Browse entries in the PDBbind-CN Database
HEADER 6GF9_COMPLEX COMPND 6GF9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 161 ILE VAL THR GLN THR MET LYS GLY LEU ASP ILE GLN LYS SEQRES 2 A 161 VAL ALA GLY THR TRP TYR SER LEU ALA MET ALA ALA SER SEQRES 3 A 161 ASP ILE SER LEU LEU ASP ALA GLN SER ALA PRO LEU ARG SEQRES 4 A 161 VAL TYR VAL GLU GLU LEU LYS PRO THR PRO GLU GLY ASP SEQRES 5 A 161 LEU GLU ILE LEU LEU GLN LYS TRP GLU ASN GLY GLU CYS SEQRES 6 A 161 ALA GLN LYS LYS ILE ILE ALA GLU LYS THR LYS ILE PRO SEQRES 7 A 161 ALA VAL PHE LYS ILE ASP ALA LEU ASN GLU ASN LYS VAL SEQRES 8 A 161 LEU VAL LEU ASP THR ASP TYR LYS LYS TYR LEU LEU PHE SEQRES 9 A 161 CYS MET GLU ASN SER ALA GLU PRO GLU GLN SER LEU ALA SEQRES 10 A 161 CYS GLN CYS LEU VAL ARG THR PRO GLU VAL ASP ASP GLU SEQRES 11 A 161 ALA LEU GLU LYS PHE ASP LYS ALA LEU LYS ALA LEU PRO SEQRES 12 A 161 MET HIS ILE ARG LEU SER PHE ASN PRO THR GLN LEU GLU SEQRES 13 A 161 GLU GLN CYS HIS ILE HET X A 90 52 SSBOND 1 CYS A 106 CYS A 119 SSBOND 2 CYS A 66 CYS A 160 ATOM 1 N ILE A 2 20.996 10.879 57.471 1.00 69.37 N ATOM 2 CA ILE A 2 21.366 10.705 58.917 1.00 65.81 C ATOM 3 C ILE A 2 22.434 9.612 59.035 1.00 59.44 C ATOM 4 O ILE A 2 23.487 9.849 59.626 1.00 61.53 O ATOM 5 CB ILE A 2 20.138 10.398 59.803 1.00 66.90 C ATOM 6 CG1 ILE A 2 19.000 11.404 59.619 1.00 70.21 C ATOM 7 CG2 ILE A 2 20.538 10.302 61.269 1.00 68.10 C ATOM 8 CD1 ILE A 2 19.010 12.537 60.621 1.00 74.19 C ATOM 9 HN3 ILE A 2 20.622 9.982 57.100 1.00 0.00 H ATOM 10 HN2 ILE A 2 21.840 11.154 56.929 1.00 0.00 H ATOM 11 HN1 ILE A 2 20.271 11.620 57.387 1.00 0.00 H ATOM 12 N VAL A 3 22.174 8.428 58.491 1.00 56.83 N ATOM 13 CA VAL A 3 23.064 7.281 58.710 1.00 55.37 C ATOM 14 C VAL A 3 24.312 7.443 57.823 1.00 55.61 C ATOM 15 O VAL A 3 24.195 7.555 56.610 1.00 57.75 O ATOM 16 CB VAL A 3 22.334 5.947 58.453 1.00 55.24 C ATOM 17 CG1 VAL A 3 23.261 4.766 58.662 1.00 54.22 C ATOM 18 CG2 VAL A 3 21.093 5.783 59.318 1.00 53.89 C ATOM 19 H VAL A 3 21.326 8.312 57.900 1.00 0.00 H ATOM 20 N THR A 4 25.498 7.449 58.428 1.00 55.68 N ATOM 21 CA THR A 4 26.767 7.703 57.747 1.00 58.68 C ATOM 22 C THR A 4 27.548 6.401 57.526 1.00 53.88 C ATOM 23 O THR A 4 28.758 6.436 57.296 1.00 55.80 O ATOM 24 CB THR A 4 27.640 8.659 58.570 1.00 60.40 C ATOM 25 OG1 THR A 4 27.766 8.085 59.874 1.00 67.15 O ATOM 26 CG2 THR A 4 27.071 10.058 58.638 1.00 63.11 C ATOM 27 HG1 THR A 4 28.325 8.674 60.440 1.00 0.00 H ATOM 28 H THR A 4 25.524 7.261 59.451 1.00 0.00 H ATOM 29 N GLN A 5 26.879 5.262 57.664 1.00 49.72 N ATOM 30 CA GLN A 5 27.502 3.951 57.525 1.00 48.99 C ATOM 31 C GLN A 5 26.707 3.136 56.491 1.00 47.07 C ATOM 32 O GLN A 5 25.541 2.870 56.686 1.00 45.80 O ATOM 33 CB GLN A 5 27.559 3.279 58.900 1.00 48.67 C ATOM 34 CG GLN A 5 28.221 4.115 59.991 1.00 51.11 C ATOM 35 CD GLN A 5 27.640 3.864 61.365 1.00 50.66 C ATOM 36 OE1 GLN A 5 28.080 2.988 62.108 1.00 48.16 O ATOM 37 NE2 GLN A 5 26.633 4.648 61.725 1.00 51.22 N ATOM 38 HE22 GLN A 5 26.285 5.379 61.073 1.00 0.00 H ATOM 39 HE21 GLN A 5 26.192 4.531 62.659 1.00 0.00 H ATOM 40 H GLN A 5 25.863 5.307 57.881 1.00 0.00 H ATOM 41 N THR A 6 27.332 2.783 55.381 1.00 48.12 N ATOM 42 CA THR A 6 26.765 1.925 54.366 1.00 46.30 C ATOM 43 C THR A 6 27.837 0.888 54.050 1.00 46.08 C ATOM 44 O THR A 6 29.043 1.165 54.104 1.00 48.11 O ATOM 45 CB THR A 6 26.362 2.664 53.084 1.00 47.52 C ATOM 46 OG1 THR A 6 27.408 3.579 52.772 1.00 49.04 O ATOM 47 CG2 THR A 6 25.054 3.408 53.215 1.00 49.80 C ATOM 48 HG1 THR A 6 28.252 3.080 52.634 1.00 0.00 H ATOM 49 H THR A 6 28.294 3.146 55.228 1.00 0.00 H ATOM 50 N MET A 7 27.350 -0.271 53.669 1.00 41.99 N ATOM 51 CA MET A 7 28.150 -1.394 53.266 1.00 44.03 C ATOM 52 C MET A 7 28.722 -1.117 51.862 1.00 43.50 C ATOM 53 O MET A 7 27.968 -0.881 50.929 1.00 44.35 O ATOM 54 CB MET A 7 27.218 -2.613 53.298 1.00 45.47 C ATOM 55 CG MET A 7 27.688 -3.858 52.601 1.00 49.16 C ATOM 56 SD MET A 7 28.708 -4.860 53.682 1.00 53.14 S ATOM 57 CE MET A 7 29.438 -5.939 52.450 1.00 54.37 C ATOM 58 H MET A 7 26.316 -0.383 53.658 1.00 0.00 H ATOM 59 N LYS A 8 30.034 -1.118 51.729 1.00 41.26 N ATOM 60 CA LYS A 8 30.678 -1.122 50.412 1.00 44.49 C ATOM 61 C LYS A 8 30.689 -2.535 49.823 1.00 43.41 C ATOM 62 O LYS A 8 30.963 -3.513 50.523 1.00 42.72 O ATOM 63 CB LYS A 8 32.130 -0.661 50.535 1.00 46.65 C ATOM 64 CG LYS A 8 32.360 0.783 50.942 1.00 48.26 C ATOM 65 CD LYS A 8 33.811 1.196 50.665 1.00 51.42 C ATOM 66 CE LYS A 8 34.036 2.689 50.689 1.00 51.78 C ATOM 67 NZ LYS A 8 35.479 3.020 50.641 1.00 54.12 N ATOM 68 HZ1 LYS A 8 35.957 2.601 51.464 1.00 0.00 H ATOM 69 HZ2 LYS A 8 35.892 2.638 49.766 1.00 0.00 H ATOM 70 HZ3 LYS A 8 35.597 4.053 50.659 1.00 0.00 H ATOM 71 H LYS A 8 30.629 -1.116 52.582 1.00 0.00 H ATOM 72 N GLY A 9 30.395 -2.627 48.536 1.00 46.13 N ATOM 73 CA GLY A 9 30.510 -3.891 47.784 1.00 47.37 C ATOM 74 C GLY A 9 29.340 -4.817 48.077 1.00 45.77 C ATOM 75 O GLY A 9 29.421 -6.028 47.937 1.00 48.47 O ATOM 76 H GLY A 9 30.070 -1.775 48.035 1.00 0.00 H ATOM 77 N LEU A 10 28.200 -4.263 48.446 1.00 43.36 N ATOM 78 CA LEU A 10 27.065 -5.101 48.768 1.00 41.55 C ATOM 79 C LEU A 10 26.630 -5.899 47.528 1.00 43.32 C ATOM 80 O LEU A 10 26.453 -5.361 46.418 1.00 44.29 O ATOM 81 CB LEU A 10 25.894 -4.255 49.275 1.00 38.79 C ATOM 82 CG LEU A 10 24.581 -5.028 49.473 1.00 38.38 C ATOM 83 CD1 LEU A 10 24.718 -6.042 50.602 1.00 36.72 C ATOM 84 CD2 LEU A 10 23.407 -4.090 49.727 1.00 37.15 C ATOM 85 H LEU A 10 28.118 -3.228 48.505 1.00 0.00 H ATOM 86 N ASP A 11 26.379 -7.177 47.778 1.00 43.36 N ATOM 87 CA ASP A 11 25.827 -8.080 46.764 1.00 46.34 C ATOM 88 C ASP A 11 24.434 -8.471 47.235 1.00 44.58 C ATOM 89 O ASP A 11 24.318 -9.358 48.077 1.00 44.88 O ATOM 90 CB ASP A 11 26.723 -9.308 46.535 1.00 48.26 C ATOM 91 CG ASP A 11 26.158 -10.283 45.452 1.00 51.28 C ATOM 92 OD1 ASP A 11 24.942 -10.232 45.104 1.00 51.45 O ATOM 93 OD2 ASP A 11 26.960 -11.095 44.913 1.00 54.82 O ATOM 94 H ASP A 11 