 -7.146 29.568 1.00 0.00 H ATOM 1568 H ALA A 166 19.772 -10.222 30.566 1.00 0.00 H ATOM 1569 N GLN A 167 22.992 -10.325 29.747 1.00 18.55 N ATOM 1570 CA GLN A 167 24.392 -10.727 29.545 1.00 20.79 C ATOM 1571 C GLN A 167 24.486 -11.606 28.296 1.00 22.23 C ATOM 1572 O GLN A 167 25.429 -11.468 27.511 1.00 24.25 O ATOM 1573 CB GLN A 167 24.958 -11.514 30.737 1.00 22.51 C ATOM 1574 CG GLN A 167 24.940 -10.823 32.062 1.00 20.88 C ATOM 1575 CD GLN A 167 25.507 -11.711 33.162 1.00 27.56 C ATOM 1576 OE1 GLN A 167 26.650 -11.524 33.588 1.00 32.50 O ATOM 1577 NE2 GLN A 167 24.722 -12.700 33.612 1.00 24.52 N ATOM 1578 HA GLN A 167 24.978 -9.814 29.436 1.00 0.00 H ATOM 1579 HB2 GLN A 167 24.378 -12.432 30.834 1.00 0.00 H ATOM 1580 HB3 GLN A 167 25.994 -11.763 30.507 1.00 0.00 H ATOM 1581 HG2 GLN A 167 25.538 -9.914 31.996 1.00 0.00 H ATOM 1582 HG3 GLN A 167 23.912 -10.562 32.312 1.00 0.00 H ATOM 1583 HE22 GLN A 167 23.765 -12.821 33.224 1.00 0.00 H ATOM 1584 HE21 GLN A 167 25.070 -13.346 34.349 1.00 0.00 H ATOM 1585 H GLN A 167 22.474 -10.629 30.596 1.00 0.00 H ATOM 1586 N THR A 168 23.503 -12.493 28.103 1.00 20.72 N ATOM 1587 CA THR A 168 23.501 -13.374 26.934 1.00 21.30 C ATOM 1588 C THR A 168 23.365 -12.523 25.670 1.00 22.24 C ATOM 1589 O THR A 168 24.062 -12.744 24.691 1.00 22.35 O ATOM 1590 CB THR A 168 22.313 -14.408 26.959 1.00 25.62 C ATOM 1591 OG1 THR A 168 22.294 -15.116 28.209 1.00 26.06 O ATOM 1592 CG2 THR A 168 22.453 -15.420 25.827 1.00 21.31 C ATOM 1593 HA THR A 168 24.437 -13.932 26.947 1.00 0.00 H ATOM 1594 HB THR A 168 21.385 -13.851 26.834 1.00 0.00 H ATOM 1595 HG1 THR A 168 22.177 -14.471 28.951 1.00 0.00 H ATOM 1596 HG23 THR A 168 22.469 -14.895 24.872 1.00 0.00 H ATOM 1597 HG21 THR A 168 23.381 -15.977 25.952 1.00 0.00 H ATOM 1598 HG22 THR A 168 21.609 -16.109 25.851 1.00 0.00 H ATOM 1599 H THR A 168 22.729 -12.557 28.794 1.00 0.00 H ATOM 1600 N LEU A 169 22.473 -11.542 25.688 1.00 24.30 N ATOM 1601 CA LEU A 169 22.298 -10.708 24.504 1.00 24.27 C ATOM 1602 C LEU A 169 23.512 -9.821 24.247 1.00 23.99 C ATOM 1603 O LEU A 169 23.886 -9.587 23.098 1.00 27.00 O ATOM 1604 CB LEU A 169 21.061 -9.830 24.642 1.00 22.31 C ATOM 1605 CG LEU A 169 19.737 -10.576 24.672 1.00 26.48 C ATOM 1606 CD1 LEU A 169 18.630 -9.620 25.141 1.00 21.24 C ATOM 1607 CD2 LEU A 169 19.454 -11.157 23.295 1.00 20.74 C ATOM 1608 HA LEU A 169 22.178 -11.384 23.658 1.00 0.00 H ATOM 1609 HB2 LEU A 169 21.151 -9.264 25.569 1.00 0.00 H ATOM 1610 HB3 LEU A 169 21.041 -9.141 23.798 1.00 0.00 H ATOM 1611 HG LEU A 169 19.778 -11.407 25.376 1.00 0.00 H ATOM 1612 HD21 LEU A 169 19.401 -10.349 22.565 1.00 0.00 H ATOM 1613 HD22 LEU A 169 20.254 -11.845 23.021 1.00 0.00 H ATOM 1614 HD23 LEU A 169 18.505 -11.692 23.316 1.00 0.00 H ATOM 1615 HD11 LEU A 169 18.867 -9.254 26.140 1.00 0.00 H ATOM 1616 HD12 LEU A 169 18.562 -8.779 24.451 1.00 0.00 H ATOM 1617 HD13 LEU A 169 17.679 -10.151 25.164 1.00 0.00 H ATOM 1618 H LEU A 169 21.902 -11.368 26.540 1.00 0.00 H ATOM 1619 N GLU A 170 24.129 -9.336 25.316 1.00 20.60 N ATOM 1620 CA GLU A 170 25.273 -8.462 25.166 1.00 21.64 C ATOM 1621 C GLU A 170 26.485 -9.204 24.586 1.00 22.84 C ATOM 1622 O GLU A 170 27.260 -8.615 23.829 1.00 22.13 O ATOM 1623 CB GLU A 170 25.602 -7.777 26.505 1.00 20.33 C ATOM 1624 CG GLU A 170 26.756 -6.785 26.411 1.00 19.95 C ATOM 1625 CD GLU A 170 26.868 -5.845 27.615 1.00 23.07 C ATOM 1626 OE1 GLU A 170 26.713 -6.295 28.769 1.00 20.68 O ATOM 1627 OE2 GLU A 170 27.129 -4.639 27.396 1.00 31.76 O ATOM 1628 HA GLU A 170 25.015 -7.685 