Browse entries in the PDBbind-CN Database
HEADER 4Q0K_COMPLEX COMPND 4Q0K_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 MET ILE LYS GLU PHE ASN THR GLN THR THR LEU ASN VAL SEQRES 2 A 154 GLY LEU GLU ALA LEU TRP ALA ALA GLN SER LYS ASP ILE SEQRES 3 A 154 THR LEU VAL VAL PRO LYS VAL LEU PRO ASN ILE VAL LYS SEQRES 4 A 154 ASP VAL GLN VAL ILE GLU GLY ASP GLY GLY VAL GLY THR SEQRES 5 A 154 LYS LEU ILE PHE ASN PHE LEU PRO GLY ILE ALA PRO VAL SEQRES 6 A 154 ASN TYR GLN ARG GLU VAL ILE THR GLU TYR ASP GLU LEU SEQRES 7 A 154 SER HIS THR ILE GLY LEU GLN VAL VAL GLU GLY GLY TYR SEQRES 8 A 154 LEU ASN GLN GLY LEU SER TYR TYR LYS THR THR PHE GLN SEQRES 9 A 154 PHE SER ALA ILE SER GLU ASN LYS THR LEU VAL ASN VAL SEQRES 10 A 154 LYS ILE SER TYR ASP HIS GLU SER GLU LEU ILE GLU GLU SEQRES 11 A 154 LYS VAL LYS PRO THR LYS THR SER GLU SER THR LEU PHE SEQRES 12 A 154 TYR LEU GLY GLN LEU GLU LYS PHE LEU LEU ASN HET GA A 3 46 ATOM 1 N MET A 1 2.404 -0.155 40.627 1.00 37.08 N ATOM 2 CA MET A 1 1.857 0.967 41.449 1.00 36.53 C ATOM 3 C MET A 1 1.468 2.249 40.639 1.00 34.67 C ATOM 4 O MET A 1 0.358 2.758 40.737 1.00 34.98 O ATOM 5 CB MET A 1 2.885 1.325 42.536 1.00 37.53 C ATOM 6 CG MET A 1 4.271 1.764 42.006 1.00 38.21 C ATOM 7 SD MET A 1 4.809 0.963 40.460 1.00 39.77 S ATOM 8 CE MET A 1 6.580 0.877 40.744 1.00 39.36 C ATOM 9 HN3 MET A 1 3.265 0.163 40.138 1.00 0.00 H ATOM 10 HN2 MET A 1 1.694 -0.448 39.926 1.00 0.00 H ATOM 11 HN1 MET A 1 2.632 -0.958 41.247 1.00 0.00 H ATOM 12 N ILE A 2 2.413 2.776 39.877 1.00 33.17 N ATOM 13 CA ILE A 2 2.266 4.048 39.176 1.00 27.76 C ATOM 14 C ILE A 2 1.425 3.836 37.919 1.00 24.59 C ATOM 15 O ILE A 2 1.632 2.887 37.164 1.00 26.16 O ATOM 16 CB ILE A 2 3.660 4.609 38.790 1.00 28.62 C ATOM 17 CG1 ILE A 2 4.543 4.895 40.054 1.00 31.73 C ATOM 18 CG2 ILE A 2 3.506 5.849 37.973 1.00 28.38 C ATOM 19 CD1 ILE A 2 6.042 5.224 39.734 1.00 33.38 C ATOM 20 H ILE A 2 3.308 2.256 39.772 1.00 0.00 H ATOM 21 N LYS A 3 0.445 4.673 37.770 1.00 20.81 N ATOM 22 CA LYS A 3 -0.373 4.675 36.586 1.00 17.91 C ATOM 23 C LYS A 3 0.179 5.680 35.584 1.00 14.95 C ATOM 24 O LYS A 3 0.807 6.675 35.932 1.00 14.46 O ATOM 25 CB LYS A 3 -1.791 5.076 36.944 1.00 20.98 C ATOM 26 CG LYS A 3 -2.491 3.967 37.680 1.00 24.66 C ATOM 27 CD LYS A 3 -3.612 4.515 38.500 1.00 27.76 C ATOM 28 CE LYS A 3 -3.109 5.110 39.770 1.00 30.08 C ATOM 29 NZ LYS A 3 -2.862 4.037 40.801 1.00 31.34 N ATOM 30 HZ1 LYS A 3 -3.751 3.533 40.994 1.00 0.00 H ATOM 31 HZ2 LYS A 3 -2.153 3.367 40.439 1.00 0.00 H ATOM 32 HZ3 LYS A 3 -2.512 4.474 41.677 1.00 0.00 H ATOM 33 H LYS A 3 0.246 5.360 38.525 1.00 0.00 H ATOM 34 N GLU A 4 -0.041 5.392 34.313 1.00 15.27 N ATOM 35 CA GLU A 4 0.488 6.227 33.237 1.00 14.75 C ATOM 36 C GLU A 4 -0.558 6.505 32.174 1.00 15.08 C ATOM 37 O GLU A 4 -1.345 5.614 31.816 1.00 17.80 O ATOM 38 CB GLU A 4 1.609 5.465 32.597 1.00 18.70 C ATOM 39 CG GLU A 4 2.344 6.209 31.608 1.00 21.98 C ATOM 40 CD GLU A 4 3.498 5.379 31.025 1.00 23.35 C ATOM 41 OE1 GLU A 4 4.390 4.922 31.828 1.00 24.87 O ATOM 42 OE2 GLU A 4 3.485 5.232 29.767 1.00 24.00 O ATOM 43 H GLU A 4 -0.604 4.551 34.073 1.00 0.00 H ATOM 44 N PHE A 5 -0.610 7.754 31.722 1.00 13.54 N ATOM 45 CA PHE A 5 -1.473 8.252 30.662 1.00 12.62 C ATOM 46 C PHE A 5 -0.561 8.911 29.642 1.00 11.89 C ATOM 47 O PHE A 5 0.355 9.626 29.988 1.00 13.37 O ATOM 48 CB PHE A 5 -2.434 9.293 31.301 1.00 12.28 C ATOM 49 CG PHE A 5 -3.374 9.987 30.347 1.00 12.25 C ATOM 50 CD1 PHE A 5 -4.626 9.470 30.055 1.00 13.18 C ATOM 51 CD2 PHE A 5 -2.986 11.142 29.700 1.00 12.88 C ATOM 52 CE1 PHE A 5 -5.462 10.136 29.217 1.00 14.05 C ATOM 53 CE2 PHE A 5 -3.856 11.827 28.854 1.00 14.01 C ATOM 54 CZ PHE A 5 -5.080 11.322 28.639 1.00 14.87 C ATOM 55 H PHE A 5 0.028 8.442 32.170 1.00 0.00 H ATOM 56 N ASN A 6 -0.850 8.702 28.377 1.00 12.32 N ATOM 57 CA ASN A 6 -0.121 9.333 27.295 1.00 12.88 C ATOM 58 C ASN A 6 -1.052 10.052 26.332 1.00 13.07 C ATOM 59 O ASN A 6 -2.128 9.555 26.007 1.00 13.91 O ATOM 60 CB ASN A 6 0.676 8.300 26.521 1.00 14.02 C ATOM 61 CG ASN A 6 1.823 7.735 27.327 1.00 14.71 C ATOM 62 OD1 ASN A 6 2.899 8.312 27.360 1.00 17.33 O ATOM 63 ND2 ASN A 6 1.590 6.664 28.021 1.00 16.22 N ATOM 64 HD22 ASN A 6 0.660 6.201 27.966 1.00 0.00 H ATOM 65 HD21 ASN A 6 2.333 6.269 28.632 1.00 0.00 H ATOM 66 H ASN A 6 -1.633 8.058 28.143 1.00 0.00 H ATOM 67 N THR A 7 -0.568 11.167 25.819 1.00 12.53 N ATOM 68 CA THR A 7 -1.204 11.794 24.705 1.00 13.38 C ATOM 69 C THR A 7 -0.130 12.475 23.845 1.00 13.13 C ATOM 70 O THR A 7 1.033 12.431 24.138 1.00 14.61 O ATOM 71 CB THR A 7 -2.345 12.721 25.125 1.00 14.45 C ATOM 72 OG1 THR A 7 -3.107 13.000 23.949 1.00 14.89 O ATOM 73 CG2 THR A 7 -1.825 13.965 25.764 1.00 16.40 C ATOM 74 HG1 THR A 7 -3.860 13.601 24.180 1.00 0.00 H ATOM 75 H THR A 7 0.286 11.594 26.231 1.00 0.00 H ATOM 76 N GLN A 8 -0.567 13.068 22.770 1.00 14.09 N ATOM 77 CA GLN A 8 0.287 13.749 21.800 1.00 14.32 C ATOM 78 C GLN A 8 -0.388 14.998 21.310 1.00 14.27 C ATOM 79 O GLN A 8 -1.628 15.060 21.238 1.00 15.75 O ATOM 80 CB GLN A 8 0.557 12.836 20.605 1.00 18.51 C ATOM 81 CG GLN A 8 1.291 11.543 20.873 1.00 21.36 C ATOM 82 CD GLN A 8 1.630 10.841 19.601 1.00 24.43 C ATOM 83 OE1 GLN A 8 0.852 10.842 18.670 1.00 27.38 O ATOM 84 NE2 GLN A 8 2.808 10.295 19.536 1.00 25.64 N ATOM 85 HE22 GLN A 8 3.439 10.320 20.362 1.00 0.00 H ATOM 86 HE21 GLN A 8 3.119 9.833 18.658 1.00 0.00 H ATOM 87 H GLN A 8 -1.591 13.056 22.591 1.00 0.00 H ATOM 88 N THR A 9 0.424 15.971 20.975 1.00 12.69 N ATOM 89 CA THR A 9 -0.059 17.141 20.266 1.00 12.06 C ATOM 90 C THR A 9 0.975 17.478 19.222 1.00 12.38 C ATOM 91 O THR A 9 2.136 17.164 19.354 1.00 13.41 O ATOM 92 CB THR A 9 -0.328 18.303 21.232 1.00 13.75 C ATOM 93 OG1 THR A 9 -0.877 19.424 20.544 1.00 15.22 O ATOM 94 CG2 THR A 9 0.843 18.760 22.016 1.00 14.81 C ATOM 95 HG1 THR A 9 -1.041 20.157 21.188 1.00 0.00 H ATOM 96 H THR A 9 1.432 15.903 21.222 1.00 0.00 H ATOM 97 N THR A 10 0.533 18.139 18.162 1.00 12.48 N ATOM 98 CA THR A 10 1.437 18.656 17.139 1.00 13.37 C ATOM 99 C THR A 10 1.389 20.160 17.153 1.00 12.79 C ATOM 100 O THR A 10 0.306 20.728 17.111 1.00 14.48 O ATOM 101 CB THR A 10 1.029 18.138 15.772 1.00 15.80 C ATOM 102 OG1 THR A 10 1.131 16.716 15.870 1.00 16.98 O ATOM 103 CG2 THR A 10 1.910 18.661 14.677 1.00 17.94 C ATOM 104 HG1 THR A 10 0.877 16.308 15.005 1.00 0.00 H ATOM 105 H THR A 10 -0.490 18.294 18.056 1.00 0.00 H ATOM 106 N LEU A 11 2.546 20.776 17.214 1.00 12.63 N ATOM 107 CA LEU A 11 2.666 22.212 17.270 1.00 12.66 C ATOM 108 C LEU A 11 3.387 22.718 16.015 1.00 13.25 C ATOM 109 O LEU A 11 4.299 22.101 15.544 1.00 13.58 O ATOM 110 CB LEU A 11 3.428 22.642 18.520 1.00 12.92 C ATOM 111 CG LEU A 11 2.856 22.170 19.858 1.00 12.98 C ATOM 112 CD1 LEU A 11 3.693 22.661 21.004 1.00 13.99 C ATOM 113 CD2 LEU A 11 1.413 22.597 20.033 1.00 14.02 C ATOM 114 H LEU A 11 3.414 20.204 17.222 1.00 0.00 H ATOM 115 N ASN A 12 2.921 23.830 15.488 1.00 13.58 N ATOM 116 CA ASN A 12 3.524 24.438 14.304 1.00 14.31 C ATOM 117 C ASN A 12 4.680 25.368 14.639 1.00 14.19 C ATOM 118 O ASN A 12 4.729 26.470 14.191 1.00 14.93 O ATOM 119 CB ASN A 12 2.446 25.180 13.542 1.00 16.90 C ATOM 120 CG ASN A 12 1.451 24.257 12.933 1.00 21.54 C ATOM 121 OD1 ASN A 12 1.806 23.306 12.340 1.00 24.80 O ATOM 122 ND2 ASN A 12 0.207 24.529 13.141 1.00 23.04 N ATOM 123 HD22 ASN A 12 -0.057 25.383 13.672 1.00 0.00 H ATOM 124 HD21 ASN A 12 -0.532 23.894 12.778 1.00 0.00 H ATOM 125 H ASN A 12 2.098 24.290 15.928 1.00 0.00 H ATOM 126 N VAL A 13 5.626 24.875 15.408 1.00 15.67 N ATOM 127 CA VAL A 13 6.873 25.571 15.664 1.00 17.17 C ATOM 128 C VAL A 13 7.968 24.527 15.662 1.00 15.34 C ATOM 129 O VAL A 13 7.733 23.388 15.879 1.00 15.84 O ATOM 130 CB VAL A 13 6.856 26.357 16.976 1.00 23.65 C ATOM 131 CG1 VAL A 13 5.757 27.355 17.010 1.00 27.18 C ATOM 132 CG2 VAL A 13 6.659 25.465 18.109 1.00 25.58 C ATOM 133 H VAL A 13 5.474 23.947 15.852 1.00 0.00 H ATOM 134 N GLY A 14 9.174 24.945 15.366 1.00 16.93 N ATOM 135 CA GLY A 14 10.302 24.058 15.267 1.00 16.98 C ATOM 136 C GLY A 14 10.826 23.492 16.567 1.00 16.75 C ATOM 137 O GLY A 14 10.582 24.027 17.604 1.00 16.83 O ATOM 138 H GLY A 14 9.322 25.960 15.196 1.00 0.00 H ATOM 139 N LEU A 15 11.546 22.399 16.440 1.00 16.91 N ATOM 140 CA LEU A 15 11.976 21.639 17.600 1.00 18.22 C ATOM 141 C LEU A 15 12.863 22.440 18.521 1.00 18.44 C ATOM 142 O LEU A 15 12.697 22.419 19.712 1.00 17.42 O ATOM 143 CB LEU A 15 12.700 20.389 17.109 1.00 21.20 C ATOM 144 CG LEU A 15 13.471 19.479 18.065 1.00 23.42 C ATOM 145 CD1 LEU A 15 12.542 18.809 18.854 1.00 22.12 C ATOM 146 CD2 LEU A 15 14.311 18.486 17.275 1.00 25.25 C ATOM 147 H LEU A 15 11.813 22.072 15.489 1.00 0.00 H ATOM 148 N GLU A 16 13.859 23.102 17.978 1.00 18.79 N ATOM 149 CA GLU A 16 14.834 23.756 18.840 1.00 19.18 C ATOM 150 C GLU A 16 14.203 24.869 19.649 1.00 18.59 C ATOM 151 O GLU A 16 14.526 25.066 20.809 1.00 17.82 O ATOM 152 CB GLU A 16 16.010 24.289 18.010 1.00 21.91 C ATOM 153 CG GLU A 16 16.845 23.194 17.337 1.00 25.22 C ATOM 154 CD GLU A 16 17.511 22.182 18.326 1.00 28.98 C ATOM 155 OE1 GLU A 16 17.660 22.450 19.561 1.00 29.42 O ATOM 156 OE2 GLU A 16 17.883 21.096 17.838 1.00 31.69 O ATOM 157 H GLU A 16 13.950 23.159 16.944 1.00 0.00 H ATOM 158 N ALA A 17 13.260 25.594 19.057 1.00 17.99 N ATOM 159 CA ALA A 17 12.605 26.674 19.773 1.00 17.71 C ATOM 160 C ALA A 17 11.781 26.118 20.933 1.00 16.42 C ATOM 161 O ALA A 17 11.795 26.641 22.039 1.00 16.52 O ATOM 162 CB ALA A 17 11.718 27.499 18.837 1.00 18.39 C ATOM 163 H ALA A 17 12.989 25.387 18.074 1.00 0.00 H ATOM 164 N LEU A 18 11.021 25.070 20.682 1.00 15.93 N ATOM 165 CA LEU A 18 10.254 24.414 21.741 1.00 15.99 C ATOM 166 C LEU A 18 11.130 23.854 22.822 1.00 15.75 C ATOM 167 O LEU A 18 10.834 23.983 24.025 1.00 15.65 O ATOM 168 CB LEU A 18 9.371 23.322 21.143 1.00 16.38 C ATOM 169 CG LEU A 18 8.175 23.823 20.383 1.00 16.80 C ATOM 170 CD1 LEU A 18 7.646 22.713 19.556 1.00 16.75 C ATOM 171 CD2 LEU A 18 7.093 24.271 21.359 1.00 16.84 C ATOM 172 H LEU A 18 10.966 24.702 19.711 1.00 0.00 H ATOM 173 N TRP A 19 12.181 23.154 22.428 1.00 16.18 N ATOM 174 CA TRP A 19 13.033 22.493 23.410 1.00 15.98 C ATOM 175 C TRP A 19 13.707 23.552 24.318 1.00 16.33 C ATOM 176 O TRP A 19 13.755 23.376 25.539 1.00 16.65 O ATOM 177 CB TRP A 19 14.075 21.628 22.713 1.00 16.25 C ATOM 178 CG TRP A 19 15.120 21.092 23.625 1.00 16.53 C ATOM 179 CD1 TRP A 19 16.435 21.389 23.620 1.00 17.74 C ATOM 180 CD2 TRP A 19 14.932 20.119 24.683 1.00 15.54 C ATOM 181 NE1 TRP A 19 17.089 20.707 24.615 1.00 18.90 N ATOM 182 CE2 TRP A 19 16.190 19.902 25.280 1.00 16.64 C ATOM 183 CE3 TRP A 19 13.830 19.402 25.176 1.00 15.01 C ATOM 184 CZ2 TRP A 19 16.357 18.986 26.323 1.00 16.76 C ATOM 185 CZ3 TRP A 19 14.017 18.535 26.213 1.00 15.05 C ATOM 186 CH2 TRP A 19 15.265 18.329 26.763 1.00 15.64 C ATOM 187 HE1 TRP A 19 18.103 20.785 24.833 1.00 0.00 H ATOM 188 H TRP A 19 12.401 23.075 21.415 1.00 0.00 H ATOM 189 N ALA A 20 14.212 24.632 23.738 1.00 16.55 N ATOM 190 CA ALA A 20 14.802 25.705 24.545 1.00 17.33 C ATOM 191 C ALA A 20 13.794 26.261 25.548 1.00 16.85 C ATOM 192 O ALA A 20 14.098 26.464 26.716 1.00 18.80 O ATOM 193 CB ALA A 20 15.340 26.808 23.688 1.00 18.69 C ATOM 194 H ALA A 20 14.190 24.719 22.702 1.00 0.00 H ATOM 195 N ALA A 21 12.582 26.526 25.083 1.00 16.55 N ATOM 196 CA ALA A 21 11.556 27.084 25.949 1.00 15.93 C ATOM 197 C ALA A 21 11.209 26.160 27.124 1.00 17.26 C ATOM 198 O ALA A 21 10.870 26.645 28.203 1.00 19.68 O ATOM 199 CB ALA A 21 10.316 27.378 25.141 1.00 17.63 C ATOM 200 H ALA A 21 12.362 26.332 24.085 1.00 0.00 H ATOM 201 N GLN A 22 11.212 24.868 26.878 1.00 15.99 N ATOM 202 CA GLN A 22 10.783 23.879 27.852 1.00 16.90 C ATOM 203 C GLN A 22 11.902 23.427 28.773 1.00 17.63 C ATOM 204 O GLN A 22 11.666 22.757 29.754 1.00 20.18 O ATOM 205 CB GLN A 22 10.208 22.676 27.114 1.00 17.55 C ATOM 206 CG GLN A 22 9.562 21.665 28.007 1.00 22.15 C ATOM 207 CD GLN A 22 8.379 22.245 28.695 1.00 25.39 C ATOM 208 OE1 GLN A 22 7.476 22.738 28.068 1.00 29.84 O ATOM 209 NE2 GLN A 22 8.385 22.185 29.978 1.00 26.44 N ATOM 210 HE22 GLN A 22 9.188 21.749 30.474 1.00 0.00 H ATOM 211 HE21 GLN A 22 7.587 22.572 30.520 1.00 0.00 H ATOM 