Browse entries in the PDBbind-CN Database
HEADER 6QGJ_COMPLEX COMPND 6QGJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 20 ASN ARG GLU ILE VAL MET LYS TYR ILE SER TYR LYS LEU SEQRES 2 A 20 SER GLN ARG GLY TYR GLU TRP SEQRES 1 A 126 GLU SER GLU VAL VAL HIS GLN THR LEU ARG GLN ALA GLY SEQRES 2 A 126 ASP ASP PHE SER LEU ARG TYR ARG ARG ASP PHE ALA GLU SEQRES 3 A 126 MET SER SER GLN LEU HIS LEU THR PRO GLY THR ALA TYR SEQRES 4 A 126 ALA SER PHE ALA THR VAL VAL GLU GLU LEU PHE ARG ASP SEQRES 5 A 126 GLY VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE SEQRES 6 A 126 GLY GLY VAL MET CYS VAL GLU SER VAL ASN ARG GLU MET SEQRES 7 A 126 SER VAL LEU VAL ASP ASN ILE ALA ALA TRP MET ALA THR SEQRES 8 A 126 TYR LEU ASN ASP HIS LEU HIS THR TRP ILE GLN ASP ASN SEQRES 9 A 126 GLY GLY TRP ASP ALA PHE VAL GLU LEU TYR GLY ASN ASN SEQRES 10 A 126 ALA ALA ALA GLU SER ARG LYS GLY GLN HET J A 1T 120 ATOM 1 N ASN A 11 20.229 -1.846 16.394 1.00 76.18 N ATOM 2 CA ASN A 11 20.449 -1.023 15.154 1.00 78.64 C ATOM 3 C ASN A 11 20.204 0.463 15.504 1.00 75.59 C ATOM 4 O ASN A 11 19.237 0.755 16.209 1.00 75.28 O ATOM 5 CB ASN A 11 19.556 -1.559 14.024 1.00 77.97 C ATOM 6 CG ASN A 11 19.450 -3.075 13.965 1.00 84.05 C ATOM 7 OD1 ASN A 11 18.359 -3.638 13.792 1.00 55.73 O ATOM 8 ND2 ASN A 11 20.580 -3.752 14.108 1.00 91.76 N ATOM 9 HD22 ASN A 11 21.476 -3.244 14.251 1.00 0.00 H ATOM 10 HD21 ASN A 11 20.571 -4.791 14.077 1.00 0.00 H ATOM 11 HN3 ASN A 11 19.253 -1.715 16.727 1.00 0.00 H ATOM 12 HN2 ASN A 11 20.893 -1.540 17.134 1.00 0.00 H ATOM 13 HN1 ASN A 11 20.390 -2.850 16.175 1.00 0.00 H ATOM 14 N ARG A 12 21.068 1.394 15.054 1.00 66.52 N ATOM 15 CA ARG A 12 20.876 2.841 15.354 1.00 48.92 C ATOM 16 C ARG A 12 20.828 3.733 14.097 1.00 50.73 C ATOM 17 O ARG A 12 20.081 4.737 14.061 1.00 40.69 O ATOM 18 CB ARG A 12 21.962 3.381 16.286 1.00 58.47 C ATOM 19 CG ARG A 12 21.997 4.905 16.369 1.00 57.47 C ATOM 20 CD ARG A 12 23.235 5.475 17.043 1.00 62.12 C ATOM 21 NE ARG A 12 23.459 6.886 16.728 1.00 70.38 N ATOM 22 CZ ARG A 12 23.800 7.359 15.525 1.00 70.19 C ATOM 23 NH1 ARG A 12 23.783 6.563 14.467 1.00 74.15 N ATOM 24 NH2 ARG A 12 24.144 8.630 15.381 1.00 68.45 N ATOM 25 HE ARG A 12 23.344 7.574 17.499 1.00 0.00 H ATOM 26 HH12 ARG A 12 24.049 6.934 13.533 1.00 0.00 H ATOM 27 HH11 ARG A 12 23.504 5.567 14.570 1.00 0.00 H ATOM 28 HH22 ARG A 12 24.409 8.994 14.443 1.00 0.00 H ATOM 29 HH21 ARG A 12 24.149 9.264 16.205 1.00 0.00 H ATOM 30 H ARG A 12 21.886 1.096 14.485 1.00 0.00 H ATOM 31 N GLU A 13 21.664 3.454 13.092 1.00 43.54 N ATOM 32 CA GLU A 13 21.585 4.158 11.814 1.00 41.68 C ATOM 33 C GLU A 13 20.175 4.026 11.243 1.00 34.21 C ATOM 34 O GLU A 13 19.643 4.945 10.590 1.00 38.00 O ATOM 35 CB GLU A 13 22.520 3.526 10.774 1.00 50.90 C ATOM 36 CG GLU A 13 23.967 3.960 10.923 1.00 64.59 C ATOM 37 CD GLU A 13 24.283 5.314 10.310 1.00 72.32 C ATOM 38 OE1 GLU A 13 23.325 6.010 9.887 1.00 72.53 O ATOM 39 OE2 GLU A 13 25.494 5.663 10.246 1.00 81.77 O ATOM 40 H GLU A 13 22.388 2.719 13.223 1.00 0.00 H ATOM 41 N ILE A 14 19.643 2.817 11.357 1.00 31.74 N ATOM 42 CA ILE A 14 18.296 2.522 10.822 1.00 32.48 C ATOM 43 C ILE A 14 17.288 3.514 11.428 1.00 28.83 C ATOM 44 O ILE A 14 16.426 4.086 10.707 1.00 30.05 O ATOM 45 CB ILE A 14 17.963 1.032 11.061 1.00 37.32 C ATOM 46 CG1 ILE A 14 16.681 0.590 10.353 1.00 39.88 C ATOM 47 CG2 ILE A 14 17.936 0.673 12.540 1.00 40.11 C ATOM 48 CD1 ILE A 14 16.710 -0.876 9.945 1.00 46.52 C ATOM 49 H ILE A 14 20.182 2.064 11.830 1.00 0.00 H ATOM 50 N VAL A 15 17.396 3.764 12.744 1.00 29.34 N ATOM 51 CA VAL A 15 16.536 4.713 13.414 1.00 27.04 C ATOM 52 C VAL A 15 16.753 6.140 12.875 1.00 28.55 C ATOM 53 O VAL A 15 15.806 6.852 12.531 1.00 26.44 O ATOM 54 CB VAL A 15 16.735 4.640 14.936 1.00 26.71 C ATOM 55 CG1 VAL A 15 16.060 5.806 15.619 1.00 26.17 C ATOM 56 CG2 VAL A 15 16.281 3.322 15.501 1.00 24.12 C ATOM 57 H VAL A 15 18.119 3.260 13.296 1.00 0.00 H ATOM 58 N MET A 16 18.006 6.604 12.816 1.00 31.06 N ATOM 59 CA MET A 16 18.270 8.004 12.451 1.00 34.56 C ATOM 60 C MET A 16 17.829 8.288 11.012 1.00 30.75 C ATOM 61 O MET A 16 17.276 9.345 10.791 1.00 35.66 O ATOM 62 CB MET A 16 19.751 8.415 12.589 1.00 40.23 C ATOM 63 CG MET A 16 20.351 8.122 13.954 1.00 42.62 C ATOM 64 SD MET A 16 19.486 8.936 15.325 1.00 58.94 S ATOM 65 CE MET A 16 19.920 7.839 16.681 1.00 64.55 C ATOM 66 H MET A 16 18.801 5.969 13.030 1.00 0.00 H ATOM 67 N LYS A 17 18.043 7.339 10.078 1.00 31.21 N ATOM 68 CA LYS A 17 17.635 7.487 8.689 1.00 31.95 C ATOM 69 C LYS A 17 16.115 7.521 8.560 1.00 32.19 C ATOM 70 O LYS A 17 15.589 8.285 7.768 1.00 27.59 O ATOM 71 CB LYS A 17 18.252 6.407 7.800 1.00 35.10 C ATOM 72 CG LYS A 17 19.776 6.460 7.661 1.00 42.63 C ATOM 73 CD LYS A 17 20.325 5.252 6.860 1.00 53.40 C ATOM 74 CE LYS A 17 21.577 5.533 6.053 1.00 55.93 C ATOM 75 NZ LYS A 17 21.330 6.614 5.067 1.00 60.18 N ATOM 76 HZ1 LYS A 17 20.569 6.324 4.420 1.00 0.00 H ATOM 77 HZ2 LYS A 17 21.049 7.481 5.568 1.00 0.00 H ATOM 78 HZ3 LYS A 17 22.199 6.792 4.524 1.00 0.00 H ATOM 79 H LYS A 17 18.522 6.461 10.364 1.00 0.00 H ATOM 80 N TYR A 18 15.408 6.734 9.381 1.00 30.02 N ATOM 81 CA TYR A 18 13.959 6.703 9.336 1.00 27.34 C ATOM 82 C TYR A 18 13.384 8.054 9.770 1.00 30.57 C ATOM 83 O TYR A 18 12.476 8.666 9.081 1.00 30.99 O ATOM 84 CB TYR A 18 13.372 5.583 10.213 1.00 25.46 C ATOM 85 CG TYR A 18 11.948 5.249 9.857 1.00 28.29 C ATOM 86 CD1 TYR A 18 11.703 4.331 8.862 1.00 31.27 C ATOM 87 CD2 TYR A 18 10.850 5.783 10.520 1.00 29.24 C ATOM 88 CE1 TYR A 18 10.416 3.981 8.490 1.00 37.35 C ATOM 89 CE2 TYR A 18 9.555 5.487 10.118 1.00 31.39 C ATOM 90 CZ TYR A 18 9.336 4.568 9.104 1.00 32.14 C ATOM 91 OH TYR A 18 8.072 4.194 8.712 1.00 37.51 O ATOM 92 HH TYR A 18 7.576 4.991 8.396 1.00 0.00 H ATOM 93 H TYR A 18 15.909 6.132 10.065 1.00 0.00 H ATOM 94 N ILE A 19 13.828 8.496 10.944 1.00 28.37 N ATOM 95 CA ILE A 19 13.331 9.691 11.520 1.00 29.10 C ATOM 96 C ILE A 19 13.645 10.857 10.576 1.00 29.93 C ATOM 97 O ILE A 19 12.816 11.676 10.336 1.00 31.05 O ATOM 98 CB ILE A 19 13.916 9.917 12.916 1.00 28.77 C ATOM 99 CG1 ILE A 19 13.439 8.861 13.916 1.00 31.11 C ATOM 100 CG2 ILE A 19 13.613 11.315 13.384 1.00 31.64 C ATOM 101 CD1 ILE A 19 14.218 8.895 15.215 1.00 31.96 C ATOM 102 H ILE A 19 14.556 7.952 11.450 1.00 0.00 H ATOM 103 N SER A 20 14.858 10.892 10.061 1.00 35.82 N ATOM 104 CA SER A 20 15.218 11.960 9.142 1.00 43.22 C ATOM 105 C SER A 20 14.249 12.018 7.947 1.00 44.89 C ATOM 106 O SER A 20 13.727 13.103 7.608 1.00 42.44 O ATOM 107 CB SER A 20 16.645 11.820 8.723 1.00 42.89 C ATOM 108 OG SER A 20 16.852 12.700 7.648 1.00 52.16 O ATOM 109 HG SER A 20 17.792 12.633 7.344 1.00 0.00 H ATOM 110 H SER A 20 15.553 10.160 10.310 1.00 0.00 H ATOM 111 N TYR A 21 13.931 10.858 7.349 1.00 43.13 N ATOM 112 CA TYR A 21 12.920 10.770 6.298 1.00 40.24 C ATOM 113 C TYR A 21 11.543 11.240 6.770 1.00 39.00 C ATOM 114 O TYR A 21 10.891 11.966 6.028 1.00 45.32 O ATOM 115 CB TYR A 21 12.820 9.358 5.699 1.00 39.88 C ATOM 116 CG TYR A 21 11.696 9.113 4.703 1.00 41.29 C ATOM 117 CD1 TYR A 21 11.743 9.594 3.393 1.00 43.57 C ATOM 118 CD2 TYR A 21 10.615 8.302 5.031 1.00 39.84 C ATOM 119 CE1 TYR A 21 10.731 9.319 2.473 1.00 41.55 C ATOM 120 CE2 TYR A 21 9.604 8.004 4.126 1.00 44.45 C ATOM 121 CZ TYR A 21 9.658 8.516 2.835 1.00 46.09 C ATOM 122 OH TYR A 21 8.662 8.194 1.952 1.00 43.19 O ATOM 123 HH TYR A 21 8.636 7.212 1.830 1.00 0.00 H ATOM 124 H TYR A 21 14.423 9.991 7.645 1.00 0.00 H ATOM 125 N LYS A 22 11.034 10.797 7.935 1.00 35.99 N ATOM 126 CA LYS A 22 9.654 11.181 8.293 1.00 34.59 C ATOM 127 C LYS A 22 9.595 12.701 8.516 1.00 33.68 C ATOM 128 O LYS A 22 8.528 13.329 8.274 1.00 40.07 O ATOM 129 CB LYS A 22 9.102 10.534 9.570 1.00 34.51 C ATOM 130 CG LYS A 22 9.043 9.014 9.556 1.00 35.93 C ATOM 131 CD LYS A 22 8.479 8.382 8.283 1.00 37.61 C ATOM 132 CE LYS A 22 6.972 8.489 8.200 1.00 37.82 C ATOM 133 NZ LYS A 22 6.450 7.830 6.972 1.00 34.98 N ATOM 134 HZ1 LYS A 22 6.861 8.287 6.133 1.00 0.00 H ATOM 135 HZ2 LYS A 22 6.711 6.823 6.983 1.00 0.00 H ATOM 136 HZ3 LYS A 22 5.414 7.921 6.945 1.00 0.00 H ATOM 137 H LYS A 22 11.600 10.198 8.569 1.00 0.00 H ATOM 138 N LEU A 23 10.709 13.268 8.996 1.00 34.75 N ATOM 139 CA LEU A 23 10.785 14.754 9.266 1.00 39.06 C ATOM 140 C LEU A 23 10.762 15.528 7.928 1.00 48.00 C ATOM 141 O LEU A 23 10.195 16.620 7.855 1.00 58.09 O ATOM 142 CB LEU A 23 12.012 15.033 10.144 1.00 39.17 C ATOM 143 CG LEU A 23 11.810 14.656 11.626 1.00 37.56 C ATOM 144 CD1 LEU A 23 13.049 14.876 12.467 1.00 38.37 C ATOM 145 CD2 LEU A 23 10.656 15.435 12.214 1.00 38.05 C ATOM 146 H LEU A 23 11.540 12.673 9.187 1.00 0.00 H ATOM 147 N SER A 24 11.335 14.934 6.875 1.00 46.44 N ATOM 148 CA SER A 24 11.333 15.455 5.479 1.00 44.30 C ATOM 149 C SER A 24 9.925 15.528 4.873 1.00 50.71 C ATOM 150 O SER A 24 9.568 16.558 4.251 1.00 47.12 O ATOM 151 CB SER A 24 12.224 14.637 4.601 1.00 47.98 C ATOM 152 OG SER A 24 13.558 15.045 4.776 1.00 49.74 O ATOM 153 HG SER A 24 14.147 14.502 4.194 1.00 0.00 H ATOM 154 H SER A 24 11.823 14.032 7.045 1.00 0.00 H ATOM 155 N GLN A 25 9.114 14.475 5.037 1.00 46.47 N ATOM 156 CA GLN A 25 7.749 14.473 4.477 1.00 53.04 C ATOM 157 C GLN A 25 6.957 15.687 4.993 1.00 56.70 C ATOM 158 O GLN A 25 5.968 16.080 4.361 1.00 60.77 O ATOM 159 CB GLN A 25 7.018 13.162 4.781 1.00 51.52 C ATOM 160 CG GLN A 25 7.584 11.972 4.011 1.00 52.41 C ATOM 161 CD GLN A 25 6.974 10.657 4.431 1.00 55.65 C ATOM 162 OE1 GLN A 25 6.826 10.363 5.624 1.00 51.46 O ATOM 163 NE2 GLN A 25 6.649 9.835 3.443 1.00 51.40 N ATOM 164 HE22 GLN A 25 6.792 10.127 2.455 1.00 0.00 H ATOM 165 HE21 GLN A 25 6.251 8.898 3.656 1.00 0.00 H ATOM 166 H GLN A 25 9.451 13.646 5.567 1.00 0.00 H ATOM 167 N ARG A 26 7.380 16.258 6.132 1.00 60.10 N ATOM 168 CA ARG A 26 6.846 17.529 6.667 1.00 63.96 C ATOM 169 C ARG A 26 7.799 18.713 6.416 1.00 64.78 C ATOM 170 O ARG A 26 7.557 19.782 6.917 1.00 72.59 O ATOM 171 CB ARG A 26 6.606 17.387 8.171 1.00 63.42 C ATOM 172 CG ARG A 26 5.703 16.224 8.542 1.00 64.21 C ATOM 173 CD ARG A 26 4.398 16.252 7.776 1.00 65.96 C ATOM 174 NE ARG A 26 3.377 15.489 8.476 1.00 70.45 N ATOM 175 CZ ARG A 26 2.955 14.280 8.126 1.00 73.77 C ATOM 176 NH1 ARG A 26 3.440 13.693 7.042 1.00 72.19 N ATOM 177 NH2 ARG A 26 2.055 13.662 8.870 1.00 75.47 N ATOM 178 HE ARG A 26 2.944 15.924 9.316 1.00 0.00 H ATOM 179 HH12 ARG A 26 3.107 12.746 6.771 1.00 0.00 H ATOM 180 HH11 ARG A 26 4.154 14.179 6.462 1.00 0.00 H ATOM 181 HH22 ARG A 26 1.720 12.715 8.601 1.00 0.00 H ATOM 182 HH21 ARG A 26 1.681 14.123 9.724 1.00 0.00 H ATOM 183 H ARG A 26 8.129 15.777 6.671 1.00 0.00 H ATOM 184 N GLY A 27 8.891 18.509 5.673 1.00 71.93 N ATOM 185 CA GLY A 27 9.806 19.585 5.219 1.00 70.87 C ATOM 186 C GLY A 27 10.867 20.031 6.225 1.00 72.45 C ATOM 187 O GLY A 27 11.619 20.964 5.951 1.00 79.69 O ATOM 188 H GLY A 27 9.114 17.532 5.395 1.00 0.00 H ATOM 189 N TYR A 28 11.008 19.352 7.364 1.00 65.37 N ATOM 190 CA TYR A 28 11.832 19.872 8.473 1.00 62.96 C ATOM 191 C TYR A 28 13.220 19.238 8.594 1.00 63.80 C ATOM 192 O TYR A 28 13.330 18.180 9.063 1.00 78.84 O ATOM 193 CB TYR A 28 11.223 19.487 9.815 1.00 61.77 C ATOM 194 CG TYR A 28 12.118 19.771 10.994 1.00 60.32 C ATOM 195 CD1 TYR A 28 12.085 21.012 11.580 1.00 56.36 C ATOM 196 CD2 TYR A 28 12.993 18.835 11.519 1.00 54.98 C ATOM 197 CE1 TYR A 28 12.830 21.309 12.708 1.00 51.38 C ATOM 198 CE2 TYR A 28 13.767 19.117 12.629 1.00 51.64 C ATOM 199 CZ TYR A 28 13.681 20.359 13.235 1.00 52.24 C ATOM 200 OH TYR A 28 14.438 20.655 14.335 1.00 49.55 O ATOM 201 HH TYR A 28 14.245 21.581 14.628 1.00 0.00 H ATOM 202 H TYR A 28 10.527 18.436 7.473 1.00 0.00 H ATOM 203 N GLU A 29 14.308 19.985 8.428 1.00 59.87 N ATOM 204 CA GLU A 29 15.685 19.334 8.372 1.00 68.12 C ATOM 205 C GLU A 29 16.273 18.858 9.739 1.00 67.50 C ATOM 206 O GLU A 29 16.341 19.628 10.689 1.00 63.74 O ATOM 207 CB GLU A 29 16.604 20.334 