24.446 1.00 0.00 H ATOM 1629 HB2 GLU A 170 24.715 -7.244 26.848 1.00 0.00 H ATOM 1630 HB3 GLU A 170 25.865 -8.546 27.231 1.00 0.00 H ATOM 1631 HG2 GLU A 170 27.686 -7.347 26.327 1.00 0.00 H ATOM 1632 HG3 GLU A 170 26.616 -6.180 25.515 1.00 0.00 H ATOM 1633 H GLU A 170 23.789 -9.585 26.267 1.00 0.00 H ATOM 1634 N LYS A 171 26.648 -10.489 24.917 1.00 22.45 N ATOM 1635 CA LYS A 171 27.758 -11.249 24.353 1.00 23.10 C ATOM 1636 C LYS A 171 27.583 -11.358 22.826 1.00 21.55 C ATOM 1637 O LYS A 171 28.544 -11.200 22.078 1.00 22.78 O ATOM 1638 CB LYS A 171 27.866 -12.632 24.997 1.00 25.90 C ATOM 1639 CG LYS A 171 28.292 -12.587 26.475 1.00 36.58 C ATOM 1640 CD LYS A 171 27.937 -13.901 27.227 1.00 36.81 C ATOM 1641 CE LYS A 171 28.838 -14.139 28.440 1.00 36.70 C ATOM 1642 NZ LYS A 171 28.787 -13.057 29.444 1.00 33.46 N ATOM 1643 HA LYS A 171 28.689 -10.723 24.565 1.00 0.00 H ATOM 1644 HB2 LYS A 171 26.894 -13.120 24.932 1.00 0.00 H ATOM 1645 HB3 LYS A 171 28.602 -13.215 24.443 1.00 0.00 H ATOM 1646 HG2 LYS A 171 29.370 -12.433 26.526 1.00 0.00 H ATOM 1647 HG3 LYS A 171 27.784 -11.755 26.962 1.00 0.00 H ATOM 1648 HD2 LYS A 171 26.902 -13.843 27.565 1.00 0.00 H ATOM 1649 HD3 LYS A 171 28.047 -14.739 26.539 1.00 0.00 H ATOM 1650 HE2 LYS A 171 29.866 -14.236 28.091 1.00 0.00 H ATOM 1651 HE3 LYS A 171 28.530 -15.068 28.920 1.00 0.00 H ATOM 1652 HZ1 LYS A 171 29.090 -12.164 29.005 1.00 0.00 H ATOM 1653 HZ2 LYS A 171 27.814 -12.959 29.797 1.00 0.00 H ATOM 1654 HZ3 LYS A 171 29.422 -13.289 30.234 1.00 0.00 H ATOM 1655 H LYS A 171 25.985 -10.946 25.575 1.00 0.00 H ATOM 1656 N ILE A 172 26.366 -11.588 22.350 1.00 23.78 N ATOM 1657 CA ILE A 172 26.147 -11.638 20.893 1.00 21.72 C ATOM 1658 C ILE A 172 26.603 -10.285 20.329 1.00 22.58 C ATOM 1659 O ILE A 172 27.410 -10.212 19.387 1.00 23.43 O ATOM 1660 CB ILE A 172 24.651 -11.787 20.543 1.00 23.71 C ATOM 1661 CG1 ILE A 172 24.066 -13.036 21.196 1.00 28.25 C ATOM 1662 CG2 ILE A 172 24.461 -11.840 19.039 1.00 21.80 C ATOM 1663 CD1 ILE A 172 24.548 -14.284 20.634 1.00 31.26 C ATOM 1664 HA ILE A 172 26.691 -12.489 20.483 1.00 0.00 H ATOM 1665 HB ILE A 172 24.121 -10.917 20.930 1.00 0.00 H ATOM 1666 HG12 ILE A 172 24.319 -13.018 22.256 1.00 0.00 H ATOM 1667 HG13 ILE A 172 22.982 -13.006 21.082 1.00 0.00 H ATOM 1668 HD11 ILE A 172 24.292 -14.327 19.575 1.00 0.00 H ATOM 1669 HD12 ILE A 172 25.630 -14.339 20.750 1.00 0.00 H ATOM 1670 HD13 ILE A 172 24.082 -15.120 21.156 1.00 0.00 H ATOM 1671 HG21 ILE A 172 24.840 -10.920 18.594 1.00 0.00 H ATOM 1672 HG22 ILE A 172 25.007 -12.693 18.635 1.00 0.00 H ATOM 1673 HG23 ILE A 172 23.400 -11.945 18.812 1.00 0.00 H ATOM 1674 H ILE A 172 25.569 -11.733 23.003 1.00 0.00 H ATOM 1675 N PHE A 173 26.068 -9.218 20.921 1.00 20.13 N ATOM 1676 CA PHE A 173 26.371 -7.842 20.529 1.00 19.31 C ATOM 1677 C PHE A 173 27.856 -7.596 20.389 1.00 21.45 C ATOM 1678 O PHE A 173 28.311 -7.130 19.341 1.00 23.90 O ATOM 1679 CB PHE A 173 25.794 -6.864 21.561 1.00 18.43 C ATOM 1680 CG PHE A 173 26.286 -5.445 21.405 1.00 22.66 C ATOM 1681 CD1 PHE A 173 25.836 -4.642 20.353 1.00 19.51 C ATOM 1682 CD2 PHE A 173 27.184 -4.907 22.326 1.00 19.16 C ATOM 1683 CE1 PHE A 173 26.268 -3.337 20.222 1.00 19.98 C ATOM 1684 CE2 PHE A 173 27.625 -3.594 22.205 1.00 24.90 C ATOM 1685 CZ PHE A 173 27.167 -2.806 21.148 1.00 25.67 C ATOM 1686 HA PHE A 173 25.912 -7.680 19.554 1.00 0.00 H ATOM 1687 HB2 PHE A 173 24.708 -6.863 21.463 1.00 0.00 H ATOM 1688 HB3 PHE A 173 26.068 -7.214 22.556 1.00 0.00 H ATOM 1689 HD2 PHE A 173 27.544 -5.523 23.150 1.00 