212 H GLN A 22 11.536 24.540 25.946 1.00 0.00 H ATOM 213 N SER A 23 13.128 23.781 28.437 1.00 18.17 N ATOM 214 CA SER A 23 14.264 23.393 29.243 1.00 20.02 C ATOM 215 C SER A 23 15.023 24.591 29.766 1.00 20.78 C ATOM 216 O SER A 23 14.709 25.127 30.813 1.00 20.26 O ATOM 217 CB SER A 23 15.166 22.447 28.464 1.00 20.47 C ATOM 218 OG SER A 23 15.718 23.043 27.316 1.00 21.59 O ATOM 219 HG SER A 23 14.988 23.332 26.712 1.00 0.00 H ATOM 220 H SER A 23 13.280 24.348 27.579 1.00 0.00 H ATOM 221 N LYS A 24 15.996 25.054 29.009 1.00 20.82 N ATOM 222 CA LYS A 24 16.866 26.059 29.565 1.00 22.22 C ATOM 223 C LYS A 24 16.233 27.417 29.801 1.00 20.43 C ATOM 224 O LYS A 24 16.735 28.152 30.656 1.00 20.94 O ATOM 225 CB LYS A 24 18.121 26.223 28.715 1.00 25.91 C ATOM 226 CG LYS A 24 17.905 26.795 27.390 1.00 27.82 C ATOM 227 CD LYS A 24 19.251 27.055 26.660 1.00 29.45 C ATOM 228 CE LYS A 24 18.956 27.670 25.310 1.00 31.40 C ATOM 229 NZ LYS A 24 20.151 28.074 24.609 1.00 34.04 N ATOM 230 HZ1 LYS A 24 20.662 28.780 25.176 1.00 0.00 H ATOM 231 HZ2 LYS A 24 20.759 27.244 24.456 1.00 0.00 H ATOM 232 HZ3 LYS A 24 19.890 28.488 23.691 1.00 0.00 H ATOM 233 H LYS A 24 16.132 24.705 28.039 1.00 0.00 H ATOM 234 N ASP A 25 15.154 27.752 29.100 1.00 18.82 N ATOM 235 CA ASP A 25 14.544 29.047 29.261 1.00 19.09 C ATOM 236 C ASP A 25 13.193 28.981 30.003 1.00 17.60 C ATOM 237 O ASP A 25 12.457 29.951 30.037 1.00 17.92 O ATOM 238 CB ASP A 25 14.334 29.698 27.895 1.00 19.46 C ATOM 239 CG ASP A 25 15.609 29.942 27.149 1.00 22.62 C ATOM 240 OD1 ASP A 25 16.600 30.332 27.799 1.00 24.50 O ATOM 241 OD2 ASP A 25 15.535 29.819 25.898 1.00 24.13 O ATOM 242 H ASP A 25 14.746 27.071 28.428 1.00 0.00 H ATOM 243 N ILE A 26 12.884 27.856 30.643 1.00 16.86 N ATOM 244 CA ILE A 26 11.566 27.616 31.224 1.00 16.97 C ATOM 245 C ILE A 26 11.157 28.675 32.222 1.00 17.05 C ATOM 246 O ILE A 26 9.996 29.089 32.271 1.00 17.07 O ATOM 247 CB ILE A 26 11.469 26.188 31.816 1.00 17.07 C ATOM 248 CG1 ILE A 26 10.034 25.785 32.055 1.00 17.93 C ATOM 249 CG2 ILE A 26 12.352 26.040 33.067 1.00 17.90 C ATOM 250 CD1 ILE A 26 9.850 24.338 32.504 1.00 18.41 C ATOM 251 H ILE A 26 13.611 27.118 30.733 1.00 0.00 H ATOM 252 N THR A 27 12.113 29.146 33.016 1.00 18.12 N ATOM 253 CA THR A 27 11.739 30.065 34.090 1.00 22.12 C ATOM 254 C THR A 27 11.360 31.415 33.615 1.00 22.66 C ATOM 255 O THR A 27 10.513 32.056 34.272 1.00 23.29 O ATOM 256 CB THR A 27 12.791 30.186 35.218 1.00 25.53 C ATOM 257 OG1 THR A 27 13.961 30.789 34.691 1.00 26.81 O ATOM 258 CG2 THR A 27 13.090 28.823 35.821 1.00 26.55 C ATOM 259 HG1 THR A 27 14.318 30.228 33.958 1.00 0.00 H ATOM 260 H THR A 27 13.105 28.867 32.877 1.00 0.00 H ATOM 261 N LEU A 28 11.882 31.843 32.458 1.00 22.51 N ATOM 262 CA LEU A 28 11.462 33.125 31.925 1.00 24.11 C ATOM 263 C LEU A 28 10.326 33.038 30.924 1.00 21.63 C ATOM 264 O LEU A 28 9.524 33.969 30.811 1.00 22.41 O ATOM 265 CB LEU A 28 12.648 33.857 31.360 1.00 27.22 C ATOM 266 CG LEU A 28 13.720 34.131 32.447 1.00 29.40 C ATOM 267 CD1 LEU A 28 14.921 34.825 31.822 1.00 30.04 C ATOM 268 CD2 LEU A 28 13.242 34.968 33.641 1.00 31.03 C ATOM 269 H LEU A 28 12.579 31.264 31.948 1.00 0.00 H ATOM 270 N VAL A 29 10.209 31.899 30.245 1.00 19.26 N ATOM 271 CA VAL A 29 9.174 31.706 29.220 1.00 17.38 C ATOM 272 C VAL A 29 7.798 31.403 29.854 1.00 15.87 C ATOM 273 O VAL A 29 6.784 31.959 29.399 1.00 15.62 O ATOM 274 CB VAL A 29 9.566 30.601 28.215 1.00 18.65 C ATOM 275 CG1 VAL A 29 8.389 30.218 27.323 1.00 19.10 C ATOM 276 CG2 VAL A 29 10.715 31.047 27.380 1.00 20.35 C ATOM 277 H VAL A 29 10.870 31.122 30.446 1.00 0.00 H ATOM 278 N VAL A 30 7.736 30.550 30.890 1.00 14.66 N ATOM 279 CA VAL A 30 6.442 30.144 31.398 1.00 14.00 C ATOM 280 C VAL A 30 5.560 31.321 31.844 1.00 14.95 C ATOM 281 O VAL A 30 4.410 31.368 31.466 1.00 15.25 O ATOM 282 CB VAL A 30 6.549 29.047 32.473 1.00 14.24 C ATOM 283 CG1 VAL A 30 5.251 28.846 33.216 1.00 14.75 C ATOM 284 CG2 VAL A 30 6.971 27.746 31.818 1.00 14.43 C ATOM 285 H VAL A 30 8.608 30.185 31.323 1.00 0.00 H ATOM 286 N PRO A 31 6.116 32.315 32.579 1.00 15.49 N ATOM 287 CA PRO A 31 5.242 33.457 32.943 1.00 16.79 C ATOM 288 C PRO A 31 4.744 34.279 31.770 1.00 17.45 C ATOM 289 O PRO A 31 3.712 34.934 31.855 1.00 19.05 O ATOM 290 CB PRO A 31 6.111 34.292 33.925 1.00 18.04 C ATOM 291 CG PRO A 31 7.081 33.324 34.415 1.00 18.32 C ATOM 292 CD PRO A 31 7.409 32.429 33.251 1.00 17.70 C ATOM 293 N LYS A 32 5.490 34.290 30.671 1.00 17.68 N ATOM 294 CA LYS A 32 5.083 35.027 29.469 1.00 18.23 C ATOM 295 C LYS A 32 4.019 34.250 28.690 1.00 16.59 C ATOM 296 O LYS A 32 3.170 34.842 28.035 1.00 19.63 O ATOM 297 CB LYS A 32 6.263 35.302 28.547 1.00 20.51 C ATOM 298 CG LYS A 32 7.298 36.174 29.142 1.00 23.09 C ATOM 299 CD LYS A 32 8.448 36.427 28.200 1.00 26.56 C ATOM 300 CE LYS A 32 9.514 37.261 28.853 1.00 31.06 C ATOM 301 NZ LYS A 32 10.540 37.513 27.832 1.00 34.08 N ATOM 302 HZ1 LYS A 32 10.929 36.607 27.503 1.00 0.00 H ATOM 303 HZ2 LYS A 32 10.113 38.020 27.031 1.00 0.00 H ATOM 304 HZ3 LYS A 32 11.302 38.090 28.243 1.00 0.00 H ATOM 305 H LYS A 32 6.386 33.762 30.662 1.00 0.00 H ATOM 306 N VAL A 33 4.048 32.939 28.794 1.00 15.86 N ATOM 307 CA VAL A 33 3.117 32.068 28.123 1.00 15.48 C ATOM 308 C VAL A 33 1.797 32.016 28.859 1.00 16.38 C ATOM 309 O VAL A 33 0.720 31.931 28.226 1.00 17.88 O ATOM 310 CB VAL A 33 3.732 30.638 27.971 1.00 15.26 C ATOM 311 CG1 VAL A 33 2.716 29.638 27.520 1.00 15.10 C ATOM 312 CG2 VAL A 33 4.920 30.640 27.035 1.00 16.32 C ATOM 313 H VAL A 33 4.782 32.508 29.392 1.00 0.00 H ATOM 314 N LEU A 34 1.889 32.002 30.193 1.00 15.86 N ATOM 315 CA LEU A 34 0.719 31.870 31.070 1.00 17.17 C ATOM 316 C LEU A 34 0.575 33.036 32.034 1.00 17.68 C ATOM 317 O LEU A 34 0.582 32.860 33.254 1.00 16.72 O ATOM 318 CB LEU A 34 0.820 30.564 31.885 1.00 16.53 C ATOM 319 CG LEU A 34 0.994 29.271 31.106 1.00 17.88 C ATOM 320 CD1 LEU A 34 1.177 28.067 32.023 1.00 18.11 C ATOM 321 CD2 LEU A 34 -0.177 29.091 30.181 1.00 19.43 C ATOM 322 H LEU A 34 2.830 32.088 30.628 1.00 0.00 H ATOM 323 N PRO A 35 0.438 34.257 31.501 1.00 19.59 N ATOM 324 CA PRO A 35 0.529 35.435 32.356 1.00 21.42 C ATOM 325 C PRO A 35 -0.659 35.570 33.344 1.00 22.76 C ATOM 326 O PRO A 35 -0.532 36.229 34.378 1.00 23.96 O ATOM 327 CB PRO A 35 0.545 36.577 31.314 1.00 21.95 C ATOM 328 CG PRO A 35 -0.226 36.014 30.138 1.00 21.99 C ATOM 329 CD PRO A 35 0.240 34.605 30.081 1.00 20.65 C ATOM 330 N ASN A 36 -1.764 34.906 33.087 1.00 22.49 N ATOM 331 CA ASN A 36 -2.879 34.928 34.010 1.00 24.45 C ATOM 332 C ASN A 36 -2.942 33.753 34.968 1.00 21.83 C ATOM 333 O ASN A 36 -3.924 33.562 35.637 1.00 22.44 O ATOM 334 CB ASN A 36 -4.177 35.046 33.242 1.00 27.99 C ATOM 335 CG ASN A 36 -4.267 36.330 32.452 1.00 32.47 C ATOM 336 OD1 ASN A 36 -3.667 37.332 32.792 1.00 33.35 O ATOM 337 ND2 ASN A 36 -4.996 36.278 31.368 1.00 35.20 N ATOM 338 HD22 ASN A 36 -5.492 35.399 31.116 1.00 0.00 H ATOM 339 HD21 ASN A 36 -5.080 37.116 30.757 1.00 0.00 H ATOM 340 H ASN A 36 -1.838 34.356 32.207 1.00 0.00 H ATOM 341 N ILE A 37 -1.900 32.936 34.958 1.00 19.01 N ATOM 342 CA ILE A 37 -1.781 31.787 35.826 1.00 18.83 C ATOM 343 C ILE A 37 -0.492 31.782 36.650 1.00 17.31 C ATOM 344 O ILE A 37 -0.521 31.619 37.845 1.00 17.59 O ATOM 345 CB ILE A 37 -1.869 30.493 35.000 1.00 20.32 C ATOM 346 CG1 ILE A 37 -3.180 30.451 34.238 1.00 22.04 C ATOM 347 CG2 ILE A 37 -1.731 29.286 35.888 1.00 20.39 C ATOM 348 CD1 ILE A 37 -3.310 29.273 33.316 1.00 24.12 C ATOM 349 H ILE A 37 -1.127 33.132 34.290 1.00 0.00 H ATOM 350 N VAL A 38 0.634 31.977 35.987 1.00 16.79 N ATOM 351 CA VAL A 38 1.960 31.853 36.629 1.00 17.05 C ATOM 352 C VAL A 38 2.529 33.225 36.871 1.00 17.85 C ATOM 353 O VAL A 38 2.692 33.994 35.920 1.00 20.32 O ATOM 354 CB VAL A 38 2.948 30.996 35.769 1.00 17.49 C ATOM 355 CG1 VAL A 38 4.267 30.839 36.511 1.00 18.14 C ATOM 356 CG2 VAL A 38 2.375 29.652 35.519 1.00 18.20 C ATOM 357 H VAL A 38 0.586 32.226 34.978 1.00 0.00 H ATOM 358 N LYS A 39 2.789 33.559 38.132 1.00 17.48 N ATOM 359 CA LYS A 39 3.418 34.841 38.489 1.00 19.67 C ATOM 360 C LYS A 39 4.869 34.827 38.144 1.00 19.30 C ATOM 361 O LYS A 39 5.388 35.752 37.512 1.00 20.69 O ATOM 362 CB LYS A 39 3.323 35.030 39.991 1.00 21.65 C ATOM 363 CG LYS A 39 2.026 35.492 40.490 1.00 26.03 C ATOM 364 CD LYS A 39 2.058 35.810 41.988 1.00 28.95 C ATOM 365 CE LYS A 39 2.857 37.033 42.336 1.00 30.39 C ATOM 366 NZ LYS A 39 2.613 37.481 43.751 1.00 32.38 N ATOM 367 HZ1 LYS A 39 1.605 37.705 43.873 1.00 0.00 H ATOM 368 HZ2 LYS A 39 2.882 36.719 44.406 1.00 0.00 H ATOM 369 HZ3 LYS A 39 3.184 38.327 43.949 1.00 0.00 H ATOM 370 H LYS A 39 2.540 32.893 38.890 1.00 0.00 H ATOM 371 N ASP A 40 5.579 33.794 38.572 1.00 18.58 N ATOM 372 CA ASP A 40 7.013 33.698 38.302 1.00 19.26 C ATOM 373 C ASP A 40 7.459 32.266 38.556 1.00 18.17 C ATOM 374 O ASP A 40 6.736 31.473 39.154 1.00 17.99 O ATOM 375 CB ASP A 40 7.748 34.680 39.185 1.00 21.99 C ATOM 376 CG ASP A 40 7.552 34.367 40.660 1.00 25.40 C ATOM 377 OD1 ASP A 40 8.255 33.473 41.163 1.00 27.32 O ATOM 378 OD2 ASP A 40 6.721 35.026 41.332 1.00 28.29 O ATOM 379 H ASP A 40 5.108 33.038 39.109 1.00 0.00 H ATOM 380 N VAL A 41 8.659 31.954 38.094 1.00 17.62 N ATOM 381 CA VAL A 41 9.260 30.648 38.248 1.00 17.19 C ATOM 382 C VAL A 41 10.711 30.837 38.576 1.00 17.90 C ATOM 383 O VAL A 41 11.386 31.634 37.981 1.00 19.43 O ATOM 384 CB VAL A 41 9.171 29.811 36.966 1.00 16.57 C ATOM 385 CG1 VAL A 41 9.656 28.366 37.204 1.00 17.87 C ATOM 386 CG2 VAL A 41 7.742 29.799 36.472 1.00 16.37 C ATOM 387 H VAL A 41 9.199 32.688 37.593 1.00 0.00 H ATOM 388 N GLN A 42 11.200 30.099 39.571 1.00 18.04 N ATOM 389 CA GLN A 42 12.620 30.173 39.923 1.00 19.29 C ATOM 390 C GLN A 42 13.288 28.841 39.935 1.00 18.11 C ATOM 391 O GLN A 42 12.694 27.844 40.316 1.00 17.53 O ATOM 392 CB GLN A 42 12.837 30.780 41.292 1.00 24.13 C ATOM 393 CG GLN A 42 12.728 32.220 41.273 1.00 30.11 C ATOM 394 CD GLN A 42 11.416 32.612 41.615 1.00 33.32 C ATOM 395 OE1 GLN A 42 10.833 32.063 42.575 1.00 35.71 O ATOM 396 NE2 GLN A 42 10.863 33.582 40.852 1.00 33.39 N ATOM 397 HE22 GLN A 42 11.404 33.998 40.067 1.00 0.00 H ATOM 398 HE21 GLN A 42 9.897 33.912 41.050 1.00 0.00 H ATOM 399 H GLN A 42 10.569 29.465 40.102 1.00 0.00 H ATOM 400 N VAL A 43 14.557 28.853 39.569 1.00 19.41 N ATOM 401 CA VAL A 43 15.442 27.746 39.824 1.00 19.41 C ATOM 402 C VAL A 43 15.942 27.876 41.247 1.00 21.10 C ATOM 403 O VAL A 43 16.656 28.839 41.601 1.00 22.91 O ATOM 404 CB VAL A 43 16.670 27.761 38.918 1.00 22.67 C ATOM 405 CG1 VAL A 43 17.534 26.555 39.211 1.00 23.32 C ATOM 406 CG2 VAL A 43 16.266 27.816 37.498 1.00 24.83 C ATOM 407 H VAL A 43 14.930 29.691 39.079 1.00 0.00 H ATOM 408 N ILE A 44 15.583 26.924 42.080 1.00 19.69 N ATOM 409 CA ILE A 44 16.051 26.876 43.459 1.00 20.08 C ATOM 410 C ILE A 44 17.496 26.402 43.512 1.00 20.87 C ATOM 411 O ILE A 44 18.313 26.904 44.269 1.00 22.35 O ATOM 412 CB ILE A 44 15.147 25.922 44.271 1.00 21.64 C ATOM 413 CG1 ILE A 44 13.764 26.538 44.365 1.00 23.48 C ATOM 414 CG2 ILE A 44 15.723 25.664 45.665 1.00 23.93 C ATOM 415 CD1 ILE A 44 12.813 25.638 44.801 1.00 26.22 C ATOM 416 H ILE A 44 14.942 26.178 41.742 1.00 0.00 H ATOM 417 N GLU A 45 17.804 25.411 42.706 1.00 19.31 N ATOM 418 CA GLU A 45 19.094 24.746 42.703 1.00 18.59 C ATOM 419 C GLU A 45 19.202 23.925 41.427 1.00 17.35 C ATOM 420 O GLU A 45 18.219 23.403 40.929 1.00 16.68 O ATOM 421 CB GLU A 45 19.197 23.826 43.904 1.00 19.10 C ATOM 422 CG GLU A 45 20.563 23.263 44.221 1.00 20.47 C ATOM 423 CD GLU A 45 20.486 22.266 45.348 1.00 23.54 C ATOM 424 OE1 GLU A 45 19.656 21.326 45.207 1.00 24.07 O ATOM 425 OE2 GLU A 45 21.313 22.393 46.283 1.00 27.52 O ATOM 426 H GLU A 45 17.082 25.085 42.032 1.00 0.00 H ATOM 427 N GLY A 46 20.425 23.806 40.930 1.00 17.71 N ATOM 428 CA GLY A 46 20.753 22.942 39.813 1.00 17.96 C ATOM 429 C GLY A 46 20.939 23.629 38.484 1.00 18.91 C ATOM 430 O GLY A 46 20.676 24.835 38.329 1.00 19.75 O ATOM 431 H GLY A 46 21.189 24.362 41.364 1.00 0.00 H ATOM 432 N ASP A 47 21.418 22.853 37.521 1.00 18.72 N ATOM 433 CA ASP A 47 21.853 23.393 36.229 1.00 19.99 C ATOM 434 C ASP A 47 20.919 23.055 35.083 1.00 19.52 C ATOM 435 O ASP A 47 