26.581 -7.552 48.727 1.00 0.00 H ATOM 95 N ILE A 12 23.413 -7.817 46.672 1.00 43.85 N ATOM 96 CA ILE A 12 22.051 -7.892 47.151 1.00 44.72 C ATOM 97 C ILE A 12 21.539 -9.329 46.986 1.00 45.81 C ATOM 98 O ILE A 12 20.806 -9.781 47.855 1.00 43.93 O ATOM 99 CB ILE A 12 21.112 -6.845 46.507 1.00 45.09 C ATOM 100 CG1 ILE A 12 19.835 -6.656 47.336 1.00 45.03 C ATOM 101 CG2 ILE A 12 20.757 -7.196 45.079 1.00 49.71 C ATOM 102 CD1 ILE A 12 20.041 -6.304 48.804 1.00 41.93 C ATOM 103 H ILE A 12 23.610 -7.221 45.843 1.00 0.00 H ATOM 104 N GLN A 13 21.988 -10.072 45.975 1.00 48.54 N ATOM 105 CA GLN A 13 21.489 -11.450 45.775 1.00 50.37 C ATOM 106 C GLN A 13 21.803 -12.349 46.981 1.00 48.24 C ATOM 107 O GLN A 13 21.010 -13.245 47.306 1.00 47.58 O ATOM 108 CB GLN A 13 22.107 -12.085 44.528 1.00 54.74 C ATOM 109 CG GLN A 13 21.733 -11.334 43.259 1.00 58.59 C ATOM 110 CD GLN A 13 20.234 -11.297 43.047 1.00 60.41 C ATOM 111 OE1 GLN A 13 19.517 -12.220 43.440 1.00 62.65 O ATOM 112 NE2 GLN A 13 19.748 -10.227 42.428 1.00 62.60 N ATOM 113 HE22 GLN A 13 20.390 -9.472 42.113 1.00 0.00 H ATOM 114 HE21 GLN A 13 18.725 -10.144 42.258 1.00 0.00 H ATOM 115 H GLN A 13 22.695 -9.680 45.321 1.00 0.00 H ATOM 116 N LYS A 14 22.923 -12.062 47.651 1.00 47.69 N ATOM 117 CA LYS A 14 23.437 -12.911 48.714 1.00 46.05 C ATOM 118 C LYS A 14 22.732 -12.645 50.048 1.00 41.60 C ATOM 119 O LYS A 14 23.064 -13.311 51.029 1.00 38.49 O ATOM 120 CB LYS A 14 24.949 -12.712 48.813 1.00 47.87 C ATOM 121 CG LYS A 14 25.683 -13.375 47.651 1.00 52.74 C ATOM 122 CD LYS A 14 27.181 -13.200 47.652 1.00 56.74 C ATOM 123 CE LYS A 14 27.851 -13.722 48.907 1.00 58.29 C ATOM 124 NZ LYS A 14 29.158 -13.044 49.112 1.00 61.79 N ATOM 125 HZ1 LYS A 14 29.775 -13.228 48.295 1.00 0.00 H ATOM 126 HZ2 LYS A 14 29.005 -12.020 49.208 1.00 0.00 H ATOM 127 HZ3 LYS A 14 29.606 -13.411 49.976 1.00 0.00 H ATOM 128 H LYS A 14 23.447 -11.199 47.403 1.00 0.00 H ATOM 129 N VAL A 15 21.789 -11.703 50.101 1.00 40.37 N ATOM 130 CA VAL A 15 21.027 -11.497 51.356 1.00 37.15 C ATOM 131 C VAL A 15 19.708 -12.273 51.261 1.00 36.75 C ATOM 132 O VAL A 15 18.938 -12.272 52.202 1.00 33.16 O ATOM 133 CB VAL A 15 20.781 -10.018 51.719 1.00 36.42 C ATOM 134 CG1 VAL A 15 22.076 -9.236 51.819 1.00 36.21 C ATOM 135 CG2 VAL A 15 19.760 -9.312 50.843 1.00 36.78 C ATOM 136 H VAL A 15 21.589 -11.116 49.266 1.00 0.00 H ATOM 137 N ALA A 16 19.475 -12.976 50.149 1.00 36.98 N ATOM 138 CA ALA A 16 18.298 -13.816 50.007 1.00 37.90 C ATOM 139 C ALA A 16 18.162 -14.781 51.198 1.00 37.19 C ATOM 140 O ALA A 16 19.162 -15.280 51.757 1.00 36.19 O ATOM 141 CB ALA A 16 18.373 -14.573 48.687 1.00 40.75 C ATOM 142 H ALA A 16 20.155 -12.920 49.364 1.00 0.00 H ATOM 143 N GLY A 17 16.913 -15.063 51.578 1.00 36.89 N ATOM 144 CA GLY A 17 16.639 -16.153 52.496 1.00 37.83 C ATOM 145 C GLY A 17 16.068 -15.669 53.819 1.00 37.27 C ATOM 146 O GLY A 17 15.601 -14.494 53.952 1.00 35.50 O ATOM 147 H GLY A 17 16.125 -14.493 51.210 1.00 0.00 H ATOM 148 N THR A 18 16.217 -16.545 54.819 1.00 38.25 N ATOM 149 CA THR A 18 15.513 -16.352 56.071 1.00 38.75 C ATOM 150 C THR A 18 16.347 -15.452 56.995 1.00 35.77 C ATOM 151 O THR A 18 17.564 -15.540 57.103 1.00 34.92 O ATOM 152 CB THR A 18 15.093 -17.710 56.654 1.00 43.37 C ATOM 153 OG1 THR A 18 16.204 -18.590 56.767 1.00 52.54 O ATOM 154 CG2 THR A 18 14.111 -18.447 55.776 1.00 42.89 C ATOM 155 HG1 THR A 18 15.902 -19.454 57.145 1.00 0.00 H ATOM 156 H THR A 18 16.841 -17.368 54.697 1.00 0.00 H ATOM 157 N TRP A 19 15.648 -14.513 57.620 1.00 34.64 N ATOM 158 CA TRP A 19 16.243 -13.681 58.663 1.00 34.25 C ATOM 159 C TRP A 19 15.306 -13.563 59.859 1.00 32.75 C ATOM 160 O TRP A 19 14.104 -13.687 59.707 1.00 32.83 O ATOM 161 CB TRP A 19 16.552 -12.271 58.146 1.00 35.29 C ATOM 162 CG TRP A 19 17.581 -12.213 57.056 1.00 35.08 C ATOM 163 CD1 TRP A 19 17.364 -12.239 55.714 1.00 36.88 C ATOM 164 CD2 TRP A 19 19.008 -12.106 57.230 1.00 35.58 C ATOM 165 NE1 TRP A 19 18.556 -12.154 55.036 1.00 36.29 N ATOM 166 CE2 TRP A 19 19.582 -12.077 55.944 1.00 35.25 C ATOM 167 CE3 TRP A 19 19.860 -12.068 58.340 1.00 35.30 C ATOM 168 CZ2 TRP A 19 20.958 -12.002 55.757 1.00 35.20 C ATOM 169 CZ3 TRP A 19 21.219 -11.934 58.150 1.00 34.79 C ATOM 170 CH2 TRP A 19 21.763 -11.941 56.868 1.00 34.36 C ATOM 171 HE1 TRP A 19 18.663 -12.149 54.002 1.00 0.00 H ATOM 172 H TRP A 19 14.652 -14.366 57.361 1.00 0.00 H ATOM 173 N TYR A 20 15.929 -13.200 60.968 1.00 32.14 N ATOM 174 CA TYR A 20 15.305 -12.982 62.263 1.00 33.46 C ATOM 175 C TYR A 20 15.684 -11.602 62.781 1.00 30.34 C ATOM 176 O TYR A 20 16.873 -11.288 62.842 1.00 30.93 O ATOM 177 CB TYR A 20 15.817 -13.988 63.291 1.00 33.75 C ATOM 178 CG TYR A 20 15.398 -15.424 63.063 1.00 37.86 C ATOM 179 CD1 TYR A 20 16.077 -16.294 62.212 1.00 39.13 C ATOM 180 CD2 TYR A 20 14.309 -15.916 63.752 1.00 37.56 C ATOM 181 CE1 TYR A 20 15.669 -17.615 62.049 1.00 40.26 C ATOM 182 CE2 TYR A 20 13.896 -17.226 63.596 1.00 42.70 C ATOM 183 CZ TYR A 20 14.577 -18.082 62.753 1.00 42.06 C ATOM 184 OH TYR A 20 14.044 -19.336 62.705 1.00 46.48 O ATOM 185 HH TYR A 20 14.061 -19.735 63.611 1.00 0.00 H ATOM 186 H TYR A 20 16.957 -13.058 60.908 1.00 0.00 H ATOM 187 N SER A 21 14.700 -10.835 63.190 1.00 28.43 N ATOM 188 CA SER A 21 14.958 -9.525 63.776 1.00 27.89 C ATOM 189 C SER A 21 15.351 -9.648 65.257 1.00 27.53 C ATOM 190 O SER A 21 14.511 -9.612 66.168 1.00 26.89 O ATOM 191 CB SER A 21 13.746 -8.662 63.573 1.00 29.03 C ATOM 192 OG SER A 21 13.517 -8.472 62.187 1.00 29.24 O ATOM 193 HG SER A 21 14.305 -8.031 61.781 1.00 0.00 H ATOM 194 H SER A 21 13.719 -11.168 63.094 1.00 0.00 H ATOM 195 N LEU A 22 16.648 -9.760 65.503 1.00 26.53 N ATOM 196 CA LEU A 22 17.125 -10.024 66.874 1.00 27.65 C ATOM 197 C LEU A 22 17.032 -8.752 67.744 1.00 27.58 C ATOM 198 O LEU A 22 16.641 -8.854 68.874 1.00 29.05 O ATOM 199 CB LEU A 22 18.564 -10.537 66.799 1.00 28.44 C ATOM 200 CG LEU A 22 19.314 -10.667 68.119 1.00 30.11 C