0.00 H ATOM 1690 HE2 PHE A 173 28.325 -3.182 22.932 1.00 0.00 H ATOM 1691 HZ PHE A 173 27.511 -1.777 21.046 1.00 0.00 H ATOM 1692 HE1 PHE A 173 25.908 -2.723 19.397 1.00 0.00 H ATOM 1693 HD1 PHE A 173 25.135 -5.052 19.626 1.00 0.00 H ATOM 1694 H PHE A 173 25.400 -9.372 21.703 1.00 0.00 H ATOM 1695 N LEU A 174 28.615 -7.908 21.439 1.00 23.35 N ATOM 1696 CA LEU A 174 30.062 -7.706 21.406 1.00 26.57 C ATOM 1697 C LEU A 174 30.716 -8.563 20.331 1.00 27.13 C ATOM 1698 O LEU A 174 31.618 -8.093 19.621 1.00 27.29 O ATOM 1699 CB LEU A 174 30.690 -8.016 22.763 1.00 22.91 C ATOM 1700 CG LEU A 174 30.400 -7.008 23.859 1.00 30.77 C ATOM 1701 CD1 LEU A 174 31.195 -7.398 25.120 1.00 34.86 C ATOM 1702 CD2 LEU A 174 30.785 -5.608 23.387 1.00 29.98 C ATOM 1703 HA LEU A 174 30.235 -6.657 21.168 1.00 0.00 H ATOM 1704 HB2 LEU A 174 30.319 -8.987 23.092 1.00 0.00 H ATOM 1705 HB3 LEU A 174 31.771 -8.067 22.630 1.00 0.00 H ATOM 1706 HG LEU A 174 29.336 -7.007 24.096 1.00 0.00 H ATOM 1707 HD21 LEU A 174 31.848 -5.586 23.148 1.00 0.00 H ATOM 1708 HD22 LEU A 174 30.206 -5.353 22.499 1.00 0.00 H ATOM 1709 HD23 LEU A 174 30.574 -4.888 24.178 1.00 0.00 H ATOM 1710 HD11 LEU A 174 30.893 -8.393 25.445 1.00 0.00 H ATOM 1711 HD12 LEU A 174 32.261 -7.397 24.891 1.00 0.00 H ATOM 1712 HD13 LEU A 174 30.992 -6.678 25.913 1.00 0.00 H ATOM 1713 H LEU A 174 28.171 -8.301 22.294 1.00 0.00 H ATOM 1714 N GLN A 175 30.265 -9.816 20.215 1.00 26.29 N ATOM 1715 CA GLN A 175 30.795 -10.722 19.199 1.00 28.43 C ATOM 1716 C GLN A 175 30.558 -10.174 17.795 1.00 28.44 C ATOM 1717 O GLN A 175 31.433 -10.237 16.956 1.00 31.08 O ATOM 1718 CB GLN A 175 30.151 -12.104 19.301 1.00 30.18 C ATOM 1719 CG GLN A 175 30.665 -12.957 20.452 1.00 37.77 C ATOM 1720 CD GLN A 175 29.941 -14.316 20.572 1.00 45.21 C ATOM 1721 OE1 GLN A 175 30.292 -15.143 21.419 1.00 44.79 O ATOM 1722 NE2 GLN A 175 28.928 -14.541 19.724 1.00 47.64 N ATOM 1723 HA GLN A 175 31.867 -10.808 19.379 1.00 0.00 H ATOM 1724 HB2 GLN A 175 29.077 -11.971 19.429 1.00 0.00 H ATOM 1725 HB3 GLN A 175 30.341 -12.638 18.370 1.00 0.00 H ATOM 1726 HG2 GLN A 175 31.728 -13.143 20.298 1.00 0.00 H ATOM 1727 HG3 GLN A 175 30.524 -12.406 21.382 1.00 0.00 H ATOM 1728 HE22 GLN A 175 28.664 -13.817 19.025 1.00 0.00 H ATOM 1729 HE21 GLN A 175 28.405 -15.439 19.765 1.00 0.00 H ATOM 1730 H GLN A 175 29.522 -10.152 20.861 1.00 0.00 H ATOM 1731 N LYS A 176 29.375 -9.637 17.527 1.00 30.22 N ATOM 1732 CA LYS A 176 29.114 -9.107 16.193 1.00 29.58 C ATOM 1733 C LYS A 176 29.893 -7.826 15.927 1.00 29.56 C ATOM 1734 O LYS A 176 30.337 -7.578 14.811 1.00 30.91 O ATOM 1735 CB LYS A 176 27.620 -8.846 15.994 1.00 32.14 C ATOM 1736 CG LYS A 176 26.743 -10.093 16.004 1.00 36.03 C ATOM 1737 CD LYS A 176 27.140 -11.060 14.910 1.00 38.77 C ATOM 1738 CE LYS A 176 26.141 -12.197 14.760 1.00 41.61 C ATOM 1739 NZ LYS A 176 26.453 -13.016 13.554 1.00 42.33 N ATOM 1740 HA LYS A 176 29.448 -9.863 15.482 1.00 0.00 H ATOM 1741 HB2 LYS A 176 27.282 -8.187 16.794 1.00 0.00 H ATOM 1742 HB3 LYS A 176 27.488 -8.347 15.034 1.00 0.00 H ATOM 1743 HG2 LYS A 176 26.844 -10.589 16.969 1.00 0.00 H ATOM 1744 HG3 LYS A 176 25.705 -9.797 15.856 1.00 0.00 H ATOM 1745 HD2 LYS A 176 27.200 -10.518 13.966 1.00 0.00 H ATOM 1746 HD3 LYS A 176 28.117 -11.480 15.149 1.00 0.00 H ATOM 1747 HE2 LYS A 176 25.138 -11.782 14.661 1.00 0.00 H ATOM 1748 HE3 LYS A 176 26.185 -12.832 15.645 1.00 0.00 H ATOM 1749 HZ1 LYS A 176 26.408 -12.414 12.707 1.00 0.00 H ATOM 1750 HZ2 LYS A 176 27.408 -13.417 13.646 1.00 0.00 H ATOM 1751 HZ3 LYS