21.198 23.420 33.925 1.00 20.85 O ATOM 436 CB ASP A 47 23.280 22.954 35.896 1.00 22.29 C ATOM 437 CG ASP A 47 23.420 21.495 35.567 1.00 25.86 C ATOM 438 OD1 ASP A 47 22.449 20.749 35.443 1.00 25.59 O ATOM 439 OD2 ASP A 47 24.584 21.107 35.344 1.00 29.22 O ATOM 440 H ASP A 47 21.487 21.829 37.688 1.00 0.00 H ATOM 441 N GLY A 48 19.789 22.427 35.410 1.00 17.16 N ATOM 442 CA GLY A 48 18.819 22.026 34.419 1.00 17.23 C ATOM 443 C GLY A 48 18.689 20.542 34.233 1.00 16.73 C ATOM 444 O GLY A 48 17.672 20.064 33.729 1.00 18.19 O ATOM 445 H GLY A 48 19.600 22.219 36.411 1.00 0.00 H ATOM 446 N GLY A 49 19.665 19.787 34.712 1.00 16.51 N ATOM 447 CA GLY A 49 19.591 18.360 34.605 1.00 15.33 C ATOM 448 C GLY A 49 18.914 17.686 35.758 1.00 14.42 C ATOM 449 O GLY A 49 18.290 18.296 36.592 1.00 13.31 O ATOM 450 H GLY A 49 20.488 20.231 35.167 1.00 0.00 H ATOM 451 N VAL A 50 19.010 16.364 35.803 1.00 14.35 N ATOM 452 CA VAL A 50 18.335 15.588 36.868 1.00 13.83 C ATOM 453 C VAL A 50 18.690 16.101 38.239 1.00 13.00 C ATOM 454 O VAL A 50 19.859 16.317 38.576 1.00 13.02 O ATOM 455 CB VAL A 50 18.670 14.103 36.737 1.00 13.87 C ATOM 456 CG1 VAL A 50 18.178 13.302 37.900 1.00 13.64 C ATOM 457 CG2 VAL A 50 18.107 13.609 35.417 1.00 15.40 C ATOM 458 H VAL A 50 19.567 15.865 35.080 1.00 0.00 H ATOM 459 N GLY A 51 17.656 16.302 39.033 1.00 12.15 N ATOM 460 CA GLY A 51 17.750 16.785 40.410 1.00 12.33 C ATOM 461 C GLY A 51 17.618 18.291 40.541 1.00 12.42 C ATOM 462 O GLY A 51 17.517 18.781 41.661 1.00 13.55 O ATOM 463 H GLY A 51 16.708 16.103 38.653 1.00 0.00 H ATOM 464 N THR A 52 17.538 19.015 39.432 1.00 11.83 N ATOM 465 CA THR A 52 17.269 20.437 39.474 1.00 12.46 C ATOM 466 C THR A 52 15.933 20.685 40.108 1.00 12.57 C ATOM 467 O THR A 52 14.961 19.990 39.806 1.00 12.41 O ATOM 468 CB THR A 52 17.297 21.006 38.050 1.00 13.94 C ATOM 469 OG1 THR A 52 18.620 20.911 37.534 1.00 14.53 O ATOM 470 CG2 THR A 52 16.949 22.445 37.964 1.00 13.72 C ATOM 471 HG1 THR A 52 18.900 19.961 37.519 1.00 0.00 H ATOM 472 H THR A 52 17.672 18.550 38.511 1.00 0.00 H ATOM 473 N LYS A 53 15.871 21.690 40.967 1.00 12.95 N ATOM 474 CA LYS A 53 14.678 22.025 41.743 1.00 13.64 C ATOM 475 C LYS A 53 14.136 23.356 41.232 1.00 13.79 C ATOM 476 O LYS A 53 14.861 24.350 41.183 1.00 14.11 O ATOM 477 CB LYS A 53 15.038 22.166 43.228 1.00 14.94 C ATOM 478 CG LYS A 53 15.536 20.916 43.844 1.00 17.03 C ATOM 479 CD LYS A 53 16.165 21.213 45.218 1.00 20.56 C ATOM 480 CE LYS A 53 16.852 19.936 45.703 1.00 23.47 C ATOM 481 NZ LYS A 53 17.764 20.142 46.700 1.00 26.14 N ATOM 482 HZ1 LYS A 53 18.509 20.783 46.360 1.00 0.00 H ATOM 483 HZ2 LYS A 53 17.288 20.567 47.521 1.00 0.00 H ATOM 484 HZ3 LYS A 53 18.186 19.232 46.975 1.00 0.00 H ATOM 485 H LYS A 53 16.720 22.276 41.098 1.00 0.00 H ATOM 486 N LEU A 54 12.831 23.392 40.932 1.00 13.68 N ATOM 487 CA LEU A 54 12.136 24.568 40.431 1.00 13.86 C ATOM 488 C LEU A 54 10.949 24.860 41.294 1.00 13.55 C ATOM 489 O LEU A 54 10.299 23.929 41.794 1.00 13.64 O ATOM 490 CB LEU A 54 11.617 24.343 38.983 1.00 15.42 C ATOM 491 CG LEU A 54 12.643 23.938 37.944 1.00 17.42 C ATOM 492 CD1 LEU A 54 11.913 23.723 36.608 1.00 19.06 C ATOM 493 CD2 LEU A 54 13.760 24.895 37.819 1.00 19.60 C ATOM 494 H LEU A 54 12.278 22.522 41.066 1.00 0.00 H ATOM 495 N ILE A 55 10.616 26.124 41.446 1.00 14.22 N ATOM 496 CA ILE A 55 9.347 26.544 42.037 1.00 14.17 C ATOM 497 C ILE A 55 8.544 27.383 41.074 1.00 14.08 C ATOM 498 O ILE A 55 9.069 28.345 40.489 1.00 16.12 O ATOM 499 CB ILE A 55 9.559 27.297 43.380 1.00 17.08 C ATOM 500 CG1 ILE A 55 8.213 27.590 44.034 1.00 22.78 C ATOM 501 CG2 ILE A 55 10.419 28.546 43.254 1.00 18.72 C ATOM 502 CD1 ILE A 55 8.261 27.868 45.462 1.00 25.93 C ATOM 503 H ILE A 55 11.285 26.856 41.132 1.00 0.00 H ATOM 504 N PHE A 56 7.285 26.996 40.873 1.00 13.44 N ATOM 505 CA PHE A 56 6.332 27.759 40.064 1.00 14.07 C ATOM 506 C PHE A 56 5.385 28.431 41.032 1.00 14.91 C ATOM 507 O PHE A 56 4.746 27.745 41.830 1.00 15.04 O ATOM 508 CB PHE A 56 5.522 26.822 39.175 1.00 14.33 C ATOM 509 CG PHE A 56 6.341 26.141 38.102 1.00 14.18 C ATOM 510 CD1 PHE A 56 7.245 25.156 38.388 1.00 14.06 C ATOM 511 CD2 PHE A 56 6.275 26.577 36.789 1.00 15.91 C ATOM 512 CE1 PHE A 56 8.028 24.559 37.395 1.00 14.64 C ATOM 513 CE2 PHE A 56 7.023 26.026 35.808 1.00 17.47 C ATOM 514 CZ PHE A 56 7.919 25.002 36.112 1.00 16.05 C ATOM 515 H PHE A 56 6.964 26.110 41.312 1.00 0.00 H ATOM 516 N ASN A 57 5.279 29.752 41.000 1.00 15.55 N ATOM 517 CA ASN A 57 4.388 30.534 41.843 1.00 15.85 C ATOM 518 C ASN A 57 3.206 30.965 41.013 1.00 16.34 C ATOM 519 O ASN A 57 3.373 31.563 39.940 1.00 16.51 O ATOM 520 CB ASN A 57 5.148 31.730 42.435 1.00 17.79 C ATOM 521 CG ASN A 57 6.195 31.278 43.412 1.00 19.62 C ATOM 522 OD1 ASN A 57 5.887 30.604 44.396 1.00 22.11 O ATOM 523 ND2 ASN A 57 7.457 31.661 43.165 1.00 21.49 N ATOM 524 HD22 ASN A 57 7.672 32.230 42.321 1.00 0.00 H ATOM 525 HD21 ASN A 57 8.220 31.389 43.817 1.00 0.00 H ATOM 526 H ASN A 57 5.877 30.267 40.322 1.00 0.00 H ATOM 527 N PHE A 58 2.015 30.623 41.480 1.00 16.14 N ATOM 528 CA PHE A 58 0.774 30.918 40.779 1.00 15.96 C ATOM 529 C PHE A 58 0.039 32.112 41.318 1.00 17.96 C ATOM 530 O PHE A 58 0.102 32.408 42.521 1.00 19.73 O ATOM 531 CB PHE A 58 -0.177 29.706 40.824 1.00 16.99 C ATOM 532 CG PHE A 58 0.420 28.465 40.278 1.00 16.69 C ATOM 533 CD1 PHE A 58 0.982 28.459 38.985 1.00 17.30 C ATOM 534 CD2 PHE A 58 0.429 27.285 41.018 1.00 18.20 C ATOM 535 CE1 PHE A 58 1.533 27.272 38.475 1.00 17.23 C ATOM 536 CE2 PHE A 58 0.962 26.118 40.476 1.00 19.00 C ATOM 537 CZ PHE A 58 1.512 26.139 39.226 1.00 18.27 C ATOM 538 H PHE A 58 1.964 30.121 42.389 1.00 0.00 H ATOM 539 N LEU A 59 -0.754 32.753 40.475 1.00 18.34 N ATOM 540 CA LEU A 59 -1.716 33.759 40.953 1.00 18.77 C ATOM 541 C LEU A 59 -2.752 33.066 41.840 1.00 21.11 C ATOM 542 O LEU A 59 -3.318 32.055 41.418 1.00 23.51 O ATOM 543 CB LEU A 59 -2.442 34.417 39.793 1.00 20.24 C ATOM 544 CG LEU A 59 -1.520 35.298 38.943 1.00 23.12 C ATOM 545 CD1 LEU A 59 -2.261 35.823 37.735 1.00 27.12 C ATOM 546 CD2 LEU A 59 -0.981 36.474 39.690 1.00 26.29 C ATOM 547 H LEU A 59 -0.697 32.543 39.458 1.00 0.00 H ATOM 548 N PRO A 60 -2.976 33.554 43.051 1.00 21.66 N ATOM 549 CA PRO A 60 -3.981 32.906 43.905 1.00 22.88 C ATOM 550 C PRO A 60 -5.405 33.053 43.393 1.00 22.77 C ATOM 551 O PRO A 60 -5.715 34.001 42.677 1.00 23.67 O ATOM 552 CB PRO A 60 -3.845 33.646 45.240 1.00 23.82 C ATOM 553 CG PRO A 60 -2.598 34.372 45.198 1.00 23.54 C ATOM 554 CD PRO A 60 -2.166 34.530 43.787 1.00 21.84 C ATOM 555 N GLY A 61 -6.269 32.131 43.756 1.00 24.19 N ATOM 556 CA GLY A 61 -7.688 32.243 43.443 1.00 27.25 C ATOM 557 C GLY A 61 -8.175 31.485 42.252 1.00 30.43 C ATOM 558 O GLY A 61 -9.380 31.475 42.000 1.00 30.84 O ATOM 559 H GLY A 61 -5.931 31.299 44.281 1.00 0.00 H ATOM 560 N ILE A 62 -7.240 30.910 41.527 1.00 30.54 N ATOM 561 CA ILE A 62 -7.526 30.101 40.368 1.00 33.78 C ATOM 562 C ILE A 62 -7.600 28.643 40.743 1.00 32.63 C ATOM 563 O ILE A 62 -8.598 27.984 40.483 1.00 34.56 O ATOM 564 CB ILE A 62 -6.374 30.209 39.359 1.00 36.59 C ATOM 565 CG1 ILE A 62 -6.214 31.636 38.870 1.00 38.57 C ATOM 566 CG2 ILE A 62 -6.583 29.303 38.158 1.00 38.24 C ATOM 567 CD1 ILE A 62 -4.986 31.832 38.021 1.00 38.67 C ATOM 568 H ILE A 62 -6.246 31.045 41.803 1.00 0.00 H ATOM 569 N ALA A 63 -6.557 28.172 41.411 1.00 30.88 N ATOM 570 CA ALA A 63 -6.461 26.775 41.796 1.00 29.55 C ATOM 571 C ALA A 63 -6.480 26.641 43.292 1.00 27.80 C ATOM 572 O ALA A 63 -6.456 27.631 44.010 1.00 28.19 O ATOM 573 CB ALA A 63 -5.166 26.158 41.254 1.00 29.58 C ATOM 574 H ALA A 63 -5.786 28.821 41.667 1.00 0.00 H ATOM 575 N PRO A 64 -6.541 25.406 43.777 1.00 26.13 N ATOM 576 CA PRO A 64 -6.566 25.209 45.217 1.00 25.31 C ATOM 577 C PRO A 64 -5.197 25.359 45.890 1.00 24.91 C ATOM 578 O PRO A 64 -5.084 25.123 47.063 1.00 24.98 O ATOM 579 CB PRO A 64 -7.137 23.790 45.376 1.00 26.41 C ATOM 580 CG PRO A 64 -7.571 23.401 44.012 1.00 28.26 C ATOM 581 CD PRO A 64 -6.845 24.184 43.036 1.00 27.09 C ATOM 582 N VAL A 65 -4.182 25.753 45.139 1.00 25.04 N ATOM 583 CA VAL A 65 -2.816 25.864 45.661 1.00 25.05 C ATOM 584 C VAL A 65 -2.236 27.051 44.998 1.00 24.65 C ATOM 585 O VAL A 65 -2.759 27.406 43.897 1.00 26.27 O ATOM 586 CB VAL A 65 -1.929 24.691 45.193 1.00 27.21 C ATOM 587 CG1 VAL A 65 -2.428 23.395 45.709 1.00 29.07 C ATOM 588 CG2 VAL A 65 -1.812 24.589 43.622 1.00 28.86 C ATOM 589 H VAL A 65 -4.359 25.993 44.143 1.00 0.00 H ATOM 590 N ASN A 66 -1.212 27.695 45.608 1.00 21.29 N ATOM 591 CA ASN A 66 -0.593 28.857 44.946 1.00 20.65 C ATOM 592 C ASN A 66 0.859 28.622 44.486 1.00 18.32 C ATOM 593 O ASN A 66 1.531 29.558 44.082 1.00 17.07 O ATOM 594 CB ASN A 66 -0.771 30.113 45.736 1.00 21.80 C ATOM 595 CG ASN A 66 -0.008 30.096 46.987 1.00 23.60 C ATOM 596 OD1 ASN A 66 0.678 29.148 47.266 1.00 24.73 O ATOM 597 ND2 ASN A 66 -0.156 31.135 47.786 1.00 25.40 N ATOM 598 HD22 ASN A 66 -0.761 31.930 47.498 1.00 0.00 H ATOM 599 HD21 ASN A 66 0.332 31.159 48.704 1.00 0.00 H ATOM 600 H ASN A 66 -0.866 27.373 46.534 1.00 0.00 H ATOM 601 N TYR A 67 1.304 27.367 44.487 1.00 16.93 N ATOM 602 CA TYR A 67 2.645 27.043 43.984 1.00 15.64 C ATOM 603 C TYR A 67 2.723 25.573 43.678 1.00 14.51 C ATOM 604 O TYR A 67 1.863 24.768 44.062 1.00 14.73 O ATOM 605 CB TYR A 67 3.709 27.361 45.049 1.00 18.40 C ATOM 606 CG TYR A 67 3.664 26.331 46.157 1.00 20.34 C ATOM 607 CD1 TYR A 67 2.597 26.271 47.053 1.00 21.41 C ATOM 608 CD2 TYR A 67 4.658 25.417 46.301 1.00 20.23 C ATOM 609 CE1 TYR A 67 2.539 25.328 48.029 1.00 23.17 C ATOM 610 CE2 TYR A 67 4.620 24.475 47.310 1.00 22.72 C ATOM 611 CZ TYR A 67 3.546 24.415 48.162 1.00 23.45 C ATOM 612 OH TYR A 67 3.458 23.467 49.195 1.00 26.25 O ATOM 613 HH TYR A 67 4.222 23.583 49.814 1.00 0.00 H ATOM 614 H TYR A 67 0.694 26.606 44.849 1.00 0.00 H ATOM 615 N GLN A 68 3.772 25.194 42.961 1.00 13.51 N ATOM 616 CA GLN A 68 4.255 23.823 42.973 1.00 12.56 C ATOM 617 C GLN A 68 5.753 23.817 42.857 1.00 12.82 C ATOM 618 O GLN A 68 6.341 24.579 42.104 1.00 12.90 O ATOM 619 CB GLN A 68 3.594 22.984 41.872 1.00 12.50 C ATOM 620 CG GLN A 68 3.813 23.424 40.450 1.00 13.33 C ATOM 621 CD GLN A 68 2.768 22.849 39.527 1.00 15.02 C ATOM 622 OE1 GLN A 68 1.651 22.611 39.936 1.00 19.09 O ATOM 623 NE2 GLN A 68 3.086 22.648 38.296 1.00 15.12 N ATOM 624 HE22 GLN A 68 4.050 22.859 37.967 1.00 0.00 H ATOM 625 HE21 GLN A 68 2.379 22.275 37.631 1.00 0.00 H ATOM 626 H GLN A 68 4.263 25.898 42.373 1.00 0.00 H ATOM 627 N ARG A 69 6.410 22.962 43.634 1.00 11.07 N ATOM 628 CA ARG A 69 7.846 22.675 43.521 1.00 10.19 C ATOM 629 C ARG A 69 8.003 21.402 42.716 1.00 10.81 C ATOM 630 O ARG A 69 7.321 20.419 42.964 1.00 10.43 O ATOM 631 CB ARG A 69 8.444 22.480 44.902 1.00 10.08 C ATOM 632 CG ARG A 69 8.702 23.675 45.642 1.00 12.82 C ATOM 633 CD ARG A 69 10.110 24.187 45.439 1.00 13.68 C ATOM 634 NE ARG A 69 11.185 23.255 45.811 1.00 14.33 N ATOM 635 CZ ARG A 69 11.937 23.277 46.931 1.00 14.64 C ATOM 636 NH1 ARG A 69 11.755 24.206 47.819 1.00 15.86 N ATOM 637 NH2 ARG A 69 12.839 22.359 47.175 1.00 13.03 N ATOM 638 HE ARG A 69 11.389 22.492 45.134 1.00 0.00 H ATOM 639 HH12 ARG A 69 12.335 24.222 48.682 1.00 0.00 H ATOM 640 HH11 ARG A 69 11.029 24.935 47.668 1.00 0.00 H ATOM 641 HH22 ARG A 69 13.403 22.403 48.048 1.00 0.00 H ATOM 642 HH21 ARG A 69 12.991 21.586 46.496 1.00 0.00 H ATOM 643 H ARG A 69 5.872 22.463 44.371 1.00 0.00 H ATOM 644 N GLU A 70 8.902 21.449 41.732 1.00 11.96 N ATOM 645 CA GLU A 70 9.154 20.371 40.799 1.00 11.72 C ATOM 646 C GLU A 70 10.630 19.984 40.836 1.00 11.78 C ATOM 647 O GLU A 70 11.487 20.842 41.111 1.00 12.64 O ATOM 648 CB GLU A 70 8.818 20.839 39.366 1.00 13.01 C ATOM 649 CG GLU A 70 7.415 21.329 39.186 1.00 14.37 C ATOM 650 CD GLU A 70 6.424 20.282 39.025 1.00 15.25 C ATOM 651 OE1 GLU A 70 6.716 19.092 38.723 1.00 15.53 O ATOM 652 OE2 GLU A 70 5.223 20.657 39.234 1.00 16.82 O ATOM 653 H GLU A 70 9.461 22.320 41.628 1.00 0.00 H ATOM 654 N VAL A 71 10.943 18.745 40.535 1.00 10.77 N ATOM 655 CA VAL A 71 12.302 18.262 40.376 1.00 11.14 C ATOM 656 C VAL A 71 12.415 17.581 39.033 1.00 11.06 C ATOM 657 O VAL A 71 11.542 16.825 38.608 1.00 11.10 O ATOM 658 CB VAL A 71 12.713 