7.660 1.00 78.76 C ATOM 208 CG GLU A 29 17.928 19.749 7.186 1.00 81.46 C ATOM 209 CD GLU A 29 17.969 19.273 5.740 1.00 83.35 C ATOM 210 OE1 GLU A 29 19.091 19.086 5.216 1.00 86.25 O ATOM 211 OE2 GLU A 29 16.887 19.099 5.135 1.00 85.72 O ATOM 212 H GLU A 29 14.219 21.017 8.336 1.00 0.00 H ATOM 213 N TRP A 30 16.806 17.610 9.807 1.00 66.15 N ATOM 214 CA TRP A 30 17.382 16.983 11.024 1.00 60.11 C ATOM 215 C TRP A 30 18.570 16.106 10.620 1.00 63.79 C ATOM 216 O TRP A 30 19.512 15.928 11.391 1.00 70.73 O ATOM 217 CB TRP A 30 16.329 16.160 11.783 1.00 56.40 C ATOM 218 CG TRP A 30 16.777 15.572 13.094 1.00 48.90 C ATOM 219 CD1 TRP A 30 16.898 16.224 14.288 1.00 48.81 C ATOM 220 CD2 TRP A 30 17.097 14.193 13.370 1.00 50.01 C ATOM 221 NE1 TRP A 30 17.303 15.362 15.272 1.00 46.98 N ATOM 222 CE2 TRP A 30 17.423 14.104 14.742 1.00 50.40 C ATOM 223 CE3 TRP A 30 17.096 13.012 12.610 1.00 51.43 C ATOM 224 CZ2 TRP A 30 17.782 12.895 15.347 1.00 48.49 C ATOM 225 CZ3 TRP A 30 17.474 11.824 13.206 1.00 41.15 C ATOM 226 CH2 TRP A 30 17.806 11.766 14.556 1.00 43.57 C ATOM 227 HE1 TRP A 30 17.489 15.620 16.262 1.00 0.00 H ATOM 228 H TRP A 30 16.811 17.046 8.933 1.00 0.00 H TER 229 TRP A 30 ATOM 230 N GLU A 47 23.245 -2.142 7.757 1.00 60.57 N ATOM 231 CA GLU A 47 22.275 -2.645 6.774 1.00 57.49 C ATOM 232 C GLU A 47 22.384 -1.834 5.472 1.00 56.96 C ATOM 233 O GLU A 47 22.645 -0.615 5.483 1.00 57.25 O ATOM 234 CB GLU A 47 20.854 -2.602 7.348 1.00 58.02 C ATOM 235 CG GLU A 47 20.719 -3.292 8.701 1.00 58.57 C ATOM 236 CD GLU A 47 20.993 -2.394 9.903 1.00 73.80 C ATOM 237 OE1 GLU A 47 21.248 -1.181 9.692 1.00 82.46 O ATOM 238 OE2 GLU A 47 20.953 -2.897 11.054 1.00 74.09 O ATOM 239 HN3 GLU A 47 23.046 -1.141 7.957 1.00 0.00 H ATOM 240 HN2 GLU A 47 24.207 -2.236 7.372 1.00 0.00 H ATOM 241 HN1 GLU A 47 23.166 -2.695 8.634 1.00 0.00 H ATOM 242 N SER A 48 22.138 -2.521 4.349 1.00 50.32 N ATOM 243 CA SER A 48 22.233 -1.952 2.987 1.00 54.30 C ATOM 244 C SER A 48 21.104 -0.939 2.745 1.00 46.66 C ATOM 245 O SER A 48 20.116 -0.896 3.505 1.00 47.93 O ATOM 246 CB SER A 48 22.241 -3.064 1.945 1.00 56.71 C ATOM 247 OG SER A 48 21.077 -3.880 2.046 1.00 60.71 O ATOM 248 HG SER A 48 21.113 -4.591 1.358 1.00 0.00 H ATOM 249 H SER A 48 21.862 -3.520 4.441 1.00 0.00 H ATOM 250 N GLU A 49 21.233 -0.136 1.678 1.00 43.11 N ATOM 251 CA GLU A 49 20.222 0.886 1.307 1.00 38.03 C ATOM 252 C GLU A 49 18.838 0.262 1.069 1.00 37.18 C ATOM 253 O GLU A 49 17.829 0.914 1.246 1.00 31.90 O ATOM 254 CB GLU A 49 20.631 1.656 0.052 1.00 46.76 C ATOM 255 CG GLU A 49 19.598 2.644 -0.473 1.00 50.82 C ATOM 256 CD GLU A 49 19.062 3.749 0.431 1.00 61.06 C ATOM 257 OE1 GLU A 49 19.724 4.095 1.435 1.00 59.20 O ATOM 258 OE2 GLU A 49 17.968 4.283 0.109 1.00 61.47 O ATOM 259 H GLU A 49 22.080 -0.234 1.083 1.00 0.00 H ATOM 260 N VAL A 92 18.788 -0.958 0.552 1.00 34.11 N ATOM 261 CA VAL A 92 17.484 -1.506 0.176 1.00 33.98 C ATOM 262 C VAL A 92 16.674 -1.776 1.455 1.00 32.39 C ATOM 263 O VAL A 92 15.444 -1.686 1.451 1.00 29.73 O ATOM 264 CB VAL A 92 17.633 -2.766 -0.683 1.00 38.16 C ATOM 265 CG1 VAL A 92 16.337 -3.554 -0.809 1.00 36.85 C ATOM 266 CG2 VAL A 92 18.117 -2.384 -2.062 1.00 48.68 C ATOM 267 H VAL A 92 19.657 -1.514 0.417 1.00 0.00 H ATOM 268 N VAL A 93 17.363 -2.151 2.534 1.00 31.57 N ATOM 269 CA VAL A 93 16.678 -2.303 3.846 1.00 31.96 C ATOM 270 C VAL A 93 16.013 -0.984 4.243 1.00 26.87 C ATOM 271 O VAL A 93 14.829 -0.941 4.593 1.00 27.20 O ATOM 272 CB VAL A 93 17.629 -2.844 4.934 1.00 31.32 C ATOM 273 CG1 VAL A 93 17.033 -2.714 6.316 1.00 33.76 C ATOM 274 CG2 VAL A 93 18.090 -4.259 4.636 1.00 32.25 C ATOM 275 H VAL A 93 18.383 -2.338 2.458 1.00 0.00 H ATOM 276 N HIS A 94 16.759 0.141 4.198 1.00 31.12 N ATOM 277 CA HIS A 94 16.228 1.445 4.593 1.00 31.06 C ATOM 278 C HIS A 94 15.077 1.875 3.679 1.00 27.94 C ATOM 279 O HIS A 94 14.058 2.378 4.131 1.00 26.67 O ATOM 280 CB HIS A 94 17.350 2.511 4.628 1.00 33.99 C ATOM 281 CG HIS A 94 18.475 2.130 5.525 1.00 33.38 C ATOM 282 ND1 HIS A 94 18.343 2.090 6.903 1.00 37.02 N ATOM 283 CD2 HIS A 94 19.751 1.780 5.265 1.00 37.73 C ATOM 284 CE1 HIS A 94 19.493 1.711 7.442 1.00 39.76 C ATOM 285 NE2 HIS A 94 20.371 1.511 6.461 1.00 37.19 N ATOM 286 H HIS A 94 17.744 0.078 3.871 1.00 0.00 H ATOM 287 N GLN A 95 15.216 1.688 2.355 1.00 30.23 N ATOM 288 CA GLN A 95 14.119 2.073 1.420 1.00 28.80 C ATOM 289 C GLN A 95 12.865 1.215 1.680 1.00 25.26 C ATOM 290 O GLN A 95 11.782 1.706 1.623 1.00 27.93 O ATOM 291 CB GLN A 95 14.593 1.897 -0.032 1.00 32.36 C ATOM 292 CG GLN A 95 13.504 1.519 -1.031 1.00 42.36 C ATOM 293 CD GLN A 95 14.013 1.272 -2.436 1.00 43.67 C ATOM 294 OE1 GLN A 95 13.728 0.232 -3.053 1.00 36.04 O ATOM 295 NE2 GLN A 95 14.772 2.240 -2.941 1.00 37.72 N ATOM 296 HE22 GLN A 95 14.976 3.089 -2.376 1.00 0.00 H ATOM 297 HE21 GLN A 95 15.161 2.148 -3.901 1.00 0.00 H ATOM 298 H GLN A 95 16.093 1.273 1.981 1.00 0.00 H ATOM 299 N THR A 96 13.047 -0.089 1.868 1.00 25.83 N ATOM 300 CA THR A 96 11.905 -0.974 2.037 1.00 24.44 C ATOM 301 C THR A 96 11.181 -0.580 3.315 1.00 24.38 C ATOM 302 O THR A 96 9.922 -0.522 3.402 1.00 26.00 O ATOM 303 CB THR A 96 12.370 -2.438 1.988 1.00 25.35 C ATOM 304 OG1 THR A 96 13.066 -2.624 0.737 1.00 24.95 O ATOM 305 CG2 THR A 96 11.220 -3.424 2.125 1.00 24.38 C ATOM 306 HG1 THR A 96 13.842 -2.010 0.698 1.00 0.00 H ATOM 307 H THR A 96 14.011 -0.478 1.894 1.00 0.00 H ATOM 308 N LEU A 97 11.978 -0.304 4.369 1.00 25.36 N ATOM 309 CA LEU A 97 11.318 0.043 5.634 1.00 28.16 C ATOM 310 C LEU A 97 10.512 1.351 5.486 1.00 28.72 C ATOM 311 O LEU A 97 9.372 1.437 5.961 1.00 27.74 O ATOM 312 CB LEU A 97 12.365 0.057 6.747 1.00 26.81 C ATOM 313 CG LEU A 97 11.841 0.509 8.106 1.00 28.54 C ATOM 314 CD1 LEU A 97 10.854 -0.521 8.691 1.00 26.39 C ATOM 315 CD2 LEU A 97 13.007 0.721 9.046 1.00 29.74 C ATOM 316 H LEU A 97 13.014 -0.336 4.289 1.00 0.00 H ATOM 317 N ARG A 98 11.078 2.378 4.817 1.00 31.02 N ATOM 318 CA ARG A 98 10.341 3.624 4.482 1.00 30.63 C ATOM 319 C ARG A 98 9.028 3.286 3.779 1.00 28.89 C ATOM 320 O ARG A 98 7.970 3.818 4.128 1.00 29.84 O ATOM 321 CB ARG A 98 11.048 4.531 3.458 1.00 36.79 C ATOM 322 CG ARG A 98 12.254 5.299 3.958 1.00 49.23 C ATOM 323 CD ARG A 98 12.511 6.475 3.029 1.00 52.54 C ATOM 324 NE ARG A 98 12.949 6.086 1.691 1.00 55.96 N ATOM 325 CZ ARG A 98 14.213 5.829 1.366 1.00 60.34 C ATOM 326 NH1 ARG A 98 15.144 5.780 2.305 1.00 61.63 N ATOM 327 NH2 ARG A 98 14.540 5.599 0.108 1.00 61.07 N ATOM 328 HE ARG A 98 12.228 6.005 0.946 1.00 0.00 H ATOM 329 HH12 ARG A 98 16.132 5.579 2.048 1.00 0.00 H ATOM 330 HH11 ARG A 98 14.888 5.943 3.300 1.00 0.00 H ATOM 331 HH22 ARG A 98 15.529 5.398 -0.144 1.00 0.00 H ATOM 332 HH21 ARG A 98 13.809 5.619 -0.631 1.00 0.00 H ATOM 333 H ARG A 98 12.072 2.293 4.524 1.00 0.00 H ATOM 334 N GLN A 99 9.123 2.442 2.743 1.00 31.47 N ATOM 335 CA GLN A 99 7.948 2.108 1.889 1.00 32.48 C ATOM 336 C GLN A 99 6.891 1.365 2.718 1.00 29.43 C ATOM 337 O GLN A 99 5.667 1.708 2.660 1.00 25.37 O ATOM 338 CB GLN A 99 8.374 1.303 0.655 1.00 35.44 C ATOM 339 CG GLN A 99 9.141 2.123 -0.371 1.00 41.77 C ATOM 340 CD GLN A 99 9.625 1.379 -1.605 1.00 49.14 C ATOM 341 OE1 GLN A 99 9.680 0.152 -1.673 1.00 48.15 O ATOM 342 NE2 GLN A 99 10.038 2.141 -2.604 1.00 54.43 N ATOM 343 HE22 GLN A 99 9.983 3.177 -2.525 1.00 0.00 H ATOM 344 HE21 GLN A 99 10.418 1.705 -3.468 1.00 0.00 H ATOM 345 H GLN A 99 10.043 2.007 2.528 1.00 0.00 H ATOM 346 N ALA A 100 7.348 0.381 3.520 1.00 26.84 N ATOM 347 CA ALA A 100 6.431 -0.401 4.354 1.00 26.45 C ATOM 348 C ALA A 100 5.733 0.529 5.361 1.00 24.39 C ATOM 349 O ALA A 100 4.553 0.379 5.613 1.00 24.95 O ATOM 350 CB ALA A 100 7.173 -1.553 5.037 1.00 28.65 C ATOM 351 H ALA A 100 8.367 0.174 3.547 1.00 0.00 H ATOM 352 N GLY A 101 6.459 1.514 5.912 1.00 23.78 N ATOM 353 CA GLY A 101 5.892 2.493 6.841 1.00 25.17 C ATOM 354 C GLY A 101 4.807 3.377 6.242 1.00 26.16 C ATOM 355 O GLY A 101 3.747 3.599 6.853 1.00 26.79 O ATOM 356 H GLY A 101 7.468 1.585 5.669 1.00 0.00 H ATOM 357 N ASP A 102 5.045 3.831 5.027 1.00 30.97 N ATOM 358 CA ASP A 102 4.083 4.608 4.268 1.00 30.89 C ATOM 359 C ASP A 102 2.836 3.752 4.044 1.00 30.06 C ATOM 360 O ASP A 102 1.700 4.225 4.255 1.00 33.99 O ATOM 361 CB ASP A 102 4.741 5.147 2.981 1.00 35.02 C ATOM 362 CG ASP A 102 5.799 6.246 3.169 1.00 36.79 C ATOM 363 OD1 ASP A 102 5.694 7.054 4.121 1.00 36.61 O ATOM 364 OD2 ASP A 102 6.744 6.286 2.374 1.00 35.60 O ATOM 365 H ASP A 102 5.966 3.622 4.592 1.00 0.00 H ATOM 366 N ASP A 103 3.044 2.476 3.676 1.00 31.25 N ATOM 367 CA ASP A 103 1.935 1.537 3.462 1.00 31.68 C ATOM 368 C ASP A 103 1.100 1.411 4.719 1.00 33.37 C ATOM 369 O ASP A 103 -0.126 1.415 4.668 1.00 32.23 O ATOM 370 CB ASP A 103 2.401 0.138 3.046 1.00 34.14 C ATOM 371 CG ASP A 103 2.965 0.102 1.638 1.00 38.76 C ATOM 372 OD1 ASP A 103 2.637 1.031 0.881 1.00 37.25 O ATOM 373 OD2 ASP A 103 3.766 -0.804 1.326 1.00 36.70 O ATOM 374 H ASP A 103 4.020 2.144 3.539 1.00 0.00 H ATOM 375 N PHE A 104 1.800 1.248 5.852 1.00 31.30 N ATOM 376 CA PHE A 104 1.153 1.086 7.134 1.00 32.94 C ATOM 377 C PHE A 104 0.292 2.328 7.425 1.00 30.07 C ATOM 378 O PHE A 104 -0.885 2.220 7.816 1.00 34.86 O ATOM 379 CB PHE A 104 2.200 0.840 8.236 1.00 31.88 C ATOM 380 CG PHE A 104 1.585 0.499 9.574 1.00 32.33 C ATOM 381 CD1 PHE A 104 1.146 -0.782 9.831 1.00 33.44 C ATOM 382 CD2 PHE A 104 1.434 1.449 10.557 1.00 38.30 C ATOM 383 CE1 PHE A 104 0.580 -1.113 11.054 1.00 36.79 C ATOM 384 CE2 PHE A 104 0.852 1.128 11.777 1.00 39.89 C ATOM 385 CZ PHE A 104 0.451 -0.163 12.033 1.00 34.14 C ATOM 386 H PHE A 104 2.839 1.238 5.806 1.00 0.00 H ATOM 387 N SER A 105 0.853 3.507 7.196 1.00 35.33 N ATOM 388 CA SER A 105 0.166 4.743 7.584 1.00 40.93 C ATOM 389 C SER A 105 -1.122 4.953 6.755 1.00 39.21 C ATOM 390 O SER A 105 -2.079 5.504 7.274 1.00 40.72 O ATOM 391 CB SER A 105 1.074 5.948 7.517 1.00 43.68 C ATOM 392 OG SER A 105 0.998 6.565 6.248 1.00 53.88 O ATOM 393 HG SER A 105 1.274 5.918 5.551 1.00 0.00 H ATOM 394 H SER A 105 1.786 3.556 6.739 1.00 0.00 H ATOM 395 N LEU A 106 -1.125 4.525 5.490 1.00 43.59 N ATOM 396 CA LEU A 106 -2.332 4.521 4.599 1.00 38.89 C ATOM 397 C LEU A 106 -3.371 3.516 5.086 1.00 42.93 C ATOM 398 O LEU A 106 -4.546 3.875 5.259 1.00 38.99 O ATOM 399 CB LEU A 106 -1.936 4.139 3.169 1.00 43.73 C ATOM 400 CG LEU A 106 -1.578 5.274 2.213 1.00 55.82 C ATOM 401 CD1 LEU A 106 -0.219 5.884 2.540 1.00 65.00 C ATOM 402 CD2 LEU A 106 -1.589 4.774 0.770 1.00 55.31 C ATOM 403 H LEU A 106 -0.230 4.171 5.096 1.00 0.00 H ATOM 404 N ARG A 107 -2.954 2.245 5.230 1.00 37.54 N ATOM 405 CA ARG A 107 -3.884 1.153 5.599 1.00 37.31 C ATOM 406 C ARG A 107 -4.474 1.444 6.984 1.00 39.36 C ATOM 407 O ARG A 107 -5.662 1.133 7.193 1.00 36.01 O ATOM 408 CB ARG A 107 -3.227 -0.235 5.508 1.00 35.62 C ATOM 409 CG ARG A 107 -4.012 -1.372 6.173 1.00 43.48 C ATOM 410 CD ARG A 107 -5.482 -1.493 5.718 1.00 51.21 C ATOM 411 NE ARG A 107 -6.276 -2.553 6.363 1.00 50.29 N ATOM 412 CZ ARG A 107 -7.103 -2.412 7.405 1.00 51.14 C ATOM 413 NH1 ARG A 107 -7.463 -1.220 7.842 1.00 51.14 N ATOM 414 NH2 ARG A 107 -7.561 -3.482 8.030 1.00 56.30 N ATOM 415 HE ARG A 107 -6.184 -3.510 5.967 1.00 0.00 H ATOM 416 HH12 ARG A 107 -8.107 -1.137 8.654 1.00 0.00 H ATOM 417 HH11 ARG A 107 -7.102 -0.364 7.374 1.00 0.00 H ATOM 418 HH22 ARG A 107 -8.204 -3.375 8.840 1.00 0.00 H ATOM 419 HH21 ARG A 107 -7.278 -4.431 7.712 1.00 0.00 H ATOM 420 H ARG A 107 -1.949 2.023 5.078 1.00 0.00 H ATOM 421 N TYR A 108 -3.698 2.048 7.924 1.00 31.24 N ATOM 422 CA TYR A 108 -4.217 2.277 9.273 1.00 32.37 C ATOM 423 C TYR A 108 -4.392 3.787 9.529 1.00 33.53 C ATOM 424 O TYR A 108 -4.139 4.278 10.626 1.00 28.69 O ATOM 425 CB TYR A 108 -3.346 1.542 10.301 1.00 33.79 C ATOM 426 CG TYR A 108 -3.409 0.046 10.111 1.00 32.58 C ATOM 427 CD1 TYR A 108 -4.463 -0.670 10.645 1.00 35.16 C ATOM 428 CD2 TYR A 108 -2.489 -0.636 9.330 1.00 35.74 C ATOM 429 CE1 TYR A 108 -4.583 -2.036 10.452 1.00 36.17 C ATOM 430 CE2 TYR A 108 -2.588 -2.010 9.144 1.00 34.92 C ATOM 431 CZ TYR A 108 -3.642 -2.710 9.698 1.00 36.89 C ATOM 432 OH TYR A 108 -3.807 -4.068 9.562 1.00 41.00 O ATOM 433 HH TYR A 108 -4.627 -4.349 10.040 1.00 0.00 H ATOM 434 H TYR A 108 -2.732 2.348 7.683 1.00 0.00 H ATOM 435 N ARG A 109 -4.936 4.489 8.529 1.00 43.79 N ATOM 436 CA ARG A 109 -5.022 5.959 8.557 1.00 46.32 C ATOM 437 C ARG A 109 -5.882 6.425 9.744 1.00 41.93 C ATOM 438 O ARG A 109 -5.537 7.432 10.353 1.00 41.60 O ATOM 439 CB ARG A 109 -5.479 6.526 7.200 1.00 52.43 C ATOM 440 CG ARG A 109 -6.814 6.015 6.677 1.00 63.69 C ATOM 441 CD ARG A 109 -7.080 6.497 5.254 1.00 72.95 C ATOM 442 NE ARG A 109 -7.292 7.945 5.214 1.00 86.49 N ATOM 443 CZ ARG A 109 -7.411 8.688 4.110 1.00 93.82 C ATOM 444 NH1 ARG A 109 -7.695 9.977 4.217 1.00 87.93 N ATOM 445 NH2 ARG A 109 -7.242 8.152 2.911 1.00 93.32 N ATOM 446 HE ARG A 109 -7.356 8.440 6.127 1.00 0.00 H ATOM 447 HH12 ARG A 109 -7.789 10.561 3.362 1.00 0.00 H ATOM 448 HH11 ARG A 109 -7.824 10.405 5.156 1.00 0.00 H ATOM 449 HH22 ARG A 109 -7.337 8.742 2.060 1.00 0.00 H ATOM 450 HH21 ARG A 109 -7.014 7.141 2.821 1.00 0.00 H ATOM 451 H ARG A 109 -5.311 3.980 7.704 1.00 0.00 H ATOM 452 N ARG A 110 -6.953 5.701 10.093 1.00 39.82 N ATOM 453 CA ARG A 110 -7.815 6.091 11.234 1.00 41.65 C ATOM 454 C ARG A 110 -6.998 6.060 12.525 1.00 42.21 C ATOM 455 O ARG A 110 -7.039 6.980 13.305 1.00 37.46 O ATOM 456 CB ARG A 110 -9.036 5.184 11.419 1.00 39.92 C ATOM 457 H ARG A 110 -7.186 4.845 9.551 1.00 0.00 H ATOM 458 N ASP A 111 -6.235 4.982 12.730 1.00 38.09 N ATOM 459 CA ASP A 111 -5.417 4.843 13.897 1.00 35.46 C ATOM 460 C ASP A 111 -4.365 5.967 13.918 1.00 33.95 C ATOM 461 O ASP A 111 -4.076 6.487 14.985 1.00 37.47 O ATOM 462 CB ASP A 111 -4.696 3.481 13.957 1.00 38.36 C ATOM 463 CG ASP A 111 -5.570 2.274 14.232 1.00 44.99 C ATOM 464 OD1 ASP A 111 -6.680 2.459 14.756 1.00 43.31 O ATOM 465 OD2 ASP A 111 -5.116 1.145 13.935 1.00 40.43 O ATOM 466 H ASP A 111 -6.235 4.221 12.021 1.00 0.00 H ATOM 467 N PHE A 112 -3.762 6.285 12.776 1.00 31.65 N ATOM 468 CA PHE A 112 -2.764 7.415 12.662 1.00 37.63 C ATOM 469 C PHE A 112 -3.411 8.740 13.098 1.00 44.88 C ATOM 470 O PHE A 112 -2.841 9.515 13.849 1.00 38.31 O ATOM 471 CB PHE A 112 -2.310 7.523 11.208 1.00 42.83 C ATOM 472 CG PHE A 112 -0.926 8.036 10.901 1.00 55.45 C ATOM 473 CD1 PHE A 112 0.169 7.191 10.985 1.00 58.75 C ATOM 474 CD2 PHE A 112 -0.726 9.317 10.388 1.00 61.57 C ATOM 475 CE1 PHE A 112 1.437 7.633 10.636 1.00 63.59 C ATOM 476 CE2 PHE A 112 0.546 9.767 10.055 1.00 66.07 C ATOM 477 CZ PHE A 112 1.625 8.917 10.166 1.00 64.68 C ATOM 478 H PHE A 112 -3.987 5.732 11.924 1.00 0.00 H ATOM 479 N ALA A 113 -4.628 8.968 12.601 1.00 41.29 N ATOM 480 CA ALA A 113 -5.381 10.186 12.845 1.00 46.73 C ATOM 481 C ALA A 113 -5.867 10.217 14.296 1.00 46.81 C ATOM 482 O ALA A 113 -5.741 11.250 14.940 1.00 43.68 O ATOM 483 CB ALA A 113 -6.532 10.309 11.866 1.00 48.52 C ATOM 484 H ALA A 113 -5.061 8.233 12.006 1.00 0.00 H ATOM 485 N GLU A 114 -6.402 9.099 14.804 1.00 46.99 N ATOM 486 CA GLU A 114 -6.795 8.985 16.212 1.00 45.00 C ATOM 487 C GLU A 114 -5.602 9.283 17.117 1.00 44.31 C ATOM 488 O GLU A 114 -5.704 10.001 18.089 1.00 43.97 O ATOM 489 CB GLU A 114 -7.295 7.591 16.563 1.00 50.50 C ATOM 490 CG GLU A 114 -8.711 7.322 16.105 1.00 62.45 C ATOM 491 CD GLU A 114 -9.565 6.706 17.196 1.00 69.81 C ATOM 492 OE1 GLU A 114 -10.234 5.691 16.919 1.00 79.17 O ATOM 493 OE2 GLU A 114 -9.544 7.245 18.324 1.00 77.38 O ATOM 494 H GLU A 114 -6.544 8.282 14.177 1.00 0.00 H ATOM 495 N MET A 115 -4.456 8.696 16.798 1.00 39.60 N ATOM 496 CA MET A 115 -3.299 8.912 17.590 1.00 42.36 C ATOM 497 C MET A 115 -3.002 10.405 17.664 1.00 40.91 C ATOM 498 O MET A 115 -2.703 10.922 18.734 1.00 45.06 O ATOM 499 CB MET A 115 -2.087 8.209 16.985 1.00 44.88 C ATOM 500 CG MET A 115 -0.816 8.459 17.754 1.00 56.63 C ATOM 501 SD MET A 115 0.559 7.631 16.938 1.00 65.59 S ATOM 502 CE MET A 115 1.674 9.025 16.828 1.00 68.62 C ATOM 503 H MET A 115 -4.406 8.076 15.965 1.00 0.00 H ATOM 504 N SER A 116 -3.057 11.083 16.517 1.00 44.35 N ATOM 505 CA SER A 116 -2.762 12.516 16.473 1.00 49.34 C ATOM 506 C SER A 116 -3.791 13.298 17.292 1.00 42.94 C ATOM 507 O SER A 116 -3.424 14.141 18.063 1.00 46.56 O ATOM 508 CB SER A 116 -2.688 13.009 15.062 1.00 44.96 C ATOM 509 OG SER A 116 -1.336 13.020 14.623 1.00 58.08 O ATOM 510 HG SER A 116 -1.296 13.347 13.689 1.00 0.00 H ATOM 511 H SER A 116 -3.313 10.586 15.640 1.00 0.00 H ATOM 512 N SER A 117 -5.075 12.955 17.139 1.00 41.33 N ATOM 513 CA SER A 117 -6.161 13.610 17.841 1.00 40.84 C ATOM 514 C SER A 117 -6.075 13.426 19.364 1.00 47.72 C ATOM 515 O SER A 117 -6.702 14.217 20.085 1.00 47.19 O ATOM 516 CB SER A 117 -7.501 13.119 17.344 1.00 39.92 C ATOM 517 OG SER A 117 -7.626 13.281 15.943 1.00 42.21 O ATOM 518 HG SER A 117 -6.914 12.765 15.488 1.00 0.00 H ATOM 519 H SER A 117 -5.305 12.180 16.484 1.00 0.00 H ATOM 520 N GLN A 118 -5.369 12.377 19.846 1.00 45.60 N ATOM 521 CA GLN A 118 -5.375 11.987 21.266 1.00 43.23 C ATOM 522 C GLN A 118 -3.974 12.035 21.898 1.00 39.95 C ATOM 523 O GLN A 118 -3.869 11.881 23.093 1.00 39.66 O ATOM 524 CB GLN A 118 -5.921 10.566 21.439 1.00 48.50 C ATOM 525 CG GLN A 118 -7.306 10.367 20.849 1.00 58.15 C ATOM 526 CD GLN A 118 -8.326 11.181 21.597 1.00 67.31 C ATOM 527 OE1 GLN A 118 -8.592 10.932 22.770 1.00 72.46 O ATOM 528 NE2 GLN A 118 -8.893 12.174 20.925 1.00 70.26 N ATOM 529 HE22 GLN A 118 -8.634 12.345 19.932 1.00 0.00 H ATOM 530 HE21 GLN A 118 -9.597 12.782 21.391 1.00 0.00 H ATOM 531 H GLN A 118 -4.795 11.820 19.182 1.00 0.00 H ATOM 532 N LEU A 119 -2.903 12.175 21.108 1.00 40.87 N ATOM 533 CA LEU A 119 -1.556 12.300 21.690 1.00 35.57 C ATOM 534 C LEU A 119 -1.439 13.638 22.445 1.00 44.00 C ATOM 535 O LEU A 119 -1.645 14.729 21.858 1.00 41.84 O ATOM 536 CB LEU A 119 -0.522 12.261 20.573 1.00 39.92 C ATOM 537 CG LEU A 119 0.918 12.483 21.019 1.00 40.99 C ATOM 538 CD1 LEU A 119 1.413 11.341 21.893 1.00 44.66 C ATOM 539 CD2 LEU A 119 1.797 12.661 19.794 1.00 46.86 C ATOM 540 H LEU A 119 -3.023 12.196 20.075 1.00 0.00 H ATOM 541 N HIS A 120 -1.109 13.566 23.735 1.00 38.09 N ATOM 542 CA HIS A 120 -0.821 14.736 24.535 1.00 36.74 C ATOM 543 C HIS A 120 0.640 14.621 24.958 1.00 36.90 C ATOM 544 O HIS A 120 0.981 13.759 25.727 1.00 40.54 O ATOM 545 CB HIS A 120 -1.836 14.858 25.678 1.00 38.54 C ATOM 546 CG HIS A 120 -3.239 14.883 25.156 1.00 38.69 C ATOM 547 ND1 HIS A 120 -3.640 15.850 24.254 1.00 40.24 N ATOM 548 CD2 HIS A 120 -4.305 14.064 25.343 1.00 41.07 C ATOM 549 CE1 HIS A 120 -4.914 15.637 23.916 1.00 44.38 C ATOM 550 NE2 HIS A 120 -5.355 14.538 24.563 1.00 39.48 N ATOM 551 H HIS A 120 -1.057 12.630 24.185 1.00 0.00 H ATOM 552 N LEU A 121 1.473 15.466 24.362 1.00 37.20 N ATOM 553 CA LEU A 121 2.890 15.325 24.378 1.00 39.30 C ATOM 554 C LEU A 121 3.503 16.526 25.095 1.00 38.27 C ATOM 555 O LEU A 121 3.293 17.660 24.686 1.00 39.59 O ATOM 556 CB LEU A 121 3.349 15.236 22.921 1.00 40.47 C ATOM 557 CG LEU A 121 4.858 15.155 22.719 1.00 44.21 C ATOM 558 CD1 LEU A 121 5.400 13.792 23.136 1.00 44.61 C ATOM 559 CD2 LEU A 121 5.213 15.448 21.271 1.00 44.55 C ATOM 560 H LEU A 121 1.067 16.278 23.854 1.00 0.00 H ATOM 561 N THR A 122 4.289 16.259 26.148 1.00 36.12 N ATOM 562 CA THR A 122 5.206 17.216 26.746 1.00 34.44 C ATOM 563 C THR A 122 6.520 16.494 26.996 1.00 41.54 C ATOM 564 O THR A 122 6.531 15.258 27.035 1.00 33.84 O ATOM 565 CB THR A 122 4.737 17.800 28.091 1.00 41.40 C ATOM 566 OG1 THR A 122 4.895 16.809 29.113 1.00 41.56 O ATOM 567 CG2 THR A 122 3.310 18.303 28.082 1.00 42.18 C ATOM 568 HG1 THR A 122 4.351 16.014 28.887 1.00 0.00 H ATOM 569 H THR A 122 4.240 15.307 26.563 1.00 0.00 H ATOM 570 N PRO A 123 7.649 17.210 27.219 1.00 38.85 N ATOM 571 CA PRO A 123 8.915 16.527 27.477 1.00 39.58 C ATOM 572 C PRO A 123 8.863 15.638 28.727 1.00 38.81 C ATOM 573 O PRO A 123 9.636 14.683 28.842 1.00 39.11 O ATOM 574 CB PRO A 123 9.919 17.674 27.676 1.00 39.52 C ATOM 575 CG PRO A 123 9.321 18.817 26.876 1.00 41.17 C ATOM 576 CD PRO A 123 7.818 18.676 27.111 1.00 42.56 C ATOM 577 N GLY A 124 8.001 16.029 29.676 1.00 36.55 N ATOM 578 CA GLY A 124 7.878 15.386 30.951 1.00 39.15 C ATOM 579 C GLY A 124 7.052 14.120 30.871 1.00 33.25 C ATOM 580 O GLY A 124 7.112 13.323 31.761 1.00 35.50 O ATOM 581 H GLY A 124 7.387 16.844 29.476 1.00 0.00 H ATOM 582 N THR A 125 6.270 13.943 29.805 1.00 31.06 N ATOM 583 CA THR A 125 5.390 12.772 29.661 1.00 35.40 C ATOM 584 C THR A 125 5.775 11.944 28.434 1.00 29.97 C ATOM 585 O THR A 125 5.210 10.917 28.179 1.00 29.55 O ATOM 586 CB THR A 125 3.918 13.194 29.574 1.00 34.17 C ATOM 587 OG1 THR A 125 3.653 13.859 28.328 1.00 37.05 O ATOM 588 CG2 THR A 125 3.538 14.036 30.774 1.00 38.56 C ATOM 589 HG1 THR A 125 3.855 13.245 27.578 1.00 0.00 H ATOM 590 H THR A 125 6.283 14.657 29.049 1.00 0.00 H ATOM 591 N ALA A 126 6.755 12.431 27.682 1.00 28.74 N ATOM 592 CA ALA A 126 7.108 11.880 26.406 1.00 27.25 C ATOM 593 C ALA A 126 7.588 10.432 26.560 1.00 26.60 C ATOM 594 O ALA A 126 7.221 9.584 25.775 1.00 25.54 O ATOM 595 CB ALA A 126 8.171 12.729 25.773 1.00 29.65 C ATOM 596 H ALA A 126 7.291 13.249 28.035 1.00 0.00 H ATOM 597 N TYR A 127 8.417 10.165 27.572 1.00 25.34 N ATOM 598 CA TYR A 127 8.937 8.810 27.733 1.00 27.01 C ATOM 599 C TYR A 127 7.787 7.871 28.095 1.00 24.25 C ATOM 600 O TYR A 127 7.674 6.825 27.489 1.00 22.72 O ATOM 601 CB TYR A 127 10.081 8.720 28.745 1.00 26.19 C ATOM 602 CG TYR A 127 10.583 7.304 28.849 1.00 26.72 C ATOM 603 CD1 TYR A 127 11.189 6.717 27.747 1.00 24.98 C ATOM 604 CD2 TYR A 127 10.398 6.532 29.981 1.00 24.53 C ATOM 605 CE1 TYR A 127 11.615 5.403 27.768 1.00 25.27 C ATOM 606 CE2 TYR A 127 10.778 5.200 30.007 1.00 25.31 C ATOM 607 CZ TYR A 127 11.425 4.651 28.906 1.00 27.70 C ATOM 608 OH TYR A 127 11.792 3.356 28.843 1.00 25.29 O ATOM 609 HH TYR A 127 12.235 3.182 27.975 1.00 0.00 H ATOM 610 H TYR A 127 8.690 10.915 28.239 1.00 0.00 H ATOM 611 N ALA A 128 6.969 8.246 29.091 1.00 25.50 N ATOM 612 CA ALA A 128 5.790 7.430 29.456 1.00 27.26 C ATOM 613 C ALA A 128 4.952 7.101 28.214 1.00 25.57 C ATOM 614 O ALA A 128 4.573 5.946 28.035 1.00 27.20 O ATOM 615 CB ALA A 128 4.967 8.117 30.529 1.00 27.71 C ATOM 616 H ALA A 128 7.167 9.123 29.614 1.00 0.00 H ATOM 617 N SER A 129 4.682 8.087 27.359 1.00 27.64 N ATOM 618 CA SER A 129 3.855 7.892 26.157 1.00 30.23 C ATOM 619 C SER A 129 4.545 6.913 25.218 1.00 29.47 C ATOM 620 O SER A 129 3.934 5.924 24.810 1.00 30.21 O ATOM 621 CB SER A 129 3.585 9.193 25.425 1.00 35.40 C ATOM 622 OG SER A 129 2.821 10.092 26.200 1.00 34.90 O ATOM 623 HG SER A 129 2.670 10.924 25.685 1.00 0.00 H ATOM 624 H SER A 129 5.071 9.033 27.549 1.00 0.00 H ATOM 625 N PHE A 130 5.848 7.138 24.970 1.00 27.36 N ATOM 626 CA PHE A 130 6.615 6.258 24.101 1.00 25.23 C ATOM 627 C PHE A 130 6.574 4.822 24.615 1.00 24.32 C ATOM 628 O PHE A 130 6.185 3.887 23.871 1.00 27.41 O ATOM 629 CB PHE A 130 8.063 6.742 23.948 1.00 26.17 C ATOM 630 CG PHE A 130 8.896 5.806 23.114 1.00 26.16 C ATOM 631 CD1 PHE A 130 8.898 5.914 21.734 1.00 26.89 C ATOM 632 CD2 PHE A 130 9.634 4.791 23.709 1.00 25.68 C ATOM 633 CE1 PHE A 130 9.671 5.059 20.974 1.00 24.77 C ATOM 634 CE2 PHE A 130 10.364 3.905 22.934 1.00 25.97 C ATOM 635 CZ PHE A 130 10.378 4.041 21.574 1.00 23.43 C ATOM 636 H PHE A 130 6.316 7.957 25.408 1.00 0.00 H ATOM 637 N ALA A 131 6.958 4.625 25.881 1.00 22.13 N ATOM 638 CA ALA A 131 7.077 3.306 26.506 1.00 23.63 C ATOM 639 C ALA A 131 5.723 2.577 26.636 1.00 24.99 C ATOM 640 O ALA A 131 5.667 1.369 26.492 1.00 24.85 O ATOM 641 CB ALA A 131 7.696 3.423 27.849 1.00 24.72 C ATOM 642 H ALA A 131 7.186 5.460 26.457 1.00 0.00 H ATOM 643 N THR A 132 4.661 3.315 26.917 1.00 27.06 N ATOM 644 CA THR A 132 3.302 2.704 27.031 1.00 29.27 C ATOM 645 C THR A 132 2.834 2.131 25.693 1.00 26.84 C ATOM 646 