A 176 25.759 -13.786 13.471 1.00 0.00 H ATOM 1752 H LYS A 176 28.640 -9.594 18.261 1.00 0.00 H ATOM 1753 N VAL A 177 30.049 -7.004 16.953 1.00 29.29 N ATOM 1754 CA VAL A 177 30.789 -5.765 16.800 1.00 28.88 C ATOM 1755 C VAL A 177 32.247 -6.053 16.450 1.00 29.35 C ATOM 1756 O VAL A 177 32.863 -5.302 15.699 1.00 29.56 O ATOM 1757 CB VAL A 177 30.717 -4.913 18.092 1.00 28.80 C ATOM 1758 CG1 VAL A 177 31.898 -3.931 18.155 1.00 29.32 C ATOM 1759 CG2 VAL A 177 29.384 -4.175 18.144 1.00 29.43 C ATOM 1760 HA VAL A 177 30.333 -5.201 15.987 1.00 0.00 H ATOM 1761 HB VAL A 177 30.785 -5.569 18.960 1.00 0.00 H ATOM 1762 HG11 VAL A 177 32.834 -4.490 18.150 1.00 0.00 H ATOM 1763 HG12 VAL A 177 31.864 -3.268 17.290 1.00 0.00 H ATOM 1764 HG13 VAL A 177 31.830 -3.341 19.069 1.00 0.00 H ATOM 1765 HG21 VAL A 177 29.297 -3.524 17.274 1.00 0.00 H ATOM 1766 HG22 VAL A 177 28.569 -4.899 18.141 1.00 0.00 H ATOM 1767 HG23 VAL A 177 29.337 -3.577 19.054 1.00 0.00 H ATOM 1768 H VAL A 177 29.638 -7.248 17.876 1.00 0.00 H ATOM 1769 N ALA A 178 32.799 -7.135 16.991 1.00 27.04 N ATOM 1770 CA ALA A 178 34.183 -7.473 16.708 1.00 30.04 C ATOM 1771 C ALA A 178 34.418 -7.753 15.227 1.00 33.21 C ATOM 1772 O ALA A 178 35.552 -7.679 14.748 1.00 33.56 O ATOM 1773 CB ALA A 178 34.623 -8.690 17.555 1.00 27.00 C ATOM 1774 HA ALA A 178 34.787 -6.606 16.976 1.00 0.00 H ATOM 1775 HB1 ALA A 178 34.524 -8.449 18.613 1.00 0.00 H ATOM 1776 HB2 ALA A 178 33.991 -9.545 17.315 1.00 0.00 H ATOM 1777 HB3 ALA A 178 35.662 -8.930 17.331 1.00 0.00 H ATOM 1778 H ALA A 178 32.237 -7.743 17.620 1.00 0.00 H ATOM 1779 N SER A 179 33.354 -8.083 14.508 1.00 34.27 N ATOM 1780 CA SER A 179 33.447 -8.386 13.083 1.00 40.75 C ATOM 1781 C SER A 179 32.926 -7.238 12.213 1.00 43.30 C ATOM 1782 O SER A 179 32.850 -7.343 10.985 1.00 41.77 O ATOM 1783 CB SER A 179 32.647 -9.652 12.759 1.00 42.88 C ATOM 1784 OG SER A 179 33.198 -10.781 13.405 1.00 50.53 O ATOM 1785 HA SER A 179 34.503 -8.535 12.859 1.00 0.00 H ATOM 1786 HB2 SER A 179 32.661 -9.816 11.682 1.00 0.00 H ATOM 1787 HB3 SER A 179 31.618 -9.518 13.092 1.00 0.00 H ATOM 1788 HG SER A 179 32.663 -11.583 13.179 1.00 0.00 H ATOM 1789 H SER A 179 32.425 -8.127 14.973 1.00 0.00 H HETATM 1790 N MSE A 180 32.540 -6.149 12.855 1.00 44.93 N HETATM 1791 CA MSE A 180 32.040 -5.021 12.113 1.00 46.09 C HETATM 1792 C MSE A 180 33.101 -4.605 11.114 1.00 50.41 C HETATM 1793 O MSE A 180 34.262 -4.405 11.467 1.00 45.93 O HETATM 1794 CB MSE A 180 31.718 -3.867 13.054 1.00 43.44 C HETATM 1795 CG MSE A 180 31.018 -2.728 12.375 1.00 40.24 C HETATM 1796 SE MSE A 180 30.261 -1.527 13.648 1.00 42.79 S HETATM 1797 CE MSE A 180 31.885 -1.089 14.603 1.00 32.92 C HETATM 1798 HE3 MSE A 180 31.656 -0.386 15.404 1.00 0.00 H HETATM 1799 HE2 MSE A 180 32.599 -0.637 13.915 1.00 0.00 H HETATM 1800 HE1 MSE A 180 32.312 -1.998 15.027 1.00 0.00 H HETATM 1801 HG2 MSE A 180 31.735 -2.187 11.758 1.00 0.00 H HETATM 1802 HG1 MSE A 180 30.223 -3.125 11.743 1.00 0.00 H HETATM 1803 HB2 MSE A 180 32.650 -3.496 13.480 1.00 0.00 H HETATM 1804 HB1 MSE A 180 31.078 -4.240 13.854 1.00 0.00 H HETATM 1805 HA MSE A 180 31.122 -5.294 11.593 1.00 0.00 H HETATM 1806 H MSE A 180 32.597 -6.107 13.893 1.00 0.00 H ATOM 1807 N PRO A 181 32.712 -4.484 9.837 1.00 55.85 N ATOM 1808 CA PRO A 181 33.636 -4.086 8.773 1.00 59.60 C ATOM 1809 C PRO A 181 34.215 -2.719 9.078 1.00 62.24 C ATOM 1810 O PRO A 181 33.499 -1.831 9.530 1.00 62.08 O ATOM 1811 CB PRO A 181 32.743 -4.062 7.536 1.00 60.68 C ATOM 1812 CG PRO A 181 31.413 -3.624 8.115 1.00 59.18 