17.358 41.562 1.00 11.52 C ATOM 659 CG1 VAL A 71 11.855 16.098 41.671 1.00 11.69 C ATOM 660 CG2 VAL A 71 14.195 17.030 41.486 1.00 12.63 C ATOM 661 H VAL A 71 10.167 18.066 40.402 1.00 0.00 H ATOM 662 N ILE A 72 13.501 17.852 38.341 1.00 11.09 N ATOM 663 CA ILE A 72 13.753 17.237 37.054 1.00 10.67 C ATOM 664 C ILE A 72 14.211 15.789 37.254 1.00 10.86 C ATOM 665 O ILE A 72 15.148 15.513 38.007 1.00 11.92 O ATOM 666 CB ILE A 72 14.739 18.072 36.221 1.00 10.65 C ATOM 667 CG1 ILE A 72 14.114 19.434 35.910 1.00 10.11 C ATOM 668 CG2 ILE A 72 15.135 17.342 34.979 1.00 10.81 C ATOM 669 CD1 ILE A 72 14.959 20.405 35.092 1.00 9.87 C ATOM 670 H ILE A 72 14.195 18.524 38.727 1.00 0.00 H ATOM 671 N THR A 73 13.567 14.858 36.555 1.00 11.43 N ATOM 672 CA THR A 73 13.856 13.418 36.653 1.00 12.10 C ATOM 673 C THR A 73 14.338 12.774 35.365 1.00 12.95 C ATOM 674 O THR A 73 14.800 11.646 35.387 1.00 12.88 O ATOM 675 CB THR A 73 12.642 12.654 37.130 1.00 13.89 C ATOM 676 OG1 THR A 73 11.628 12.809 36.192 1.00 16.55 O ATOM 677 CG2 THR A 73 12.160 13.148 38.483 1.00 16.13 C ATOM 678 HG1 THR A 73 11.931 12.454 35.319 1.00 0.00 H ATOM 679 H THR A 73 12.817 15.165 35.903 1.00 0.00 H ATOM 680 N GLU A 74 14.325 13.521 34.264 1.00 12.86 N ATOM 681 CA GLU A 74 14.857 13.055 33.016 1.00 13.02 C ATOM 682 C GLU A 74 15.225 14.285 32.230 1.00 12.00 C ATOM 683 O GLU A 74 14.484 15.271 32.230 1.00 11.92 O ATOM 684 CB GLU A 74 13.820 12.221 32.240 1.00 15.12 C ATOM 685 CG GLU A 74 14.398 11.656 30.923 1.00 17.21 C ATOM 686 CD GLU A 74 13.571 10.584 30.280 1.00 19.79 C ATOM 687 OE1 GLU A 74 12.376 10.501 30.578 1.00 20.15 O ATOM 688 OE2 GLU A 74 14.096 9.891 29.374 1.00 22.77 O ATOM 689 H GLU A 74 13.915 14.476 34.310 1.00 0.00 H ATOM 690 N TYR A 75 16.392 14.226 31.583 1.00 12.75 N ATOM 691 CA TYR A 75 16.853 15.341 30.787 1.00 13.05 C ATOM 692 C TYR A 75 17.730 14.742 29.706 1.00 13.80 C ATOM 693 O TYR A 75 18.829 14.337 29.960 1.00 15.18 O ATOM 694 CB TYR A 75 17.665 16.343 31.639 1.00 14.57 C ATOM 695 CG TYR A 75 18.048 17.565 30.868 1.00 17.72 C ATOM 696 CD1 TYR A 75 17.169 18.595 30.704 1.00 20.30 C ATOM 697 CD2 TYR A 75 19.280 17.697 30.312 1.00 21.65 C ATOM 698 CE1 TYR A 75 17.479 19.685 30.005 1.00 22.96 C ATOM 699 CE2 TYR A 75 19.605 18.793 29.578 1.00 23.45 C ATOM 700 CZ TYR A 75 18.670 19.783 29.386 1.00 23.36 C ATOM 701 OH TYR A 75 18.997 20.932 28.687 1.00 27.62 O ATOM 702 HH TYR A 75 18.208 21.529 28.647 1.00 0.00 H ATOM 703 H TYR A 75 16.976 13.368 31.653 1.00 0.00 H ATOM 704 N ASP A 76 17.223 14.639 28.479 1.00 15.47 N ATOM 705 CA ASP A 76 17.904 13.953 27.355 1.00 17.15 C ATOM 706 C ASP A 76 17.895 14.879 26.127 1.00 17.22 C ATOM 707 O ASP A 76 16.862 15.086 25.534 1.00 16.32 O ATOM 708 CB ASP A 76 17.147 12.641 27.061 1.00 19.81 C ATOM 709 CG ASP A 76 17.836 11.753 26.011 1.00 21.82 C ATOM 710 OD1 ASP A 76 18.686 12.255 25.229 1.00 21.85 O ATOM 711 OD2 ASP A 76 17.536 10.522 25.979 1.00 23.44 O ATOM 712 H ASP A 76 16.292 15.066 28.298 1.00 0.00 H ATOM 713 N GLU A 77 19.034 15.448 25.765 1.00 19.28 N ATOM 714 CA GLU A 77 19.117 16.425 24.712 1.00 21.27 C ATOM 715 C GLU A 77 19.060 15.761 23.369 1.00 23.33 C ATOM 716 O GLU A 77 18.596 16.361 22.407 1.00 29.13 O ATOM 717 CB GLU A 77 20.439 17.249 24.902 1.00 25.13 C ATOM 718 CG GLU A 77 20.454 18.016 26.255 1.00 30.07 C ATOM 719 CD GLU A 77 21.808 18.580 26.693 1.00 33.42 C ATOM 720 OE1 GLU A 77 22.527 17.974 27.542 1.00 34.22 O ATOM 721 OE2 GLU A 77 22.119 19.678 26.215 1.00 35.47 O ATOM 722 H GLU A 77 19.906 15.177 26.263 1.00 0.00 H ATOM 723 N LEU A 78 19.381 14.499 23.280 1.00 21.28 N ATOM 724 CA LEU A 78 19.347 13.871 21.975 1.00 20.80 C ATOM 725 C LEU A 78 17.904 13.551 21.568 1.00 21.96 C ATOM 726 O LEU A 78 17.516 13.822 20.431 1.00 24.06 O ATOM 727 CB LEU A 78 20.220 12.643 21.977 1.00 20.34 C ATOM 728 CG LEU A 78 20.245 11.945 20.647 1.00 19.87 C ATOM 729 CD1 LEU A 78 21.064 12.696 19.591 1.00 19.24 C ATOM 730 CD2 LEU A 78 20.829 10.588 20.870 1.00 21.87 C ATOM 731 H LEU A 78 19.654 13.958 24.125 1.00 0.00 H ATOM 732 N SER A 79 17.118 12.999 22.483 1.00 20.10 N ATOM 733 CA SER A 79 15.707 12.715 22.217 1.00 17.67 C ATOM 734 C SER A 79 14.780 13.869 22.563 1.00 16.11 C ATOM 735 O SER A 79 13.567 13.779 22.369 1.00 16.77 O ATOM 736 CB SER A 79 15.253 11.479 22.961 1.00 17.96 C ATOM 737 OG SER A 79 15.211 11.682 24.362 1.00 18.33 O ATOM 738 HG SER A 79 14.579 12.415 24.569 1.00 0.00 H ATOM 739 H SER A 79 17.515 12.762 23.414 1.00 0.00 H ATOM 740 N HIS A 80 15.335 14.943 23.131 1.00 15.12 N ATOM 741 CA HIS A 80 14.582 16.097 23.576 1.00 14.15 C ATOM 742 C HIS A 80 13.443 15.682 24.537 1.00 12.77 C ATOM 743 O HIS A 80 12.268 15.959 24.315 1.00 12.99 O ATOM 744 CB HIS A 80 14.074 16.882 22.373 1.00 14.24 C ATOM 745 CG HIS A 80 15.162 17.320 21.492 1.00 16.56 C ATOM 746 ND1 HIS A 80 15.565 16.596 20.387 1.00 17.55 N ATOM 747 CD2 HIS A 80 16.059 18.320 21.644 1.00 18.03 C ATOM 748 CE1 HIS A 80 16.642 17.173 19.861 1.00 19.41 C ATOM 749 NE2 HIS A 80 16.958 18.222 20.607 1.00 19.72 N ATOM 750 H HIS A 80 16.367 14.951 23.261 1.00 0.00 H ATOM 751 N THR A 81 13.860 15.017 25.611 1.00 13.09 N ATOM 752 CA THR A 81 12.950 14.538 26.644 1.00 12.87 C ATOM 753 C THR A 81 13.255 15.243 27.979 1.00 12.26 C ATOM 754 O THR A 81 14.432 15.327 28.386 1.00 13.63 O ATOM 755 CB THR A 81 13.058 13.056 26.871 1.00 14.43 C ATOM 756 OG1 THR A 81 12.858 12.382 25.642 1.00 16.40 O ATOM 757 CG2 THR A 81 12.068 12.538 27.872 1.00 16.11 C ATOM 758 HG1 THR A 81 13.547 12.671 24.993 1.00 0.00 H ATOM 759 H THR A 81 14.878 14.831 25.718 1.00 0.00 H ATOM 760 N ILE A 82 12.212 15.749 28.639 1.00 11.24 N ATOM 761 CA ILE A 82 12.379 16.363 29.960 1.00 11.51 C ATOM 762 C ILE A 82 11.227 15.914 30.836 1.00 11.31 C ATOM 763 O ILE A 82 10.067 16.001 30.412 1.00 12.22 O ATOM 764 CB ILE A 82 12.546 17.912 29.913 1.00 12.59 C ATOM 765 CG1 ILE A 82 12.921 18.439 31.307 1.00 14.41 C ATOM 766 CG2 ILE A 82 11.399 18.575 29.223 1.00 13.56 C ATOM 767 CD1 ILE A 82 13.378 19.887 31.335 1.00 17.12 C ATOM 768 H ILE A 82 11.266 15.707 28.210 1.00 0.00 H ATOM 769 N GLY A 83 11.536 15.477 32.061 1.00 11.86 N ATOM 770 CA GLY A 83 10.533 15.038 33.016 1.00 11.64 C ATOM 771 C GLY A 83 10.577 15.874 34.279 1.00 11.85 C ATOM 772 O GLY A 83 11.647 16.175 34.785 1.00 12.03 O ATOM 773 H GLY A 83 12.537 15.450 32.342 1.00 0.00 H ATOM 774 N LEU A 84 9.385 16.268 34.745 1.00 10.66 N ATOM 775 CA LEU A 84 9.215 17.088 35.949 1.00 11.09 C ATOM 776 C LEU A 84 8.273 16.391 36.911 1.00 10.34 C ATOM 777 O LEU A 84 7.126 16.119 36.581 1.00 10.78 O ATOM 778 CB LEU A 84 8.644 18.480 35.630 1.00 13.51 C ATOM 779 CG LEU A 84 9.501 19.285 34.660 1.00 16.82 C ATOM 780 CD1 LEU A 84 9.041 19.174 33.200 1.00 18.79 C ATOM 781 CD2 LEU A 84 9.274 20.743 34.995 1.00 19.19 C ATOM 782 H LEU A 84 8.533 15.977 34.225 1.00 0.00 H ATOM 783 N GLN A 85 8.780 16.099 38.098 1.00 10.44 N ATOM 784 CA GLN A 85 8.031 15.424 39.152 1.00 10.06 C ATOM 785 C GLN A 85 7.683 16.442 40.250 1.00 9.95 C ATOM 786 O GLN A 85 8.543 17.157 40.719 1.00 10.43 O ATOM 787 CB GLN A 85 8.879 14.298 39.729 1.00 11.09 C ATOM 788 CG GLN A 85 8.286 13.612 40.964 1.00 12.95 C ATOM 789 CD GLN A 85 9.202 12.525 41.462 1.00 13.95 C ATOM 790 OE1 GLN A 85 9.740 11.744 40.686 1.00 15.67 O ATOM 791 NE2 GLN A 85 9.330 12.426 42.750 1.00 15.43 N ATOM 792 HE22 GLN A 85 8.856 13.110 43.374 1.00 0.00 H ATOM 793 HE21 GLN A 85 9.906 11.663 43.158 1.00 0.00 H ATOM 794 H GLN A 85 9.767 16.365 38.290 1.00 0.00 H ATOM 795 N VAL A 86 6.432 16.450 40.688 1.00 10.66 N ATOM 796 CA VAL A 86 5.993 17.406 41.685 1.00 9.90 C ATOM 797 C VAL A 86 6.510 16.934 43.042 1.00 10.76 C ATOM 798 O VAL A 86 6.411 15.767 43.435 1.00 11.40 O ATOM 799 CB VAL A 86 4.465 17.643 41.632 1.00 10.34 C ATOM 800 CG1 VAL A 86 3.667 16.450 42.181 1.00 9.77 C ATOM 801 CG2 VAL A 86 4.102 18.876 42.385 1.00 10.26 C ATOM 802 H VAL A 86 5.754 15.758 40.310 1.00 0.00 H ATOM 803 N VAL A 87 7.061 17.882 43.784 1.00 10.92 N ATOM 804 CA VAL A 87 7.641 17.658 45.130 1.00 11.15 C ATOM 805 C VAL A 87 6.724 18.154 46.219 1.00 12.11 C ATOM 806 O VAL A 87 6.646 17.507 47.271 1.00 13.71 O ATOM 807 CB VAL A 87 9.026 18.386 45.202 1.00 11.90 C ATOM 808 CG1 VAL A 87 9.612 18.346 46.611 1.00 13.24 C ATOM 809 CG2 VAL A 87 9.966 17.799 44.183 1.00 13.25 C ATOM 810 H VAL A 87 7.089 18.847 43.397 1.00 0.00 H ATOM 811 N GLU A 88 6.089 19.294 46.019 1.00 12.22 N ATOM 812 CA GLU A 88 5.226 19.932 46.982 1.00 13.26 C ATOM 813 C GLU A 88 4.241 20.766 46.243 1.00 12.79 C ATOM 814 O GLU A 88 4.546 21.317 45.167 1.00 13.15 O ATOM 815 CB GLU A 88 6.078 20.824 47.895 1.00 18.29 C ATOM 816 CG GLU A 88 5.486 21.098 49.268 1.00 24.61 C ATOM 817 CD GLU A 88 6.310 22.129 50.079 1.00 29.44 C ATOM 818 OE1 GLU A 88 7.311 22.672 49.501 1.00 31.02 O ATOM 819 OE2 GLU A 88 5.909 22.386 51.258 1.00 32.82 O ATOM 820 H GLU A 88 6.221 19.766 45.101 1.00 0.00 H ATOM 821 N GLY A 89 3.049 20.904 46.805 1.00 13.07 N ATOM 822 CA GLY A 89 2.017 21.738 46.184 1.00 12.22 C ATOM 823 C GLY A 89 1.444 21.056 44.962 1.00 11.46 C ATOM 824 O GLY A 89 1.403 19.837 44.819 1.00 12.57 O ATOM 825 H GLY A 89 2.843 20.414 47.699 1.00 0.00 H ATOM 826 N GLY A 90 0.942 21.886 44.065 1.00 12.79 N ATOM 827 CA GLY A 90 0.383 21.331 42.868 1.00 13.03 C ATOM 828 C GLY A 90 -0.699 20.290 43.123 1.00 12.74 C ATOM 829 O GLY A 90 -1.544 20.446 44.030 1.00 13.79 O ATOM 830 H GLY A 90 0.952 22.914 44.223 1.00 0.00 H ATOM 831 N TYR A 91 -0.691 19.213 42.356 1.00 12.13 N ATOM 832 CA TYR A 91 -1.712 18.198 42.509 1.00 12.21 C ATOM 833 C TYR A 91 -1.594 17.352 43.769 1.00 12.47 C ATOM 834 O TYR A 91 -2.529 16.641 44.114 1.00 12.75 O ATOM 835 CB TYR A 91 -1.787 17.300 41.284 1.00 11.84 C ATOM 836 CG TYR A 91 -2.194 17.995 39.994 1.00 12.13 C ATOM 837 CD1 TYR A 91 -3.312 18.805 39.939 1.00 13.42 C ATOM 838 CD2 TYR A 91 -1.476 17.846 38.819 1.00 12.94 C ATOM 839 CE1 TYR A 91 -3.698 19.455 38.785 1.00 14.05 C ATOM 840 CE2 TYR A 91 -1.842 18.495 37.649 1.00 12.69 C ATOM 841 CZ TYR A 91 -2.965 19.315 37.643 1.00 13.17 C ATOM 842 OH TYR A 91 -3.287 19.964 36.476 1.00 14.95 O ATOM 843 HH TYR A 91 -4.102 20.508 36.616 1.00 0.00 H ATOM 844 H TYR A 91 0.053 19.094 41.639 1.00 0.00 H ATOM 845 N LEU A 92 -0.475 17.478 44.474 1.00 13.03 N ATOM 846 CA LEU A 92 -0.328 16.806 45.786 1.00 13.23 C ATOM 847 C LEU A 92 -1.290 17.377 46.799 1.00 13.88 C ATOM 848 O LEU A 92 -1.566 16.732 47.819 1.00 15.57 O ATOM 849 CB LEU A 92 1.079 16.872 46.308 1.00 13.58 C ATOM 850 CG LEU A 92 2.140 16.288 45.385 1.00 14.17 C ATOM 851 CD1 LEU A 92 3.498 16.527 45.999 1.00 13.86 C ATOM 852 CD2 LEU A 92 1.876 14.811 45.144 1.00 14.73 C ATOM 853 H LEU A 92 0.306 18.055 44.101 1.00 0.00 H ATOM 854 N ASN A 93 -1.859 18.561 46.540 1.00 14.33 N ATOM 855 CA ASN A 93 -2.861 19.164 47.428 1.00 16.75 C ATOM 856 C ASN A 93 -4.274 19.012 46.864 1.00 16.81 C ATOM 857 O ASN A 93 -5.193 19.643 47.363 1.00 19.05 O ATOM 858 CB ASN A 93 -2.538 20.640 47.640 1.00 17.61 C ATOM 859 CG ASN A 93 -1.263 20.862 48.446 1.00 20.78 C ATOM 860 OD1 ASN A 93 -0.539 19.958 48.706 1.00 22.19 O ATOM 861 ND2 ASN A 93 -1.010 22.097 48.844 1.00 21.91 N ATOM 862 HD22 ASN A 93 -1.665 22.867 48.599 1.00 0.00 H ATOM 863 HD21 ASN A 93 -0.156 22.299 49.402 1.00 0.00 H ATOM 864 H ASN A 93 -1.581 19.072 45.678 1.00 0.00 H ATOM 865 N GLN A 94 -4.438 18.181 45.827 1.00 17.30 N ATOM 866 CA GLN A 94 -5.690 18.045 45.097 1.00 18.08 C ATOM 867 C GLN A 94 -6.149 16.628 44.896 1.00 18.17 C ATOM 868 O GLN A 94 -7.090 16.388 44.141 1.00 19.48 O ATOM 869 CB GLN A 94 -5.560 18.760 43.740 1.00 16.76 C ATOM 870 CG GLN A 94 -5.244 20.259 43.914 1.00 17.70 C ATOM 871 CD GLN A 94 -5.116 20.958 42.603 1.00 18.89 C ATOM 872 OE1 GLN A 94 -6.053 20.948 41.815 1.00 20.59 O ATOM 873 NE2 GLN A 94 -3.969 21.570 42.359 1.00 20.75 N ATOM 874 HE22 GLN A 94 -3.206 21.546 43.065 1.00 0.00 H ATOM 875 HE21 GLN A 94 -3.830 22.075 41.461 1.00 0.00 H ATOM 876 H GLN A 94 -3.628 17.602 45.527 1.00 0.00 H ATOM 877 N GLY A 95 -5.526 15.683 45.593 1.00 17.93 N ATOM 878 CA GLY A 95 -5.994 14.330 45.513 1.00 18.82 C ATOM 879 C GLY A 95 -4.999 13.326 45.025 1.00 17.36 C ATOM 880 O GLY A 95 -5.332 12.160 44.992 1.00 17.91 O ATOM 881 