O THR A 132 2.431 0.970 25.627 1.00 27.73 O ATOM 647 CB THR A 132 2.275 3.713 27.532 1.00 32.90 C ATOM 648 OG1 THR A 132 2.620 4.057 28.872 1.00 31.07 O ATOM 649 CG2 THR A 132 0.865 3.160 27.525 1.00 34.97 C ATOM 650 HG1 THR A 132 1.966 4.713 29.222 1.00 0.00 H ATOM 651 H THR A 132 4.774 4.339 27.061 1.00 0.00 H ATOM 652 N VAL A 133 2.997 2.889 24.603 1.00 26.68 N ATOM 653 CA VAL A 133 2.533 2.422 23.285 1.00 27.33 C ATOM 654 C VAL A 133 3.359 1.225 22.841 1.00 26.70 C ATOM 655 O VAL A 133 2.818 0.235 22.352 1.00 26.68 O ATOM 656 CB VAL A 133 2.512 3.568 22.249 1.00 30.03 C ATOM 657 CG1 VAL A 133 2.310 3.081 20.804 1.00 27.51 C ATOM 658 CG2 VAL A 133 1.422 4.580 22.625 1.00 30.68 C ATOM 659 H VAL A 133 3.456 3.818 24.687 1.00 0.00 H ATOM 660 N VAL A 134 4.689 1.313 23.006 1.00 24.83 N ATOM 661 CA VAL A 134 5.560 0.266 22.579 1.00 24.58 C ATOM 662 C VAL A 134 5.267 -1.028 23.356 1.00 26.40 C ATOM 663 O VAL A 134 5.260 -2.122 22.780 1.00 24.32 O ATOM 664 CB VAL A 134 7.044 0.685 22.670 1.00 26.78 C ATOM 665 CG1 VAL A 134 7.986 -0.514 22.385 1.00 27.62 C ATOM 666 CG2 VAL A 134 7.287 1.843 21.727 1.00 26.11 C ATOM 667 H VAL A 134 5.092 2.161 23.454 1.00 0.00 H ATOM 668 N GLU A 135 5.038 -0.917 24.667 1.00 29.82 N ATOM 669 CA GLU A 135 4.708 -2.075 25.486 1.00 31.24 C ATOM 670 C GLU A 135 3.419 -2.770 24.996 1.00 29.56 C ATOM 671 O GLU A 135 3.415 -3.993 24.844 1.00 32.14 O ATOM 672 CB GLU A 135 4.573 -1.695 26.954 1.00 37.00 C ATOM 673 CG GLU A 135 4.521 -2.918 27.850 1.00 45.41 C ATOM 674 CD GLU A 135 3.158 -3.590 27.949 1.00 49.86 C ATOM 675 OE1 GLU A 135 2.130 -2.878 27.834 1.00 53.40 O ATOM 676 OE2 GLU A 135 3.122 -4.834 28.145 1.00 57.15 O ATOM 677 H GLU A 135 5.097 0.020 25.114 1.00 0.00 H ATOM 678 N GLU A 136 2.374 -2.005 24.681 1.00 31.56 N ATOM 679 CA GLU A 136 1.097 -2.565 24.104 1.00 34.47 C ATOM 680 C GLU A 136 1.322 -3.147 22.721 1.00 32.40 C ATOM 681 O GLU A 136 0.816 -4.202 22.422 1.00 29.52 O ATOM 682 CB GLU A 136 -0.004 -1.514 24.001 1.00 36.03 C ATOM 683 CG GLU A 136 -0.276 -0.886 25.345 1.00 44.21 C ATOM 684 CD GLU A 136 -0.989 0.451 25.370 1.00 53.12 C ATOM 685 OE1 GLU A 136 -1.068 1.139 24.311 1.00 58.64 O ATOM 686 OE2 GLU A 136 -1.454 0.802 26.483 1.00 68.74 O ATOM 687 H GLU A 136 2.441 -0.979 24.839 1.00 0.00 H ATOM 688 N LEU A 137 2.145 -2.483 21.888 1.00 31.12 N ATOM 689 CA LEU A 137 2.427 -2.982 20.577 1.00 31.14 C ATOM 690 C LEU A 137 3.000 -4.402 20.619 1.00 27.12 C ATOM 691 O LEU A 137 2.606 -5.219 19.823 1.00 26.83 O ATOM 692 CB LEU A 137 3.413 -2.040 19.872 1.00 30.50 C ATOM 693 CG LEU A 137 3.788 -2.402 18.454 1.00 28.41 C ATOM 694 CD1 LEU A 137 2.542 -2.621 17.581 1.00 30.59 C ATOM 695 CD2 LEU A 137 4.647 -1.294 17.847 1.00 26.13 C ATOM 696 H LEU A 137 2.583 -1.593 22.202 1.00 0.00 H ATOM 697 N PHE A 138 3.980 -4.671 21.491 1.00 24.87 N ATOM 698 CA PHE A 138 4.676 -5.928 21.416 1.00 27.64 C ATOM 699 C PHE A 138 4.212 -6.902 22.517 1.00 30.91 C ATOM 700 O PHE A 138 4.809 -7.948 22.702 1.00 31.82 O ATOM 701 CB PHE A 138 6.184 -5.693 21.472 1.00 25.79 C ATOM 702 CG PHE A 138 6.726 -5.006 20.238 1.00 23.32 C ATOM 703 CD1 PHE A 138 6.673 -5.634 19.008 1.00 24.88 C ATOM 704 CD2 PHE A 138 7.262 -3.745 20.314 1.00 24.25 C ATOM 705 CE1 PHE A 138 7.199 -5.016 17.880 1.00 23.40 C ATOM 706 CE2 PHE A 138 7.817 -3.133 19.201 1.00 22.18 C ATOM 707 CZ PHE A 138 7.736 -3.750 17.977 1.00 19.98 C ATOM 708 H PHE A 138 4.237 -3.974 22.219 1.00 0.00 H ATOM 709 N ARG A 139 3.114 -6.592 23.196 1.00 35.13 N ATOM 710 CA ARG A 139 2.634 -7.411 24.332 1.00 42.01 C ATOM 711 C ARG A 139 2.331 -8.862 23.903 1.00 40.01 C ATOM 712 O ARG A 139 2.599 -9.772 24.634 1.00 44.68 O ATOM 713 CB ARG A 139 1.394 -6.751 24.945 1.00 44.04 C ATOM 714 CG ARG A 139 0.934 -7.392 26.249 1.00 52.68 C ATOM 715 CD ARG A 139 -0.353 -6.800 26.795 1.00 49.19 C ATOM 716 NE ARG A 139 -0.084 -5.582 27.548 1.00 54.94 N ATOM 717 CZ ARG A 139 -0.881 -4.515 27.595 1.00 62.46 C ATOM 718 NH1 ARG A 139 -2.066 -4.539 27.007 1.00 59.54 N ATOM 719 NH2 ARG A 139 -0.470 -3.418 28.214 1.00 62.24 N ATOM 720 HE ARG A 139 0.801 -5.542 28.093 1.00 0.00 H ATOM 721 HH12 ARG A 139 -2.683 -3.703 27.047 1.00 0.00 H ATOM 722 HH11 ARG A 139 -2.380 -5.394 26.505 1.00 0.00 H ATOM 723 HH22 ARG A 139 -1.087 -2.582 28.254 1.00 0.00 H ATOM 724 HH21 ARG A 139 0.469 -3.393 28.659 1.00 0.00 H ATOM 725 H ARG A 139 2.574 -5.747 22.921 1.00 0.00 H ATOM 726 N ASP A 140 1.787 -9.076 22.717 1.00 43.61 N ATOM 727 CA ASP A 140 1.425 -10.414 22.304 1.00 47.71 C ATOM 728 C ASP A 140 2.514 -11.020 21.404 1.00 46.84 C ATOM 729 O ASP A 140 2.292 -12.071 20.814 1.00 44.72 O ATOM 730 CB ASP A 140 0.056 -10.417 21.633 1.00 54.34 C ATOM 731 CG ASP A 140 -1.118 -10.185 22.570 1.00 60.69 C ATOM 732 OD1 ASP A 140 -0.903 -10.013 23.788 1.00 50.93 O ATOM 733 OD2 ASP A 140 -2.259 -10.188 22.063 1.00 73.11 O ATOM 734 H ASP A 140 1.618 -8.275 22.075 1.00 0.00 H ATOM 735 N GLY A 141 3.706 -10.401 21.354 1.00 41.13 N ATOM 736 CA GLY A 141 4.851 -10.931 20.611 1.00 38.66 C ATOM 737 C GLY A 141 5.255 -9.995 19.496 1.00 37.88 C ATOM 738 O GLY A 141 4.601 -9.022 19.246 1.00 32.66 O ATOM 739 H GLY A 141 3.820 -9.504 21.867 1.00 0.00 H ATOM 740 N VAL A 142 6.328 -10.355 18.802 1.00 35.08 N ATOM 741 CA VAL A 142 6.886 -9.565 17.740 1.00 33.41 C ATOM 742 C VAL A 142 6.541 -10.181 16.384 1.00 29.36 C ATOM 743 O VAL A 142 6.472 -11.400 16.255 1.00 30.39 O ATOM 744 CB VAL A 142 8.411 -9.435 17.897 1.00 29.93 C ATOM 745 CG1 VAL A 142 8.955 -8.490 16.847 1.00 29.53 C ATOM 746 CG2 VAL A 142 8.842 -8.999 19.295 1.00 34.03 C ATOM 747 H VAL A 142 6.789 -11.256 19.040 1.00 0.00 H ATOM 748 N ASN A 143 6.366 -9.313 15.365 1.00 27.30 N ATOM 749 CA ASN A 143 6.310 -9.709 14.007 1.00 28.54 C ATOM 750 C ASN A 143 6.736 -8.507 13.153 1.00 25.53 C ATOM 751 O ASN A 143 6.878 -7.395 13.653 1.00 23.15 O ATOM 752 CB ASN A 143 4.949 -10.302 13.647 1.00 30.25 C ATOM 753 CG ASN A 143 3.884 -9.301 13.244 1.00 32.30 C ATOM 754 OD1 ASN A 143 3.991 -8.100 13.525 1.00 26.23 O ATOM 755 ND2 ASN A 143 2.864 -9.780 12.518 1.00 37.01 N ATOM 756 HD22 ASN A 143 2.811 -10.796 12.304 1.00 0.00 H ATOM 757 HD21 ASN A 143 2.126 -9.135 12.169 1.00 0.00 H ATOM 758 H ASN A 143 6.267 -8.302 15.589 1.00 0.00 H ATOM 759 N TRP A 144 7.019 -8.750 11.886 1.00 24.22 N ATOM 760 CA TRP A 144 7.563 -7.672 11.066 1.00 23.93 C ATOM 761 C TRP A 144 6.631 -6.459 10.987 1.00 24.25 C ATOM 762 O TRP A 144 7.081 -5.350 10.992 1.00 26.09 O ATOM 763 CB TRP A 144 7.923 -8.131 9.658 1.00 23.13 C ATOM 764 CG TRP A 144 9.145 -8.970 9.605 1.00 26.38 C ATOM 765 CD1 TRP A 144 9.250 -10.291 9.293 1.00 26.08 C ATOM 766 CD2 TRP A 144 10.453 -8.505 9.921 1.00 24.41 C ATOM 767 NE1 TRP A 144 10.572 -10.667 9.344 1.00 27.29 N ATOM 768 CE2 TRP A 144 11.320 -9.608 9.771 1.00 26.09 C ATOM 769 CE3 TRP A 144 10.954 -7.269 10.348 1.00 25.33 C ATOM 770 CZ2 TRP A 144 12.701 -9.495 9.977 1.00 26.50 C ATOM 771 CZ3 TRP A 144 12.315 -7.161 10.558 1.00 26.77 C ATOM 772 CH2 TRP A 144 13.159 -8.276 10.389 1.00 24.97 C ATOM 773 HE1 TRP A 144 10.942 -11.607 9.097 1.00 0.00 H ATOM 774 H TRP A 144 6.857 -9.693 11.479 1.00 0.00 H ATOM 775 N GLY A 145 5.327 -6.665 10.849 1.00 26.29 N ATOM 776 CA GLY A 145 4.436 -5.519 10.755 1.00 24.35 C ATOM 777 C GLY A 145 4.388 -4.663 12.015 1.00 22.52 C ATOM 778 O GLY A 145 4.249 -3.467 11.952 1.00 22.66 O ATOM 779 H GLY A 145 4.948 -7.632 10.809 1.00 0.00 H ATOM 780 N ARG A 146 4.494 -5.272 13.192 1.00 21.08 N ATOM 781 CA ARG A 146 4.576 -4.515 14.410 1.00 21.31 C ATOM 782 C ARG A 146 5.921 -3.770 14.451 1.00 20.42 C ATOM 783 O ARG A 146 5.982 -2.697 15.052 1.00 22.91 O ATOM 784 CB ARG A 146 4.360 -5.379 15.644 1.00 23.66 C ATOM 785 CG ARG A 146 2.961 -5.981 15.769 1.00 27.11 C ATOM 786 CD ARG A 146 2.908 -6.998 16.881 1.00 30.75 C ATOM 787 NE ARG A 146 1.545 -7.426 17.176 1.00 40.93 N ATOM 788 CZ ARG A 146 1.026 -8.574 16.772 1.00 49.62 C ATOM 789 NH1 ARG A 146 1.710 -9.300 15.909 1.00 47.17 N ATOM 790 NH2 ARG A 146 -0.128 -9.011 17.270 1.00 47.90 N ATOM 791 HE ARG A 146 0.944 -6.790 17.738 1.00 0.00 H ATOM 792 HH12 ARG A 146 1.327 -10.207 15.574 1.00 0.00 H ATOM 793 HH11 ARG A 146 2.632 -8.966 15.564 1.00 0.00 H ATOM 794 HH22 ARG A 146 -0.526 -9.915 16.944 1.00 0.00 H ATOM 795 HH21 ARG A 146 -0.632 -8.448 17.985 1.00 0.00 H ATOM 796 H ARG A 146 4.518 -6.311 13.231 1.00 0.00 H ATOM 797 N ILE A 147 7.000 -4.352 13.922 1.00 22.15 N ATOM 798 CA ILE A 147 8.279 -3.569 13.855 1.00 21.24 C ATOM 799 C ILE A 147 8.087 -2.326 12.989 1.00 25.27 C ATOM 800 O ILE A 147 8.495 -1.207 13.387 1.00 23.81 O ATOM 801 CB ILE A 147 9.465 -4.423 13.423 1.00 21.23 C ATOM 802 CG1 ILE A 147 9.733 -5.479 14.498 1.00 20.71 C ATOM 803 CG2 ILE A 147 10.690 -3.556 13.186 1.00 23.72 C ATOM 804 CD1 ILE A 147 10.783 -6.417 14.117 1.00 21.37 C ATOM 805 H ILE A 147 6.955 -5.327 13.564 1.00 0.00 H ATOM 806 N VAL A 148 7.336 -2.469 11.885 1.00 25.69 N ATOM 807 CA VAL A 148 7.051 -1.307 11.027 1.00 23.03 C ATOM 808 C VAL A 148 6.216 -0.309 11.798 1.00 21.16 C ATOM 809 O VAL A 148 6.480 0.910 11.733 1.00 22.21 O ATOM 810 CB VAL A 148 6.371 -1.703 9.696 1.00 22.61 C ATOM 811 CG1 VAL A 148 5.987 -0.460 8.871 1.00 24.03 C ATOM 812 CG2 VAL A 148 7.262 -2.662 8.928 1.00 25.62 C ATOM 813 H VAL A 148 6.954 -3.404 11.635 1.00 0.00 H ATOM 814 N ALA A 149 5.205 -0.786 12.535 1.00 20.02 N ATOM 815 CA ALA A 149 4.368 0.079 13.323 1.00 22.22 C ATOM 816 C ALA A 149 5.209 0.850 14.356 1.00 24.05 C ATOM 817 O ALA A 149 4.955 2.038 14.664 1.00 25.20 O ATOM 818 CB ALA A 149 3.288 -0.699 14.006 1.00 23.63 C ATOM 819 H ALA A 149 5.020 -1.809 12.538 1.00 0.00 H ATOM 820 N PHE A 150 6.201 0.156 14.909 1.00 24.42 N ATOM 821 CA PHE A 150 7.077 0.777 15.889 1.00 24.43 C ATOM 822 C PHE A 150 7.826 1.987 15.278 1.00 23.14 C ATOM 823 O PHE A 150 7.869 3.099 15.824 1.00 23.12 O ATOM 824 CB PHE A 150 8.018 -0.302 16.415 1.00 23.57 C ATOM 825 CG PHE A 150 9.262 0.191 17.116 1.00 20.75 C ATOM 826 CD1 PHE A 150 9.232 0.559 18.463 1.00 19.80 C ATOM 827 CD2 PHE A 150 10.454 0.263 16.430 1.00 21.77 C ATOM 828 CE1 PHE A 150 10.388 0.987 19.105 1.00 23.89 C ATOM 829 CE2 PHE A 150 11.633 0.593 17.103 1.00 20.87 C ATOM 830 CZ PHE A 150 11.599 0.935 18.443 1.00 22.41 C ATOM 831 H PHE A 150 6.350 -0.837 14.638 1.00 0.00 H ATOM 832 N PHE A 151 8.429 1.764 14.137 1.00 22.53 N ATOM 833 CA PHE A 151 9.147 2.855 13.436 1.00 26.86 C ATOM 834 C PHE A 151 8.219 4.015 13.084 1.00 27.51 C ATOM 835 O PHE A 151 8.564 5.166 13.304 1.00 25.19 O ATOM 836 CB PHE A 151 9.844 2.307 12.206 1.00 25.09 C ATOM 837 CG PHE A 151 11.165 1.675 12.512 1.00 22.18 C ATOM 838 CD1 PHE A 151 12.306 2.456 12.578 1.00 23.00 C ATOM 839 CD2 PHE A 151 11.268 0.308 12.751 1.00 23.36 C ATOM 840 CE1 PHE A 151 13.524 1.855 12.789 1.00 23.00 C ATOM 841 CE2 PHE A 151 12.496 -0.275 13.011 1.00 25.87 C ATOM 842 CZ PHE A 151 13.628 0.494 12.997 1.00 25.30 C ATOM 843 H PHE A 151 8.404 0.812 13.719 1.00 0.00 H ATOM 844 N GLU A 152 7.030 3.709 12.558 1.00 23.93 N ATOM 845 CA GLU A 152 6.059 4.733 12.206 1.00 26.47 C ATOM 846 C GLU A 152 5.627 5.549 13.421 1.00 29.55 C ATOM 847 O GLU A 152 5.522 6.784 13.320 1.00 24.00 O ATOM 848 CB GLU A 152 4.800 4.131 11.592 1.00 31.19 C ATOM 849 CG GLU A 152 4.866 4.070 10.101 1.00 32.49 C ATOM 850 CD GLU A 152 5.086 5.387 9.372 1.00 27.73 C ATOM 851 OE1 GLU A 152 4.196 6.169 9.317 1.00 33.55 O ATOM 852 OE2 GLU A 152 6.160 5.586 8.883 1.00 33.58 O ATOM 853 H GLU A 152 6.792 2.710 12.395 1.00 0.00 H ATOM 854 N PHE A 153 5.377 4.867 14.553 1.00 25.68 N ATOM 855 CA PHE A 153 4.942 5.498 15.749 1.00 25.26 C ATOM 856 C PHE A 153 6.010 6.486 16.239 1.00 24.44 C ATOM 857 O PHE A 153 5.681 7.602 16.647 1.00 24.73 O ATOM 858 CB PHE A 153 4.617 4.451 16.826 1.00 26.93 C ATOM 859 CG PHE A 153 4.465 5.047 18.189 1.00 27.71 C ATOM 860 CD1 PHE A 153 3.427 5.928 18.449 1.00 27.47 C ATOM 861 CD2 PHE A 153 5.364 4.755 19.205 1.00 28.51 C ATOM 862 CE1 PHE A 153 3.313 