C ATOM 1813 CD PRO A 181 31.323 -4.502 9.344 1.00 56.95 C ATOM 1814 HA PRO A 181 34.493 -4.749 8.653 1.00 0.00 H ATOM 1815 HD3 PRO A 181 30.636 -4.084 10.080 1.00 0.00 H ATOM 1816 HD2 PRO A 181 31.007 -5.513 9.086 1.00 0.00 H ATOM 1817 HG3 PRO A 181 30.593 -3.819 7.424 1.00 0.00 H ATOM 1818 HG2 PRO A 181 31.421 -2.566 8.379 1.00 0.00 H ATOM 1819 HB2 PRO A 181 33.108 -3.348 6.798 1.00 0.00 H ATOM 1820 HB3 PRO A 181 32.671 -5.049 7.080 1.00 0.00 H ATOM 1821 N GLN A 182 35.510 -2.553 8.848 1.00 66.19 N ATOM 1822 CA GLN A 182 36.136 -1.270 9.101 1.00 71.75 C ATOM 1823 C GLN A 182 36.445 -0.548 7.813 1.00 76.13 C ATOM 1824 O GLN A 182 37.487 -0.753 7.193 1.00 76.65 O ATOM 1825 CB GLN A 182 37.405 -1.433 9.922 1.00 70.39 C ATOM 1826 CG GLN A 182 37.108 -1.658 11.375 1.00 72.38 C ATOM 1827 CD GLN A 182 36.209 -0.575 11.948 1.00 72.19 C ATOM 1828 OE1 GLN A 182 36.534 0.612 11.890 1.00 72.21 O ATOM 1829 NE2 GLN A 182 35.074 -0.982 12.506 1.00 72.89 N ATOM 1830 HA GLN A 182 35.426 -0.670 9.671 1.00 0.00 H ATOM 1831 HB2 GLN A 182 37.964 -2.287 9.540 1.00 0.00 H ATOM 1832 HB3 GLN A 182 38.008 -0.531 9.821 1.00 0.00 H ATOM 1833 HG2 GLN A 182 36.613 -2.623 11.488 1.00 0.00 H ATOM 1834 HG3 GLN A 182 38.047 -1.666 11.929 1.00 0.00 H ATOM 1835 HE22 GLN A 182 34.841 -1.995 12.532 1.00 0.00 H ATOM 1836 HE21 GLN A 182 34.418 -0.287 12.917 1.00 0.00 H ATOM 1837 H GLN A 182 36.078 -3.345 8.485 1.00 0.00 H ATOM 1838 N GLU A 183 35.504 0.293 7.416 1.00 80.70 N ATOM 1839 CA GLU A 183 35.621 1.087 6.211 1.00 85.36 C ATOM 1840 C GLU A 183 34.876 2.388 6.494 1.00 87.20 C ATOM 1841 O GLU A 183 34.953 3.330 5.705 1.00 89.10 O ATOM 1842 CB GLU A 183 34.982 0.354 5.020 1.00 86.18 C ATOM 1843 CG GLU A 183 35.604 -1.001 4.671 1.00 87.64 C ATOM 1844 CD GLU A 183 36.790 -0.900 3.712 1.00 89.24 C ATOM 1845 OE1 GLU A 183 37.755 -0.161 4.015 1.00 88.23 O ATOM 1846 OE2 GLU A 183 36.753 -1.571 2.652 1.00 89.20 O ATOM 1847 HA GLU A 183 36.664 1.270 5.953 1.00 0.00 H ATOM 1848 HB2 GLU A 183 33.929 0.191 5.251 1.00 0.00 H ATOM 1849 HB3 GLU A 183 35.066 0.998 4.145 1.00 0.00 H ATOM 1850 HG2 GLU A 183 35.945 -1.472 5.593 1.00 0.00 H ATOM 1851 HG3 GLU A 183 34.838 -1.623 4.208 1.00 0.00 H ATOM 1852 H GLU A 183 34.644 0.388 7.994 1.00 0.00 H ATOM 1853 N GLU A 184 34.170 2.427 7.629 1.00 88.19 N ATOM 1854 CA GLU A 184 33.388 3.595 8.046 1.00 90.04 C ATOM 1855 C GLU A 184 33.079 4.483 6.833 1.00 89.76 C ATOM 1856 O GLU A 184 33.334 5.690 6.834 1.00 88.66 O ATOM 1857 CB GLU A 184 34.158 4.376 9.122 1.00 91.60 C ATOM 1858 CG GLU A 184 33.482 5.671 9.593 1.00 97.01 C ATOM 1859 CD GLU A 184 32.077 5.467 10.162 1.00 99.47 C ATOM 1860 OE1 GLU A 184 31.942 4.866 11.252 1.00100.78 O ATOM 1861 OE2 GLU A 184 31.102 5.914 9.518 1.00100.74 O ATOM 1862 HA GLU A 184 32.440 3.265 8.472 1.00 0.00 H ATOM 1863 HB2 GLU A 184 34.283 3.726 9.988 1.00 0.00 H ATOM 1864 HB3 GLU A 184 35.137 4.633 8.718 1.00 0.00 H ATOM 1865 HG2 GLU A 184 34.104 6.121 10.367 1.00 0.00 H ATOM 1866 HG3 GLU A 184 33.413 6.351 8.744 1.00 0.00 H ATOM 1867 H GLU A 184 34.176 1.589 8.245 1.00 0.00 H ATOM 1868 N GLN A 185 32.516 3.857 5.801 1.00 89.31 N ATOM 1869 CA GLN A 185 32.197 4.528 4.547 1.00 88.82 C ATOM 1870 C GLN A 185 30.854 5.250 4.538 1.00 88.28 C ATOM 1871 O GLN A 185 29.958 4.922 5.309 1.00 87.81 O ATOM 1872 CB GLN A 185 32.255 3.507 3.402 1.00 89.07 C ATOM 1873 CG GLN A 185 33.563 2.722 3.358 1.00 89.00 C ATOM 1874 CD GLN A 185 33.650 1.752 2.194 1.00 89.84 C ATOM 1875 OE1 GLN A 185 33.829 2.159 1.045 1.00 89.88 O ATOM 1876 NE2 GLN A 185 