H GLY A 95 -4.708 15.922 46.190 1.00 0.00 H ATOM 882 N LEU A 96 -3.803 13.746 44.607 1.00 14.93 N ATOM 883 CA LEU A 96 -2.812 12.787 44.165 1.00 13.77 C ATOM 884 C LEU A 96 -1.710 12.648 45.189 1.00 13.12 C ATOM 885 O LEU A 96 -1.438 13.571 45.970 1.00 14.90 O ATOM 886 CB LEU A 96 -2.196 13.211 42.831 1.00 13.33 C ATOM 887 CG LEU A 96 -3.186 13.323 41.666 1.00 14.26 C ATOM 888 CD1 LEU A 96 -2.439 13.674 40.380 1.00 14.56 C ATOM 889 CD2 LEU A 96 -4.016 12.061 41.489 1.00 16.35 C ATOM 890 H LEU A 96 -3.583 14.762 44.599 1.00 0.00 H ATOM 891 N SER A 97 -1.042 11.491 45.151 1.00 14.16 N ATOM 892 CA SER A 97 0.093 11.172 45.998 1.00 14.55 C ATOM 893 C SER A 97 1.403 11.171 45.205 1.00 13.69 C ATOM 894 O SER A 97 2.478 11.070 45.782 1.00 14.09 O ATOM 895 CB SER A 97 -0.109 9.812 46.634 1.00 16.16 C ATOM 896 OG SER A 97 -0.222 8.816 45.665 1.00 17.89 O ATOM 897 HG SER A 97 -0.353 7.940 46.107 1.00 0.00 H ATOM 898 H SER A 97 -1.356 10.771 44.469 1.00 0.00 H ATOM 899 N TYR A 98 1.289 11.281 43.890 1.00 12.88 N ATOM 900 CA TYR A 98 2.470 11.235 42.998 1.00 11.67 C ATOM 901 C TYR A 98 2.051 11.862 41.668 1.00 10.97 C ATOM 902 O TYR A 98 0.952 11.575 41.188 1.00 12.00 O ATOM 903 CB TYR A 98 2.893 9.798 42.768 1.00 12.77 C ATOM 904 CG TYR A 98 4.064 9.677 41.828 1.00 12.19 C ATOM 905 CD1 TYR A 98 5.352 9.905 42.248 1.00 13.10 C ATOM 906 CD2 TYR A 98 3.928 9.283 40.530 1.00 14.86 C ATOM 907 CE1 TYR A 98 6.411 9.811 41.435 1.00 14.12 C ATOM 908 CE2 TYR A 98 5.001 9.150 39.697 1.00 16.19 C ATOM 909 CZ TYR A 98 6.243 9.424 40.136 1.00 13.87 C ATOM 910 OH TYR A 98 7.310 9.263 39.291 1.00 17.12 O ATOM 911 HH TYR A 98 7.358 8.319 38.998 1.00 0.00 H ATOM 912 H TYR A 98 0.344 11.403 43.473 1.00 0.00 H ATOM 913 N TYR A 99 2.903 12.687 41.085 1.00 10.51 N ATOM 914 CA TYR A 99 2.639 13.205 39.767 1.00 10.49 C ATOM 915 C TYR A 99 3.911 13.572 39.081 1.00 10.64 C ATOM 916 O TYR A 99 4.762 14.233 39.641 1.00 11.17 O ATOM 917 CB TYR A 99 1.720 14.439 39.876 1.00 11.06 C ATOM 918 CG TYR A 99 1.095 14.860 38.557 1.00 11.05 C ATOM 919 CD1 TYR A 99 -0.017 14.234 38.082 1.00 11.68 C ATOM 920 CD2 TYR A 99 1.606 15.929 37.824 1.00 11.47 C ATOM 921 CE1 TYR A 99 -0.635 14.602 36.895 1.00 11.75 C ATOM 922 CE2 TYR A 99 1.015 16.302 36.645 1.00 11.35 C ATOM 923 CZ TYR A 99 -0.111 15.633 36.172 1.00 11.18 C ATOM 924 OH TYR A 99 -0.712 15.968 34.967 1.00 12.34 O ATOM 925 HH TYR A 99 -1.492 15.378 34.813 1.00 0.00 H ATOM 926 H TYR A 99 3.773 12.965 41.583 1.00 0.00 H ATOM 927 N LYS A 100 3.994 13.196 37.807 1.00 9.85 N ATOM 928 CA LYS A 100 5.126 13.545 36.950 1.00 10.11 C ATOM 929 C LYS A 100 4.629 13.764 35.538 1.00 9.75 C ATOM 930 O LYS A 100 3.781 13.039 35.063 1.00 11.05 O ATOM 931 CB LYS A 100 6.177 12.416 36.944 1.00 12.14 C ATOM 932 CG LYS A 100 7.410 12.676 36.091 1.00 13.39 C ATOM 933 CD LYS A 100 8.267 11.448 35.879 1.00 15.33 C ATOM 934 CE LYS A 100 8.998 11.023 37.012 1.00 17.30 C ATOM 935 NZ LYS A 100 9.823 9.842 36.672 1.00 19.00 N ATOM 936 HZ1 LYS A 100 9.205 9.068 36.354 1.00 0.00 H ATOM 937 HZ2 LYS A 100 10.487 10.092 35.911 1.00 0.00 H ATOM 938 HZ3 LYS A 100 10.355 9.539 37.512 1.00 0.00 H ATOM 939 H LYS A 100 3.221 12.630 37.404 1.00 0.00 H ATOM 940 N THR A 101 5.207 14.744 34.864 1.00 9.97 N ATOM 941 CA THR A 101 4.932 15.029 33.459 1.00 10.25 C ATOM 942 C THR A 101 6.210 14.913 32.689 1.00 10.27 C ATOM 943 O THR A 101 7.196 15.591 33.045 1.00 10.98 O ATOM 944 CB THR A 101 4.359 16.455 33.274 1.00 12.34 C ATOM 945 OG1 THR A 101 3.312 16.677 34.224 1.00 13.66 O ATOM 946 CG2 THR A 101 3.878 16.660 31.840 1.00 13.76 C ATOM 947 HG1 THR A 101 3.674 16.583 35.141 1.00 0.00 H ATOM 948 H THR A 101 5.895 15.344 35.362 1.00 0.00 H ATOM 949 N THR A 102 6.199 14.137 31.627 1.00 10.54 N ATOM 950 CA THR A 102 7.361 13.994 30.743 1.00 10.54 C ATOM 951 C THR A 102 6.984 14.442 29.327 1.00 10.96 C ATOM 952 O THR A 102 5.994 13.978 28.787 1.00 12.25 O ATOM 953 CB THR A 102 7.839 12.560 30.700 1.00 12.37 C ATOM 954 OG1 THR A 102 8.109 12.138 32.058 1.00 14.12 O ATOM 955 CG2 THR A 102 9.083 12.450 29.836 1.00 14.09 C ATOM 956 HG1 THR A 102 7.280 12.207 32.595 1.00 0.00 H ATOM 957 H THR A 102 5.334 13.605 31.406 1.00 0.00 H ATOM 958 N PHE A 103 7.762 15.376 28.798 1.00 9.85 N ATOM 959 CA PHE A 103 7.600 15.864 27.411 1.00 11.58 C ATOM 960 C PHE A 103 8.714 15.275 26.594 1.00 11.50 C ATOM 961 O PHE A 103 9.858 15.284 27.001 1.00 12.94 O ATOM 962 CB PHE A 103 7.729 17.379 27.354 1.00 12.27 C ATOM 963 CG PHE A 103 6.741 18.141 28.158 1.00 13.18 C ATOM 964 CD1 PHE A 103 5.529 18.447 27.652 1.00 14.77 C ATOM 965 CD2 PHE A 103 7.024 18.496 29.486 1.00 14.60 C ATOM 966 CE1 PHE A 103 4.616 19.179 28.407 1.00 14.25 C ATOM 967 CE2 PHE A 103 6.097 19.195 30.235 1.00 15.66 C ATOM 968 CZ PHE A 103 4.868 19.516 29.665 1.00 14.71 C ATOM 969 H PHE A 103 8.519 15.783 29.383 1.00 0.00 H ATOM 970 N GLN A 104 8.372 14.795 25.416 1.00 11.16 N ATOM 971 CA GLN A 104 9.340 14.366 24.422 1.00 13.12 C ATOM 972 C GLN A 104 8.989 14.975 23.072 1.00 12.12 C ATOM 973 O GLN A 104 7.884 14.801 22.571 1.00 13.39 O ATOM 974 CB GLN A 104 9.432 12.841 24.325 1.00 16.37 C ATOM 975 CG GLN A 104 10.375 12.355 23.227 1.00 19.91 C ATOM 976 CD GLN A 104 9.903 11.094 22.566 1.00 25.20 C ATOM 977 OE1 GLN A 104 9.831 11.010 21.331 1.00 28.09 O ATOM 978 NE2 GLN A 104 9.540 10.126 23.366 1.00 26.90 N ATOM 979 HE22 GLN A 104 9.620 10.245 24.396 1.00 0.00 H ATOM 980 HE21 GLN A 104 9.171 9.237 22.972 1.00 0.00 H ATOM 981 H GLN A 104 7.360 14.720 25.187 1.00 0.00 H ATOM 982 N PHE A 105 9.943 15.703 22.511 1.00 12.23 N ATOM 983 CA PHE A 105 9.749 16.469 21.301 1.00 12.45 C ATOM 984 C PHE A 105 10.418 15.766 20.143 1.00 13.03 C ATOM 985 O PHE A 105 11.602 15.434 20.235 1.00 14.88 O ATOM 986 CB PHE A 105 10.333 17.867 21.433 1.00 12.78 C ATOM 987 CG PHE A 105 9.722 18.684 22.549 1.00 13.19 C ATOM 988 CD1 PHE A 105 10.248 18.622 23.835 1.00 13.21 C ATOM 989 CD2 PHE A 105 8.640 19.511 22.312 1.00 13.62 C ATOM 990 CE1 PHE A 105 9.667 19.370 24.868 1.00 13.29 C ATOM 991 CE2 PHE A 105 8.066 20.227 23.311 1.00 13.95 C ATOM 992 CZ PHE A 105 8.573 20.161 24.584 1.00 13.77 C ATOM 993 H PHE A 105 10.879 15.724 22.964 1.00 0.00 H ATOM 994 N SER A 106 9.730 15.630 19.016 1.00 14.05 N ATOM 995 CA SER A 106 10.280 14.985 17.827 1.00 16.13 C ATOM 996 C SER A 106 9.959 15.862 16.632 1.00 15.79 C ATOM 997 O SER A 106 8.787 16.239 16.391 1.00 16.68 O ATOM 998 CB SER A 106 9.667 13.624 17.630 1.00 19.40 C ATOM 999 OG SER A 106 10.039 12.743 18.685 1.00 21.54 O ATOM 1000 HG SER A 106 9.725 13.113 19.548 1.00 0.00 H ATOM 1001 H SER A 106 8.758 15.998 18.978 1.00 0.00 H ATOM 1002 N ALA A 107 10.960 16.141 15.808 1.00 16.30 N ATOM 1003 CA ALA A 107 10.705 16.970 14.641 1.00 17.08 C ATOM 1004 C ALA A 107 9.857 16.222 13.618 1.00 17.39 C ATOM 1005 O ALA A 107 10.121 15.048 13.299 1.00 20.95 O ATOM 1006 CB ALA A 107 12.036 17.411 14.014 1.00 18.73 C ATOM 1007 H ALA A 107 11.914 15.772 15.994 1.00 0.00 H ATOM 1008 N ILE A 108 8.845 16.906 13.091 1.00 17.02 N ATOM 1009 CA ILE A 108 8.118 16.395 11.918 1.00 17.32 C ATOM 1010 C ILE A 108 8.685 17.066 10.648 1.00 18.42 C ATOM 1011 O ILE A 108 8.965 16.401 9.647 1.00 20.84 O ATOM 1012 CB ILE A 108 6.661 16.669 12.020 1.00 18.32 C ATOM 1013 CG1 ILE A 108 6.044 15.875 13.184 1.00 19.18 C ATOM 1014 CG2 ILE A 108 5.929 16.308 10.717 1.00 20.15 C ATOM 1015 CD1 ILE A 108 4.661 16.401 13.565 1.00 21.00 C ATOM 1016 H ILE A 108 8.564 17.814 13.514 1.00 0.00 H ATOM 1017 N SER A 109 8.851 18.378 10.685 1.00 18.28 N ATOM 1018 CA SER A 109 9.457 19.148 9.607 1.00 19.01 C ATOM 1019 C SER A 109 10.060 20.372 10.209 1.00 17.58 C ATOM 1020 O SER A 109 10.033 20.508 11.434 1.00 16.81 O ATOM 1021 CB SER A 109 8.430 19.475 8.555 1.00 21.13 C ATOM 1022 OG SER A 109 7.337 20.201 9.089 1.00 22.19 O ATOM 1023 HG SER A 109 7.665 21.051 9.477 1.00 0.00 H ATOM 1024 H SER A 109 8.530 18.889 11.532 1.00 0.00 H ATOM 1025 N GLU A 110 10.587 21.283 9.394 1.00 18.63 N ATOM 1026 CA GLU A 110 11.324 22.394 9.927 1.00 20.56 C ATOM 1027 C GLU A 110 10.560 23.213 10.967 1.00 19.03 C ATOM 1028 O GLU A 110 11.125 23.613 11.969 1.00 20.23 O ATOM 1029 CB GLU A 110 11.740 23.341 8.817 1.00 24.92 C ATOM 1030 CG GLU A 110 12.765 24.343 9.276 1.00 31.78 C ATOM 1031 CD GLU A 110 13.287 25.151 8.130 1.00 37.57 C ATOM 1032 OE1 GLU A 110 13.159 24.676 6.970 1.00 40.01 O ATOM 1033 OE2 GLU A 110 13.802 26.273 8.395 1.00 40.53 O ATOM 1034 H GLU A 110 10.464 21.190 8.366 1.00 0.00 H ATOM 1035 N ASN A 111 9.264 23.425 10.734 1.00 17.99 N ATOM 1036 CA ASN A 111 8.422 24.219 11.602 1.00 18.09 C ATOM 1037 C ASN A 111 7.217 23.479 12.163 1.00 17.36 C ATOM 1038 O ASN A 111 6.229 24.081 12.450 1.00 19.03 O ATOM 1039 CB ASN A 111 8.057 25.521 10.919 1.00 21.95 C ATOM 1040 CG ASN A 111 9.307 26.296 10.503 1.00 26.76 C ATOM 1041 OD1 ASN A 111 10.062 26.737 11.375 1.00 26.74 O ATOM 1042 ND2 ASN A 111 9.591 26.336 9.229 1.00 30.49 N ATOM 1043 HD22 ASN A 111 8.920 25.950 8.534 1.00 0.00 H ATOM 1044 HD21 ASN A 111 10.488 26.753 8.909 1.00 0.00 H ATOM 1045 H ASN A 111 8.838 22.999 9.887 1.00 0.00 H ATOM 1046 N LYS A 112 7.366 22.182 12.358 1.00 15.43 N ATOM 1047 CA LYS A 112 6.284 21.366 12.936 1.00 15.71 C ATOM 1048 C LYS A 112 6.936 20.319 13.799 1.00 13.91 C ATOM 1049 O LYS A 112 7.865 19.644 13.397 1.00 14.79 O ATOM 1050 CB LYS A 112 5.438 20.685 11.863 1.00 18.96 C ATOM 1051 CG LYS A 112 4.170 20.054 12.303 1.00 21.98 C ATOM 1052 CD LYS A 112 3.530 19.331 11.119 1.00 25.42 C ATOM 1053 CE LYS A 112 3.190 20.300 10.051 1.00 29.04 C ATOM 1054 NZ LYS A 112 1.945 20.983 10.506 1.00 32.25 N ATOM 1055 HZ1 LYS A 112 1.191 20.278 10.632 1.00 0.00 H ATOM 1056 HZ2 LYS A 112 2.126 21.464 11.410 1.00 0.00 H ATOM 1057 HZ3 LYS A 112 1.653 21.681 9.792 1.00 0.00 H ATOM 1058 H LYS A 112 8.265 21.727 12.099 1.00 0.00 H ATOM 1059 N THR A 113 6.407 20.165 14.999 1.00 13.50 N ATOM 1060 CA THR A 113 6.997 19.298 15.977 1.00 13.41 C ATOM 1061 C THR A 113 5.899 18.502 16.700 1.00 11.91 C ATOM 1062 O THR A 113 4.871 19.032 17.139 1.00 12.42 O ATOM 1063 CB THR A 113 7.787 20.092 17.043 1.00 14.73 C ATOM 1064 OG1 THR A 113 8.768 20.903 16.415 1.00 14.95 O ATOM 1065 CG2 THR A 113 8.468 19.214 18.085 1.00 14.52 C ATOM 1066 HG1 THR A 113 8.324 21.537 15.798 1.00 0.00 H ATOM 1067 H THR A 113 5.540 20.686 15.241 1.00 0.00 H ATOM 1068 N LEU A 114 6.150 17.221 16.873 1.00 12.71 N ATOM 1069 CA LEU A 114 5.331 16.318 17.647 1.00 12.64 C ATOM 1070 C LEU A 114 5.765 16.366 19.100 1.00 12.00 C ATOM 1071 O LEU A 114 6.954 16.259 19.396 1.00 13.70 O ATOM 1072 CB LEU A 114 5.534 14.885 17.173 1.00 14.96 C ATOM 1073 CG LEU A 114 4.671 13.816 17.848 1.00 16.36 C ATOM 1074 CD1 LEU A 114 3.177 14.068 17.646 1.00 18.68 C ATOM 1075 CD2 LEU A 114 5.094 12.433 17.362 1.00 18.03 C ATOM 1076 H LEU A 114 7.000 16.831 16.419 1.00 0.00 H ATOM 1077 N VAL A 115 4.794 16.487 20.018 1.00 11.95 N ATOM 1078 CA VAL A 115 5.070 16.505 21.439 1.00 11.89 C ATOM 1079 C VAL A 115 4.332 15.351 22.068 1.00 12.20 C ATOM 1080 O VAL A 115 3.095 15.297 22.057 1.00 13.05 O ATOM 1081 CB VAL A 115 4.622 17.814 22.142 1.00 13.11 C ATOM 1082 CG1 VAL A 115 5.139 17.847 23.564 1.00 13.60 C ATOM 1083 CG2 VAL A 115 5.064 19.037 21.336 1.00 15.28 C ATOM 1084 H VAL A 115 3.808 16.571 19.697 1.00 0.00 H ATOM 1085 N ASN A 116 5.067 14.403 22.594 1.00 11.27 N ATOM 1086 CA ASN A 116 4.514 13.337 23.403 1.00 11.94 C ATOM 1087 C ASN A 116 4.465 13.806 24.854 1.00 12.07 C ATOM 1088 O ASN A 116 5.429 14.375 25.356 1.00 13.16 O ATOM 1089 CB ASN A 116 5.424 12.091 23.279 1.00 14.45 C ATOM 1090 CG ASN A 116 5.355 11.443 21.868 1.00 21.05 C ATOM 1091 OD1 ASN A 116 4.326 10.882 21.536 1.00 25.00 O ATOM 1092 ND2 ASN A 116 6.420 11.514 21.057 1.00 25.72 N ATOM 1093 HD22 ASN A 116 7.283 12.001 21.373 1.00 0.00 H ATOM 1094 HD21 ASN A 116 6.383 11.082 20.112 1.00 0.00 H ATOM 1095 H ASN A 116 6.093 14.417 22.423 1.00 0.00 H ATOM 1096 N VAL A 117 3.326 13.572 25.468 1.00 11.92 N ATOM 1097 CA VAL A 117 3.071 13.940 26.841 1.00 12.26 C ATOM 1098 C VAL A 117 2.759 12.677 27.619 1.00 12.23 C ATOM 1099 O VAL A 117 1.784 12.014 27.323 1.00 13.84 O ATOM 1100 CB VAL A 117 1.949 14.976 27.019 1.00 13.57 C ATOM 1101 CG1 VAL A 117 1.677 