ATOM 201 CD1 LEU A 22 18.755 -11.785 68.997 1.00 31.37 C ATOM 202 CD2 LEU A 22 20.788 -10.882 67.843 1.00 31.72 C ATOM 203 H LEU A 22 17.333 -9.661 64.726 1.00 0.00 H ATOM 204 N ALA A 23 17.399 -7.574 67.255 1.00 25.38 N ATOM 205 CA ALA A 23 17.285 -6.311 68.001 1.00 25.76 C ATOM 206 C ALA A 23 16.778 -5.211 67.069 1.00 27.19 C ATOM 207 O ALA A 23 16.969 -5.315 65.834 1.00 24.44 O ATOM 208 CB ALA A 23 18.600 -5.930 68.609 1.00 25.12 C ATOM 209 H ALA A 23 17.789 -7.542 66.291 1.00 0.00 H ATOM 210 N MET A 24 16.095 -4.227 67.668 1.00 28.02 N ATOM 211 CA MET A 24 15.624 -3.030 66.972 1.00 28.73 C ATOM 212 C MET A 24 15.894 -1.813 67.845 1.00 27.75 C ATOM 213 O MET A 24 15.892 -1.929 69.084 1.00 26.59 O ATOM 214 CB MET A 24 14.120 -3.027 66.711 1.00 32.90 C ATOM 215 CG MET A 24 13.498 -4.393 66.594 1.00 36.10 C ATOM 216 SD MET A 24 11.693 -4.353 66.476 1.00 35.54 S ATOM 217 CE MET A 24 11.571 -5.977 65.730 1.00 34.45 C ATOM 218 H MET A 24 15.888 -4.319 68.683 1.00 0.00 H ATOM 219 N ALA A 25 16.064 -0.673 67.188 1.00 26.50 N ATOM 220 CA ALA A 25 16.248 0.615 67.857 1.00 28.13 C ATOM 221 C ALA A 25 15.591 1.717 67.023 1.00 29.93 C ATOM 222 O ALA A 25 15.497 1.554 65.781 1.00 29.49 O ATOM 223 CB ALA A 25 17.717 0.852 68.028 1.00 28.84 C ATOM 224 H ALA A 25 16.067 -0.696 66.148 1.00 0.00 H ATOM 225 N ALA A 26 15.118 2.787 67.660 1.00 28.93 N ATOM 226 CA ALA A 26 14.492 3.895 66.946 1.00 29.99 C ATOM 227 C ALA A 26 14.833 5.223 67.626 1.00 31.93 C ATOM 228 O ALA A 26 15.172 5.260 68.813 1.00 31.66 O ATOM 229 CB ALA A 26 12.992 3.728 66.869 1.00 30.77 C ATOM 230 H ALA A 26 15.197 2.834 68.696 1.00 0.00 H ATOM 231 N SER A 27 14.625 6.303 66.874 1.00 32.73 N ATOM 232 CA SER A 27 14.898 7.664 67.300 1.00 35.27 C ATOM 233 C SER A 27 13.833 8.153 68.288 1.00 37.20 C ATOM 234 O SER A 27 14.111 9.088 69.029 1.00 38.89 O ATOM 235 CB SER A 27 14.986 8.580 66.097 1.00 36.05 C ATOM 236 OG SER A 27 13.839 8.371 65.285 1.00 36.07 O ATOM 237 HG SER A 27 13.024 8.577 65.808 1.00 0.00 H ATOM 238 H SER A 27 14.241 6.162 65.918 1.00 0.00 H ATOM 239 N ASP A 28 12.630 7.587 68.211 1.00 37.97 N ATOM 240 CA ASP A 28 11.487 7.995 69.002 1.00 40.05 C ATOM 241 C ASP A 28 10.812 6.772 69.579 1.00 37.89 C ATOM 242 O ASP A 28 10.587 5.758 68.894 1.00 34.41 O ATOM 243 CB ASP A 28 10.504 8.776 68.156 1.00 45.97 C ATOM 244 CG ASP A 28 11.180 9.929 67.414 1.00 51.27 C ATOM 245 OD1 ASP A 28 11.652 10.867 68.095 1.00 57.31 O ATOM 246 OD2 ASP A 28 11.290 9.897 66.152 1.00 55.25 O ATOM 247 H ASP A 28 12.503 6.802 67.540 1.00 0.00 H ATOM 248 N ILE A 29 10.487 6.877 70.863 1.00 37.78 N ATOM 249 CA ILE A 29 10.003 5.750 71.633 1.00 36.88 C ATOM 250 C ILE A 29 8.738 5.216 70.961 1.00 36.98 C ATOM 251 O ILE A 29 8.556 3.994 70.908 1.00 33.98 O ATOM 252 CB ILE A 29 9.748 6.136 73.113 1.00 38.48 C ATOM 253 CG1 ILE A 29 11.059 6.424 73.857 1.00 38.17 C ATOM 254 CG2 ILE A 29 8.928 5.058 73.817 1.00 38.12 C ATOM 255 CD1 ILE A 29 10.914 7.204 75.161 1.00 40.71 C ATOM 256 H ILE A 29 10.584 7.801 71.331 1.00 0.00 H ATOM 257 N SER A 30 7.904 6.147 70.472 1.00 40.12 N ATOM 258 CA SER A 30 6.596 5.849 69.857 1.00 42.10 C ATOM 259 C SER A 30 6.729 4.994 68.591 1.00 40.09 C ATOM 260 O SER A 30 5.793 4.309 68.200 1.00 41.21 O ATOM 261 CB SER A 30 5.840 7.113 69.578 1.00 46.47 C ATOM 262 OG SER A 30 6.583 7.980 68.728 1.00 49.83 O ATOM 263 HG SER A 30 6.061 8.804 68.561 1.00 0.00 H ATOM 264 H SER A 30 8.199 7.143 70.530 1.00 0.00 H ATOM 265 N LEU A 31 7.881 4.945 67.953 1.00 37.96 N ATOM 266 CA LEU A 31 8.018 4.094 66.748 1.00 36.04 C ATOM 267 C LEU A 31 8.068 2.590 67.091 1.00 35.99 C ATOM 268 O LEU A 31 7.801 1.717 66.186 1.00 33.03 O ATOM 269 CB LEU A 31 9.303 4.526 66.036 1.00 35.25 C ATOM 270 CG LEU A 31 9.338 5.968 65.538 1.00 37.78 C ATOM 271 CD1 LEU A 31 10.704 6.285 64.962 1.00 36.96 C ATOM 272 CD2 LEU A 31 8.273 6.200 64.475 1.00 40.42 C ATOM 273 H LEU A 31 8.691 5.501 68.294 1.00 0.00 H ATOM 274 N LEU A 32 8.494 2.247 68.336 1.00 33.67 N ATOM 275 CA LEU A 32 8.644 0.849 68.712 1.00 35.00 C ATOM 276 C LEU A 32 7.916 0.442 70.007 1.00 36.55 C ATOM 277 O LEU A 32 7.975 -0.737 70.320 1.00 35.57 O ATOM 278 CB LEU A 32 10.138 0.551 68.899 1.00 33.91 C ATOM 279 CG LEU A 32 10.999 0.528 67.646 1.00 32.42 C ATOM 280 CD1 LEU A 32 12.461 0.289 68.013 1.00 31.73 C ATOM 281 CD2 LEU A 32 10.528 -0.553 66.686 1.00 33.27 C ATOM 282 H LEU A 32 8.715 2.992 69.027 1.00 0.00 H ATOM 283 N ASP A 33 7.280 1.336 70.766 1.00 40.54 N ATOM 284 CA ASP A 33 6.846 0.970 72.132 1.00 43.39 C ATOM 285 C ASP A 33 5.712 -0.089 72.165 1.00 46.02 C ATOM 286 O ASP A 33 5.905 -1.142 72.745 1.00 50.46 O ATOM 287 CB ASP A 33 6.487 2.216 72.945 1.00 46.02 C ATOM 288 CG ASP A 33 5.349 2.984 72.328 1.00 48.65 C ATOM 289 OD1 ASP A 33 4.977 2.585 71.197 1.00 49.78 O ATOM 290 OD2 ASP A 33 4.833 3.947 72.940 1.00 50.42 O ATOM 291 H ASP A 33 7.089 2.290 70.398 1.00 0.00 H ATOM 292 N ALA A 34 4.581 0.112 71.507 1.00 49.66 N ATOM 293 CA ALA A 34 3.484 -0.885 71.509 1.00 50.11 C ATOM 294 C ALA A 34 3.756 -2.026 70.524 1.00 47.37 C ATOM 295 O ALA A 34 4.597 -1.868 69.656 1.00 47.00 O ATOM 296 CB ALA A 34 2.198 -0.174 71.177 1.00 52.64 C ATOM 297 H ALA A 34 4.458 0.996 70.973 1.00 0.00 H ATOM 298 N GLN A 35 3.064 -3.166 70.671 1.00 47.87 N ATOM 299 CA GLN A 35 2.993 -4.265 69.695 1.00 45.88 C ATOM 300 C GLN A 35 2.675 -3.730 68.295 1.00 45.57 C ATOM 301 O GLN A 35 3.128 -4.241 67.290 1.00 44.40 O ATOM 302 CB GLN A 35 1.869 -5.259 70.023 1.00 47.14 C ATOM 303 CG GLN A 35 2.075 -6.129 71.257 1.00 45.98 C ATOM 304 CD GLN A 35 0.905 -7.056 71.491 1.00 47.57 C ATOM 305 OE1 GLN A 35 -0.129 -6.647 72.018 1.00 49.43 O ATOM 306 NE2 GLN A 35 1.054 -8.315 71.101 1.00 45.91 N ATOM 307 HE22 GLN A 35 1.945 -8.621 70.659 1.00 0.00 H ATOM 308 HE21 GLN A 35 0.280 -8.997 71.237 1.00 0.00 H ATOM 309 H GLN A 35 2.529 -3.284 71.555 1.00 0.00 H ATOM 310 N SER A 36 1.785 -2.750 68.274 1.00 47.62 N ATOM 311 CA SER A 36 1.236 -2.180 