33.522 0.460 2.485 1.00 88.99 N ATOM 1877 HA GLN A 185 32.945 5.310 4.417 1.00 0.00 H ATOM 1878 HB2 GLN A 185 31.432 2.802 3.524 1.00 0.00 H ATOM 1879 HB3 GLN A 185 32.139 4.039 2.458 1.00 0.00 H ATOM 1880 HG2 GLN A 185 34.388 3.430 3.279 1.00 0.00 H ATOM 1881 HG3 GLN A 185 33.658 2.157 4.285 1.00 0.00 H ATOM 1882 HE22 GLN A 185 33.372 0.161 3.470 1.00 0.00 H ATOM 1883 HE21 GLN A 185 33.572 -0.251 1.728 1.00 0.00 H ATOM 1884 H GLN A 185 32.294 2.845 5.894 1.00 0.00 H ATOM 1885 N GLU A 186 30.736 6.235 3.646 1.00 88.68 N ATOM 1886 CA GLU A 186 29.529 7.048 3.487 1.00 88.42 C ATOM 1887 C GLU A 186 29.314 8.008 4.650 1.00 88.56 C ATOM 1888 O GLU A 186 28.863 9.150 4.401 1.00 88.29 O ATOM 1889 CB GLU A 186 28.290 6.168 3.324 1.00 87.89 C ATOM 1890 CG GLU A 186 28.283 5.312 2.078 1.00 86.99 C ATOM 1891 CD GLU A 186 26.926 4.696 1.834 1.00 86.89 C ATOM 1892 OE1 GLU A 186 25.970 5.466 1.604 1.00 87.19 O ATOM 1893 OE2 GLU A 186 26.810 3.453 1.880 1.00 85.19 O ATOM 1894 HA GLU A 186 29.679 7.639 2.584 1.00 0.00 H ATOM 1895 HB2 GLU A 186 28.225 5.509 4.190 1.00 0.00 H ATOM 1896 HB3 GLU A 186 27.414 6.816 3.296 1.00 0.00 H ATOM 1897 HG2 GLU A 186 28.550 5.931 1.222 1.00 0.00 H ATOM 1898 HG3 GLU A 186 29.018 4.515 2.192 1.00 0.00 H ATOM 1899 H GLU A 186 31.548 6.437 3.028 1.00 0.00 H TER 1900 GLU A 186 HETATM 1901 CAA BYH A 1 11.249 -8.498 36.014 1.00 0.02 C HETATM 1902 NAV BYH A 1 10.920 -8.789 34.566 1.00 -0.26 N HETATM 1903 CAQ BYH A 1 10.186 -7.987 33.754 1.00 0.27 C HETATM 1904 SAB BYH A 1 9.509 -6.470 34.311 1.00 0.00 S HETATM 1905 H4 BYH A 1 9.003 -6.032 33.557 1.00 0.15 H HETATM 1906 NAW BYH A 1 10.087 -8.566 32.510 1.00 -0.17 N HETATM 1907 CAL BYH A 1 9.383 -8.112 31.233 1.00 0.08 C HETATM 1908 CAK BYH A 1 9.177 -6.605 30.902 1.00 0.04 C HETATM 1909 SAO BYH A 1 10.485 -6.048 29.738 1.00 -0.03 S HETATM 1910 CAP BYH A 1 11.782 -5.524 30.786 1.00 0.19 C HETATM 1911 NAM BYH A 1 12.956 -5.073 30.329 1.00 -0.24 N HETATM 1912 CAR BYH A 1 13.699 -4.785 31.404 1.00 0.08 C HETATM 1913 CAG BYH A 1 15.027 -4.289 31.552 1.00 -0.04 C HETATM 1914 CAC BYH A 1 15.525 -4.093 32.881 1.00 -0.08 C HETATM 1915 CAD BYH A 1 14.715 -4.379 34.027 1.00 -0.08 C HETATM 1916 CAH BYH A 1 13.398 -4.876 33.868 1.00 -0.07 C HETATM 1917 CAS BYH A 1 12.896 -5.082 32.553 1.00 0.02 C HETATM 1918 NAN BYH A 1 11.739 -5.530 32.118 1.00 -0.31 N HETATM 1919 H10 BYH A 1 12.783 -5.096 34.733 1.00 0.05 H HETATM 1920 H6 BYH A 1 15.112 -4.214 35.022 1.00 0.05 H HETATM 1921 H5 BYH A 1 16.534 -3.721 33.022 1.00 0.05 H HETATM 1922 H9 BYH A 1 15.641 -4.067 30.686 1.00 0.05 H HETATM 1923 H17 BYH A 1 13.233 -4.968 29.343 1.00 0.23 H HETATM 1924 H13 BYH A 1 9.236 -6.015 31.828 1.00 0.04 H HETATM 1925 H14 BYH A 1 8.190 -6.463 30.439 1.00 0.04 H HETATM 1926 H15 BYH A 1 9.957 -8.537 30.396 1.00 0.06 H HETATM 1927 H16 BYH A 1 8.380 -8.563 31.256 1.00 0.06 H HETATM 1928 CAU BYH A 1 10.768 -9.725 32.565 1.00 0.16 C HETATM 1929 CAJ BYH A 1 11.019 -10.745 31.606 1.00 0.02 C HETATM 1930 CAF BYH A 1 11.789 -11.886 31.964 1.00 -0.01 C HETATM 1931 CAE BYH A 1 12.316 -12.027 33.281 1.00 -0.01 C HETATM 1932 CAI BYH A 1 12.089 -11.035 34.263 1.00 0.01 C HETATM 1933 CAT BYH A 1 11.303 -9.867 33.899 1.00 0.12 C HETATM 1934 H11 BYH A 1 12.492 -11.143 35.264 1.00 0.10 H HETATM 1935 H7 BYH A 1 12.898 -12.906 33.533 1.00 0.07 H HETATM 1936 H8 BYH A 1 11.977 -12.658 31.226 1.00 0.10 H HETATM 1937 H12 BYH A 1 10.623 -10.653 30.601 1.00 0.08 H HETATM 1938 H1 BYH A 1 10.803 -7.535 36.305 1.00 0.04 H HETATM 1939 H2 BYH A 1 12.341 -8.449 