15.222 28.454 1.00 14.93 C ATOM 1102 CG2 VAL A 117 2.285 16.247 26.254 1.00 14.78 C ATOM 1103 H VAL A 117 2.569 13.097 24.937 1.00 0.00 H ATOM 1104 N LYS A 118 3.581 12.362 28.603 1.00 11.37 N ATOM 1105 CA LYS A 118 3.344 11.209 29.476 1.00 11.07 C ATOM 1106 C LYS A 118 3.113 11.708 30.901 1.00 11.29 C ATOM 1107 O LYS A 118 3.917 12.477 31.442 1.00 13.17 O ATOM 1108 CB LYS A 118 4.566 10.298 29.481 1.00 13.60 C ATOM 1109 CG LYS A 118 4.393 9.045 30.320 1.00 15.75 C ATOM 1110 CD LYS A 118 5.647 8.215 30.424 1.00 19.82 C ATOM 1111 CE LYS A 118 6.121 7.723 29.146 1.00 24.70 C ATOM 1112 NZ LYS A 118 5.116 6.873 28.434 1.00 28.41 N ATOM 1113 HZ1 LYS A 118 4.882 6.048 29.023 1.00 0.00 H ATOM 1114 HZ2 LYS A 118 4.255 7.430 28.258 1.00 0.00 H ATOM 1115 HZ3 LYS A 118 5.514 6.553 27.528 1.00 0.00 H ATOM 1116 H LYS A 118 4.423 12.951 28.764 1.00 0.00 H ATOM 1117 N ILE A 119 1.995 11.306 31.463 1.00 11.32 N ATOM 1118 CA ILE A 119 1.615 11.703 32.807 1.00 11.02 C ATOM 1119 C ILE A 119 1.618 10.456 33.654 1.00 10.93 C ATOM 1120 O ILE A 119 0.943 9.466 33.354 1.00 12.83 O ATOM 1121 CB ILE A 119 0.253 12.381 32.829 1.00 12.30 C ATOM 1122 CG1 ILE A 119 0.405 13.800 32.127 1.00 14.40 C ATOM 1123 CG2 ILE A 119 -0.263 12.551 34.208 1.00 12.87 C ATOM 1124 CD1 ILE A 119 -0.856 14.364 31.692 1.00 16.83 C ATOM 1125 H ILE A 119 1.360 10.681 30.926 1.00 0.00 H ATOM 1126 N SER A 120 2.435 10.466 34.703 1.00 10.74 N ATOM 1127 CA SER A 120 2.563 9.367 35.644 1.00 11.89 C ATOM 1128 C SER A 120 1.991 9.825 36.981 1.00 12.10 C ATOM 1129 O SER A 120 2.267 10.933 37.405 1.00 12.81 O ATOM 1130 CB SER A 120 4.041 8.971 35.788 1.00 14.62 C ATOM 1131 OG SER A 120 4.679 8.791 34.551 1.00 17.04 O ATOM 1132 HG SER A 120 4.640 9.635 34.035 1.00 0.00 H ATOM 1133 H SER A 120 3.018 11.313 34.859 1.00 0.00 H ATOM 1134 N TYR A 121 1.157 9.008 37.621 1.00 12.19 N ATOM 1135 CA TYR A 121 0.423 9.496 38.763 1.00 12.57 C ATOM 1136 C TYR A 121 -0.016 8.384 39.695 1.00 13.73 C ATOM 1137 O TYR A 121 -0.038 7.211 39.299 1.00 14.98 O ATOM 1138 CB TYR A 121 -0.810 10.321 38.295 1.00 13.84 C ATOM 1139 CG TYR A 121 -1.833 9.487 37.580 1.00 14.05 C ATOM 1140 CD1 TYR A 121 -1.669 9.149 36.258 1.00 14.37 C ATOM 1141 CD2 TYR A 121 -2.964 9.012 38.216 1.00 14.93 C ATOM 1142 CE1 TYR A 121 -2.584 8.346 35.601 1.00 15.03 C ATOM 1143 CE2 TYR A 121 -3.890 8.247 37.548 1.00 16.25 C ATOM 1144 CZ TYR A 121 -3.692 7.917 36.240 1.00 16.34 C ATOM 1145 OH TYR A 121 -4.593 7.152 35.583 1.00 18.39 O ATOM 1146 HH TYR A 121 -5.472 7.608 35.581 1.00 0.00 H ATOM 1147 H TYR A 121 1.036 8.026 37.300 1.00 0.00 H ATOM 1148 N ASP A 122 -0.396 8.748 40.913 1.00 14.27 N ATOM 1149 CA ASP A 122 -0.973 7.790 41.873 1.00 14.60 C ATOM 1150 C ASP A 122 -1.782 8.583 42.848 1.00 15.24 C ATOM 1151 O ASP A 122 -1.693 9.799 42.921 1.00 15.06 O ATOM 1152 CB ASP A 122 0.116 6.965 42.583 1.00 16.08 C ATOM 1153 CG ASP A 122 -0.388 5.703 43.155 1.00 19.73 C ATOM 1154 OD1 ASP A 122 -1.542 5.300 42.963 1.00 19.22 O ATOM 1155 OD2 ASP A 122 0.404 5.090 43.861 1.00 24.50 O ATOM 1156 H ASP A 122 -0.283 9.741 41.200 1.00 0.00 H ATOM 1157 N HIS A 123 -2.618 7.864 43.588 1.00 16.78 N ATOM 1158 CA HIS A 123 -3.516 8.468 44.570 1.00 18.00 C ATOM 1159 C HIS A 123 -3.780 7.467 45.667 1.00 21.00 C ATOM 1160 O HIS A 123 -3.839 6.266 45.415 1.00 21.19 O ATOM 1161 CB HIS A 123 -4.849 8.907 43.935 1.00 18.70 C ATOM 1162 CG HIS A 123 -5.491 7.858 43.103 1.00 19.33 C ATOM 1163 ND1 HIS A 123 -6.429 6.991 43.608 1.00 20.72 N ATOM 1164 CD2 HIS A 123 -5.332 7.537 41.802 1.00 20.45 C ATOM 1165 CE1 HIS A 123 -6.837 6.194 42.633 1.00 20.64 C ATOM 1166 NE2 HIS A 123 -6.155 6.480 41.537 1.00 20.80 N ATOM 1167 H HIS A 123 -2.634 6.832 43.464 1.00 0.00 H ATOM 1168 N GLU A 124 -3.966 7.963 46.886 1.00 22.44 N ATOM 1169 CA GLU A 124 -4.288 7.098 48.022 1.00 25.39 C ATOM 1170 C GLU A 124 -5.731 6.666 48.039 1.00 27.14 C ATOM 1171 O GLU A 124 -6.023 5.590 48.536 1.00 27.88 O ATOM 1172 CB GLU A 124 -3.943 7.864 49.289 1.00 27.78 C ATOM 1173 CG GLU A 124 -2.536 7.646 49.814 1.00 29.34 C ATOM 1174 CD GLU A 124 -2.402 8.099 51.264 1.00 30.86 C ATOM 1175 OE1 GLU A 124 -3.157 9.012 51.675 1.00 31.09 O ATOM 1176 OE2 GLU A 124 -1.566 7.531 52.001 1.00 32.03 O ATOM 1177 H GLU A 124 -3.881 8.989 47.036 1.00 0.00 H ATOM 1178 N SER A 125 -6.637 7.512 47.567 1.00 26.32 N ATOM 1179 CA SER A 125 -8.046 7.190 47.628 1.00 27.73 C ATOM 1180 C SER A 125 -8.351 5.966 46.786 1.00 28.32 C ATOM 1181 O SER A 125 -7.668 5.717 45.789 1.00 28.60 O ATOM 1182 CB SER A 125 -8.857 8.376 47.147 1.00 28.40 C ATOM 1183 OG SER A 125 -8.529 8.679 45.824 1.00 28.71 O ATOM 1184 HG SER A 125 -8.725 7.897 45.249 1.00 0.00 H ATOM 1185 H SER A 125 -6.332 8.414 47.150 1.00 0.00 H ATOM 1186 N GLU A 126 -9.364 5.191 47.185 1.00 29.08 N ATOM 1187 CA GLU A 126 -9.720 4.062 46.349 1.00 30.03 C ATOM 1188 C GLU A 126 -10.111 4.502 44.933 1.00 29.64 C ATOM 1189 O GLU A 126 -9.679 3.890 43.952 1.00 31.45 O ATOM 1190 CB GLU A 126 -10.842 3.245 46.980 1.00 32.10 C ATOM 1191 CG GLU A 126 -11.226 2.014 46.168 1.00 35.04 C ATOM 1192 CD GLU A 126 -10.073 1.034 45.949 1.00 37.15 C ATOM 1193 OE1 GLU A 126 -9.061 1.073 46.692 1.00 37.81 O ATOM 1194 OE2 GLU A 126 -10.202 0.206 45.024 1.00 38.27 O ATOM 1195 H GLU A 126 -9.879 5.391 48.066 1.00 0.00 H ATOM 1196 N LEU A 127 -10.908 5.557 44.838 1.00 27.85 N ATOM 1197 CA LEU A 127 -11.288 6.164 43.559 1.00 27.93 C ATOM 1198 C LEU A 127 -10.671 7.531 43.407 1.00 25.55 C ATOM 1199 O LEU A 127 -10.641 8.339 44.344 1.00 26.49 O ATOM 1200 CB LEU A 127 -12.806 6.279 43.447 1.00 30.14 C ATOM 1201 CG LEU A 127 -13.559 4.975 43.592 1.00 32.34 C ATOM 1202 CD1 LEU A 127 -15.068 5.253 43.596 1.00 33.15 C ATOM 1203 CD2 LEU A 127 -13.168 4.012 42.473 1.00 32.96 C ATOM 1204 H LEU A 127 -11.282 5.975 45.714 1.00 0.00 H ATOM 1205 N ILE A 128 -10.118 7.764 42.225 1.00 23.47 N ATOM 1206 CA ILE A 128 -9.484 9.040 41.932 1.00 22.26 C ATOM 1207 C ILE A 128 -10.479 10.190 41.953 1.00 23.01 C ATOM 1208 O ILE A 128 -11.614 10.050 41.490 1.00 25.06 O ATOM 1209 CB ILE A 128 -8.719 8.967 40.570 1.00 20.18 C ATOM 1210 CG1 ILE A 128 -7.822 10.183 40.378 1.00 19.59 C ATOM 1211 CG2 ILE A 128 -9.648 8.786 39.381 1.00 20.92 C ATOM 1212 CD1 ILE A 128 -6.759 9.998 39.321 1.00 19.41 C ATOM 1213 H ILE A 128 -10.138 7.023 41.496 1.00 0.00 H ATOM 1214 N GLU A 129 -10.075 11.327 42.517 1.00 22.35 N ATOM 1215 CA GLU A 129 -10.859 12.548 42.419 1.00 22.70 C ATOM 1216 C GLU A 129 -10.939 13.061 41.003 1.00 22.66 C ATOM 1217 O GLU A 129 -9.986 12.978 40.267 1.00 20.57 O ATOM 1218 CB GLU A 129 -10.298 13.625 43.307 1.00 24.46 C ATOM 1219 CG GLU A 129 -10.494 13.293 44.775 1.00 25.94 C ATOM 1220 CD GLU A 129 -10.157 14.448 45.639 1.00 29.35 C ATOM 1221 OE1 GLU A 129 -10.657 15.554 45.348 1.00 32.12 O ATOM 1222 OE2 GLU A 129 -9.414 14.266 46.613 1.00 30.82 O ATOM 1223 H GLU A 129 -9.176 11.342 43.041 1.00 0.00 H ATOM 1224 N GLU A 130 -12.110 13.575 40.614 1.00 25.88 N ATOM 1225 CA GLU A 130 -12.356 13.980 39.226 1.00 27.10 C ATOM 1226 C GLU A 130 -11.378 15.009 38.683 1.00 25.23 C ATOM 1227 O GLU A 130 -10.895 14.873 37.548 1.00 25.16 O ATOM 1228 CB GLU A 130 -13.791 14.517 39.097 1.00 31.63 C ATOM 1229 CG GLU A 130 -14.851 13.442 39.249 1.00 37.01 C ATOM 1230 CD GLU A 130 -14.793 12.378 38.141 1.00 40.96 C ATOM 1231 OE1 GLU A 130 -14.480 12.728 36.959 1.00 41.55 O ATOM 1232 OE2 GLU A 130 -15.056 11.188 38.513 1.00 43.10 O ATOM 1233 H GLU A 130 -12.869 13.691 41.316 1.00 0.00 H ATOM 1234 N LYS A 131 -11.024 16.014 39.480 1.00 25.33 N ATOM 1235 CA LYS A 131 -10.218 17.106 38.970 1.00 27.58 C ATOM 1236 C LYS A 131 -8.789 16.700 38.723 1.00 23.26 C ATOM 1237 O LYS A 131 -8.069 17.417 38.034 1.00 24.82 O ATOM 1238 CB LYS A 131 -10.278 18.328 39.889 1.00 32.30 C ATOM 1239 CG LYS A 131 -9.302 18.322 41.037 1.00 36.40 C ATOM 1240 CD LYS A 131 -9.734 19.260 42.206 1.00 38.91 C ATOM 1241 CE LYS A 131 -9.187 18.793 43.542 1.00 40.04 C ATOM 1242 NZ LYS A 131 -9.527 17.377 43.885 1.00 40.75 N ATOM 1243 HZ1 LYS A 131 -10.561 17.270 43.924 1.00 0.00 H ATOM 1244 HZ2 LYS A 131 -9.139 16.743 43.158 1.00 0.00 H ATOM 1245 HZ3 LYS A 131 -9.117 17.138 44.810 1.00 0.00 H ATOM 1246 H LYS A 131 -11.327 16.016 40.475 1.00 0.00 H ATOM 1247 N VAL A 132 -8.359 15.540 39.227 1.00 18.37 N ATOM 1248 CA VAL A 132 -6.977 15.093 39.007 1.00 16.77 C ATOM 1249 C VAL A 132 -6.884 13.843 38.171 1.00 14.53 C ATOM 1250 O VAL A 132 -5.824 13.259 38.082 1.00 14.39 O ATOM 1251 CB VAL A 132 -6.151 14.948 40.347 1.00 16.16 C ATOM 1252 CG1 VAL A 132 -5.867 16.343 40.961 1.00 18.44 C ATOM 1253 CG2 VAL A 132 -6.895 14.063 41.344 1.00 16.28 C ATOM 1254 H VAL A 132 -9.009 14.947 39.781 1.00 0.00 H ATOM 1255 N LYS A 133 -7.968 13.461 37.491 1.00 13.98 N ATOM 1256 CA LYS A 133 -7.810 12.428 36.461 1.00 13.07 C ATOM 1257 C LYS A 133 -6.877 12.921 35.367 1.00 11.83 C ATOM 1258 O LYS A 133 -6.880 14.099 35.071 1.00 11.55 O ATOM 1259 CB LYS A 133 -9.159 12.117 35.831 1.00 14.79 C ATOM 1260 CG LYS A 133 -10.127 11.358 36.766 1.00 16.70 C ATOM 1261 CD LYS A 133 -11.458 11.107 36.094 1.00 19.21 C ATOM 1262 CE LYS A 133 -12.297 10.222 36.867 1.00 21.76 C ATOM 1263 NZ LYS A 133 -13.585 10.010 36.125 1.00 24.68 N ATOM 1264 HZ1 LYS A 133 -14.062 10.925 35.993 1.00 0.00 H ATOM 1265 HZ2 LYS A 133 -13.383 9.586 35.197 1.00 0.00 H ATOM 1266 HZ3 LYS A 133 -14.198 9.373 36.673 1.00 0.00 H ATOM 1267 H LYS A 133 -8.898 13.884 37.686 1.00 0.00 H ATOM 1268 N PRO A 134 -6.068 12.055 34.763 1.00 11.55 N ATOM 1269 CA PRO A 134 -5.117 12.536 33.746 1.00 11.65 C ATOM 1270 C PRO A 134 -5.793 13.034 32.493 1.00 11.38 C ATOM 1271 O PRO A 134 -5.210 13.820 31.770 1.00 11.62 O ATOM 1272 CB PRO A 134 -4.223 11.326 33.525 1.00 12.07 C ATOM 1273 CG PRO A 134 -5.155 10.159 33.788 1.00 12.93 C ATOM 1274 CD PRO A 134 -5.894 10.631 35.024 1.00 12.34 C ATOM 1275 N THR A 135 -7.009 12.575 32.227 1.00 11.53 N ATOM 1276 CA THR A 135 -7.804 13.128 31.156 1.00 11.60 C ATOM 1277 C THR A 135 -8.096 14.623 31.369 1.00 12.36 C ATOM 1278 O THR A 135 -8.161 15.387 30.409 1.00 13.06 O ATOM 1279 CB THR A 135 -9.132 12.361 31.020 1.00 13.22 C ATOM 1280 OG1 THR A 135 -9.596 12.009 32.328 1.00 14.41 O ATOM 1281 CG2 THR A 135 -8.885 11.068 30.264 1.00 14.00 C ATOM 1282 HG1 THR A 135 -8.921 11.437 32.773 1.00 0.00 H ATOM 1283 H THR A 135 -7.398 11.801 32.802 1.00 0.00 H ATOM 1284 N LYS A 136 -8.196 15.033 32.638 1.00 12.16 N ATOM 1285 CA LYS A 136 -8.357 16.429 32.981 1.00 13.57 C ATOM 1286 C LYS A 136 -7.036 17.155 33.122 1.00 12.50 C ATOM 1287 O LYS A 136 -6.879 18.266 32.593 1.00 12.73 O ATOM 1288 CB LYS A 136 -9.172 16.567 34.275 1.00 13.81 C ATOM 1289 CG LYS A 136 -9.452 17.991 34.647 1.00 16.44 C ATOM 1290 CD LYS A 136 -10.331 18.678 33.583 1.00 19.61 C ATOM 1291 CE LYS A 136 -10.833 19.973 34.039 1.00 22.34 C ATOM 1292 NZ LYS A 136 -11.616 20.597 32.980 1.00 22.87 N ATOM 1293 HZ1 LYS A 136 -11.016 20.735 32.142 1.00 0.00 H ATOM 1294 HZ2 LYS A 136 -12.418 19.982 32.736 1.00 0.00 H ATOM 1295 HZ3 LYS A 136 -11.971 21.518 33.309 1.00 0.00 H ATOM 1296 H LYS A 136 -8.157 14.327 33.401 1.00 0.00 H ATOM 1297 N THR A 137 -6.055 16.598 33.840 1.00 11.65 N ATOM 1298 CA THR A 137 -4.808 17.330 33.999 1.00 11.84 C ATOM 1299 C THR A 137 -4.097 17.504 32.658 1.00 11.22 C ATOM 1300 O THR A 137 -3.476 18.517 32.400 1.00 12.52 O ATOM 1301 CB THR A 137 -3.872 16.654 35.022 1.00 12.34 C ATOM 1302 OG1 THR A 137 -3.416 15.399 34.490 1.00 12.24 O ATOM 1303 CG2 THR A 137 -4.559 16.494 36.369 1.00 12.67 C ATOM 1304 HG1 THR A 137 -2.815 14.963 35.145 1.00 0.00 H ATOM 1305 H THR A 137 -6.181 15.662 34.275 1.00 0.00 H ATOM 1306 N SER A 138 -4.249 16.559 31.743 1.00 11.05 N ATOM 1307 CA SER A 138 -3.645 16.700 30.421 1.00 11.80 C ATOM 1308 C SER A 138 -4.280 17.837 29.612 1.00 11.50 C ATOM 1309 O SER A 138 -3.621 18.424 28.735 1.00 11.85 O ATOM 1310 CB SER A 138 -3.661 15.386 29.647 1.00 12.63 C ATOM 1311 OG SER A 138 -4.915 15.063 29.196 1.00 13.61 O ATOM 1312 HG SER A 138 -5.529 14.973 29.968 1.00 0.00 H ATOM 1313 H SER A 138 -4.804 15.709 31.968 1.00 0.00 H ATOM 1314 N GLU A 139 -5.527 18.164 29.911 1.00 11.33 N ATOM 1315 CA GLU A 139 -6.169 19.306 29.254 1.00 12.06 C ATOM 1316 C GLU A 139 -5.399 20.579 