67.041 1.00 50.70 C ATOM 312 C SER A 36 1.960 -0.885 66.640 1.00 49.86 C ATOM 313 O SER A 36 1.422 -0.100 65.881 1.00 53.17 O ATOM 314 CB SER A 36 -0.229 -1.911 67.215 1.00 52.88 C ATOM 315 OG SER A 36 -0.365 -0.789 68.064 1.00 54.93 O ATOM 316 HG SER A 36 0.081 -0.008 67.651 1.00 0.00 H ATOM 317 H SER A 36 1.458 -2.364 69.182 1.00 0.00 H ATOM 318 N ALA A 37 3.149 -0.644 67.159 1.00 47.62 N ATOM 319 CA ALA A 37 3.842 0.586 66.876 1.00 47.09 C ATOM 320 C ALA A 37 4.256 0.581 65.405 1.00 45.91 C ATOM 321 O ALA A 37 4.525 -0.470 64.847 1.00 44.58 O ATOM 322 CB ALA A 37 5.035 0.717 67.794 1.00 44.34 C ATOM 323 H ALA A 37 3.591 -1.351 67.780 1.00 0.00 H ATOM 324 N PRO A 38 4.384 1.768 64.805 1.00 47.84 N ATOM 325 CA PRO A 38 4.575 1.846 63.357 1.00 46.83 C ATOM 326 C PRO A 38 5.805 1.125 62.780 1.00 43.41 C ATOM 327 O PRO A 38 5.699 0.634 61.644 1.00 42.50 O ATOM 328 CB PRO A 38 4.743 3.344 63.079 1.00 49.32 C ATOM 329 CG PRO A 38 3.925 3.983 64.172 1.00 51.96 C ATOM 330 CD PRO A 38 4.182 3.113 65.384 1.00 49.43 C ATOM 331 N LEU A 39 6.935 1.045 63.480 1.00 39.29 N ATOM 332 CA LEU A 39 8.070 0.376 62.829 1.00 37.09 C ATOM 333 C LEU A 39 8.456 -0.887 63.580 1.00 35.02 C ATOM 334 O LEU A 39 9.554 -1.408 63.410 1.00 33.01 O ATOM 335 CB LEU A 39 9.249 1.338 62.711 1.00 36.58 C ATOM 336 CG LEU A 39 8.985 2.470 61.724 1.00 38.69 C ATOM 337 CD1 LEU A 39 10.109 3.491 61.747 1.00 38.56 C ATOM 338 CD2 LEU A 39 8.785 1.888 60.340 1.00 38.51 C ATOM 339 H LEU A 39 7.011 1.437 64.440 1.00 0.00 H ATOM 340 N ARG A 40 7.499 -1.365 64.359 1.00 37.35 N ATOM 341 CA ARG A 40 7.655 -2.655 65.012 1.00 36.62 C ATOM 342 C ARG A 40 7.367 -3.736 63.958 1.00 36.73 C ATOM 343 O ARG A 40 6.221 -4.186 63.820 1.00 38.29 O ATOM 344 CB ARG A 40 6.734 -2.741 66.230 1.00 39.39 C ATOM 345 CG ARG A 40 6.888 -4.058 66.983 1.00 41.98 C ATOM 346 CD ARG A 40 8.109 -4.112 67.888 1.00 39.78 C ATOM 347 NE ARG A 40 7.793 -3.583 69.210 1.00 42.05 N ATOM 348 CZ ARG A 40 7.338 -4.279 70.250 1.00 42.81 C ATOM 349 NH1 ARG A 40 7.219 -5.589 70.168 1.00 45.85 N ATOM 350 NH2 ARG A 40 6.964 -3.661 71.352 1.00 39.27 N ATOM 351 HE ARG A 40 7.937 -2.563 69.354 1.00 0.00 H ATOM 352 HH12 ARG A 40 6.863 -6.131 70.981 1.00 0.00 H ATOM 353 HH11 ARG A 40 7.481 -6.081 69.290 1.00 0.00 H ATOM 354 HH22 ARG A 40 6.609 -4.210 72.161 1.00 0.00 H ATOM 355 HH21 ARG A 40 7.023 -2.624 71.413 1.00 0.00 H ATOM 356 H ARG A 40 6.629 -0.814 64.505 1.00 0.00 H ATOM 357 N VAL A 41 8.381 -4.079 63.161 1.00 33.19 N ATOM 358 CA VAL A 41 8.189 -5.056 62.102 1.00 34.21 C ATOM 359 C VAL A 41 9.242 -6.148 62.283 1.00 31.44 C ATOM 360 O VAL A 41 10.352 -5.890 62.747 1.00 32.56 O ATOM 361 CB VAL A 41 8.227 -4.411 60.695 1.00 35.27 C ATOM 362 CG1 VAL A 41 7.130 -3.369 60.570 1.00 37.11 C ATOM 363 CG2 VAL A 41 9.558 -3.755 60.383 1.00 34.06 C ATOM 364 H VAL A 41 9.316 -3.644 63.299 1.00 0.00 H ATOM 365 N TYR A 42 8.842 -7.359 61.921 1.00 31.09 N ATOM 366 CA TYR A 42 9.586 -8.586 62.177 1.00 31.20 C ATOM 367 C TYR A 42 9.892 -9.210 60.817 1.00 32.65 C ATOM 368 O TYR A 42 8.979 -9.587 60.097 1.00 33.87 O ATOM 369 CB TYR A 42 8.802 -9.535 63.096 1.00 33.44 C ATOM 370 CG TYR A 42 8.253 -8.918 64.354 1.00 33.68 C ATOM 371 CD1 TYR A 42 9.064 -8.760 65.463 1.00 34.87 C ATOM 372 CD2 TYR A 42 6.937 -8.503 64.479 1.00 38.18 C ATOM 373 CE1 TYR A 42 8.598 -8.235 66.654 1.00 34.96 C ATOM 374 CE2 TYR A 42 6.451 -7.968 65.670 1.00 38.45 C ATOM 375 CZ TYR A 42 7.297 -7.790 66.755 1.00 37.46 C ATOM 376 OH TYR A 42 6.919 -7.224 67.948 1.00 39.94 O ATOM 377 HH TYR A 42 7.694 -7.206 68.564 1.00 0.00 H ATOM 378 H TYR A 42 7.934 -7.439 61.420 1.00 0.00 H ATOM 379 N VAL A 43 11.167 -9.190 60.438 1.00 32.78 N ATOM 380 CA VAL A 43 11.586 -9.649 59.140 1.00 33.64 C ATOM 381 C VAL A 43 11.473 -11.179 59.101 1.00 34.75 C ATOM 382 O VAL A 43 11.826 -11.843 60.087 1.00 33.69 O ATOM 383 CB VAL A 43 13.011 -9.198 58.778 1.00 33.12 C ATOM 384 CG1 VAL A 43 13.439 -9.811 57.452 1.00 34.78 C ATOM 385 CG2 VAL A 43 13.101 -7.693 58.701 1.00 33.39 C ATOM 386 H VAL A 43 11.884 -8.831 61.101 1.00 0.00 H ATOM 387 N GLU A 44 10.894 -11.678 57.995 1.00 34.11 N ATOM 388 CA GLU A 44 10.739 -13.125 57.753 1.00 36.86 C ATOM 389 C GLU A 44 11.737 -13.529 56.648 1.00 38.07 C ATOM 390 O GLU A 44 12.588 -14.428 56.811 1.00 34.88 O ATOM 391 CB GLU A 44 9.274 -13.410 57.412 1.00 40.41 C ATOM 392 CG GLU A 44 8.974 -14.837 56.962 1.00 46.86 C ATOM 393 CD GLU A 44 7.620 -15.132 56.304 1.00 52.80 C ATOM 394 OE1 GLU A 44 6.630 -14.458 56.667 1.00 61.15 O ATOM 395 OE2 GLU A 44 7.520 -16.076 55.464 1.00 54.38 O ATOM 396 H GLU A 44 10.539 -11.014 57.278 1.00 0.00 H ATOM 397 N GLU A 45 11.653 -12.890 55.476 1.00 36.92 N ATOM 398 CA GLU A 45 12.657 -13.272 54.477 1.00 39.97 C ATOM 399 C GLU A 45 12.844 -12.154 53.445 1.00 38.70 C ATOM 400 O GLU A 45 11.965 -11.328 53.207 1.00 37.13 O ATOM 401 CB GLU A 45 12.311 -14.628 53.844 1.00 46.32 C ATOM 402 CG GLU A 45 11.175 -14.642 52.843 1.00 52.23 C ATOM 403 CD GLU A 45 10.957 -16.007 52.180 1.00 56.15 C ATOM 404 OE1 GLU A 45 11.626 -16.323 51.176 1.00 59.07 O ATOM 405 OE2 GLU A 45 10.151 -16.781 52.699 1.00 55.99 O ATOM 406 H GLU A 45 10.926 -12.171 55.286 1.00 0.00 H ATOM 407 N LEU A 46 14.035 -12.161 52.866 1.00 38.35 N ATOM 408 CA LEU A 46 14.400 -11.253 51.793 1.00 39.66 C ATOM 409 C LEU A 46 14.432 -12.008 50.450 1.00 43.10 C ATOM 410 O LEU A 46 15.024 -13.099 50.363 1.00 41.13 O ATOM 411 CB LEU A 46 15.762 -10.660 52.144 1.00 38.30 C ATOM 412 CG LEU A 46 15.818 -9.947 53.496 1.00 38.48 C ATOM 413 CD1 LEU A 46 17.197 -9.361 53.744 1.00 37.90 C ATOM 414 CD2 LEU A 46 14.751 -8.865 53.589 1.00 39.78 C ATOM 415 H LEU A 46 14.742 -12.849 53.195 1.00 0.00 H ATOM 416 N LYS A 47 13.835 -11.402 49.404 1.00 44.40 N ATOM 417 CA LYS A 47 13.693 -12.099 48.086 1.00 50.06 C ATOM 418 C LYS A 47 14.072 -11.172 46.854 1.00 51.09 C ATOM 419 O LYS A 47 13.172 -10.411 46.471 1.00 53.25 O ATOM 420 CB LYS A 47 12.268 -12.657 47.960 