36.139 1.00 0.04 H HETATM 1940 H3 BYH A 1 10.842 -9.298 36.650 1.00 0.04 H HETATM 1941 O HOH 1 12.300 -13.020 22.558 1.00 25.56 O HETATM 1942 O HOH 2 16.049 1.215 29.848 1.00 30.94 O HETATM 1943 O HOH 3 22.644 9.162 30.506 1.00 33.10 O HETATM 1944 O HOH 4 17.350 -1.988 29.923 1.00 29.51 O HETATM 1945 O HOH 5 13.703 2.882 26.436 1.00 18.95 O HETATM 1946 O HOH 6 12.926 -2.804 27.590 1.00 23.90 O HETATM 1947 O HOH 7 22.592 5.897 25.389 1.00 27.37 O HETATM 1948 O HOH 8 13.286 1.722 28.507 1.00 31.50 O HETATM 1949 O HOH 9 15.730 10.570 30.126 1.00 41.13 O HETATM 1950 O HOH 10 17.407 -17.107 20.328 1.00 32.01 O HETATM 1951 O HOH 11 18.358 -15.842 37.552 1.00 36.10 O HETATM 1952 O HOH 12 24.298 -11.923 38.319 1.00 28.05 O HETATM 1953 O HOH 13 20.404 5.242 32.618 1.00 23.20 O HETATM 1954 O HOH 14 20.677 6.457 35.467 1.00 45.67 O HETATM 1955 O HOH 15 11.268 2.955 29.990 1.00 30.64 O HETATM 1956 O HOH 16 16.195 -5.810 5.685 1.00 42.33 O HETATM 1957 O HOH 17 11.456 -16.955 24.279 1.00 31.83 O HETATM 1958 O HOH 18 28.890 -3.181 26.072 1.00 34.66 O HETATM 1959 O HOH 19 12.802 -18.994 25.666 1.00 32.71 O HETATM 1960 O HOH 20 26.203 13.079 15.748 1.00 47.47 O HETATM 1961 O HOH 21 33.559 5.175 1.293 1.00 48.48 O HETATM 1962 O HOH 22 11.247 0.027 16.207 1.00 45.24 O HETATM 1963 O HOH 23 23.845 -13.360 36.079 1.00 48.15 O HETATM 1964 O HOH 24 16.517 -1.731 32.488 1.00 25.22 O HETATM 1965 O HOH 25 9.980 -17.495 21.989 1.00 56.80 O HETATM 1966 O HOH 26 12.284 5.559 26.362 1.00 24.18 O HETATM 1967 O HOH 27 27.477 -10.548 28.640 1.00 37.92 O HETATM 1968 O HOH 28 21.027 -13.372 37.414 1.00 39.39 O HETATM 1969 O HOH 29 15.593 -2.254 27.734 1.00 37.92 O HETATM 1970 O HOH 30 31.438 5.055 14.462 1.00 44.94 O HETATM 1971 O HOH 31 22.073 -6.596 38.870 1.00 30.06 O CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 241 227 242 257 CONECT 242 241 243 245 256 CONECT 243 242 244 258 CONECT 244 243 CONECT 245 242 246 254 255 CONECT 246 245 247 252 253 CONECT 247 246 248 CONECT 248 247 249 250 251 CONECT 249 248 CONECT 250 248 CONECT 251 248 CONECT 252 246 CONECT 253 246 CONECT 254 245 CONECT 255 245 CONECT 256 242 CONECT 257 241 CONECT 828 816 829 844 CONECT 829 828 830 832 843 CONECT 830 829 831 845 CONECT 831 830 CONECT 832 829 833 841 842 CONECT 833 832 834 839 840 CONECT 834 833 835 CONECT 835 834 836 837 838 CONECT 836 835 CONECT 837 835 CONECT 838 835 CONECT 839 833 CONECT 840 833 CONECT 841 832 CONECT 842 832 CONECT 843 829 CONECT 844 828 CONECT 857 847 858 873 CONECT 858 857 859 861 872 CONECT 859 858 860 874 CONECT 860 859 CONECT 861 858 862 870 871 CONECT 862 861 863 868 869 CONECT 863 862 864 CONECT 864 863 865 866 867 CONECT 865 864 CONECT 866 864 CONECT 867 864 CONECT 868 862 CONECT 869 862 CONECT 870 861 CONECT 871 861 CONECT 872 858 CONECT 873 857 CONECT 1169 1160 1170 1185 CONECT 1170 1169 1171 1173 1184 CONECT 1171 1170 1172 1186 CONECT 1172 1171 CONECT 1173 1170 1174 1182 1183 CONECT 1174 1173 1175 1180 1181 CONECT 1175 1174 1176 CONECT 1176 1175 1177 1178 1179 CONECT 1177 1176 CONECT 1178 1176 CONECT 1179 1176 CONECT 1180 1174 CONECT 1181 1174 CONECT 1182 1173 CONECT 1183 1173 CONECT 1184 1170 CONECT 1185 1169 CONECT 1263 1251 1264 1279 CONECT 1264 1263 1265 1267 1278 CONECT 1265 1264 1266 1280 CONECT 1266 1265 CONECT 1267 1264 1268 1276 1277 CONECT 1268 1267 1269 1274 1275 CONECT 1269 1268 1270 CONECT 1270 1269 1271 1272 1273 CONECT 1271 1270 CONECT 1272 1270 CONECT 1273 1270 CONECT 1274 1268 CONECT 1275 1268 CONECT 1276 1267 CONECT 1277 1267 CONECT 1278 1264 CONECT 1279 