6.532 19.691 1.00 31.63 C ATOM 863 CE2 PHE A 153 5.221 5.337 20.451 1.00 28.58 C ATOM 864 CZ PHE A 153 4.223 6.255 20.682 1.00 29.09 C ATOM 865 H PHE A 153 5.508 3.835 14.553 1.00 0.00 H ATOM 866 N GLY A 154 7.263 6.032 16.277 1.00 21.31 N ATOM 867 CA GLY A 154 8.375 6.930 16.699 1.00 22.82 C ATOM 868 C GLY A 154 8.519 8.114 15.762 1.00 22.92 C ATOM 869 O GLY A 154 8.704 9.256 16.173 1.00 26.60 O ATOM 870 H GLY A 154 7.465 5.047 16.011 1.00 0.00 H ATOM 871 N GLY A 155 8.392 7.854 14.458 1.00 25.69 N ATOM 872 CA GLY A 155 8.446 8.925 13.459 1.00 28.99 C ATOM 873 C GLY A 155 7.378 9.965 13.674 1.00 30.02 C ATOM 874 O GLY A 155 7.673 11.196 13.745 1.00 31.69 O ATOM 875 H GLY A 155 8.252 6.872 14.145 1.00 0.00 H ATOM 876 N VAL A 156 6.148 9.511 13.901 1.00 30.46 N ATOM 877 CA VAL A 156 5.077 10.410 14.280 1.00 32.84 C ATOM 878 C VAL A 156 5.344 11.187 15.570 1.00 33.88 C ATOM 879 O VAL A 156 4.993 12.335 15.672 1.00 30.09 O ATOM 880 CB VAL A 156 3.726 9.694 14.431 1.00 41.83 C ATOM 881 CG1 VAL A 156 2.675 10.634 15.006 1.00 43.42 C ATOM 882 CG2 VAL A 156 3.268 9.123 13.114 1.00 40.66 C ATOM 883 H VAL A 156 5.952 8.494 13.805 1.00 0.00 H ATOM 884 N MET A 157 5.815 10.533 16.624 1.00 28.42 N ATOM 885 CA MET A 157 6.137 11.245 17.806 1.00 29.73 C ATOM 886 C MET A 157 7.150 12.372 17.500 1.00 26.52 C ATOM 887 O MET A 157 7.111 13.434 18.106 1.00 25.56 O ATOM 888 CB MET A 157 6.729 10.231 18.800 1.00 31.19 C ATOM 889 CG MET A 157 6.612 10.598 20.163 1.00 38.24 C ATOM 890 SD MET A 157 6.521 9.193 21.290 1.00 38.06 S ATOM 891 CE MET A 157 6.549 10.274 22.718 1.00 38.92 C ATOM 892 H MET A 157 5.947 9.502 16.583 1.00 0.00 H ATOM 893 N CYS A 158 8.134 12.098 16.646 1.00 27.67 N ATOM 894 CA CYS A 158 9.168 13.091 16.307 1.00 28.56 C ATOM 895 C CYS A 158 8.545 14.259 15.525 1.00 32.84 C ATOM 896 O CYS A 158 8.811 15.438 15.837 1.00 30.08 O ATOM 897 CB CYS A 158 10.261 12.458 15.474 1.00 26.25 C ATOM 898 SG CYS A 158 11.302 11.342 16.419 1.00 24.90 S ATOM 899 H CYS A 158 8.174 11.157 16.206 1.00 0.00 H ATOM 900 N VAL A 159 7.701 13.920 14.536 1.00 34.70 N ATOM 901 CA VAL A 159 6.937 14.895 13.770 1.00 33.89 C ATOM 902 C VAL A 159 6.107 15.764 14.716 1.00 37.35 C ATOM 903 O VAL A 159 6.113 17.035 14.604 1.00 30.35 O ATOM 904 CB VAL A 159 6.071 14.245 12.673 1.00 37.77 C ATOM 905 CG1 VAL A 159 4.996 15.215 12.160 1.00 36.68 C ATOM 906 CG2 VAL A 159 6.945 13.727 11.544 1.00 36.05 C ATOM 907 H VAL A 159 7.588 12.912 14.306 1.00 0.00 H ATOM 908 N GLU A 160 5.372 15.130 15.628 1.00 34.39 N ATOM 909 CA GLU A 160 4.499 15.896 16.532 1.00 38.15 C ATOM 910 C GLU A 160 5.347 16.738 17.497 1.00 36.55 C ATOM 911 O GLU A 160 4.941 17.842 17.869 1.00 39.02 O ATOM 912 CB GLU A 160 3.533 14.971 17.265 1.00 39.51 C ATOM 913 CG GLU A 160 2.324 14.627 16.433 1.00 45.54 C ATOM 914 CD GLU A 160 1.414 15.817 16.179 1.00 56.03 C ATOM 915 OE1 GLU A 160 0.230 15.755 16.574 1.00 73.68 O ATOM 916 OE2 GLU A 160 1.891 16.814 15.619 1.00 57.79 O ATOM 917 H GLU A 160 5.415 14.093 15.701 1.00 0.00 H ATOM 918 N SER A 161 6.550 16.266 17.850 1.00 32.16 N ATOM 919 CA SER A 161 7.455 17.025 18.710 1.00 29.67 C ATOM 920 C SER A 161 7.886 18.328 18.016 1.00 34.73 C ATOM 921 O SER A 161 7.881 19.398 18.632 1.00 33.49 O ATOM 922 CB SER A 161 8.667 16.227 19.128 1.00 29.47 C ATOM 923 OG SER A 161 8.285 15.170 19.993 1.00 31.55 O ATOM 924 HG SER A 161 7.651 14.573 19.523 1.00 0.00 H ATOM 925 H SER A 161 6.848 15.332 17.502 1.00 0.00 H ATOM 926 N VAL A 162 8.282 18.240 16.752 1.00 31.97 N ATOM 927 CA VAL A 162 8.729 19.427 16.013 1.00 35.32 C ATOM 928 C VAL A 162 7.551 20.393 15.816 1.00 35.23 C ATOM 929 O VAL A 162 7.735 21.594 16.000 1.00 37.16 O ATOM 930 CB VAL A 162 9.370 19.034 14.674 1.00 36.29 C ATOM 931 CG1 VAL A 162 9.544 20.227 13.743 1.00 41.82 C ATOM 932 CG2 VAL A 162 10.675 18.308 14.924 1.00 39.21 C ATOM 933 H VAL A 162 8.275 17.315 16.277 1.00 0.00 H ATOM 934 N ASN A 163 6.358 19.867 15.507 1.00 34.68 N ATOM 935 CA ASN A 163 5.122 20.669 15.326 1.00 38.04 C ATOM 936 C ASN A 163 4.767 21.503 16.551 1.00 38.56 C ATOM 937 O ASN A 163 4.188 22.583 16.406 1.00 41.21 O ATOM 938 CB ASN A 163 3.859 19.836 15.115 1.00 41.82 C ATOM 939 CG ASN A 163 3.824 19.157 13.768 1.00 49.85 C ATOM 940 OD1 ASN A 163 4.652 19.452 12.884 1.00 49.17 O ATOM 941 ND2 ASN A 163 2.867 18.253 13.618 1.00 40.50 N ATOM 942 HD22 ASN A 163 2.210 18.057 14.400 1.00 0.00 H ATOM 943 HD21 ASN A 163 2.773 17.739 12.719 1.00 0.00 H ATOM 944 H ASN A 163 6.294 18.836 15.387 1.00 0.00 H ATOM 945 N ARG A 164 5.024 20.970 17.749 1.00 34.86 N ATOM 946 CA ARG A 164 4.642 21.575 19.006 1.00 35.15 C ATOM 947 C ARG A 164 5.813 22.341 19.632 1.00 37.34 C ATOM 948 O ARG A 164 5.741 22.680 20.795 1.00 34.78 O ATOM 949 CB ARG A 164 4.137 20.490 19.965 1.00 35.51 C ATOM 950 CG ARG A 164 2.870 19.821 19.470 1.00 37.01 C ATOM 951 CD ARG A 164 2.247 18.702 20.321 1.00 39.20 C ATOM 952 NE ARG A 164 1.258 18.045 19.454 1.00 38.33 N ATOM 953 CZ ARG A 164 0.388 17.124 19.824 1.00 36.81 C ATOM 954 NH1 ARG A 164 0.176 16.932 21.106 1.00 35.63 N ATOM 955 NH2 ARG A 164 -0.225 16.373 18.912 1.00 43.72 N ATOM 956 HE ARG A 164 1.242 18.333 18.455 1.00 0.00 H ATOM 957 HH12 ARG A 164 -0.506 16.211 21.418 1.00 0.00 H ATOM 958 HH11 ARG A 164 0.690 17.501 21.809 1.00 0.00 H ATOM 959 HH22 ARG A 164 -0.910 15.649 19.210 1.00 0.00 H ATOM 960 HH21 ARG A 164 -0.019 16.510 17.902 1.00 0.00 H ATOM 961 H ARG A 164 5.531 20.062 17.780 1.00 0.00 H ATOM 962 N GLU A 165 6.890 22.545 18.865 1.00 33.97 N ATOM 963 CA GLU A 165 8.103 23.298 19.286 1.00 39.90 C ATOM 964 C GLU A 165 8.746 22.620 20.492 1.00 41.43 C ATOM 965 O GLU A 165 9.164 23.263 21.459 1.00 38.86 O ATOM 966 CB GLU A 165 7.776 24.772 19.571 1.00 39.68 C ATOM 967 CG GLU A 165 7.261 25.460 18.341 1.00 39.24 C ATOM 968 CD GLU A 165 6.887 26.939 18.461 1.00 37.43 C ATOM 969 OE1 GLU A 165 6.191 27.382 17.552 1.00 44.18 O ATOM 970 OE2 GLU A 165 7.278 27.616 19.449 1.00 37.22 O ATOM 971 H GLU A 165 6.879 22.148 17.904 1.00 0.00 H ATOM 972 N MET A 166 8.850 21.288 20.412 1.00 34.46 N ATOM 973 CA MET A 166 9.533 20.547 21.387 1.00 33.37 C ATOM 974 C MET A 166 10.593 19.713 20.689 1.00 38.55 C ATOM 975 O MET A 166 10.644 18.497 20.933 1.00 35.29 O ATOM 976 CB MET A 166 8.578 19.607 22.128 1.00 37.91 C ATOM 977 CG MET A 166 7.497 20.315 22.896 1.00 40.20 C ATOM 978 SD MET A 166 6.266 19.101 23.397 1.00 41.01 S ATOM 979 CE MET A 166 5.045 20.288 23.976 1.00 51.02 C ATOM 980 H MET A 166 8.414 20.791 19.609 1.00 0.00 H ATOM 981 N SER A 167 11.425 20.363 19.850 1.00 35.05 N ATOM 982 CA SER A 167 12.299 19.644 18.933 1.00 37.39 C ATOM 983 C SER A 167 13.374 18.894 19.703 1.00 36.72 C ATOM 984 O SER A 167 13.957 17.949 19.152 1.00 36.51 O ATOM 985 CB SER A 167 12.893 20.568 17.907 1.00 43.29 C ATOM 986 OG SER A 167 13.604 21.592 18.561 1.00 45.80 O ATOM 987 HG SER A 167 12.987 22.098 19.147 1.00 0.00 H ATOM 988 H SER A 167 11.443 21.403 19.858 1.00 0.00 H ATOM 989 N VAL A 168 13.629 19.315 20.954 1.00 38.19 N ATOM 990 CA VAL A 168 14.553 18.671 21.893 1.00 38.76 C ATOM 991 C VAL A 168 14.228 17.182 22.013 1.00 39.42 C ATOM 992 O VAL A 168 15.118 16.361 22.287 1.00 37.15 O ATOM 993 CB VAL A 168 14.527 19.295 23.311 1.00 49.58 C ATOM 994 CG1 VAL A 168 13.131 19.331 23.940 1.00 50.14 C ATOM 995 CG2 VAL A 168 15.459 18.549 24.254 1.00 52.27 C ATOM 996 H VAL A 168 13.130 20.167 21.282 1.00 0.00 H ATOM 997 N LEU A 169 12.941 16.840 21.857 1.00 33.23 N ATOM 998 CA LEU A 169 12.511 15.491 22.061 1.00 33.77 C ATOM 999 C LEU A 169 12.980 14.561 20.959 1.00 26.17 C ATOM 1000 O LEU A 169 13.002 13.399 21.206 1.00 30.61 O ATOM 1001 CB LEU A 169 10.986 15.408 22.144 1.00 32.65 C ATOM 1002 CG LEU A 169 10.391 15.879 23.459 1.00 38.39 C ATOM 1003 CD1 LEU A 169 8.880 15.846 23.399 1.00 39.38 C ATOM 1004 CD2 LEU A 169 10.914 15.058 24.631 1.00 43.58 C ATOM 1005 H LEU A 169 12.247 17.565 21.584 1.00 0.00 H ATOM 1006 N VAL A 170 13.252 15.050 19.744 1.00 28.80 N ATOM 1007 CA VAL A 170 13.569 14.171 18.620 1.00 29.83 C ATOM 1008 C VAL A 170 14.760 13.284 18.957 1.00 29.11 C ATOM 1009 O VAL A 170 14.727 12.090 18.707 1.00 24.66 O ATOM 1010 CB VAL A 170 13.837 14.971 17.330 1.00 30.13 C ATOM 1011 CG1 VAL A 170 14.419 14.091 16.234 1.00 28.88 C ATOM 1012 CG2 VAL A 170 12.586 15.723 16.872 1.00 27.89 C ATOM 1013 H VAL A 170 13.238 16.079 19.596 1.00 0.00 H ATOM 1014 N ASP A 171 15.828 13.869 19.506 1.00 27.19 N ATOM 1015 CA ASP A 171 17.039 13.091 19.811 1.00 31.74 C ATOM 1016 C ASP A 171 16.722 12.077 20.903 1.00 28.03 C ATOM 1017 O ASP A 171 17.323 11.032 20.956 1.00 26.23 O ATOM 1018 CB ASP A 171 18.196 13.964 20.342 1.00 36.45 C ATOM 1019 CG ASP A 171 18.795 14.854 19.279 1.00 38.82 C ATOM 1020 OD1 ASP A 171 18.846 14.417 18.119 1.00 41.32 O ATOM 1021 OD2 ASP A 171 19.201 15.958 19.623 1.00 51.71 O ATOM 1022 H ASP A 171 15.803 14.886 19.720 1.00 0.00 H ATOM 1023 N ASN A 172 15.825 12.454 21.835 1.00 26.90 N ATOM 1024 CA ASN A 172 15.457 11.559 22.919 1.00 27.51 C ATOM 1025 C ASN A 172 14.701 10.333 22.361 1.00 26.73 C ATOM 1026 O ASN A 172 14.975 9.242 22.737 1.00 24.68 O ATOM 1027 CB ASN A 172 14.581 12.220 23.993 1.00 32.28 C ATOM 1028 CG ASN A 172 15.291 13.261 24.855 1.00 37.23 C ATOM 1029 OD1 ASN A 172 16.472 13.559 24.695 1.00 38.40 O ATOM 1030 ND2 ASN A 172 14.577 13.786 25.820 1.00 40.68 N ATOM 1031 HD22 ASN A 172 13.579 13.517 25.934 1.00 0.00 H ATOM 1032 HD21 ASN A 172 15.008 14.472 26.472 1.00 0.00 H ATOM 1033 H ASN A 172 15.391 13.397 21.778 1.00 0.00 H ATOM 1034 N ILE A 173 13.717 10.573 21.499 1.00 26.90 N ATOM 1035 CA ILE A 173 12.882 9.537 20.891 1.00 27.03 C ATOM 1036 C ILE A 173 13.777 8.624 20.067 1.00 27.30 C ATOM 1037 O ILE A 173 13.687 7.403 20.176 1.00 28.49 O ATOM 1038 CB ILE A 173 11.729 10.133 20.055 1.00 26.00 C ATOM 1039 CG1 ILE A 173 10.782 10.970 20.916 1.00 28.20 C ATOM 1040 CG2 ILE A 173 10.995 9.035 19.272 1.00 24.23 C ATOM 1041 CD1 ILE A 173 10.054 12.049 20.165 1.00 25.76 C ATOM 1042 H ILE A 173 13.529 11.563 21.240 1.00 0.00 H ATOM 1043 N ALA A 174 14.699 9.219 19.294 1.00 26.98 N ATOM 1044 CA ALA A 174 15.685 8.402 18.519 1.00 27.56 C ATOM 1045 C ALA A 174 16.448 7.456 19.446 1.00 27.92 C ATOM 1046 O ALA A 174 16.652 6.275 19.107 1.00 25.87 O ATOM 1047 CB ALA A 174 16.629 9.317 17.739 1.00 30.38 C ATOM 1048 H ALA A 174 14.729 10.257 19.233 1.00 0.00 H ATOM 1049 N ALA A 175 16.919 7.969 20.610 1.00 25.81 N ATOM 1050 CA ALA A 175 17.622 7.152 21.555 1.00 26.01 C ATOM 1051 C ALA A 175 16.735 6.047 22.117 1.00 25.98 C ATOM 1052 O ALA A 175 17.153 4.859 22.256 1.00 23.29 O ATOM 1053 CB ALA A 175 18.214 8.031 22.660 1.00 32.05 C ATOM 1054 H ALA A 175 16.767 8.976 20.821 1.00 0.00 H ATOM 1055 N TRP A 176 15.516 6.397 22.518 1.00 23.40 N ATOM 1056 CA TRP A 176 14.650 5.397 23.050 1.00 22.11 C ATOM 1057 C TRP A 176 14.376 4.299 22.015 1.00 22.58 C ATOM 1058 O TRP A 176 14.251 3.164 22.391 1.00 26.18 O ATOM 1059 CB TRP A 176 13.324 5.992 23.563 1.00 23.60 C ATOM 1060 CG TRP A 176 13.492 7.086 24.584 1.00 23.29 C ATOM 1061 CD1 TRP A 176 14.453 7.132 25.559 1.00 21.36 C ATOM 1062 CD2 TRP A 176 12.626 8.227 24.813 1.00 24.10 C ATOM 1063 NE1 TRP A 176 14.273 8.244 26.352 1.00 24.74 N ATOM 1064 CE2 TRP A 176 13.190 8.967 25.888 1.00 23.56 C ATOM 1065 CE3 TRP A 176 11.487 8.759 24.192 1.00 24.32 C ATOM 1066 CZ2 TRP A 176 12.606 10.136 26.385 1.00 26.60 C ATOM 1067 CZ3 TRP A 176 10.922 9.931 24.676 1.00 25.38 C ATOM 1068 CH2 TRP A 176 11.484 10.626 25.743 1.00 24.46 C ATOM 1069 HE1 TRP A 176 14.860 8.500 27.172 1.00 0.00 H ATOM 1070 H TRP A 176 15.199 7.385 22.445 1.00 0.00 H ATOM 1071 N MET A 177 14.209 4.669 20.744 1.00 23.91 N ATOM 1072 CA MET A 177 13.932 3.721 19.701 1.00 23.73 C ATOM 1073 C MET A 177 15.140 2.794 19.539 1.00 22.50 C ATOM 1074 O MET A 177 15.022 1.610 19.455 1.00 22.80 O ATOM 1075 CB MET A 177 13.604 4.420 18.380 1.00 24.51 C ATOM 1076 CG MET A 177 12.235 5.112 18.351 