1.00 53.52 C ATOM 421 CG LYS A 47 12.026 -13.879 48.841 1.00 55.78 C ATOM 422 CD LYS A 47 10.579 -14.196 49.109 1.00 59.15 C ATOM 423 CE LYS A 47 9.785 -14.552 47.875 1.00 63.12 C ATOM 424 NZ LYS A 47 8.457 -15.100 48.248 1.00 67.54 N ATOM 425 HZ1 LYS A 47 8.586 -15.956 48.825 1.00 0.00 H ATOM 426 HZ2 LYS A 47 7.931 -14.388 48.794 1.00 0.00 H ATOM 427 HZ3 LYS A 47 7.927 -15.338 47.386 1.00 0.00 H ATOM 428 H LYS A 47 13.467 -10.435 49.514 1.00 0.00 H ATOM 429 N PRO A 48 15.407 -11.074 46.669 1.00 50.66 N ATOM 430 CA PRO A 48 15.943 -10.110 45.693 1.00 52.65 C ATOM 431 C PRO A 48 15.478 -10.532 44.289 1.00 55.65 C ATOM 432 O PRO A 48 15.498 -11.740 43.989 1.00 57.75 O ATOM 433 CB PRO A 48 17.480 -10.156 45.789 1.00 51.53 C ATOM 434 CG PRO A 48 17.778 -11.280 46.763 1.00 51.10 C ATOM 435 CD PRO A 48 16.517 -11.459 47.581 1.00 48.99 C ATOM 436 N THR A 49 15.033 -9.568 43.484 1.00 56.43 N ATOM 437 CA THR A 49 14.658 -9.851 42.099 1.00 60.40 C ATOM 438 C THR A 49 15.919 -9.843 41.215 1.00 62.29 C ATOM 439 O THR A 49 16.966 -9.307 41.602 1.00 62.83 O ATOM 440 CB THR A 49 13.616 -8.858 41.558 1.00 61.03 C ATOM 441 OG1 THR A 49 14.262 -7.599 41.311 1.00 62.54 O ATOM 442 CG2 THR A 49 12.432 -8.651 42.478 1.00 58.32 C ATOM 443 HG1 THR A 49 13.599 -6.952 40.962 1.00 0.00 H ATOM 444 H THR A 49 14.951 -8.597 43.847 1.00 0.00 H ATOM 445 N PRO A 50 15.845 -10.424 40.012 1.00 66.72 N ATOM 446 CA PRO A 50 16.968 -10.447 39.039 1.00 70.57 C ATOM 447 C PRO A 50 17.523 -9.078 38.491 1.00 71.88 C ATOM 448 O PRO A 50 18.722 -8.984 38.223 1.00 72.26 O ATOM 449 CB PRO A 50 16.393 -11.179 37.814 1.00 74.12 C ATOM 450 CG PRO A 50 15.353 -12.097 38.403 1.00 73.22 C ATOM 451 CD PRO A 50 14.763 -11.319 39.561 1.00 69.34 C ATOM 452 N GLU A 51 16.604 -8.066 38.467 1.00 71.16 N ATOM 453 CA GLU A 51 16.912 -6.641 38.185 1.00 70.14 C ATOM 454 C GLU A 51 17.448 -5.910 39.438 1.00 64.44 C ATOM 455 O GLU A 51 17.852 -4.736 39.359 1.00 63.41 O ATOM 456 CB GLU A 51 15.660 -5.915 37.689 1.00 73.91 C ATOM 457 CG GLU A 51 14.890 -6.677 36.625 1.00 80.37 C ATOM 458 CD GLU A 51 13.612 -7.349 37.114 1.00 82.48 C ATOM 459 OE1 GLU A 51 13.582 -7.865 38.253 1.00 81.48 O ATOM 460 OE2 GLU A 51 12.648 -7.379 36.336 1.00 91.04 O ATOM 461 H GLU A 51 15.613 -8.313 38.661 1.00 0.00 H ATOM 462 N GLY A 52 17.431 -6.579 40.581 1.00 58.13 N ATOM 463 CA GLY A 52 18.128 -6.109 41.776 1.00 55.71 C ATOM 464 C GLY A 52 17.259 -5.267 42.701 1.00 53.01 C ATOM 465 O GLY A 52 17.863 -4.561 43.522 1.00 53.30 O ATOM 466 H GLY A 52 16.901 -7.473 40.630 1.00 0.00 H ATOM 467 N ASP A 53 15.917 -5.295 42.577 1.00 52.63 N ATOM 468 CA ASP A 53 14.980 -4.850 43.649 1.00 51.70 C ATOM 469 C ASP A 53 14.871 -5.837 44.826 1.00 49.43 C ATOM 470 O ASP A 53 15.387 -6.931 44.737 1.00 47.88 O ATOM 471 CB ASP A 53 13.576 -4.579 43.128 1.00 53.43 C ATOM 472 CG ASP A 53 13.553 -3.469 42.127 1.00 56.75 C ATOM 473 OD1 ASP A 53 14.381 -2.534 42.319 1.00 56.79 O ATOM 474 OD2 ASP A 53 12.766 -3.526 41.135 1.00 60.82 O ATOM 475 H ASP A 53 15.513 -5.646 41.685 1.00 0.00 H ATOM 476 N LEU A 54 14.197 -5.474 45.917 1.00 50.93 N ATOM 477 CA LEU A 54 14.114 -6.380 47.069 1.00 53.16 C ATOM 478 C LEU A 54 12.656 -6.520 47.534 1.00 54.61 C ATOM 479 O LEU A 54 12.046 -5.570 48.032 1.00 60.30 O ATOM 480 CB LEU A 54 15.022 -5.852 48.189 1.00 50.73 C ATOM 481 CG LEU A 54 15.368 -6.862 49.284 1.00 50.18 C ATOM 482 CD1 LEU A 54 16.231 -7.985 48.728 1.00 54.03 C ATOM 483 CD2 LEU A 54 16.083 -6.176 50.437 1.00 49.99 C ATOM 484 H LEU A 54 13.729 -4.546 45.952 1.00 0.00 H ATOM 485 N GLU A 55 12.103 -7.711 47.379 1.00 54.74 N ATOM 486 CA GLU A 55 10.824 -8.090 47.987 1.00 54.70 C ATOM 487 C GLU A 55 11.109 -8.489 49.445 1.00 49.15 C ATOM 488 O GLU A 55 12.060 -9.263 49.684 1.00 46.63 O ATOM 489 CB GLU A 55 10.174 -9.199 47.150 1.00 60.70 C ATOM 490 CG GLU A 55 8.808 -9.644 47.655 1.00 66.77 C ATOM 491 CD GLU A 55 8.153 -10.814 46.921 1.00 72.04 C ATOM 492 OE1 GLU A 55 8.087 -10.768 45.686 1.00 72.99 O ATOM 493 OE2 GLU A 55 7.680 -11.766 47.596 1.00 76.47 O ATOM 494 H GLU A 55 12.600 -8.414 46.796 1.00 0.00 H ATOM 495 N ILE A 56 10.357 -7.914 50.396 1.00 44.65 N ATOM 496 CA ILE A 56 10.489 -8.224 51.847 1.00 42.08 C ATOM 497 C ILE A 56 9.176 -8.830 52.393 1.00 41.54 C ATOM 498 O ILE A 56 8.096 -8.253 52.285 1.00 40.80 O ATOM 499 CB ILE A 56 10.919 -6.964 52.632 1.00 41.04 C ATOM 500 CG1 ILE A 56 12.235 -6.376 52.097 1.00 42.10 C ATOM 501 CG2 ILE A 56 11.007 -7.258 54.119 1.00 38.71 C ATOM 502 CD1 ILE A 56 12.396 -4.889 52.324 1.00 42.67 C ATOM 503 H ILE A 56 9.644 -7.215 50.105 1.00 0.00 H ATOM 504 N LEU A 57 9.279 -10.018 52.978 1.00 41.29 N ATOM 505 CA LEU A 57 8.217 -10.616 53.773 1.00 43.12 C ATOM 506 C LEU A 57 8.442 -10.276 55.255 1.00 40.27 C ATOM 507 O LEU A 57 9.521 -10.485 55.797 1.00 36.89 O ATOM 508 CB LEU A 57 8.215 -12.136 53.593 1.00 44.81 C ATOM 509 CG LEU A 57 8.084 -12.643 52.160 1.00 48.23 C ATOM 510 CD1 LEU A 57 7.622 -14.094 52.155 1.00 50.59 C ATOM 511 CD2 LEU A 57 7.130 -11.768 51.380 1.00 50.54 C ATOM 512 H LEU A 57 10.166 -10.549 52.862 1.00 0.00 H ATOM 513 N LEU A 58 7.397 -9.800 55.915 1.00 40.93 N ATOM 514 CA LEU A 58 7.524 -9.527 57.339 1.00 41.28 C ATOM 515 C LEU A 58 6.173 -9.692 58.048 1.00 42.54 C ATOM 516 O LEU A 58 5.102 -9.860 57.476 1.00 44.06 O ATOM 517 CB LEU A 58 8.103 -8.120 57.544 1.00 40.28 C ATOM 518 CG LEU A 58 7.332 -6.980 56.879 1.00 43.04 C ATOM 519 CD1 LEU A 58 6.162 -6.519 57.741 1.00 44.51 C ATOM 520 CD2 LEU A 58 8.253 -5.812 56.537 1.00 43.34 C ATOM 521 H LEU A 58 6.498 -9.624 55.423 1.00 0.00 H ATOM 522 N GLN A 59 6.261 -9.652 59.356 1.00 42.34 N ATOM 523 CA GLN A 59 5.068 -9.687 60.148 1.00 49.24 C ATOM 524 C GLN A 59 4.930 -8.345 60.876 1.00 46.71 C ATOM 525 O GLN A 59 5.920 -7.689 61.200 1.00 43.64 O ATOM 526 CB GLN A 59 5.179 -10.906 61.065 1.00 54.76 C ATOM 527 CG GLN A 59 5.150 -12.243 60.333 1.00 61.17 C ATOM 528 CD GLN A 59 6.185 -13.190 60.895 1.00 66.97 