1263 CONECT 1542 1525 1543 1558 CONECT 1543 1542 1544 1546 1557 CONECT 1544 1543 1545 1559 CONECT 1545 1544 CONECT 1546 1543 1547 1555 1556 CONECT 1547 1546 1548 1553 1554 CONECT 1548 1547 1549 CONECT 1549 1548 1550 1551 1552 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1549 CONECT 1553 1547 CONECT 1554 1547 CONECT 1555 1546 CONECT 1556 1546 CONECT 1557 1543 CONECT 1558 1542 CONECT 1790 1781 1791 1806 CONECT 1791 1790 1792 1794 1805 CONECT 1792 1791 1793 1807 CONECT 1793 1792 CONECT 1794 1791 1795 1803 1804 CONECT 1795 1794 1796 1801 1802 CONECT 1796 1795 1797 CONECT 1797 1796 1798 1799 1800 CONECT 1798 1797 CONECT 1799 1797 CONECT 1800 1797 CONECT 1801 1795 CONECT 1802 1795 CONECT 1803 1794 CONECT 1804 1794 CONECT 1805 1791 CONECT 1806 1790 CONECT 1901 1902 1938 1939 1940 CONECT 1902 1901 1903 1933 CONECT 1903 1902 1904 1906 CONECT 1904 1903 1905 CONECT 1905 1904 CONECT 1906 1903 1907 1928 CONECT 1907 1906 1908 1926 1927 CONECT 1908 1907 1909 1924 1925 CONECT 1909 1908 1910 CONECT 1910 1909 1911 1918 CONECT 1911 1910 1912 1923 CONECT 1912 1911 1913 1917 CONECT 1913 1912 1914 1922 CONECT 1914 1913 1915 1921 CONECT 1915 1914 1916 1920 CONECT 1916 1915 1917 1919 CONECT 1917 1912 1916 1918 CONECT 1918 1910 1917 CONECT 1919 1916 CONECT 1920 1915 CONECT 1921 1914 CONECT 1922 1913 CONECT 1923 1911 CONECT 1924 1908 CONECT 1925 1908 CONECT 1926 1907 CONECT 1927 1907 CONECT 1928 1906 1929 1933 CONECT 1929 1928 1930 1937 CONECT 1930 1929 1931 1936 CONECT 1931 1930 1932 1935 CONECT 1932 1931 1933 1934 CONECT 1933 1902 1928 1932 CONECT 1934 1932 CONECT 1935 1931 CONECT 1936 1930 CONECT 1937 1929 CONECT 1938 1901 CONECT 1939 1901 CONECT 1940 1901 MASTER 0 0 0 0 0 0 0 0 1970 1 163 9 END
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Related entries of code: 3aqa
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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4a9m
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PDBbind
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4a9n
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
154aa, >4ALG_1|Chain... at 100%
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RCSB PDB
PDBbind
154aa, >4UYF_2|Chains... at 100%
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RCSB PDB
PDBbind
154aa, >4UYH_1|Chains... at 100%
6mo9
RCSB PDB
PDBbind
126aa, >6MO9_1|Chains... at 98%
6mo8
RCSB PDB
PDBbind
126aa, >6MO8_1|Chains... at 98%
6mo7
RCSB PDB
PDBbind
126aa, >6MO7_1|Chains... at 98%
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RCSB PDB
PDBbind
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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
3aqa
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human BRD2 BD1 bromodomain
Ligand Name
BYH
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=28uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Bioorg. Med. Chem., Vol.20, pp.1887-1892
Ligand Properties
Formula
C
1
7
H
1
7
N
4
S
2
Molecular Weight
341.474
Exact Mass
341.089
No. of atoms
40
No. of bonds
43
Polar Surface Area
102.64
LOGP Value
4.09 (
Computed with XLOGP3
)
4.22 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
Cn1c(S)n(c2c1cccc2)CCSc1nc2c([nH]1)cccc2
InChI String
InChI=1S/C17H17N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9,22H,10-11H2,1H3,(H,18,19)
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):
P25440
Entrez Gene ID
NCBI Entrez Gene ID:
6046
ASD
Information of known allosteric effects of PDB entries
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