1.00 21.31 C ATOM 1077 SD MET A 177 11.916 6.022 16.839 1.00 22.56 S ATOM 1078 CE MET A 177 11.764 4.687 15.648 1.00 20.76 C ATOM 1079 H MET A 177 14.282 5.677 20.500 1.00 0.00 H ATOM 1080 N ALA A 178 16.338 3.393 19.453 1.00 24.47 N ATOM 1081 CA ALA A 178 17.553 2.608 19.232 1.00 25.54 C ATOM 1082 C ALA A 178 17.771 1.642 20.383 1.00 24.45 C ATOM 1083 O ALA A 178 18.106 0.464 20.191 1.00 27.30 O ATOM 1084 CB ALA A 178 18.718 3.570 19.042 1.00 28.34 C ATOM 1085 H ALA A 178 16.404 4.427 19.544 1.00 0.00 H ATOM 1086 N THR A 179 17.519 2.108 21.615 1.00 29.65 N ATOM 1087 CA THR A 179 17.627 1.273 22.792 1.00 28.20 C ATOM 1088 C THR A 179 16.602 0.141 22.752 1.00 29.65 C ATOM 1089 O THR A 179 16.921 -0.980 23.050 1.00 29.11 O ATOM 1090 CB THR A 179 17.498 2.093 24.094 1.00 34.78 C ATOM 1091 OG1 THR A 179 18.675 2.881 24.130 1.00 34.34 O ATOM 1092 CG2 THR A 179 17.389 1.266 25.350 1.00 37.69 C ATOM 1093 HG1 THR A 179 18.707 3.461 23.328 1.00 0.00 H ATOM 1094 H THR A 179 17.237 3.102 21.728 1.00 0.00 H ATOM 1095 N TYR A 180 15.356 0.428 22.362 1.00 26.10 N ATOM 1096 CA TYR A 180 14.359 -0.649 22.301 1.00 24.37 C ATOM 1097 C TYR A 180 14.749 -1.687 21.220 1.00 22.93 C ATOM 1098 O TYR A 180 14.656 -2.932 21.399 1.00 23.57 O ATOM 1099 CB TYR A 180 12.943 -0.081 22.113 1.00 24.63 C ATOM 1100 CG TYR A 180 11.887 -1.138 22.327 1.00 25.54 C ATOM 1101 CD1 TYR A 180 11.423 -1.473 23.596 1.00 28.49 C ATOM 1102 CD2 TYR A 180 11.443 -1.928 21.282 1.00 26.44 C ATOM 1103 CE1 TYR A 180 10.504 -2.505 23.788 1.00 27.72 C ATOM 1104 CE2 TYR A 180 10.562 -2.983 21.470 1.00 25.64 C ATOM 1105 CZ TYR A 180 10.091 -3.288 22.730 1.00 27.85 C ATOM 1106 OH TYR A 180 9.196 -4.336 22.852 1.00 30.51 O ATOM 1107 HH TYR A 180 8.943 -4.443 23.803 1.00 0.00 H ATOM 1108 H TYR A 180 15.096 1.402 22.105 1.00 0.00 H ATOM 1109 N LEU A 181 15.213 -1.204 20.074 1.00 24.98 N ATOM 1110 CA LEU A 181 15.616 -2.095 19.020 1.00 27.92 C ATOM 1111 C LEU A 181 16.744 -3.017 19.508 1.00 31.53 C ATOM 1112 O LEU A 181 16.688 -4.256 19.301 1.00 30.56 O ATOM 1113 CB LEU A 181 16.093 -1.267 17.836 1.00 31.06 C ATOM 1114 CG LEU A 181 15.013 -0.906 16.845 1.00 39.11 C ATOM 1115 CD1 LEU A 181 15.445 0.332 16.087 1.00 42.79 C ATOM 1116 CD2 LEU A 181 14.719 -2.095 15.903 1.00 35.44 C ATOM 1117 H LEU A 181 15.285 -0.176 19.938 1.00 0.00 H ATOM 1118 N ASN A 182 17.781 -2.401 20.090 1.00 30.01 N ATOM 1119 CA ASN A 182 18.990 -3.137 20.546 1.00 34.93 C ATOM 1120 C ASN A 182 18.621 -4.144 21.623 1.00 36.24 C ATOM 1121 O ASN A 182 19.010 -5.297 21.511 1.00 33.81 O ATOM 1122 CB ASN A 182 20.087 -2.221 21.093 1.00 35.77 C ATOM 1123 CG ASN A 182 20.719 -1.343 20.036 1.00 40.59 C ATOM 1124 OD1 ASN A 182 20.843 -1.739 18.876 1.00 41.55 O ATOM 1125 ND2 ASN A 182 21.172 -0.163 20.439 1.00 50.68 N ATOM 1126 HD22 ASN A 182 21.046 0.132 21.428 1.00 0.00 H ATOM 1127 HD21 ASN A 182 21.653 0.467 19.766 1.00 0.00 H ATOM 1128 H ASN A 182 17.739 -1.371 20.228 1.00 0.00 H ATOM 1129 N ASP A 183 17.859 -3.707 22.637 1.00 31.69 N ATOM 1130 CA ASP A 183 17.611 -4.484 23.843 1.00 31.89 C ATOM 1131 C ASP A 183 16.441 -5.481 23.713 1.00 35.72 C ATOM 1132 O ASP A 183 16.423 -6.488 24.445 1.00 32.33 O ATOM 1133 CB ASP A 183 17.352 -3.562 25.047 1.00 33.86 C ATOM 1134 CG ASP A 183 18.533 -2.731 25.516 1.00 40.21 C ATOM 1135 OD1 ASP A 183 19.633 -2.896 24.973 1.00 41.39 O ATOM 1136 OD2 ASP A 183 18.327 -1.912 26.405 1.00 40.58 O ATOM 1137 H ASP A 183 17.424 -2.766 22.558 1.00 0.00 H ATOM 1138 N HIS A 184 15.418 -5.209 22.885 1.00 27.73 N ATOM 1139 CA HIS A 184 14.205 -6.056 22.877 1.00 29.84 C ATOM 1140 C HIS A 184 13.806 -6.593 21.484 1.00 31.71 C ATOM 1141 O HIS A 184 12.886 -7.425 21.426 1.00 38.86 O ATOM 1142 CB HIS A 184 13.019 -5.298 23.469 1.00 31.86 C ATOM 1143 CG HIS A 184 13.298 -4.862 24.867 1.00 38.46 C ATOM 1144 ND1 HIS A 184 13.385 -5.775 25.899 1.00 44.74 N ATOM 1145 CD2 HIS A 184 13.626 -3.663 25.389 1.00 40.42 C ATOM 1146 CE1 HIS A 184 13.721 -5.149 27.018 1.00 46.69 C ATOM 1147 NE2 HIS A 184 13.885 -3.858 26.738 1.00 41.91 N ATOM 1148 H HIS A 184 15.480 -4.394 22.242 1.00 0.00 H ATOM 1149 N LEU A 185 14.358 -6.072 20.377 1.00 28.38 N ATOM 1150 CA LEU A 185 13.953 -6.564 19.017 1.00 27.85 C ATOM 1151 C LEU A 185 15.078 -7.329 18.316 1.00 30.52 C ATOM 1152 O LEU A 185 14.787 -8.181 17.490 1.00 26.37 O ATOM 1153 CB LEU A 185 13.490 -5.372 18.186 1.00 26.55 C ATOM 1154 CG LEU A 185 12.159 -4.745 18.650 1.00 26.25 C ATOM 1155 CD1 LEU A 185 11.833 -3.492 17.843 1.00 26.83 C ATOM 1156 CD2 LEU A 185 11.030 -5.731 18.534 1.00 28.57 C ATOM 1157 H LEU A 185 15.072 -5.321 20.462 1.00 0.00 H ATOM 1158 N HIS A 186 16.336 -7.070 18.719 1.00 32.82 N ATOM 1159 CA HIS A 186 17.523 -7.610 18.032 1.00 35.71 C ATOM 1160 C HIS A 186 17.482 -9.134 18.053 1.00 31.45 C ATOM 1161 O HIS A 186 17.699 -9.748 17.013 1.00 33.39 O ATOM 1162 CB HIS A 186 18.831 -7.134 18.683 1.00 35.87 C ATOM 1163 CG HIS A 186 20.065 -7.623 17.988 1.00 41.27 C ATOM 1164 ND1 HIS A 186 20.567 -7.004 16.861 1.00 46.38 N ATOM 1165 CD2 HIS A 186 20.892 -8.662 18.248 1.00 40.94 C ATOM 1166 CE1 HIS A 186 21.671 -7.626 16.466 1.00 47.35 C ATOM 1167 NE2 HIS A 186 21.914 -8.624 17.321 1.00 40.92 N ATOM 1168 H HIS A 186 16.476 -6.462 19.551 1.00 0.00 H ATOM 1169 N THR A 187 17.181 -9.736 19.203 1.00 30.98 N ATOM 1170 CA THR A 187 17.139 -11.187 19.262 1.00 32.62 C ATOM 1171 C THR A 187 16.105 -11.780 18.274 1.00 31.27 C ATOM 1172 O THR A 187 16.428 -12.692 17.491 1.00 28.60 O ATOM 1173 CB THR A 187 16.955 -11.684 20.702 1.00 39.15 C ATOM 1174 OG1 THR A 187 18.113 -11.235 21.407 1.00 41.88 O ATOM 1175 CG2 THR A 187 16.841 -13.191 20.795 1.00 38.41 C ATOM 1176 HG1 THR A 187 18.160 -10.247 21.367 1.00 0.00 H ATOM 1177 H THR A 187 16.978 -9.171 20.052 1.00 0.00 H ATOM 1178 N TRP A 188 14.865 -11.279 18.302 1.00 29.02 N ATOM 1179 CA TRP A 188 13.805 -11.738 17.387 1.00 30.60 C ATOM 1180 C TRP A 188 14.242 -11.567 15.918 1.00 27.44 C ATOM 1181 O TRP A 188 14.098 -12.476 15.086 1.00 27.73 O ATOM 1182 CB TRP A 188 12.478 -11.002 17.689 1.00 28.73 C ATOM 1183 CG TRP A 188 11.335 -11.518 16.878 1.00 31.56 C ATOM 1184 CD1 TRP A 188 10.454 -12.496 17.243 1.00 30.59 C ATOM 1185 CD2 TRP A 188 10.999 -11.155 15.525 1.00 30.05 C ATOM 1186 NE1 TRP A 188 9.556 -12.722 16.243 1.00 29.11 N ATOM 1187 CE2 TRP A 188 9.869 -11.925 15.172 1.00 32.06 C ATOM 1188 CE3 TRP A 188 11.491 -10.219 14.612 1.00 26.78 C ATOM 1189 CZ2 TRP A 188 9.227 -11.785 13.936 1.00 34.97 C ATOM 1190 CZ3 TRP A 188 10.875 -10.099 13.385 1.00 29.99 C ATOM 1191 CH2 TRP A 188 9.763 -10.886 13.048 1.00 31.78 C ATOM 1192 HE1 TRP A 188 8.761 -13.391 16.285 1.00 0.00 H ATOM 1193 H TRP A 188 14.641 -10.537 18.996 1.00 0.00 H ATOM 1194 N ILE A 189 14.775 -10.392 15.581 1.00 28.24 N ATOM 1195 CA ILE A 189 15.181 -10.105 14.204 1.00 28.94 C ATOM 1196 C ILE A 189 16.218 -11.144 13.739 1.00 34.75 C ATOM 1197 O ILE A 189 16.112 -11.668 12.650 1.00 33.85 O ATOM 1198 CB ILE A 189 15.696 -8.655 14.086 1.00 30.20 C ATOM 1199 CG1 ILE A 189 14.554 -7.634 14.271 1.00 26.83 C ATOM 1200 CG2 ILE A 189 16.449 -8.458 12.779 1.00 31.62 C ATOM 1201 CD1 ILE A 189 15.021 -6.164 14.432 1.00 27.34 C ATOM 1202 H ILE A 189 14.905 -9.664 16.312 1.00 0.00 H ATOM 1203 N GLN A 190 17.232 -11.429 14.563 1.00 34.40 N ATOM 1204 CA GLN A 190 18.266 -12.383 14.203 1.00 36.27 C ATOM 1205 C GLN A 190 17.656 -13.772 14.031 1.00 35.73 C ATOM 1206 O GLN A 190 17.985 -14.451 13.076 1.00 40.51 O ATOM 1207 CB GLN A 190 19.386 -12.386 15.234 1.00 42.94 C ATOM 1208 CG GLN A 190 20.202 -11.106 15.183 1.00 50.40 C ATOM 1209 CD GLN A 190 21.020 -11.033 13.915 1.00 58.53 C ATOM 1210 OE1 GLN A 190 20.720 -10.266 12.995 1.00 65.29 O ATOM 1211 NE2 GLN A 190 22.045 -11.872 13.853 1.00 62.52 N ATOM 1212 HE22 GLN A 190 22.254 -12.497 14.657 1.00 0.00 H ATOM 1213 HE21 GLN A 190 22.639 -11.905 13.000 1.00 0.00 H ATOM 1214 H GLN A 190 17.281 -10.954 15.487 1.00 0.00 H ATOM 1215 N ASP A 191 16.749 -14.152 14.932 1.00 31.42 N ATOM 1216 CA ASP A 191 16.153 -15.460 14.932 1.00 34.03 C ATOM 1217 C ASP A 191 15.176 -15.584 13.766 1.00 33.30 C ATOM 1218 O ASP A 191 14.769 -16.692 13.463 1.00 33.03 O ATOM 1219 CB ASP A 191 15.369 -15.776 16.207 1.00 35.17 C ATOM 1220 CG ASP A 191 16.214 -16.000 17.449 1.00 44.98 C ATOM 1221 OD1 ASP A 191 17.424 -16.272 17.284 1.00 46.34 O ATOM 1222 OD2 ASP A 191 15.667 -15.840 18.584 1.00 45.44 O ATOM 1223 H ASP A 191 16.461 -13.473 15.665 1.00 0.00 H ATOM 1224 N ASN A 192 14.762 -14.459 13.164 1.00 30.80 N ATOM 1225 CA ASN A 192 13.706 -14.515 12.095 1.00 29.81 C ATOM 1226 C ASN A 192 14.297 -14.143 10.726 1.00 30.84 C ATOM 1227 O ASN A 192 13.589 -13.807 9.811 1.00 29.97 O ATOM 1228 CB ASN A 192 12.439 -13.765 12.507 1.00 30.84 C ATOM 1229 CG ASN A 192 11.704 -14.519 13.583 1.00 37.25 C ATOM 1230 OD1 ASN A 192 10.771 -15.279 13.306 1.00 36.69 O ATOM 1231 ND2 ASN A 192 12.150 -14.350 14.814 1.00 29.32 N ATOM 1232 HD22 ASN A 192 12.939 -13.698 14.996 1.00 0.00 H ATOM 1233 HD21 ASN A 192 11.712 -14.869 15.602 1.00 0.00 H ATOM 1234 H ASN A 192 15.173 -13.544 13.438 1.00 0.00 H ATOM 1235 N GLY A 193 15.624 -14.250 10.575 1.00 28.87 N ATOM 1236 CA GLY A 193 16.237 -14.185 9.288 1.00 28.86 C ATOM 1237 C GLY A 193 16.859 -12.843 8.962 1.00 27.04 C ATOM 1238 O GLY A 193 17.216 -12.613 7.818 1.00 31.60 O ATOM 1239 H GLY A 193 16.221 -14.384 11.416 1.00 0.00 H ATOM 1240 N GLY A 194 16.887 -11.935 9.944 1.00 26.92 N ATOM 1241 CA GLY A 194 17.439 -10.621 9.829 1.00 29.01 C ATOM 1242 C GLY A 194 16.592 -9.715 8.954 1.00 27.61 C ATOM 1243 O GLY A 194 15.518 -10.082 8.493 1.00 26.21 O ATOM 1244 H GLY A 194 16.476 -12.205 10.860 1.00 0.00 H ATOM 1245 N TRP A 195 17.094 -8.510 8.741 1.00 28.03 N ATOM 1246 CA TRP A 195 16.444 -7.526 7.859 1.00 30.33 C ATOM 1247 C TRP A 195 16.374 -8.043 6.412 1.00 31.77 C ATOM 1248 O TRP A 195 15.515 -7.641 5.650 1.00 29.32 O ATOM 1249 CB TRP A 195 17.173 -6.195 7.964 1.00 30.86 C ATOM 1250 CG TRP A 195 16.840 -5.462 9.229 1.00 30.84 C ATOM 1251 CD1 TRP A 195 17.615 -5.334 10.359 1.00 32.33 C ATOM 1252 CD2 TRP A 195 15.619 -4.759 9.493 1.00 31.55 C ATOM 1253 NE1 TRP A 195 16.962 -4.570 11.285 1.00 30.84 N ATOM 1254 CE2 TRP A 195 15.723 -4.227 10.797 1.00 30.82 C ATOM 1255 CE3 TRP A 195 14.438 -4.552 8.770 1.00 28.52 C ATOM 1256 CZ2 TRP A 195 14.706 -3.464 11.363 1.00 31.18 C ATOM 1257 CZ3 TRP A 195 13.439 -3.790 9.341 1.00 29.70 C ATOM 1258 CH2 TRP A 195 13.570 -3.247 10.618 1.00 28.95 C ATOM 1259 HE1 TRP A 195 17.342 -4.292 12.212 1.00 0.00 H ATOM 1260 H TRP A 195 17.982 -8.247 9.215 1.00 0.00 H ATOM 1261 N ASP A 196 17.263 -8.963 6.041 1.00 28.97 N ATOM 1262 CA ASP A 196 17.152 -9.613 4.728 1.00 30.84 C ATOM 1263 C ASP A 196 15.791 -10.321 4.583 1.00 31.40 C ATOM 1264 O ASP A 196 15.197 -10.299 3.494 1.00 29.27 O ATOM 1265 CB ASP A 196 18.298 -10.575 4.475 1.00 29.00 C ATOM 1266 CG ASP A 196 19.636 -9.890 4.245 1.00 34.20 C ATOM 1267 OD1 ASP A 196 19.657 -8.685 3.890 1.00 35.15 O ATOM 1268 OD2 ASP A 196 20.644 -10.550 4.462 1.00 40.79 O ATOM 1269 H ASP A 196 18.039 -9.222 6.683 1.00 0.00 H ATOM 1270 N ALA A 197 15.271 -10.920 5.672 1.00 31.69 N ATOM 1271 CA ALA A 197 14.011 -11.668 5.570 1.00 27.22 C ATOM 1272 C ALA A 197 12.853 -10.676 5.520 1.00 25.92 C ATOM 1273 O ALA A 197 11.801 -10.986 4.959 1.00 24.35 O ATOM 1274 CB ALA A 197 13.827 -12.667 6.699 1.00 29.96 C ATOM 1275 H ALA A 197 15.762 -10.853 6.586 1.00 0.00 H ATOM 1276 N PHE A 198 13.016 -9.523 6.177 1.00 24.52 N ATOM 1277 CA PHE A 198 12.033 -8.426 6.064 1.00 24.53 C ATOM 1278 C PHE A 198 11.841 -8.007 4.593 1.00 25.95 C ATOM 1279 O PHE A 198 10.718 -7.808 4.115 1.00 22.88 O ATOM 1280 CB PHE A 198 12.461 -7.234 6.916 1.00 25.00 C ATOM 1281 CG PHE A 198 11.645 -5.989 6.716 1.00 23.62 C ATOM 1282 CD1 PHE A 198 10.352 -5.904 7.212 1.00 27.73 C ATOM 1283 CD2 PHE A 198 12.173 -4.908 6.036 1.00 25.83 C ATOM 1284 CE1 PHE A 198 9.623 -4.744 7.064 1.00 27.99 C