29.568 1.00 11.93 C ATOM 1317 O GLU A 139 -5.191 21.424 28.687 1.00 12.40 O ATOM 1318 CB GLU A 139 -7.626 19.425 29.696 1.00 12.23 C ATOM 1319 CG GLU A 139 -8.352 20.568 29.032 1.00 13.10 C ATOM 1320 CD GLU A 139 -9.686 20.871 29.694 1.00 14.51 C ATOM 1321 OE1 GLU A 139 -9.709 21.052 30.922 1.00 17.32 O ATOM 1322 OE2 GLU A 139 -10.741 20.949 29.027 1.00 15.71 O ATOM 1323 H GLU A 139 -6.054 17.608 30.615 1.00 0.00 H ATOM 1324 N SER A 140 -4.964 20.748 30.832 1.00 11.29 N ATOM 1325 CA SER A 140 -4.167 21.904 31.194 1.00 11.62 C ATOM 1326 C SER A 140 -2.825 21.891 30.510 1.00 10.62 C ATOM 1327 O SER A 140 -2.358 22.943 30.087 1.00 10.97 O ATOM 1328 CB SER A 140 -4.031 21.950 32.727 1.00 13.56 C ATOM 1329 OG SER A 140 -5.281 22.191 33.312 1.00 17.98 O ATOM 1330 HG SER A 140 -5.907 21.466 33.062 1.00 0.00 H ATOM 1331 H SER A 140 -5.203 20.041 31.556 1.00 0.00 H ATOM 1332 N THR A 141 -2.178 20.750 30.429 1.00 10.27 N ATOM 1333 CA THR A 141 -0.915 20.653 29.727 1.00 10.67 C ATOM 1334 C THR A 141 -1.061 21.053 28.273 1.00 10.53 C ATOM 1335 O THR A 141 -0.219 21.777 27.752 1.00 10.95 O ATOM 1336 CB THR A 141 -0.361 19.229 29.826 1.00 10.61 C ATOM 1337 OG1 THR A 141 -0.236 18.886 31.220 1.00 11.77 O ATOM 1338 CG2 THR A 141 1.005 19.126 29.188 1.00 11.59 C ATOM 1339 HG1 THR A 141 0.382 19.522 31.661 1.00 0.00 H ATOM 1340 H THR A 141 -2.580 19.902 30.877 1.00 0.00 H ATOM 1341 N LEU A 142 -2.139 20.598 27.631 1.00 10.68 N ATOM 1342 CA LEU A 142 -2.387 20.958 26.233 1.00 11.18 C ATOM 1343 C LEU A 142 -2.725 22.434 26.073 1.00 11.21 C ATOM 1344 O LEU A 142 -2.282 23.056 25.088 1.00 12.61 O ATOM 1345 CB LEU A 142 -3.501 20.059 25.702 1.00 12.01 C ATOM 1346 CG LEU A 142 -3.106 18.596 25.502 1.00 12.62 C ATOM 1347 CD1 LEU A 142 -4.308 17.717 25.469 1.00 14.11 C ATOM 1348 CD2 LEU A 142 -2.228 18.379 24.294 1.00 15.61 C ATOM 1349 H LEU A 142 -2.811 19.980 28.129 1.00 0.00 H ATOM 1350 N PHE A 143 -3.457 23.004 27.012 1.00 11.48 N ATOM 1351 CA PHE A 143 -3.677 24.442 27.022 1.00 11.93 C ATOM 1352 C PHE A 143 -2.343 25.171 27.020 1.00 12.22 C ATOM 1353 O PHE A 143 -2.079 26.063 26.207 1.00 12.15 O ATOM 1354 CB PHE A 143 -4.495 24.862 28.255 1.00 13.64 C ATOM 1355 CG PHE A 143 -4.591 26.362 28.405 1.00 14.64 C ATOM 1356 CD1 PHE A 143 -5.444 27.080 27.635 1.00 15.94 C ATOM 1357 CD2 PHE A 143 -3.809 27.074 29.327 1.00 17.05 C ATOM 1358 CE1 PHE A 143 -5.508 28.480 27.707 1.00 16.76 C ATOM 1359 CE2 PHE A 143 -3.901 28.472 29.446 1.00 18.18 C ATOM 1360 CZ PHE A 143 -4.762 29.153 28.649 1.00 17.18 C ATOM 1361 H PHE A 143 -3.883 22.416 27.756 1.00 0.00 H ATOM 1362 N TYR A 144 -1.472 24.766 27.948 1.00 11.98 N ATOM 1363 CA TYR A 144 -0.139 25.349 28.028 1.00 11.02 C ATOM 1364 C TYR A 144 0.649 25.206 26.726 1.00 11.17 C ATOM 1365 O TYR A 144 1.225 26.190 26.258 1.00 11.64 O ATOM 1366 CB TYR A 144 0.607 24.750 29.231 1.00 11.99 C ATOM 1367 CG TYR A 144 2.092 24.864 29.181 1.00 12.71 C ATOM 1368 CD1 TYR A 144 2.721 26.115 29.197 1.00 14.35 C ATOM 1369 CD2 TYR A 144 2.886 23.731 29.045 1.00 14.31 C ATOM 1370 CE1 TYR A 144 4.106 26.200 29.125 1.00 15.59 C ATOM 1371 CE2 TYR A 144 4.265 23.809 28.945 1.00 15.92 C ATOM 1372 CZ TYR A 144 4.869 25.061 28.987 1.00 16.91 C ATOM 1373 OH TYR A 144 6.234 25.155 28.900 1.00 19.32 O ATOM 1374 HH TYR A 144 6.502 26.107 28.945 1.00 0.00 H ATOM 1375 H TYR A 144 -1.749 24.025 28.623 1.00 0.00 H ATOM 1376 N LEU A 145 0.695 24.006 26.164 1.00 10.27 N ATOM 1377 CA LEU A 145 1.442 23.794 24.938 1.00 10.72 C ATOM 1378 C LEU A 145 0.903 24.618 23.790 1.00 10.61 C ATOM 1379 O LEU A 145 1.712 25.178 22.999 1.00 11.53 O ATOM 1380 CB LEU A 145 1.510 22.296 24.612 1.00 11.56 C ATOM 1381 CG LEU A 145 2.392 21.458 25.537 1.00 10.97 C ATOM 1382 CD1 LEU A 145 2.142 19.994 25.242 1.00 12.39 C ATOM 1383 CD2 LEU A 145 3.862 21.788 25.398 1.00 12.47 C ATOM 1384 H LEU A 145 0.192 23.210 26.605 1.00 0.00 H ATOM 1385 N GLY A 146 -0.414 24.785 23.701 1.00 11.17 N ATOM 1386 CA GLY A 146 -0.934 25.661 22.675 1.00 11.65 C ATOM 1387 C GLY A 146 -0.559 27.136 22.883 1.00 12.03 C ATOM 1388 O GLY A 146 -0.270 27.871 21.940 1.00 13.59 O ATOM 1389 H GLY A 146 -1.056 24.295 24.356 1.00 0.00 H ATOM 1390 N GLN A 147 -0.542 27.561 24.131 1.00 12.72 N ATOM 1391 CA GLN A 147 -0.114 28.915 24.449 1.00 13.22 C ATOM 1392 C GLN A 147 1.398 29.103 24.224 1.00 13.44 C ATOM 1393 O GLN A 147 1.832 30.187 23.821 1.00 14.12 O ATOM 1394 CB GLN A 147 -0.497 29.299 25.855 1.00 14.68 C ATOM 1395 CG GLN A 147 -1.978 29.394 26.091 1.00 15.97 C ATOM 1396 CD GLN A 147 -2.665 30.308 25.130 1.00 17.78 C ATOM 1397 OE1 GLN A 147 -3.395 29.884 24.188 1.00 19.74 O ATOM 1398 NE2 GLN A 147 -2.427 31.567 25.324 1.00 18.38 N ATOM 1399 HE22 GLN A 147 -1.819 31.866 26.113 1.00 0.00 H ATOM 1400 HE21 GLN A 147 -2.844 32.279 24.690 1.00 0.00 H ATOM 1401 H GLN A 147 -0.838 26.922 24.896 1.00 0.00 H ATOM 1402 N LEU A 148 2.166 28.040 24.440 1.00 12.49 N ATOM 1403 CA LEU A 148 3.574 28.079 24.136 1.00 12.08 C ATOM 1404 C LEU A 148 3.810 28.247 22.627 1.00 13.24 C ATOM 1405 O LEU A 148 4.644 29.076 22.199 1.00 13.24 O ATOM 1406 CB LEU A 148 4.239 26.828 24.671 1.00 12.93 C ATOM 1407 CG LEU A 148 5.715 26.690 24.349 1.00 13.16 C ATOM 1408 CD1 LEU A 148 6.550 27.871 24.933 1.00 13.98 C ATOM 1409 CD2 LEU A 148 6.188 25.374 24.873 1.00 13.90 C ATOM 1410 H LEU A 148 1.747 27.172 24.832 1.00 0.00 H ATOM 1411 N GLU A 149 3.075 27.522 21.828 1.00 12.60 N ATOM 1412 CA GLU A 149 3.106 27.681 20.386 1.00 13.29 C ATOM 1413 C GLU A 149 2.792 29.127 19.989 1.00 13.95 C ATOM 1414 O GLU A 149 3.509 29.725 19.216 1.00 15.60 O ATOM 1415 CB GLU A 149 2.100 26.731 19.746 1.00 13.77 C ATOM 1416 CG GLU A 149 2.017 26.790 18.249 1.00 16.55 C ATOM 1417 CD GLU A 149 0.842 26.016 17.718 1.00 18.93 C ATOM 1418 OE1 GLU A 149 -0.249 26.132 18.283 1.00 23.74 O ATOM 1419 OE2 GLU A 149 1.016 25.294 16.767 1.00 17.31 O ATOM 1420 H GLU A 149 2.445 26.805 22.240 1.00 0.00 H ATOM 1421 N LYS A 150 1.735 29.673 20.551 1.00 14.60 N ATOM 1422 CA LYS A 150 1.326 31.033 20.234 1.00 16.72 C ATOM 1423 C LYS A 150 2.450 32.032 20.609 1.00 17.12 C ATOM 1424 O LYS A 150 2.754 32.972 19.882 1.00 19.75 O ATOM 1425 CB LYS A 150 0.044 31.336 21.013 1.00 19.26 C ATOM 1426 CG LYS A 150 -0.535 32.746 20.778 1.00 22.65 C ATOM 1427 CD LYS A 150 -1.849 33.019 21.512 1.00 25.72 C ATOM 1428 CE LYS A 150 -2.238 34.500 21.332 1.00 27.76 C ATOM 1429 NZ LYS A 150 -2.604 34.851 19.928 1.00 29.70 N ATOM 1430 HZ1 LYS A 150 -1.795 34.662 19.303 1.00 0.00 H ATOM 1431 HZ2 LYS A 150 -3.417 34.276 19.629 1.00 0.00 H ATOM 1432 HZ3 LYS A 150 -2.854 35.859 19.878 1.00 0.00 H ATOM 1433 H LYS A 150 1.180 29.121 21.236 1.00 0.00 H ATOM 1434 N PHE A 151 3.044 31.839 21.788 1.00 15.81 N ATOM 1435 CA PHE A 151 4.140 32.709 22.241 1.00 16.70 C ATOM 1436 C PHE A 151 5.367 32.659 21.326 1.00 17.56 C ATOM 1437 O PHE A 151 5.912 33.668 20.926 1.00 18.95 O ATOM 1438 CB PHE A 151 4.508 32.330 23.666 1.00 17.98 C ATOM 1439 CG PHE A 151 5.749 33.020 24.137 1.00 18.96 C ATOM 1440 CD1 PHE A 151 5.725 34.342 24.460 1.00 20.42 C ATOM 1441 CD2 PHE A 151 6.965 32.343 24.191 1.00 19.09 C ATOM 1442 CE1 PHE A 151 6.883 34.974 24.865 1.00 22.05 C ATOM 1443 CE2 PHE A 151 8.113 32.998 24.615 1.00 20.37 C ATOM 1444 CZ PHE A 151 8.061 34.316 24.926 1.00 21.76 C ATOM 1445 H PHE A 151 2.726 31.059 22.398 1.00 0.00 H ATOM 1446 N LEU A 152 5.761 31.465 20.925 1.00 17.35 N ATOM 1447 CA LEU A 152 6.935 31.287 20.071 1.00 17.82 C ATOM 1448 C LEU A 152 6.750 31.759 18.647 1.00 19.72 C ATOM 1449 O LEU A 152 7.729 32.165 18.017 1.00 20.06 O ATOM 1450 CB LEU A 152 7.379 29.835 20.090 1.00 16.31 C ATOM 1451 CG LEU A 152 7.883 29.324 21.466 1.00 16.55 C ATOM 1452 CD1 LEU A 152 8.133 27.822 21.382 1.00 17.71 C ATOM 1453 CD2 LEU A 152 9.139 30.095 21.875 1.00 17.40 C ATOM 1454 H LEU A 152 5.222 30.628 21.224 1.00 0.00 H ATOM 1455 N LEU A 153 5.524 31.751 18.162 1.00 21.78 N ATOM 1456 CA LEU A 153 5.231 32.200 16.808 1.00 24.24 C ATOM 1457 C LEU A 153 5.000 33.672 16.763 1.00 27.15 C ATOM 1458 O LEU A 153 4.874 34.252 15.671 1.00 27.84 O ATOM 1459 CB LEU A 153 4.026 31.479 16.267 1.00 24.72 C ATOM 1460 CG LEU A 153 4.339 30.034 15.877 1.00 25.06 C ATOM 1461 CD1 LEU A 153 3.065 29.327 15.450 1.00 25.67 C ATOM 1462 CD2 LEU A 153 5.448 29.921 14.765 1.00 26.17 C ATOM 1463 H LEU A 153 4.745 31.415 18.763 1.00 0.00 H ATOM 1464 N ASN A 154 4.964 34.305 17.908 1.00 28.28 N ATOM 1465 CA ASN A 154 5.058 35.738 17.930 1.00 31.58 C ATOM 1466 C ASN A 154 6.471 36.243 18.176 1.00 31.73 C ATOM 1467 O ASN A 154 6.893 37.223 17.547 1.00 34.21 O ATOM 1468 CB ASN A 154 4.136 36.263 18.956 1.00 32.83 C ATOM 1469 CG ASN A 154 4.208 37.728 19.021 1.00 35.93 C ATOM 1470 OD1 ASN A 154 4.918 38.294 19.874 1.00 37.89 O ATOM 1471 ND2 ASN A 154 3.526 38.378 18.097 1.00 37.36 N ATOM 1472 HD22 ASN A 154 2.949 37.852 17.410 1.00 0.00 H ATOM 1473 HD21 ASN A 154 3.565 39.416 18.056 1.00 0.00 H ATOM 1474 H ASN A 154 4.868 33.773 18.797 1.00 0.00 H TER 1475 ASN A 154 HETATM 1476 O HOH 1 5.170 13.283 42.855 1.00 12.79 O HETATM 1477 O HOH 2 -1.815 19.744 34.299 1.00 14.66 O HETATM 1478 O HOH 3 -11.839 13.291 33.006 1.00 15.84 O HETATM 1479 O HOH 4 -3.958 26.910 24.271 1.00 14.41 O HETATM 1480 O HOH 5 1.333 20.479 36.923 1.00 16.45 O HETATM 1481 O HOH 6 5.809 11.167 33.199 1.00 15.05 O HETATM 1482 O HOH 7 1.147 19.322 40.188 1.00 16.60 O HETATM 1483 O HOH 8 0.798 17.538 33.404 1.00 14.02 O HETATM 1484 O HOH 9 4.521 17.425 36.676 1.00 18.11 O HETATM 1485 O HOH 10 8.106 14.000 44.626 1.00 15.45 O HETATM 1486 O HOH 11 10.594 20.553 14.252 1.00 18.61 O HETATM 1487 O HOH 12 11.616 10.393 34.663 1.00 18.06 O HETATM 1488 O HOH 13 -12.448 14.791 35.184 1.00 20.39 O HETATM 1489 O HOH 14 -3.229 7.245 27.333 1.00 18.78 O HETATM 1490 O HOH 15 2.099 19.718 49.237 1.00 18.22 O HETATM 1491 O HOH 16 -1.297 21.721 15.198 1.00 19.77 O HETATM 1492 O HOH 17 19.200 20.793 42.554 1.00 17.92 O HETATM 1493 O HOH 18 -13.417 10.965 33.215 1.00 20.95 O HETATM 1494 O HOH 19 -7.898 22.527 32.193 1.00 23.36 O HETATM 1495 O HOH 20 -6.505 28.278 24.438 1.00 18.81 O HETATM 1496 O HOH 21 6.631 11.685 26.772 1.00 18.75 O HETATM 1497 O HOH 22 12.807 29.203 22.148 1.00 22.39 O HETATM 1498 O HOH 23 3.015 10.604 48.467 1.00 18.80 O HETATM 1499 O HOH 24 22.084 20.163 38.520 1.00 20.91 O HETATM 1500 O HOH 25 13.556 15.052 16.378 1.00 21.84 O HETATM 1501 O HOH 26 7.596 22.812 8.473 1.00 24.69 O HETATM 1502 O HOH 27 -9.197 9.480 33.318 1.00 22.25 O HETATM 1503 O HOH 28 10.104 33.879 36.383 1.00 22.24 O HETATM 1504 O HOH 29 -0.448 15.136 17.653 1.00 18.95 O HETATM 1505 O HOH 30 21.732 17.701 37.157 1.00 21.90 O HETATM 1506 O HOH 31 -7.122 5.603 39.140 1.00 27.07 O HETATM 1507 O HOH 32 17.116 24.214 21.498 1.00 26.81 O HETATM 1508 O HOH 33 20.858 15.301 33.887 1.00 24.55 O HETATM 1509 O HOH 34 0.011 21.178 12.914 1.00 25.28 O HETATM 1510 O HOH 35 -12.650 20.746 27.272 1.00 20.13 O HETATM 1511 O HOH 36 13.056 30.124 24.679 1.00 28.05 O HETATM 1512 O HOH 37 -3.469 12.562 36.700 1.00 20.32 O HETATM 1513 O HOH 38 15.155 28.712 32.991 1.00 28.63 O HETATM 1514 O HOH 39 14.370 23.630 15.074 1.00 29.12 O HETATM 1515 O HOH 40 2.486 7.262 45.536 1.00 24.08 O HETATM 1516 O HOH 41 9.491 36.217 32.407 1.00 28.33 O HETATM 1517 O HOH 42 -1.234 24.375 15.666 1.00 25.01 O HETATM 1518 O HOH 43 -7.824 11.080 44.271 1.00 22.25 O HETATM 1519 O HOH 44 18.289 23.121 30.651 1.00 27.04 O HETATM 1520 O HOH 45 -9.129 8.140 35.740 1.00 26.68 O HETATM 1521 O HOH 46 -2.532 32.621 31.261 1.00 27.35 O HETATM 1522 O HOH 47 13.148 26.009 16.130 1.00 23.37 O HETATM 1523 O HOH 48 -5.853 30.042 45.278 1.00 30.24 O HETATM 1524 O HOH 49 -9.911 5.505 40.286 1.00 29.56 O HETATM 1525 O HOH 50 -3.239 24.129 48.860 1.00 28.39 O HETATM 1526 O HOH 51 15.704 31.417 38.736 1.00 28.61 O HETATM 1527 O HOH 52 -0.785 13.906 48.698 1.00 26.24 O HETATM 1528 O HOH 53 -4.050 15.497 48.011 1.00 33.93 O HETATM 1529 O HOH 54 -1.132 2.737 33.865 1.00 34.34 O HETATM 1530 O HOH 55 16.316 21.940 32.057 1.00 27.79 O HETATM 1531 O HOH 56 -1.733 28.109 19.476 1.00 35.66 O HETATM 1532 O HOH 57 -6.997 6.825 36.719 1.00 27.23 O HETATM 1533 O HOH 58 0.768 15.476 13.446 1.00 31.10 O HETATM 1534 O HOH 59 2.244 36.580 35.385 