C ATOM 529 OE1 GLN A 59 6.304 -13.348 62.132 1.00 73.91 O ATOM 530 NE2 GLN A 59 6.945 -13.841 59.976 1.00 79.19 N ATOM 531 HE22 GLN A 59 6.798 -13.666 58.961 1.00 0.00 H ATOM 532 HE21 GLN A 59 7.674 -14.514 60.287 1.00 0.00 H ATOM 533 H GLN A 59 7.192 -9.595 59.816 1.00 0.00 H ATOM 534 N LYS A 60 3.692 -7.925 61.076 1.00 49.84 N ATOM 535 CA LYS A 60 3.366 -6.731 61.827 1.00 50.98 C ATOM 536 C LYS A 60 2.056 -6.997 62.583 1.00 52.65 C ATOM 537 O LYS A 60 1.126 -7.585 62.042 1.00 56.21 O ATOM 538 CB LYS A 60 3.256 -5.519 60.890 1.00 52.58 C ATOM 539 CG LYS A 60 2.634 -4.285 61.538 1.00 55.55 C ATOM 540 CD LYS A 60 3.150 -2.935 61.051 1.00 56.26 C ATOM 541 CE LYS A 60 3.019 -1.786 62.041 1.00 57.48 C ATOM 542 NZ LYS A 60 2.767 -2.171 63.455 1.00 55.44 N ATOM 543 HZ1 LYS A 60 1.878 -2.707 63.514 1.00 0.00 H ATOM 544 HZ2 LYS A 60 3.552 -2.761 63.798 1.00 0.00 H ATOM 545 HZ3 LYS A 60 2.695 -1.313 64.039 1.00 0.00 H ATOM 546 H LYS A 60 2.912 -8.482 60.673 1.00 0.00 H ATOM 547 N TRP A 61 1.987 -6.538 63.821 1.00 53.77 N ATOM 548 CA TRP A 61 0.785 -6.630 64.653 1.00 56.87 C ATOM 549 C TRP A 61 -0.140 -5.466 64.301 1.00 58.66 C ATOM 550 O TRP A 61 0.242 -4.296 64.407 1.00 56.26 O ATOM 551 CB TRP A 61 1.135 -6.609 66.148 1.00 57.92 C ATOM 552 CG TRP A 61 0.011 -7.021 67.047 1.00 61.15 C ATOM 553 CD1 TRP A 61 -0.998 -6.236 67.531 1.00 64.07 C ATOM 554 CD2 TRP A 61 -0.235 -8.347 67.545 1.00 63.47 C ATOM 555 NE1 TRP A 61 -1.862 -6.982 68.286 1.00 66.13 N ATOM 556 CE2 TRP A 61 -1.424 -8.282 68.305 1.00 66.47 C ATOM 557 CE3 TRP A 61 0.421 -9.576 67.408 1.00 62.60 C ATOM 558 CZ2 TRP A 61 -1.950 -9.406 68.942 1.00 68.56 C ATOM 559 CZ3 TRP A 61 -0.108 -10.684 68.034 1.00 64.26 C ATOM 560 CH2 TRP A 61 -1.280 -10.599 68.786 1.00 66.71 C ATOM 561 HE1 TRP A 61 -2.711 -6.622 68.767 1.00 0.00 H ATOM 562 H TRP A 61 2.832 -6.087 64.226 1.00 0.00 H ATOM 563 N GLU A 62 -1.361 -5.784 63.907 1.00 64.31 N ATOM 564 CA GLU A 62 -2.331 -4.725 63.712 1.00 67.83 C ATOM 565 C GLU A 62 -3.733 -5.255 63.999 1.00 69.88 C ATOM 566 O GLU A 62 -4.069 -6.390 63.671 1.00 68.42 O ATOM 567 CB GLU A 62 -2.238 -4.178 62.291 1.00 70.60 C ATOM 568 CG GLU A 62 -2.590 -5.186 61.216 1.00 73.80 C ATOM 569 CD GLU A 62 -2.192 -4.702 59.833 1.00 77.19 C ATOM 570 OE1 GLU A 62 -1.391 -3.732 59.764 1.00 76.68 O ATOM 571 OE2 GLU A 62 -2.676 -5.293 58.836 1.00 79.97 O ATOM 572 H GLU A 62 -1.621 -6.777 63.740 1.00 0.00 H ATOM 573 N ASN A 63 -4.517 -4.389 64.624 1.00 73.25 N ATOM 574 CA ASN A 63 -5.882 -4.723 65.009 1.00 78.38 C ATOM 575 C ASN A 63 -5.895 -6.115 65.665 1.00 77.51 C ATOM 576 O ASN A 63 -6.565 -7.035 65.189 1.00 77.00 O ATOM 577 CB ASN A 63 -6.814 -4.615 63.798 1.00 82.93 C ATOM 578 CG ASN A 63 -7.149 -3.192 63.401 1.00 86.02 C ATOM 579 OD1 ASN A 63 -6.530 -2.630 62.496 1.00 84.38 O ATOM 580 ND2 ASN A 63 -8.165 -2.625 64.037 1.00 89.56 N ATOM 581 HD22 ASN A 63 -8.657 -3.140 64.795 1.00 0.00 H ATOM 582 HD21 ASN A 63 -8.470 -1.665 63.778 1.00 0.00 H ATOM 583 H ASN A 63 -4.147 -3.443 64.846 1.00 0.00 H ATOM 584 N GLY A 64 -5.076 -6.268 66.709 1.00 75.00 N ATOM 585 CA GLY A 64 -5.152 -7.399 67.636 1.00 74.54 C ATOM 586 C GLY A 64 -4.695 -8.717 67.029 1.00 73.21 C ATOM 587 O GLY A 64 -5.135 -9.769 67.492 1.00 75.87 O ATOM 588 H GLY A 64 -4.346 -5.546 66.872 1.00 0.00 H ATOM 589 N GLU A 65 -3.827 -8.703 66.019 1.00 69.62 N ATOM 590 CA GLU A 65 -3.240 -9.951 65.542 1.00 66.15 C ATOM 591 C GLU A 65 -2.026 -9.696 64.649 1.00 62.01 C ATOM 592 O GLU A 65 -1.834 -8.612 64.107 1.00 63.41 O ATOM 593 CB GLU A 65 -4.245 -10.763 64.734 1.00 70.03 C ATOM 594 CG GLU A 65 -4.828 -10.025 63.556 1.00 72.48 C ATOM 595 CD GLU A 65 -5.620 -10.996 62.703 1.00 77.40 C ATOM 596 OE1 GLU A 65 -6.291 -11.879 63.289 1.00 78.65 O ATOM 597 OE2 GLU A 65 -5.529 -10.884 61.463 1.00 81.24 O ATOM 598 H GLU A 65 -3.567 -7.802 65.570 1.00 0.00 H ATOM 599 N CYS A 66 -1.260 -10.760 64.478 1.00 58.41 N ATOM 600 CA CYS A 66 -0.027 -10.756 63.736 1.00 55.63 C ATOM 601 C CYS A 66 -0.361 -10.953 62.252 1.00 56.70 C ATOM 602 O CYS A 66 -0.877 -11.994 61.883 1.00 60.73 O ATOM 603 CB CYS A 66 0.880 -11.860 64.271 1.00 53.73 C ATOM 604 SG CYS A 66 2.566 -11.818 63.615 1.00 52.19 S ATOM 605 H CYS A 66 -1.568 -11.656 64.907 1.00 0.00 H ATOM 606 N ALA A 67 -0.074 -9.952 61.428 1.00 54.91 N ATOM 607 CA ALA A 67 -0.384 -9.923 60.008 1.00 55.96 C ATOM 608 C ALA A 67 0.908 -10.008 59.200 1.00 53.20 C ATOM 609 O ALA A 67 1.911 -9.421 59.542 1.00 50.37 O ATOM 610 CB ALA A 67 -1.117 -8.654 59.660 1.00 57.85 C ATOM 611 H ALA A 67 0.410 -9.124 61.830 1.00 0.00 H ATOM 612 N GLN A 68 0.837 -10.756 58.125 1.00 55.78 N ATOM 613 CA GLN A 68 1.920 -10.931 57.190 1.00 56.89 C ATOM 614 C GLN A 68 1.806 -9.844 56.122 1.00 56.29 C ATOM 615 O GLN A 68 0.728 -9.605 55.608 1.00 57.70 O ATOM 616 CB GLN A 68 1.851 -12.304 56.525 1.00 60.54 C ATOM 617 CG GLN A 68 1.451 -13.398 57.501 1.00 64.19 C ATOM 618 CD GLN A 68 2.601 -13.944 58.305 1.00 61.31 C ATOM 619 OE1 GLN A 68 3.742 -13.989 57.851 1.00 64.38 O ATOM 620 NE2 GLN A 68 2.268 -14.471 59.474 1.00 63.17 N ATOM 621 HE22 GLN A 68 1.287 -14.406 59.813 1.00 0.00 H ATOM 622 HE21 GLN A 68 2.988 -14.950 60.052 1.00 0.00 H ATOM 623 H GLN A 68 -0.056 -11.254 57.935 1.00 0.00 H ATOM 624 N LYS A 69 2.922 -9.192 55.841 1.00 54.36 N ATOM 625 CA LYS A 69 2.969 -8.107 54.888 1.00 55.85 C ATOM 626 C LYS A 69 4.059 -8.418 53.862 1.00 54.39 C ATOM 627 O LYS A 69 5.051 -9.090 54.173 1.00 50.04 O ATOM 628 CB LYS A 69 3.290 -6.770 55.564 1.00 55.35 C ATOM 629 CG LYS A 69 2.418 -6.385 56.752 1.00 58.50 C ATOM 630 CD LYS A 69 1.612 -5.113 56.561 1.00 62.21 C ATOM 631 CE LYS A 69 0.286 -5.147 57.296 1.00 65.60 C ATOM 632 NZ LYS A 69 -0.807 -4.541 56.499 1.00 70.13 N ATOM 633 HZ1 LYS A 69 -0.575 -3.548 56.293 1.00 0.00 H ATOM 634 HZ2 LYS A 69 -0.916 -5.065 55.607 1.00 0.00 H ATOM 635 HZ3 LYS A 69 -1.694 -4.586 57.039 1.00 0.00 H ATOM 636 H LYS A 69 3.799 -9.471 56.325 1.00 0.00 H ATOM 637 N LYS A 70 