ATOM 1285 CE2 PHE A 198 11.421 -3.770 5.844 1.00 23.55 C ATOM 1286 CZ PHE A 198 10.149 -3.692 6.357 1.00 26.22 C ATOM 1287 H PHE A 198 13.853 -9.396 6.781 1.00 0.00 H ATOM 1288 N VAL A 199 12.955 -7.780 3.895 1.00 23.15 N ATOM 1289 CA VAL A 199 12.948 -7.296 2.520 1.00 23.01 C ATOM 1290 C VAL A 199 12.320 -8.366 1.598 1.00 24.31 C ATOM 1291 O VAL A 199 11.494 -8.030 0.803 1.00 23.65 O ATOM 1292 CB VAL A 199 14.368 -6.892 2.072 1.00 23.38 C ATOM 1293 CG1 VAL A 199 14.402 -6.618 0.589 1.00 25.39 C ATOM 1294 CG2 VAL A 199 14.853 -5.647 2.813 1.00 25.92 C ATOM 1295 H VAL A 199 13.872 -7.957 4.353 1.00 0.00 H ATOM 1296 N GLU A 200 12.655 -9.643 1.808 1.00 23.13 N ATOM 1297 CA GLU A 200 12.084 -10.796 1.103 1.00 24.45 C ATOM 1298 C GLU A 200 10.559 -10.796 1.286 1.00 26.04 C ATOM 1299 O GLU A 200 9.820 -10.909 0.297 1.00 28.63 O ATOM 1300 CB GLU A 200 12.734 -12.088 1.582 1.00 25.07 C ATOM 1301 CG GLU A 200 12.043 -13.321 1.015 1.00 30.75 C ATOM 1302 CD GLU A 200 12.526 -14.642 1.570 1.00 32.15 C ATOM 1303 OE1 GLU A 200 13.343 -14.629 2.508 1.00 35.41 O ATOM 1304 OE2 GLU A 200 12.142 -15.657 0.993 1.00 32.49 O ATOM 1305 H GLU A 200 13.379 -9.835 2.530 1.00 0.00 H ATOM 1306 N LEU A 201 10.083 -10.607 2.519 1.00 27.50 N ATOM 1307 CA LEU A 201 8.644 -10.629 2.818 1.00 27.73 C ATOM 1308 C LEU A 201 7.922 -9.470 2.111 1.00 25.16 C ATOM 1309 O LEU A 201 6.846 -9.630 1.583 1.00 26.78 O ATOM 1310 CB LEU A 201 8.421 -10.493 4.328 1.00 30.33 C ATOM 1311 CG LEU A 201 6.967 -10.370 4.757 1.00 37.82 C ATOM 1312 CD1 LEU A 201 6.211 -11.632 4.385 1.00 41.60 C ATOM 1313 CD2 LEU A 201 6.872 -10.134 6.266 1.00 43.08 C ATOM 1314 H LEU A 201 10.754 -10.438 3.295 1.00 0.00 H ATOM 1315 N TYR A 202 8.495 -8.275 2.169 1.00 22.91 N ATOM 1316 CA TYR A 202 7.957 -7.129 1.523 1.00 24.06 C ATOM 1317 C TYR A 202 7.774 -7.409 0.016 1.00 23.15 C ATOM 1318 O TYR A 202 6.697 -7.100 -0.584 1.00 23.00 O ATOM 1319 CB TYR A 202 8.891 -5.922 1.666 1.00 25.49 C ATOM 1320 CG TYR A 202 8.255 -4.695 1.098 1.00 24.55 C ATOM 1321 CD1 TYR A 202 7.285 -4.029 1.809 1.00 26.85 C ATOM 1322 CD2 TYR A 202 8.570 -4.231 -0.168 1.00 25.96 C ATOM 1323 CE1 TYR A 202 6.644 -2.928 1.286 1.00 33.73 C ATOM 1324 CE2 TYR A 202 7.926 -3.121 -0.715 1.00 32.70 C ATOM 1325 CZ TYR A 202 6.958 -2.472 0.022 1.00 34.55 C ATOM 1326 OH TYR A 202 6.305 -1.360 -0.424 1.00 42.49 O ATOM 1327 HH TYR A 202 5.656 -1.062 0.262 1.00 0.00 H ATOM 1328 H TYR A 202 9.377 -8.172 2.711 1.00 0.00 H ATOM 1329 N GLY A 203 8.789 -7.997 -0.611 1.00 21.54 N ATOM 1330 CA GLY A 203 8.681 -8.317 -2.059 1.00 24.04 C ATOM 1331 C GLY A 203 7.552 -9.290 -2.388 1.00 23.98 C ATOM 1332 O GLY A 203 6.946 -9.216 -3.459 1.00 22.76 O ATOM 1333 H GLY A 203 9.657 -8.233 -0.089 1.00 0.00 H ATOM 1334 N ASN A 204 7.322 -10.282 -1.526 1.00 26.83 N ATOM 1335 CA ASN A 204 6.315 -11.290 -1.770 1.00 27.63 C ATOM 1336 C ASN A 204 4.903 -10.692 -1.622 1.00 30.32 C ATOM 1337 O ASN A 204 4.612 -9.828 -0.750 1.00 29.87 O ATOM 1338 CB ASN A 204 6.576 -12.532 -0.902 1.00 32.04 C ATOM 1339 CG ASN A 204 7.690 -13.374 -1.485 1.00 37.73 C ATOM 1340 OD1 ASN A 204 7.990 -13.306 -2.681 1.00 47.51 O ATOM 1341 ND2 ASN A 204 8.340 -14.143 -0.648 1.00 42.67 N ATOM 1342 HD22 ASN A 204 8.060 -14.176 0.353 1.00 0.00 H ATOM 1343 HD21 ASN A 204 9.136 -14.721 -0.984 1.00 0.00 H ATOM 1344 H ASN A 204 7.884 -10.332 -0.652 1.00 0.00 H ATOM 1345 N ASN A 205 4.002 -11.158 -2.493 1.00 30.31 N ATOM 1346 CA ASN A 205 2.587 -10.751 -2.461 1.00 37.04 C ATOM 1347 C ASN A 205 1.915 -11.485 -1.265 1.00 42.12 C ATOM 1348 O ASN A 205 2.476 -12.488 -0.663 1.00 42.22 O ATOM 1349 CB ASN A 205 1.978 -10.869 -3.879 1.00 37.31 C ATOM 1350 CG ASN A 205 2.722 -10.090 -4.957 1.00 36.44 C ATOM 1351 OD1 ASN A 205 3.758 -9.473 -4.702 1.00 44.13 O ATOM 1352 ND2 ASN A 205 2.218 -10.082 -6.183 1.00 33.14 N ATOM 1353 HD22 ASN A 205 1.343 -10.606 -6.389 1.00 0.00 H ATOM 1354 HD21 ASN A 205 2.697 -9.552 -6.939 1.00 0.00 H ATOM 1355 H ASN A 205 4.312 -11.833 -3.221 1.00 0.00 H ATOM 1356 N ALA A 206 0.746 -10.983 -0.824 1.00 37.65 N ATOM 1357 CA ALA A 206 0.100 -11.449 0.426 1.00 40.84 C ATOM 1358 C ALA A 206 0.033 -12.979 0.476 1.00 37.22 C ATOM 1359 O ALA A 206 0.291 -13.599 1.528 1.00 41.16 O ATOM 1360 CB ALA A 206 -1.292 -10.864 0.568 1.00 40.11 C ATOM 1361 H ALA A 206 0.279 -10.240 -1.382 1.00 0.00 H ATOM 1362 N ALA A 207 -0.375 -13.594 -0.642 1.00 36.72 N ATOM 1363 CA ALA A 207 -0.557 -15.060 -0.669 1.00 40.60 C ATOM 1364 C ALA A 207 0.792 -15.755 -0.431 1.00 37.89 C ATOM 1365 O ALA A 207 0.832 -16.788 0.271 1.00 43.25 O ATOM 1366 CB ALA A 207 -1.228 -15.512 -1.950 1.00 39.78 C ATOM 1367 H ALA A 207 -0.565 -13.035 -1.498 1.00 0.00 H ATOM 1368 N ALA A 208 1.867 -15.199 -1.021 1.00 39.27 N ATOM 1369 CA ALA A 208 3.239 -15.753 -0.943 1.00 39.84 C ATOM 1370 C ALA A 208 3.863 -15.548 0.450 1.00 37.04 C ATOM 1371 O ALA A 208 4.661 -16.372 0.915 1.00 39.23 O ATOM 1372 CB ALA A 208 4.081 -15.131 -2.033 1.00 44.52 C ATOM 1373 H ALA A 208 1.725 -14.325 -1.566 1.00 0.00 H ATOM 1374 N GLU A 209 3.505 -14.446 1.125 1.00 37.04 N ATOM 1375 CA GLU A 209 3.953 -14.148 2.489 1.00 37.27 C ATOM 1376 C GLU A 209 3.352 -15.180 3.460 1.00 42.10 C ATOM 1377 O GLU A 209 4.051 -15.695 4.355 1.00 40.38 O ATOM 1378 CB GLU A 209 3.507 -12.739 2.881 1.00 38.19 C ATOM 1379 CG GLU A 209 4.167 -11.628 2.069 1.00 37.30 C ATOM 1380 CD GLU A 209 3.645 -10.234 2.358 1.00 44.56 C ATOM 1381 OE1 GLU A 209 2.467 -10.132 2.830 1.00 41.52 O ATOM 1382 OE2 GLU A 209 4.401 -9.241 2.091 1.00 44.75 O ATOM 1383 H GLU A 209 2.875 -13.765 0.655 1.00 0.00 H ATOM 1384 N SER A 210 2.045 -15.464 3.327 1.00 39.02 N ATOM 1385 CA SER A 210 1.427 -16.517 4.194 1.00 44.55 C ATOM 1386 C SER A 210 2.116 -17.877 3.954 1.00 45.73 C ATOM 1387 O SER A 210 2.416 -18.591 4.911 1.00 46.80 O ATOM 1388 CB SER A 210 -0.071 -16.611 3.993 1.00 49.71 C ATOM 1389 OG SER A 210 -0.696 -15.341 4.161 1.00 49.66 O ATOM 1390 HG SER A 210 -0.328 -14.703 3.499 1.00 0.00 H ATOM 1391 H SER A 210 1.467 -14.956 2.627 1.00 0.00 H ATOM 1392 N ARG A 211 2.377 -18.230 2.680 1.00 49.87 N ATOM 1393 CA ARG A 211 3.026 -19.529 2.329 1.00 55.73 C ATOM 1394 C ARG A 211 4.416 -19.631 2.977 1.00 58.29 C ATOM 1395 O ARG A 211 4.744 -20.673 3.580 1.00 63.73 O ATOM 1396 CB ARG A 211 3.121 -19.722 0.808 1.00 54.75 C ATOM 1397 CG ARG A 211 1.915 -20.441 0.218 1.00 58.70 C ATOM 1398 CD ARG A 211 2.015 -20.776 -1.261 1.00 55.62 C ATOM 1399 NE ARG A 211 1.939 -19.607 -2.121 1.00 51.40 N ATOM 1400 CZ ARG A 211 0.831 -19.166 -2.719 1.00 57.71 C ATOM 1401 NH1 ARG A 211 -0.352 -19.673 -2.404 1.00 49.29 N ATOM 1402 NH2 ARG A 211 0.919 -18.220 -3.639 1.00 54.45 N ATOM 1403 HE ARG A 211 2.816 -19.073 -2.283 1.00 0.00 H ATOM 1404 HH12 ARG A 211 -1.210 -19.323 -2.876 1.00 0.00 H ATOM 1405 HH11 ARG A 211 -0.422 -20.421 -1.685 1.00 0.00 H ATOM 1406 HH22 ARG A 211 0.060 -17.871 -4.110 1.00 0.00 H ATOM 1407 HH21 ARG A 211 1.847 -17.825 -3.892 1.00 0.00 H ATOM 1408 H ARG A 211 2.118 -17.575 1.915 1.00 0.00 H ATOM 1409 N LYS A 212 5.223 -18.562 2.859 1.00 56.15 N ATOM 1410 CA LYS A 212 6.609 -18.535 3.424 1.00 58.81 C ATOM 1411 C LYS A 212 6.592 -18.760 4.952 1.00 61.67 C ATOM 1412 O LYS A 212 7.404 -19.537 5.477 1.00 55.71 O ATOM 1413 CB LYS A 212 7.313 -17.223 3.059 1.00 57.95 C ATOM 1414 H LYS A 212 4.871 -17.722 2.356 1.00 0.00 H ATOM 1415 N GLY A 213 5.692 -18.072 5.675 1.00 59.60 N ATOM 1416 CA GLY A 213 5.549 -18.243 7.136 1.00 59.25 C ATOM 1417 C GLY A 213 5.178 -19.677 7.507 1.00 59.27 C ATOM 1418 O GLY A 213 5.778 -20.291 8.412 1.00 51.00 O ATOM 1419 H GLY A 213 5.073 -17.393 5.188 1.00 0.00 H ATOM 1420 N GLN A 214 4.210 -20.229 6.763 1.00 60.18 N ATOM 1421 CA GLN A 214 3.660 -21.583 7.003 1.00 64.37 C ATOM 1422 C GLN A 214 4.704 -22.672 6.696 1.00 67.69 C ATOM 1423 O GLN A 214 5.729 -22.447 6.031 1.00 68.15 O ATOM 1424 CB GLN A 214 2.391 -21.775 6.167 1.00 63.36 C ATOM 1425 CG GLN A 214 1.114 -21.395 6.909 1.00 63.45 C ATOM 1426 CD GLN A 214 0.189 -20.515 6.097 1.00 65.02 C ATOM 1427 OE1 GLN A 214 -0.114 -20.817 4.932 1.00 47.78 O ATOM 1428 NE2 GLN A 214 -0.250 -19.408 6.708 1.00 52.16 N ATOM 1429 HE22 GLN A 214 0.037 -19.206 7.687 1.00 0.00 H ATOM 1430 HE21 GLN A 214 -0.878 -18.750 6.204 1.00 0.00 H ATOM 1431 H GLN A 214 3.823 -19.675 5.972 1.00 0.00 H TER 1432 GLN A 214 HETATM 1433 O HOH 1 4.157 -6.413 -3.517 1.00 89.15 O HETATM 1434 O HOH 2 0.916 17.992 22.925 1.00 45.19 O HETATM 1435 O HOH 3 3.133 12.344 26.079 1.00 45.14 O HETATM 1436 O HOH 4 6.387 12.434 8.111 1.00 52.97 O HETATM 1437 O HOH 5 21.249 -1.280 24.317 1.00 53.14 O HETATM 1438 O HOH 6 16.206 -1.288 27.345 1.00 35.24 O HETATM 1439 O HOH 7 0.469 -10.406 4.238 1.00 43.37 O HETATM 1440 O HOH 8 3.179 -12.174 11.955 1.00 60.44 O HETATM 1441 O HOH 9 -8.804 14.452 21.931 1.00 52.75 O HETATM 1442 O HOH 10 19.317 -7.855 14.867 1.00 65.45 O HETATM 1443 O HOH 11 7.877 0.149 26.280 1.00 42.36 O HETATM 1444 O HOH 12 10.345 -15.679 -0.934 1.00 49.21 O HETATM 1445 O HOH 13 -7.405 12.980 24.712 1.00 45.77 O HETATM 1446 O HOH 14 8.058 -4.628 25.193 1.00 33.17 O HETATM 1447 O HOH 15 11.070 -13.518 9.078 1.00 29.79 O HETATM 1448 O HOH 16 -0.950 -12.659 3.691 1.00 47.15 O HETATM 1449 O HOH 17 13.886 -9.788 20.690 1.00 30.71 O HETATM 1450 O HOH 18 -1.453 -18.061 0.814 1.00 35.20 O HETATM 1451 O HOH 19 11.185 -13.538 4.447 1.00 35.02 O HETATM 1452 O HOH 20 17.429 -14.507 5.936 1.00 36.32 O HETATM 1453 O HOH 21 10.576 0.856 -4.896 1.00 41.89 O HETATM 1454 O HOH 22 14.268 2.747 -5.537 1.00 46.71 O HETATM 1455 O HOH 23 16.408 -10.219 1.076 1.00 32.92 O HETATM 1456 O HOH 24 16.094 3.264 8.150 1.00 41.05 O HETATM 1457 O HOH 25 10.463 -11.424 -2.308 1.00 24.61 O HETATM 1458 O HOH 26 1.619 -15.886 -4.897 1.00 50.40 O HETATM 1459 O HOH 27 11.895 -1.623 -1.537 1.00 32.48 O HETATM 1460 O HOH 28 16.578 16.768 19.493 1.00 41.24 O HETATM 1461 O HOH 29 9.517 12.032 29.558 1.00 27.92 O HETATM 1462 O HOH 30 -1.590 -21.035 -0.356 1.00 50.48 O HETATM 1463 O HOH 31 15.722 -13.505 3.350 1.00 38.65 O HETATM 1464 O HOH 32 13.599 2.257 24.919 1.00 29.77 O HETATM 1465 O HOH 33 5.640 -5.564 25.315 1.00 38.44 O HETATM 1466 O HOH 34 1.165 12.917 13.443 1.00 44.71 O HETATM 1467 O HOH 35 7.991 5.660 6.200 1.00 30.84 O HETATM 1468 O HOH 36 9.860 -6.887 21.992 1.00 39.99 O HETATM 1469 O HOH 37 0.896 5.626 30.380 1.00 54.10 O HETATM 1470 O HOH 38 2.083 -8.030 20.043 1.00 41.45 O HETATM 1471 O HOH 39 19.738 -9.580 7.248 1.00 35.63 O HETATM 1472 O HOH 40 -6.529 16.715 21.428 1.00 33.63 O HETATM 1473 O HOH 41 17.131 -8.414 21.728 1.00 38.54 O HETATM 1474 O HOH 42 12.244 14.181 27.731 1.00 45.81 O HETATM 1475 O HOH 43 7.707 10.309 30.974 1.00 25.64 O HETATM 1476 O HOH 44 18.391 -7.295 1.670 1.00 34.16 O HETATM 1477 O HOH 45 15.406 -2.889 29.023 1.00 52.25 O HETATM 1478 O HOH 46 20.233 -13.471 11.489 1.00 50.98 O HETATM 1479 O HOH 47 21.245 0.525 12.233 1.00 39.48 O HETATM 1480 O HOH 48 11.405 23.458 19.101 1.00 48.38 O HETATM 1481 O HOH 49 -3.927 9.585 9.100 1.00 46.82 O HETATM 1482 O HOH 50 14.432 4.303 6.364 1.00 42.85 O HETATM 1483 O HOH 51 24.041 1.698 13.469 1.00 54.14 O HETATM 1484 O HOH 52 19.642 -8.045 10.235 1.00 38.99 O HETATM 1485 O HOH 53 12.938 21.995 22.103 1.00 47.04 O HETATM 1486 O HOH 54 2.067 9.223 28.972 1.00 50.93 O HETATM 1487 O HOH 55 7.496 -22.554 9.497 1.00 62.20 O HETATM 1488 O HOH 56 0.213 4.351 11.760 1.00 55.39 O HETATM 1489 O HOH 57 -6.871 2.303 11.382 1.00 41.80 O HETATM 1490 O HOH 58 1.424 2.198 31.006 1.00 44.93 O HETATM 1491 O HOH 59 21.706 -4.882 23.875 1.00 57.48 O HETATM 1492 O HOH 60 22.396 3.395 2.845 1.00 54.77 O HETATM 1493 O HOH 61 10.876 2.274 26.068 1.00 37.15 O HETATM 1494 O HOH 62 4.275 -14.470 20.552 1.00 39.75 O HETATM 1495 O HOH 63 6.896 18.989 30.473 1.00 49.31 O HETATM 1496 O HOH 64 1.420 -14.358 -8.333 1.00 54.57 O HETATM 1497 O HOH 65 12.527 -0.734 -6.025 1.00 47.82 O HETATM 1498 O HOH 66 -1.175 5.039 17.812 1.00 51.35 O HETATM 