1.00 33.28 O HETATM 1535 O HOH 60 -0.743 6.618 47.219 1.00 31.28 O HETATM 1536 O HOH 61 -0.001 12.389 16.874 1.00 29.58 O HETATM 1537 O HOH 62 3.001 10.192 23.594 1.00 33.07 O HETATM 1538 O HOH 63 -11.943 8.732 33.046 1.00 28.77 O HETATM 1539 O HOH 64 -7.709 20.064 37.344 1.00 28.00 O HETATM 1540 O HOH 65 8.822 10.033 26.824 1.00 32.87 O HETATM 1541 O HOH 66 -5.173 31.616 22.451 1.00 36.50 O HETATM 1542 O HOH 67 8.064 7.669 37.182 1.00 38.07 O HETATM 1543 O HOH 68 14.539 11.899 18.869 1.00 39.22 O HETATM 1544 O HOH 69 22.455 16.781 32.290 1.00 40.83 O HETATM 1545 O HOH 70 9.546 36.217 35.072 1.00 30.79 O HETATM 1546 O HOH 71 7.669 13.183 20.216 1.00 28.52 O HETATM 1547 O HOH 72 12.268 31.065 20.182 1.00 36.20 O HETATM 1548 O HOH 73 2.943 37.525 28.189 1.00 36.70 O HETATM 1549 O HOH 74 -6.679 31.067 25.226 1.00 29.74 O HETATM 1550 O HOH 75 10.508 10.942 32.377 1.00 30.19 O HETATM 1551 O HOH 76 -4.486 29.698 42.374 1.00 39.39 O HETATM 1552 O HOH 77 5.989 34.825 44.044 1.00 39.89 O HETATM 1553 O HOH 78 15.355 29.566 21.233 1.00 38.17 O HETATM 1554 O HOH 79 -0.869 5.201 28.295 1.00 40.80 O HETATM 1555 O HOH 80 9.300 21.572 49.492 1.00 40.97 O HETATM 1556 O HOH 81 3.462 31.187 45.697 1.00 30.91 O HETATM 1557 O HOH 82 -6.756 21.748 39.301 1.00 29.20 O HETATM 1558 O HOH 83 16.406 9.334 28.152 1.00 29.21 O HETATM 1559 O HOH 84 18.305 9.178 23.775 1.00 34.63 O HETATM 1560 O HOH 85 9.597 31.771 45.244 1.00 36.04 O HETATM 1561 O HOH 86 18.358 23.266 26.462 1.00 40.26 O HETATM 1562 O HOH 87 10.408 8.936 29.213 1.00 36.04 O HETATM 1563 O HOH 88 1.801 33.015 44.511 1.00 33.17 O HETATM 1564 O HOH 89 11.122 20.697 6.667 1.00 37.29 O HETATM 1565 O HOH 90 -5.273 31.591 31.877 1.00 36.19 O HETATM 1566 O HOH 91 -13.218 8.282 40.014 1.00 36.78 O HETATM 1567 O HOH 92 -5.785 20.479 35.700 1.00 35.32 O HETATM 1568 O HOH 93 13.067 22.103 13.155 1.00 50.92 O HETATM 1569 O HOH 94 -0.750 17.515 50.705 1.00 30.95 O HETATM 1570 O HOH 95 7.149 4.924 31.202 1.00 43.89 O HETATM 1571 O HOH 96 21.508 15.270 29.877 1.00 39.43 O HETATM 1572 O HOH 97 -11.367 6.520 36.118 1.00 40.73 O HETATM 1573 O HOH 98 15.161 28.038 16.840 1.00 40.06 O HETATM 1574 O HOH 99 8.580 13.674 9.587 1.00 47.80 O HETATM 1575 O HOH 100 4.448 10.006 25.705 1.00 30.32 O HETATM 1576 O HOH 101 7.817 27.342 28.483 1.00 32.13 O HETATM 1577 O HOH 102 12.795 34.085 37.596 1.00 45.15 O HETATM 1578 O HOH 103 17.544 8.975 21.211 1.00 47.05 O HETATM 1579 O HOH 104 -6.313 32.659 34.782 1.00 38.45 O HETATM 1580 O HOH 105 -5.292 36.537 42.575 1.00 44.41 O HETATM 1581 O HOH 106 1.890 34.708 25.601 1.00 40.30 O HETATM 1582 O HOH 107 12.417 32.839 24.443 1.00 45.86 O HETATM 1583 O HOH 108 22.935 24.846 41.881 1.00 33.95 O HETATM 1584 O HOH 109 -5.353 6.679 32.374 1.00 36.94 O HETATM 1585 O HOH 110 18.465 24.659 23.855 1.00 33.73 O HETATM 1586 O HOH 111 10.223 30.705 17.861 1.00 38.63 O HETATM 1587 O HOH 112 -4.098 5.297 31.140 1.00 40.91 O HETATM 1588 O HOH 113 -7.222 24.373 48.771 1.00 34.38 O HETATM 1589 O HOH 114 16.798 24.856 14.202 1.00 45.31 O HETATM 1590 O HOH 115 7.307 37.161 36.164 1.00 35.99 O HETATM 1591 O HOH 116 0.792 34.504 46.474 1.00 41.73 O HETATM 1592 O HOH 117 20.994 27.142 39.978 1.00 41.22 O HETATM 1593 O HOH 118 8.398 35.001 21.413 1.00 43.28 O HETATM 1594 O HOH 119 19.755 28.712 41.624 1.00 44.34 O HETATM 1595 O HOH 120 8.412 20.129 52.042 1.00 37.43 O HETATM 1596 O HOH 121 18.079 29.159 45.787 1.00 48.72 O HETATM 1597 O HOH 122 -3.729 33.795 24.097 1.00 52.75 O HETATM 1598 O HOH 123 -6.467 10.520 47.226 1.00 40.14 O HETATM 1599 O HOH 124 14.028 14.677 19.195 1.00 20.56 O HETATM 1600 O HOH 125 23.625 14.233 31.528 1.00 31.70 O HETATM 1601 O HOH 126 -12.354 6.766 47.069 1.00 38.74 O HETATM 1602 O HOH 127 -2.348 4.816 26.388 1.00 33.68 O HETATM 1603 O HOH 128 18.914 20.172 20.563 1.00 36.45 O HETATM 1604 O HOH 129 -3.509 22.823 35.948 1.00 30.61 O HETATM 1605 O HOH 130 0.881 32.656 24.742 1.00 42.93 O HETATM 1606 O HOH 131 -12.061 6.013 38.812 1.00 42.54 O HETATM 1607 O HOH 132 7.835 12.675 14.176 1.00 45.44 O HETATM 1608 O HOH 133 5.712 6.469 33.964 1.00 29.38 O HETATM 1609 O HOH 134 -8.093 35.372 41.883 1.00 39.21 O HETATM 1610 O HOH 135 -10.089 21.487 37.127 1.00 46.17 O HETATM 1611 O HOH 136 7.442 38.187 32.070 1.00 41.95 O HETATM 1612 O HOH 137 10.139 20.629 54.022 1.00 45.91 O HETATM 1613 O HOH 138 17.076 30.115 23.664 1.00 51.40 O HETATM 1614 O HOH 139 19.764 24.913 31.942 1.00 41.28 O HETATM 1615 O HOH 140 0.433 36.332 45.291 1.00 48.43 O HETATM 1616 O HOH 141 20.077 26.526 36.123 1.00 40.76 O HETATM 1617 O HOH 142 11.666 37.916 31.569 1.00 44.97 O HETATM 1618 O HOH 143 6.036 38.363 34.093 1.00 52.27 O HETATM 1619 O HOH 144 -9.509 2.961 41.267 1.00 47.04 O HETATM 1620 O HOH 145 -1.839 32.510 28.037 1.00 46.29 O HETATM 1621 O HOH 146 -9.470 24.064 33.878 1.00 51.09 O HETATM 1622 O HOH 147 16.188 32.278 29.816 1.00 53.57 O HETATM 1623 O HOH 148 21.363 15.458 27.348 1.00 39.46 O HETATM 1624 O HOH 149 14.754 32.508 36.598 1.00 40.45 O HETATM 1625 O HOH 150 18.551 14.751 18.081 1.00 49.48 O HETATM 1626 O HOH 151 25.685 15.485 31.673 1.00 46.42 O HETATM 1627 O HOH 152 7.226 5.436 35.863 1.00 42.59 O HETATM 1628 O HOH 153 13.267 37.547 29.483 1.00 47.80 O HETATM 1629 O HOH 154 2.739 21.395 51.519 1.00 39.26 O HETATM 1630 O HOH 155 6.876 30.300 46.972 1.00 45.09 O HETATM 1631 O HOH 156 15.966 38.094 30.411 1.00 46.78 O HETATM 1632 O HOH 157 6.737 37.963 40.563 1.00 49.64 O HETATM 1633 O HOH 158 -10.805 5.892 49.698 1.00 46.74 O HETATM 1634 O HOH 159 0.026 19.735 52.329 1.00 43.12 O HETATM 1635 O HOH 160 -14.252 13.338 42.676 1.00 50.49 O HETATM 1636 O HOH 161 -2.487 3.543 44.961 1.00 49.34 O HETATM 1637 O HOH 162 2.337 38.322 37.804 1.00 51.95 O HETATM 1638 O HOH 163 15.514 16.303 15.084 1.00 38.58 O HETATM 1639 O HOH 164 6.908 9.276 18.997 1.00 51.38 O HETATM 1640 O HOH 165 18.844 27.612 32.381 1.00 49.78 O HETATM 1641 O HOH 166 8.825 23.294 6.106 1.00 51.91 O HETATM 1642 O HOH 167 3.253 19.108 38.306 1.00 16.73 O HETATM 1643 O HOH 168 9.654 27.260 14.036 1.00 25.83 O HETATM 1644 O HOH 169 16.566 17.819 43.998 1.00 19.31 O HETATM 1645 O HOH 170 -4.685 12.949 48.780 1.00 46.47 O HETATM 1646 O HOH 171 -5.454 3.830 45.293 1.00 44.05 O HETATM 1647 O HOH 172 -12.164 16.665 42.159 1.00 42.41 O HETATM 1648 O HOH 173 -8.399 20.350 45.964 1.00 49.99 O HETATM 1649 O HOH 174 -5.087 17.239 49.777 1.00 33.16 O HETATM 1650 O HOH 175 12.944 26.782 12.132 1.00 51.09 O HETATM 1651 O HOH 176 18.256 30.357 33.990 1.00 56.10 O HETATM 1652 O HOH 177 12.715 18.560 10.219 1.00 47.93 O HETATM 1653 O HOH 178 12.968 15.502 10.860 1.00 38.66 O HETATM 1654 O HOH 179 5.046 -3.518 40.739 1.00 54.70 O HETATM 1655 O HOH 180 8.932 7.962 33.039 1.00 50.39 O HETATM 1656 O HOH 181 1.899 36.010 16.374 1.00 46.24 O HETATM 1657 O HOH 182 1.125 34.150 17.978 1.00 31.94 O HETATM 1658 O HOH 183 13.922 22.766 50.548 1.00 44.94 O HETATM 1659 O HOH 184 15.455 22.951 48.844 1.00 54.67 O HETATM 1660 O HOH 185 14.519 24.828 49.564 1.00 55.73 O HETATM 1661 O HOH 186 -3.564 10.811 47.361 1.00 40.75 O HETATM 1662 O HOH 187 4.842 -1.565 37.796 1.00 59.32 O HETATM 1663 O HOH 188 3.116 3.278 35.514 1.00 46.39 O HETATM 1664 O HOH 189 -6.994 20.551 33.852 1.00 40.59 O HETATM 1665 O HOH 190 3.683 37.412 33.172 1.00 44.69 O HETATM 1666 O HOH 191 6.302 2.522 37.128 1.00 53.99 O HETATM 1667 O HOH 192 18.633 18.649 17.897 1.00 51.50 O HETATM 1668 O HOH 193 -8.732 12.099 47.526 1.00 49.32 O HETATM 1669 O71 GA A 3 0.884 20.106 34.281 1.00 -0.57 O HETATM 1670 C7 GA A 3 1.451 20.874 33.471 1.00 0.04 C HETATM 1671 O72 GA A 3 1.512 20.632 32.244 1.00 -0.57 O HETATM 1672 C6 GA A 3 2.069 22.148 34.022 1.00 0.01 C HETATM 1673 C5 GA A 3 3.341 22.629 33.299 1.00 -0.01 C HETATM 1674 C10 GA A 3 3.427 24.104 33.726 1.00 0.06 C HETATM 1675 C9 GA A 3 1.991 24.604 33.773 1.00 -0.04 C HETATM 1676 C8 GA A 3 1.096 23.355 33.987 1.00 -0.02 C HETATM 1677 C15 GA A 3 -0.035 23.329 32.944 1.00 -0.01 C HETATM 1678 C16 GA A 3 -0.863 24.479 33.434 1.00 -0.03 C HETATM 1679 C17 GA A 3 -1.766 25.144 32.737 1.00 -0.04 C HETATM 1680 H GA A 3 -1.935 24.898 31.690 1.00 0.13 H HETATM 1681 H GA A 3 -2.342 25.938 33.209 1.00 0.13 H HETATM 1682 C13 GA A 3 -0.566 24.759 34.898 1.00 0.05 C HETATM 1683 C14 GA A 3 0.262 23.512 35.262 1.00 -0.05 C HETATM 1684 H GA A 3 0.896 23.688 36.144 1.00 0.02 H HETATM 1685 H GA A 3 -0.379 22.636 35.440 1.00 0.02 H HETATM 1686 O13 GA A 3 -1.782 24.919 35.656 1.00 -0.43 O HETATM 1687 H GA A 3 -2.343 24.166 35.515 1.00 0.19 H HETATM 1688 C12 GA A 3 0.306 26.019 35.063 1.00 -0.06 C HETATM 1689 C11 GA A 3 1.784 25.707 34.818 1.00 -0.07 C HETATM 1690 H GA A 3 2.237 25.383 35.766 1.00 0.02 H HETATM 1691 H GA A 3 2.283 26.622 34.467 1.00 0.02 H HETATM 1692 H GA A 3 0.186 26.407 36.085 1.00 0.02 H HETATM 1693 H GA A 3 -0.024 26.780 34.341 1.00 0.02 H HETATM 1694 H GA A 3 -0.594 22.382 32.971 1.00 0.04 H HETATM 1695 H GA A 3 0.344 23.503 31.926 1.00 0.04 H HETATM 1696 H GA A 3 1.743 25.039 32.794 1.00 0.02 H HETATM 1697 O92 GA A 3 3.999 23.928 35.100 1.00 -0.33 O HETATM 1698 C19 GA A 3 4.736 22.787 35.173 1.00 0.26 C HETATM 1699 C4 GA A 3 4.688 22.082 33.835 1.00 0.11 C HETATM 1700 C3 GA A 3 5.795 22.734 32.967 1.00 0.14 C HETATM 1701 C2 GA A 3 5.660 24.232 32.846 1.00 0.01 C HETATM 1702 C1 GA A 3 4.474 24.837 32.936 1.00 -0.05 C HETATM 1703 H GA A 3 4.278 25.800 32.467 1.00 0.05 H HETATM 1704 H GA A 3 6.552 24.834 32.681 1.00 0.16 H HETATM 1705 O31 GA A 3 5.693 22.221 31.649 1.00 -0.36 O HETATM 1706 H GA A 3 5.772 21.275 31.672 1.00 0.22 H HETATM 1707 H GA A 3 6.777 22.490 33.399 1.00 0.10 H HETATM 1708 C18 GA A 3 4.801 20.556 33.916 1.00 -0.05 C HETATM 1709 H GA A 3 3.989 20.161 34.544 1.00 0.02 H HETATM 1710 H GA A 3 5.771 20.283 34.357 1.00 0.02 H HETATM 1711 H GA A 3 4.724 20.128 32.905 1.00 0.02 H HETATM 1712 O91 GA A 3 5.332 22.570 36.184 1.00 -0.31 O HETATM 1713 H GA A 3 3.256 22.479 32.213 1.00 0.02 H HETATM 1714 H GA A 3 2.331 21.941 35.070 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1669 1670 CONECT 1670 1669 1671 1672 CONECT 1671 1670 CONECT 1672 1670 1673 1676 1714 CONECT 1673 1672 1674 1699 1713 CONECT 1674 1673 1675 1697 1702 CONECT 1675 1674 1676 1689 1696 CONECT 1676 1672 1675 1677 1683 CONECT 1677 1676 1678 1694 1695 CONECT 1678 1677 1679 1682 CONECT 1679 1678 1680 1681 CONECT 1680 1679 CONECT 1681 1679 CONECT 1682 1678 1683 1686 1688 CONECT 1683 1676 1682 1684 1685 CONECT 1684 1683 CONECT 1685 1683 CONECT 1686 1682 1687 CONECT 1687 1686 CONECT 1688 1682 1689 1692 1693 CONECT 1689 1675 1688 1690 1691 CONECT 1690 1689 CONECT 1691 1689 CONECT 1692 1688 CONECT 1693 1688 CONECT 1694 1677 CONECT 1695 1677 CONECT 1696 1675 CONECT 1697 1674 1698 CONECT 1698 1697 1699 1712 CONECT 1699 1673 1698 1700 1708 CONECT 1700 1699 1701 1705 1707 CONECT 1701 1700 1702 1704 CONECT 1702 1674 1701 1703 CONECT 1703 1702 CONECT 1704 1701 CONECT 1705 1700 1706 CONECT 1706 1705 CONECT 1707 1700 CONECT 1708 1699 1709 1710 1711 CONECT 1709 1708 CONECT 1710 1708 CONECT 1711 1708 CONECT 1712 1698 CONECT 1713 1673 CONECT 1714 1672 MASTER 0 0 0 0 0 0 0 0 1713 1 50 12 END
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Structure:
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Protein
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Related entries of code: 4q0k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
4psb
RCSB PDB
PDBbind
GA3
Entry Information
PDB ID
4q0k
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cytokinin-specific binding protein PhBP
Ligand Name
GA3
EC.Number
E.C.-.-.-.-
Resolution
1.34(Å)
Affinity (Kd/Ki/IC50)
Kd=13.4uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acta Crystallogr.,Sect.D Vol. 70: pp. 2032-2041
Ligand Properties
Formula
C
1
9
H
2
2
O
6
Molecular Weight
346.374
Exact Mass
346.142
No. of atoms
47
No. of bonds
51
Polar Surface Area
104.06
LOGP Value
1.11 (
Computed with XLOGP3
)
1.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O
InChI String
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
G7J032
Entrez Gene ID
NCBI Entrez Gene ID:
11418550
ASD
Information of known allosteric effects of PDB entries
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