3.850 -7.896 52.663 1.00 57.76 N ATOM 638 CA LYS A 70 4.843 -7.972 51.593 1.00 60.86 C ATOM 639 C LYS A 70 5.158 -6.555 51.092 1.00 58.99 C ATOM 640 O LYS A 70 4.254 -5.805 50.750 1.00 61.40 O ATOM 641 CB LYS A 70 4.317 -8.846 50.452 1.00 66.23 C ATOM 642 CG LYS A 70 5.367 -9.324 49.459 1.00 67.68 C ATOM 643 CD LYS A 70 4.797 -9.532 48.083 1.00 75.66 C ATOM 644 CE LYS A 70 3.646 -10.516 48.053 1.00 81.94 C ATOM 645 NZ LYS A 70 4.105 -11.890 47.744 1.00 85.89 N ATOM 646 HZ1 LYS A 70 4.567 -11.899 46.812 1.00 0.00 H ATOM 647 HZ2 LYS A 70 4.781 -12.200 48.471 1.00 0.00 H ATOM 648 HZ3 LYS A 70 3.288 -12.533 47.733 1.00 0.00 H ATOM 649 H LYS A 70 2.947 -7.415 52.476 1.00 0.00 H ATOM 650 N ILE A 71 6.442 -6.220 51.046 1.00 57.64 N ATOM 651 CA ILE A 71 6.943 -4.882 50.742 1.00 58.47 C ATOM 652 C ILE A 71 7.959 -4.987 49.600 1.00 55.89 C ATOM 653 O ILE A 71 8.781 -5.897 49.600 1.00 53.20 O ATOM 654 CB ILE A 71 7.612 -4.225 51.967 1.00 58.01 C ATOM 655 CG1 ILE A 71 6.744 -4.302 53.222 1.00 60.66 C ATOM 656 CG2 ILE A 71 8.007 -2.787 51.662 1.00 60.13 C ATOM 657 CD1 ILE A 71 5.770 -3.155 53.368 1.00 64.50 C ATOM 658 H ILE A 71 7.142 -6.964 51.241 1.00 0.00 H ATOM 659 N ILE A 72 7.913 -4.042 48.670 1.00 54.94 N ATOM 660 CA ILE A 72 8.946 -3.931 47.654 1.00 56.21 C ATOM 661 C ILE A 72 9.812 -2.712 48.010 1.00 53.46 C ATOM 662 O ILE A 72 9.317 -1.577 48.127 1.00 55.80 O ATOM 663 CB ILE A 72 8.355 -3.807 46.236 1.00 59.62 C ATOM 664 CG1 ILE A 72 7.451 -4.988 45.867 1.00 63.60 C ATOM 665 CG2 ILE A 72 9.471 -3.613 45.226 1.00 59.91 C ATOM 666 CD1 ILE A 72 8.160 -6.309 45.624 1.00 63.32 C ATOM 667 H ILE A 72 7.122 -3.367 48.668 1.00 0.00 H ATOM 668 N ALA A 73 11.091 -2.978 48.231 1.00 49.11 N ATOM 669 CA ALA A 73 12.109 -1.965 48.252 1.00 46.89 C ATOM 670 C ALA A 73 12.786 -1.909 46.876 1.00 48.43 C ATOM 671 O ALA A 73 13.442 -2.871 46.463 1.00 46.90 O ATOM 672 CB ALA A 73 13.105 -2.300 49.327 1.00 43.97 C ATOM 673 H ALA A 73 11.371 -3.966 48.397 1.00 0.00 H ATOM 674 N GLU A 74 12.650 -0.780 46.194 1.00 49.99 N ATOM 675 CA GLU A 74 13.290 -0.584 44.920 1.00 53.02 C ATOM 676 C GLU A 74 14.749 -0.123 45.064 1.00 49.78 C ATOM 677 O GLU A 74 15.098 0.734 45.933 1.00 45.22 O ATOM 678 CB GLU A 74 12.536 0.472 44.117 1.00 60.13 C ATOM 679 CG GLU A 74 11.131 0.034 43.788 1.00 66.47 C ATOM 680 CD GLU A 74 10.286 1.158 43.234 1.00 73.42 C ATOM 681 OE1 GLU A 74 10.823 1.990 42.471 1.00 81.54 O ATOM 682 OE2 GLU A 74 9.094 1.183 43.559 1.00 80.96 O ATOM 683 H GLU A 74 12.066 -0.016 46.590 1.00 0.00 H ATOM 684 N LYS A 75 15.559 -0.599 44.098 1.00 50.07 N ATOM 685 CA LYS A 75 16.991 -0.282 44.103 1.00 48.71 C ATOM 686 C LYS A 75 17.169 1.218 43.814 1.00 47.85 C ATOM 687 O LYS A 75 16.232 1.860 43.280 1.00 50.47 O ATOM 688 CB LYS A 75 17.747 -1.129 43.080 1.00 49.59 C ATOM 689 CG LYS A 75 17.436 -0.755 41.640 1.00 52.74 C ATOM 690 CD LYS A 75 18.266 -1.554 40.684 1.00 54.76 C ATOM 691 CE LYS A 75 18.018 -1.174 39.236 1.00 59.12 C ATOM 692 NZ LYS A 75 18.529 -2.216 38.317 1.00 61.43 N ATOM 693 HZ1 LYS A 75 19.553 -2.332 38.461 1.00 0.00 H ATOM 694 HZ2 LYS A 75 18.046 -3.116 38.513 1.00 0.00 H ATOM 695 HZ3 LYS A 75 18.346 -1.930 37.334 1.00 0.00 H ATOM 696 H LYS A 75 15.166 -1.196 43.343 1.00 0.00 H ATOM 697 N THR A 76 18.315 1.772 44.239 1.00 46.30 N ATOM 698 CA THR A 76 18.740 3.105 43.713 1.00 47.97 C ATOM 699 C THR A 76 20.088 2.960 42.972 1.00 48.24 C ATOM 700 O THR A 76 20.632 1.837 42.835 1.00 46.96 O ATOM 701 CB THR A 76 18.729 4.117 44.874 1.00 46.01 C ATOM 702 OG1 THR A 76 19.813 3.810 45.753 1.00 42.84 O ATOM 703 CG2 THR A 76 17.419 4.100 45.633 1.00 44.83 C ATOM 704 HG1 THR A 76 19.702 2.891 46.104 1.00 0.00 H ATOM 705 H THR A 76 18.907 1.274 44.934 1.00 0.00 H ATOM 706 N LYS A 77 20.695 4.101 42.634 1.00 50.66 N ATOM 707 CA LYS A 77 22.079 4.164 42.119 1.00 52.77 C ATOM 708 C LYS A 77 23.120 3.817 43.199 1.00 50.17 C ATOM 709 O LYS A 77 24.311 3.641 42.903 1.00 51.50 O ATOM 710 CB LYS A 77 22.363 5.554 41.552 1.00 55.63 C ATOM 711 CG LYS A 77 21.596 5.885 40.281 1.00 60.21 C ATOM 712 CD LYS A 77 21.936 7.248 39.725 1.00 64.70 C ATOM 713 CE LYS A 77 21.545 8.436 40.587 1.00 65.52 C ATOM 714 NZ LYS A 77 21.756 9.708 39.846 1.00 70.63 N ATOM 715 HZ1 LYS A 77 22.759 9.794 39.586 1.00 0.00 H ATOM 716 HZ2 LYS A 77 21.172 9.707 38.985 1.00 0.00 H ATOM 717 HZ3 LYS A 77 21.484 10.509 40.450 1.00 0.00 H ATOM 718 H LYS A 77 20.167 4.991 42.739 1.00 0.00 H ATOM 719 N ILE A 78 22.716 3.724 44.454 1.00 46.50 N ATOM 720 CA ILE A 78 23.649 3.301 45.471 1.00 45.18 C ATOM 721 C ILE A 78 23.310 1.858 45.823 1.00 43.06 C ATOM 722 O ILE A 78 22.238 1.604 46.340 1.00 41.73 O ATOM 723 CB ILE A 78 23.550 4.207 46.714 1.00 44.69 C ATOM 724 CG1 ILE A 78 23.899 5.661 46.383 1.00 49.08 C ATOM 725 CG2 ILE A 78 24.375 3.638 47.874 1.00 43.49 C ATOM 726 CD1 ILE A 78 23.518 6.635 47.496 1.00 49.51 C ATOM 727 H ILE A 78 21.734 3.954 44.707 1.00 0.00 H ATOM 728 N PRO A 79 24.247 0.939 45.636 1.00 43.75 N ATOM 729 CA PRO A 79 23.962 -0.480 45.906 1.00 42.78 C ATOM 730 C PRO A 79 23.388 -0.767 47.304 1.00 39.34 C ATOM 731 O PRO A 79 22.619 -1.693 47.480 1.00 37.17 O ATOM 732 CB PRO A 79 25.341 -1.132 45.767 1.00 43.94 C ATOM 733 CG PRO A 79 26.010 -0.262 44.740 1.00 47.09 C ATOM 734 CD PRO A 79 25.609 1.136 45.160 1.00 46.54 C ATOM 735 N ALA A 80 23.729 0.053 48.289 1.00 38.96 N ATOM 736 CA ALA A 80 23.332 -0.234 49.669 1.00 36.87 C ATOM 737 C ALA A 80 22.022 0.460 50.076 1.00 35.55 C ATOM 738 O ALA A 80 21.677 0.403 51.235 1.00 33.85 O ATOM 739 CB ALA A 80 24.465 0.194 50.575 1.00 37.26 C ATOM 740 H ALA A 80 24.283 0.908 48.079 1.00 0.00 H ATOM 741 N VAL A 81 21.318 1.149 49.188 1.00 37.53 N ATOM 742 CA VAL A 81 20.226 2.028 49.578 1.00 37.56 C ATOM 743 C VAL A 81 19.030 1.731 48.677 1.00 39.32 C ATOM 744 O VAL A 81 19.180 1.760 47.457 1.00 41.30 O ATOM 745 CB VAL A 81 20.662 3.503 49.500 1.00 39.52 C ATOM 746 CG1 VAL A 81 19.501 4.471 49.680 1.00 40.70 C