1499 O HOH 67 5.370 2.880 -0.484 1.00 42.04 O HETATM 1500 O HOH 68 8.265 -8.608 22.973 1.00 50.12 O HETATM 1501 O HOH 69 14.017 -0.415 25.713 1.00 32.49 O HETATM 1502 O HOH 70 -1.177 -10.530 -5.046 1.00 41.49 O HETATM 1503 O HOH 71 -0.341 -8.389 -4.249 1.00 50.92 O HETATM 1504 O HOH 72 6.151 -23.002 10.878 1.00 56.97 O HETATM 1505 O HOH 73 3.312 -2.340 -3.462 1.00 48.08 O HETATM 1506 O HOH 74 18.848 -10.563 0.692 1.00 42.34 O HETATM 1507 O HOH 75 -0.309 -2.376 5.081 1.00 39.97 O HETATM 1508 O HOH 76 -0.957 -10.259 -8.405 1.00 54.04 O HETATM 1509 O HOH 77 0.318 -4.357 -1.466 1.00 48.66 O HETATM 1510 O HOH 78 20.136 -14.627 5.073 1.00 42.42 O HETATM 1511 O HOH 79 -0.789 -7.791 4.172 1.00 45.72 O HETATM 1512 O HOH 80 5.747 -14.285 22.469 1.00 54.75 O HETATM 1513 O HOH 81 -0.548 -2.817 1.329 1.00 61.37 O HETATM 1514 O HOH 82 -1.393 -7.378 2.129 1.00 54.15 O HETATM 1515 O HOH 83 -4.209 -6.758 -3.634 1.00 58.05 O HETATM 1516 C63 J A 1 3.473 -7.004 -1.763 1.00 -0.01 C HETATM 1517 C64 J A 1 4.306 -7.081 -3.032 1.00 0.09 C HETATM 1518 O65 J A 1 4.846 -5.773 -3.514 1.00 -0.37 O HETATM 1519 C66 J A 1 5.263 -4.805 -2.498 1.00 0.09 C HETATM 1520 C67 J A 1 4.379 -4.736 -1.221 1.00 -0.01 C HETATM 1521 N62 J A 1 4.008 -6.082 -0.736 1.00 0.24 N HETATM 1522 C61 J A 1 2.976 -6.008 0.315 1.00 -0.03 C HETATM 1523 C52 J A 1 3.685 -5.710 1.652 1.00 0.01 C HETATM 1524 C51 J A 1 2.995 -6.295 2.902 1.00 0.05 C HETATM 1525 C53 J A 1 1.667 -5.620 3.303 1.00 0.03 C HETATM 1526 S54 J A 1 2.054 -3.865 3.621 1.00 -0.10 S HETATM 1527 C55 J A 1 2.041 -3.807 5.440 1.00 0.02 C HETATM 1528 C56 J A 1 2.994 -3.011 6.087 1.00 -0.05 C HETATM 1529 C57 J A 1 3.091 -2.880 7.475 1.00 -0.07 C HETATM 1530 C58 J A 1 2.218 -3.549 8.323 1.00 -0.07 C HETATM 1531 C59 J A 1 1.255 -4.343 7.696 1.00 -0.07 C HETATM 1532 C60 J A 1 1.170 -4.471 6.305 1.00 -0.05 C HETATM 1533 H21 J A 1 0.401 -5.108 5.885 1.00 0.06 H HETATM 1534 H20 J A 1 0.544 -4.882 8.312 1.00 0.06 H HETATM 1535 H19 J A 1 2.280 -3.461 9.402 1.00 0.06 H HETATM 1536 H18 J A 1 3.861 -2.245 7.897 1.00 0.06 H HETATM 1537 H17 J A 1 3.700 -2.463 5.474 1.00 0.06 H HETATM 1538 H15 J A 1 1.260 -6.090 4.211 1.00 0.04 H HETATM 1539 H16 J A 1 0.935 -5.706 2.486 1.00 0.04 H HETATM 1540 N50 J A 1 3.900 -6.170 4.054 1.00 -0.32 N HETATM 1541 C40 J A 1 3.533 -6.833 5.226 1.00 0.06 C HETATM 1542 C41 J A 1 4.381 -6.694 6.311 1.00 0.12 C HETATM 1543 C42 J A 1 4.098 -7.319 7.508 1.00 -0.02 C HETATM 1544 C37 J A 1 2.938 -8.085 7.579 1.00 0.10 C HETATM 1545 C38 J A 1 2.052 -8.257 6.518 1.00 -0.05 C HETATM 1546 C39 J A 1 2.370 -7.610 5.326 1.00 -0.04 C HETATM 1547 H24 J A 1 1.713 -7.708 4.469 1.00 0.05 H HETATM 1548 H25 J A 1 1.159 -8.864 6.615 1.00 0.06 H HETATM 1549 S34 J A 1 2.685 -8.821 9.110 1.00 0.08 S HETATM 1550 O35 J A 1 4.027 -9.250 9.596 1.00 -0.15 O HETATM 1551 O36 J A 1 1.941 -10.115 8.888 1.00 -0.15 O HETATM 1552 N32 J A 1 2.066 -7.849 10.143 1.00 -0.15 N HETATM 1553 C31 J A 1 0.828 -7.464 9.925 1.00 0.22 C HETATM 1554 O33 J A 1 0.317 -7.863 8.895 1.00 -0.38 O HETATM 1555 C5 J A 1 0.283 -6.420 10.880 1.00 0.05 C HETATM 1556 C6 J A 1 0.984 -6.079 12.028 1.00 -0.04 C HETATM 1557 C1 J A 1 0.504 -5.122 12.916 1.00 -0.05 C HETATM 1558 C2 J A 1 -0.700 -4.482 12.673 1.00 -0.02 C HETATM 1559 C3 J A 1 -1.417 -4.812 11.520 1.00 -0.05 C HETATM 1560 C4 J A 1 -0.924 -5.767 10.639 1.00 -0.04 C HETATM 1561 H29 J A 1 -1.490 -6.009 9.746 1.00 0.07 H HETATM 1562 H30 J A 1 -2.361 -4.321 11.312 1.00 0.06 H HETATM 1563 C7 J A 1 -1.163 -3.466 13.650 1.00 -0.02 C HETATM 1564 C12 J A 1 -2.119 -2.550 13.238 1.00 -0.06 C HETATM 1565 C11 J A 1 -2.580 -1.573 14.114 1.00 -0.06 C HETATM 1566 C10 J A 1 -2.110 -1.484 15.417 1.00 -0.03 C HETATM 1567 C9 J A 1 -1.150 -2.386 15.851 1.00 -0.06 C HETATM 1568 C8 J A 1 -0.700 -3.354 14.957 1.00 -0.06 C HETATM 1569 H33 J A 1 0.051 -4.058 15.297 1.00 0.06 H HETATM 1570 H34 J A 1 -0.760 -2.339 16.861 1.00 0.06 H HETATM 1571 C13 J A 1 -2.665 -0.379 16.317 1.00 0.06 C HETATM 1572 C14 J A 1 -3.384 -0.777 17.593 1.00 -0.01 C HETATM 1573 N16 J A 1 -4.806 -0.589 17.298 1.00 0.24 N HETATM 1574 C17 J A 1 -5.205 0.682 17.917 1.00 -0.03 C HETATM 1575 C18 J A 1 -5.641 0.242 19.318 1.00 -0.01 C HETATM 1576 C19 J A 1 -5.366 -1.269 19.366 1.00 -0.01 C HETATM 1577 C20 J A 1 -5.551 -1.694 17.911 1.00 -0.03 C HETATM 1578 H45 J A 1 -5.098 -2.674 17.699 1.00 0.08 H HETATM 1579 H46 J A 1 -6.609 -1.706 17.609 1.00 0.08 H HETATM 1580 H43 J A 1 -6.084 -1.782 20.023 1.00 0.03 H HETATM 1581 H44 J A 1 -4.342 -1.474 19.711 1.00 0.03 H HETATM 1582 H41 J A 1 -6.711 0.445 19.471 1.00 0.03 H HETATM 1583 H42 J A 1 -5.055 0.766 20.087 1.00 0.03 H HETATM 1584 H39 J A 1 -6.037 1.148 17.369 1.00 0.08 H HETATM 1585 H40 J A 1 -4.359 1.384 17.965 1.00 0.08 H HETATM 1586 H38 J A 1 -4.968 -0.566 16.303 1.00 0.20 H HETATM 1587 H36 J A 1 -3.074 -0.133 18.429 1.00 0.09 H HETATM 1588 H37 J A 1 -3.176 -1.828 17.843 1.00 0.09 H HETATM 1589 C15 J A 1 -1.487 0.578 16.502 1.00 -0.01 C HETATM 1590 C23 J A 1 -1.433 1.543 15.502 1.00 -0.04 C HETATM 1591 C26 J A 1 -0.409 2.478 15.550 1.00 0.11 C HETATM 1592 O30 J A 1 -0.127 3.537 14.685 1.00 -0.30 O HETATM 1593 C29 J A 1 1.308 3.762 14.912 1.00 0.18 C HETATM 1594 O28 J A 1 1.406 3.476 16.354 1.00 -0.30 O HETATM 1595 C27 J A 1 0.525 2.428 16.579 1.00 0.11 C HETATM 1596 C22 J A 1 0.501 1.477 17.589 1.00 -0.02 C HETATM 1597 C21 J A 1 -0.536 0.547 17.530 1.00 0.08 C HETATM 1598 O24 J A 1 -0.591 -0.400 18.508 1.00 -0.33 O HETATM 1599 C25 J A 1 -0.373 0.006 19.881 1.00 0.06 C HETATM 1600 H51 J A 1 -0.451 -0.872 20.540 1.00 0.06 H HETATM 1601 H52 J A 1 -1.132 0.749 20.169 1.00 0.06 H HETATM 1602 H53 J A 1 0.629 0.449 19.978 1.00 0.06 H HETATM 1603 H50 J A 1 1.245 1.458 18.378 1.00 0.04 H HETATM 1604 H48 J A 1 1.597 4.799 14.684 1.00 0.10 H HETATM 1605 H49 J A 1 1.925 3.071 14.319 1.00 0.10 H HETATM 1606 H47 J A 1 -2.170 1.564 14.707 1.00 0.04 H HETATM 1607 H35 J A 1 -3.426 0.152 15.727 1.00 0.06 H HETATM 1608 H32 J A 1 -3.325 -0.864 13.771 1.00 0.06 H HETATM 1609 H31 J A 1 -2.509 -2.596 12.228 1.00 0.06 H HETATM 1610 H28 J A 1 1.076 -4.876 13.803 1.00 0.06 H HETATM 1611 H27 J A 1 1.927 -6.570 12.238 1.00 0.07 H HETATM 1612 H26 J A 1 2.582 -7.529 10.938 1.00 0.21 H HETATM 1613 H23 J A 1 4.756 -7.217 8.363 1.00 0.06 H HETATM 1614 S43 J A 1 5.825 -5.728 6.189 1.00 0.09 S HETATM 1615 O48 J A 1 5.535 -4.567 5.327 1.00 -0.16 O HETATM 1616 O49 J A 1 6.282 -5.462 7.594 1.00 -0.16 O HETATM 1617 C44 J A 1 7.038 -6.836 5.383 1.00 0.52 C HETATM 1618 F46 J A 1 6.333 -7.401 4.405 1.00 -0.15 F HETATM 1619 F47 J A 1 7.422 -7.782 6.250 1.00 -0.15 F HETATM 1620 F45 J A 1 8.155 -6.233 4.967 1.00 -0.15 F HETATM 1621 H22 J A 1 4.767 -5.617 3.998 1.00 0.18 H HETATM 1622 H14 J A 1 2.794 -7.359 2.707 1.00 0.06 H HETATM 1623 H12 J A 1 3.740 -4.618 1.773 1.00 0.03 H HETATM 1624 H13 J A 1 4.702 -6.125 1.599 1.00 0.03 H HETATM 1625 H10 J A 1 2.440 -6.966 0.381 1.00 0.08 H HETATM 1626 H11 J A 1 2.262 -5.204 0.083 1.00 0.08 H HETATM 1627 H9 J A 1 4.841 -6.496 -0.348 1.00 0.20 H HETATM 1628 H7 J A 1 3.461 -4.176 -1.453 1.00 0.08 H HETATM 1629 H8 J A 1 4.937 -4.214 -0.430 1.00 0.08 H HETATM 1630 H5 J A 1 5.262 -3.808 -2.962 1.00 0.06 H HETATM 1631 H6 J A 1 6.286 -5.064 -2.186 1.00 0.06 H HETATM 1632 H3 J A 1 3.676 -7.504 -3.828 1.00 0.06 H HETATM 1633 H4 J A 1 5.157 -7.752 -2.842 1.00 0.06 H HETATM 1634 H1 J A 1 3.418 -8.012 -1.326 1.00 0.08 H HETATM 1635 H2 J A 1 2.462 -6.667 -2.035 1.00 0.08 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 230 231 239 240 241 CONECT 239 230 CONECT 240 230 CONECT 241 230 CONECT 1516 1517 1521 1634 1635 CONECT 1517 1516 1518 1632 1633 CONECT 1518 1517 1519 CONECT 1519 1518 1520 1630 1631 CONECT 1520 1519 1521 1628 1629 CONECT 1521 1516 1520 1522 1627 CONECT 1522 1521 1523 1625 1626 CONECT 1523 1522 1524 1623 1624 CONECT 1524 1523 1525 1540 1622 CONECT 1525 1524 1526 1538 1539 CONECT 1526 1525 1527 CONECT 1527 1526 1528 1532 CONECT 1528 1527 1529 1537 CONECT 1529 1528 1530 1536 CONECT 1530 1529 1531 1535 CONECT 1531 1530 1532 1534 CONECT 1532 1527 1531 1533 CONECT 1533 1532 CONECT 1534 1531 CONECT 1535 1530 CONECT 1536 1529 CONECT 1537 1528 CONECT 1538 1525 CONECT 1539 1525 CONECT 1540 1524 1541 1621 CONECT 1541 1540 1542 1546 CONECT 1542 1541 1543 1614 CONECT 1543 1542 1544 1613 CONECT 1544 1543 1545 1549 CONECT 1545 1544 1546 1548 CONECT 1546 1541 1545 1547 CONECT 1547 1546 CONECT 1548 1545 CONECT 1549 1544 1550 1551 1552 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1549 1553 1612 CONECT 1553 1552 1554 1555 CONECT 1554 1553 CONECT 1555 1553 1556 1560 CONECT 1556 1555 1557 1611 CONECT 1557 1556 1558 1610 CONECT 1558 1557 1559 1563 CONECT 1559 1558 1560 1562 CONECT 1560 1555 1559 1561 CONECT 1561 1560 CONECT 1562 1559 CONECT 1563 1558 1564 1568 CONECT 1564 1563 1565 1609 CONECT 1565 1564 1566 1608 CONECT 1566 1565 1567 1571 CONECT 1567 1566 1568 1570 CONECT 1568 1563 1567 1569 CONECT 1569 1568 CONECT 1570 1567 CONECT 1571 1566 1572 1589 1607 CONECT 1572 1571 1573 1587 1588 CONECT 1573 1572 1574 1577 1586 CONECT 1574 1573 1575 1584 1585 CONECT 1575 1574 1576 1582 1583 CONECT 1576 1575 1577 1580 1581 CONECT 1577 1573 1576 1578 1579 CONECT 1578 1577 CONECT 1579 1577 CONECT 1580 1576 CONECT 1581 1576 CONECT 1582 1575 CONECT 1583 1575 CONECT 1584 1574 CONECT 1585 1574 CONECT 1586 1573 CONECT 1587 1572 CONECT 1588 1572 CONECT 1589 1571 1590 1597 CONECT 1590 1589 1591 1606 CONECT 1591 1590 1592 1595 CONECT 1592 1591 1593 CONECT 1593 1592 1594 1604 1605 CONECT 1594 1593 1595 CONECT 1595 1591 1594 1596 CONECT 1596 1595 1597 1603 CONECT 1597 1589 1596 1598 CONECT 1598 1597 1599 CONECT 1599 1598 1600 1601 1602 CONECT 1600 1599 CONECT 1601 1599 CONECT 1602 1599 CONECT 1603 1596 CONECT 1604 1593 CONECT 1605 1593 CONECT 1606 1590 CONECT 1607 1571 CONECT 1608 1565 CONECT 1609 1564 CONECT 1610 1557 CONECT 1611 1556 CONECT 1612 1552 CONECT 1613 1543 CONECT 1614 1542 1615 1616 1617 CONECT 1615 1614 CONECT 1616 1614 CONECT 1617 1614 1618 1619 1620 CONECT 1618 1617 CONECT 1619 1617 CONECT 1620 1617 CONECT 1621 1540 CONECT 1622 1524 CONECT 1623 1523 CONECT 1624 1523 CONECT 1625 1522 CONECT 1626 1522 CONECT 1627 1521 CONECT 1628 1520 CONECT 1629 1520 CONECT 1630 1519 CONECT 1631 1519 CONECT 1632 1517 CONECT 1633 1517 CONECT 1634 1516 CONECT 1635 1516 MASTER 0 0 0 0 0 0 0 0 1633 2 128 12 END
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Structure:
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Related entries of code: 6qgj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6qgk
RCSB PDB
PDBbind
177aa, >6QGK_1|Chain... at 98%
6qgh
RCSB PDB
PDBbind
177aa, >6QGH_1|Chain... at 100%
6qgg
RCSB PDB
PDBbind
177aa, >6QGG_1|Chain... *
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
6qgj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human Bcl-2
Ligand Name
J1T
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=0.001uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Omega Vol. 4: pp. 8892-8906
Ligand Properties
Formula
C
4
8
H
5
3
F
3
N
4
O
9
S
3
Molecular Weight
983.146
Exact Mass
982.293
No. of atoms
120
No. of bonds
127
Polar Surface Area
197.27
LOGP Value
9.25 (
Computed with XLOGP3
)
10.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 8
Canonical SMILES
COc1cc2OCOc2cc1[C@@H](c1ccc(cc1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(c(c1)S(=O)(=O)C(F)(F)F)N[C@@H](CSc1ccccc1)CC[NH+]1CCOCC1)C[NH+]1CCCC1
InChI String
InChI=1S/C48H51F3N4O9S3/c1-61-43-29-45-44(63-32-64-45)28-40(43)41(30-55-20-5-6-21-55)35-13-9-33(10-14-35)34-11-15-36(16-12-34)47(56)53-67(59,60)39-17-18-42(46(27-39)66(57,58)48(49,50)51)52-37(19-22-54-23-25-62-26-24-54)31-65-38-7-3-2-4-8-38/h2-4,7-18,27-29,37,41,52H,5-6,19-26,30-32H2,1H3,(H,53,56)/p+2/t37-,41-/m1/s1
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UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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