ATOM 747 CG2 VAL A 81 21.756 3.803 50.519 1.00 39.14 C ATOM 748 H VAL A 81 21.554 1.058 48.179 1.00 0.00 H ATOM 749 N PHE A 82 17.888 1.434 49.286 1.00 38.51 N ATOM 750 CA PHE A 82 16.631 1.085 48.588 1.00 39.77 C ATOM 751 C PHE A 82 15.529 2.052 49.038 1.00 42.46 C ATOM 752 O PHE A 82 15.653 2.716 50.090 1.00 40.53 O ATOM 753 CB PHE A 82 16.255 -0.376 48.836 1.00 37.76 C ATOM 754 CG PHE A 82 17.274 -1.375 48.346 1.00 38.76 C ATOM 755 CD1 PHE A 82 18.439 -1.625 49.057 1.00 38.22 C ATOM 756 CD2 PHE A 82 17.096 -2.036 47.135 1.00 40.60 C ATOM 757 CE1 PHE A 82 19.392 -2.506 48.565 1.00 39.74 C ATOM 758 CE2 PHE A 82 18.038 -2.940 46.664 1.00 41.05 C ATOM 759 CZ PHE A 82 19.213 -3.132 47.349 1.00 39.90 C ATOM 760 H PHE A 82 17.876 1.448 50.326 1.00 0.00 H ATOM 761 N LYS A 83 14.497 2.190 48.221 1.00 45.84 N ATOM 762 CA LYS A 83 13.354 3.058 48.495 1.00 51.17 C ATOM 763 C LYS A 83 12.088 2.203 48.608 1.00 53.32 C ATOM 764 O LYS A 83 11.873 1.364 47.735 1.00 52.83 O ATOM 765 CB LYS A 83 13.125 4.062 47.369 1.00 55.87 C ATOM 766 CG LYS A 83 13.938 5.337 47.473 1.00 59.41 C ATOM 767 CD LYS A 83 13.315 6.440 46.654 1.00 64.65 C ATOM 768 CE LYS A 83 14.233 7.631 46.487 1.00 67.38 C ATOM 769 NZ LYS A 83 13.476 8.906 46.382 1.00 71.13 N ATOM 770 HZ1 LYS A 83 12.843 8.865 45.558 1.00 0.00 H ATOM 771 HZ2 LYS A 83 12.914 9.046 47.246 1.00 0.00 H ATOM 772 HZ3 LYS A 83 14.143 9.696 46.269 1.00 0.00 H ATOM 773 H LYS A 83 14.500 1.649 47.333 1.00 0.00 H ATOM 774 N ILE A 84 11.238 2.488 49.592 1.00 56.81 N ATOM 775 CA ILE A 84 10.163 1.579 50.015 1.00 64.24 C ATOM 776 C ILE A 84 8.959 1.741 49.088 1.00 73.65 C ATOM 777 O ILE A 84 8.087 0.875 49.112 1.00 84.89 O ATOM 778 CB ILE A 84 9.716 1.803 51.479 1.00 63.77 C ATOM 779 CG1 ILE A 84 10.668 1.165 52.493 1.00 62.19 C ATOM 780 CG2 ILE A 84 8.284 1.329 51.705 1.00 64.50 C ATOM 781 CD1 ILE A 84 10.881 -0.316 52.288 1.00 62.18 C ATOM 782 H ILE A 84 11.339 3.398 50.085 1.00 0.00 H ATOM 783 N ASP A 85 8.861 2.823 48.328 1.00 82.07 N ATOM 784 CA ASP A 85 7.817 2.932 47.275 1.00 90.75 C ATOM 785 C ASP A 85 6.440 3.420 47.803 1.00 94.68 C ATOM 786 O ASP A 85 5.571 3.827 47.016 1.00107.17 O ATOM 787 CB ASP A 85 7.662 1.611 46.472 1.00 92.22 C ATOM 788 CG ASP A 85 6.624 1.717 45.321 1.00100.91 C ATOM 789 OD1 ASP A 85 6.087 2.820 45.052 1.00105.76 O ATOM 790 OD2 ASP A 85 6.321 0.693 44.655 1.00101.21 O ATOM 791 H ASP A 85 9.526 3.610 48.471 1.00 0.00 H ATOM 792 N ALA A 86 6.276 3.431 49.124 1.00 89.13 N ATOM 793 CA ALA A 86 5.093 3.901 49.821 1.00 87.41 C ATOM 794 C ALA A 86 5.015 5.431 49.776 1.00 91.10 C ATOM 795 O ALA A 86 5.876 6.076 49.184 1.00 90.91 O ATOM 796 CB ALA A 86 5.169 3.415 51.244 1.00 85.76 C ATOM 797 H ALA A 86 7.061 3.073 49.705 1.00 0.00 H ATOM 798 N LEU A 87 4.009 6.005 50.436 1.00 97.22 N ATOM 799 CA LEU A 87 3.685 7.441 50.331 1.00107.28 C ATOM 800 C LEU A 87 4.832 8.304 50.867 1.00110.08 C ATOM 801 O LEU A 87 5.263 9.283 50.251 1.00113.58 O ATOM 802 CB LEU A 87 2.405 7.700 51.132 1.00109.65 C ATOM 803 CG LEU A 87 1.846 9.121 51.110 1.00112.18 C ATOM 804 CD1 LEU A 87 0.470 9.113 51.742 1.00116.47 C ATOM 805 CD2 LEU A 87 2.736 10.120 51.833 1.00109.69 C ATOM 806 H LEU A 87 3.423 5.411 51.056 1.00 0.00 H ATOM 807 N ASN A 88 5.256 7.944 52.067 1.00111.95 N ATOM 808 CA ASN A 88 6.411 8.513 52.730 1.00113.59 C ATOM 809 C ASN A 88 7.650 8.130 51.911 1.00109.78 C ATOM 810 O ASN A 88 7.776 6.974 51.512 1.00111.11 O ATOM 811 CB ASN A 88 6.417 8.000 54.175 1.00117.17 C ATOM 812 CG ASN A 88 7.422 8.633 55.118 1.00120.49 C ATOM 813 OD1 ASN A 88 8.631 8.442 54.983 1.00124.18 O ATOM 814 ND2 ASN A 88 6.919 9.300 56.148 1.00120.18 N ATOM 815 HD22 ASN A 88 5.891 9.440 56.225 1.00 0.00 H ATOM 816 HD21 ASN A 88 7.552 9.683 56.879 1.00 0.00 H ATOM 817 H ASN A 88 4.725 7.203 52.568 1.00 0.00 H ATOM 818 N GLU A 89 8.557 9.073 51.662 1.00106.59 N ATOM 819 CA GLU A 89 9.809 8.796 50.938 1.00102.53 C ATOM 820 C GLU A 89 10.778 7.966 51.797 1.00 91.56 C ATOM 821 O GLU A 89 11.826 8.480 52.200 1.00 93.88 O ATOM 822 CB GLU A 89 10.463 10.120 50.534 1.00106.32 C ATOM 823 CG GLU A 89 9.673 10.932 49.526 1.00112.03 C ATOM 824 CD GLU A 89 9.450 10.233 48.196 1.00116.92 C ATOM 825 OE1 GLU A 89 10.301 9.396 47.830 1.00115.88 O ATOM 826 OE2 GLU A 89 8.433 10.532 47.525 1.00121.29 O ATOM 827 H GLU A 89 8.374 10.042 51.992 1.00 0.00 H ATOM 828 N ASN A 90 10.467 6.688 52.030 1.00 80.14 N ATOM 829 CA ASN A 90 11.161 5.883 53.041 1.00 73.74 C ATOM 830 C ASN A 90 12.380 5.172 52.443 1.00 63.86 C ATOM 831 O ASN A 90 12.249 4.367 51.529 1.00 62.18 O ATOM 832 CB ASN A 90 10.259 4.813 53.665 1.00 77.50 C ATOM 833 CG ASN A 90 9.839 5.106 55.090 1.00 79.79 C ATOM 834 OD1 ASN A 90 9.683 4.182 55.886 1.00 83.21 O ATOM 835 ND2 ASN A 90 9.648 6.373 55.421 1.00 83.40 N ATOM 836 HD22 ASN A 90 9.792 7.122 54.714 1.00 0.00 H ATOM 837 HD21 ASN A 90 9.354 6.619 56.388 1.00 0.00 H ATOM 838 H ASN A 90 9.706 6.248 51.475 1.00 0.00 H ATOM 839 N LYS A 91 13.554 5.431 52.997 1.00 54.95 N ATOM 840 CA LYS A 91 14.779 4.840 52.488 1.00 51.01 C ATOM 841 C LYS A 91 15.308 3.770 53.451 1.00 45.41 C ATOM 842 O LYS A 91 15.332 3.962 54.693 1.00 39.83 O ATOM 843 CB LYS A 91 15.843 5.920 52.297 1.00 53.99 C ATOM 844 CG LYS A 91 15.782 6.660 50.970 1.00 60.29 C ATOM 845 CD LYS A 91 17.130 7.195 50.532 1.00 63.04 C ATOM 846 CE LYS A 91 17.918 7.831 51.658 1.00 64.75 C ATOM 847 NZ LYS A 91 18.827 6.867 52.321 1.00 64.38 N ATOM 848 HZ1 LYS A 91 18.270 6.084 52.719 1.00 0.00 H ATOM 849 HZ2 LYS A 91 19.503 6.494 51.624 1.00 0.00 H ATOM 850 HZ3 LYS A 91 19.344 7.349 53.084 1.00 0.00 H ATOM 851 H LYS A 91 13.600 6.072 53.815 1.00 0.00 H ATOM 852 N VAL A 92 15.800 2.690 52.851 1.00 39.30 N ATOM 853 CA VAL A 92 16.382 1.590 53.580 1.00 37.24 C ATOM 854 C VAL A 92 17.865 1.542 53.224 1.00 36.67 C ATOM 855 O VAL A 92 18.198 1.524 52.052 1.00 36.87 O ATOM 856 CB VAL A 92 15.663 0.265 53.264 1.00 37.25 C ATOM 857 CG1 VAL A 92 16.349 -0.967 53.821 1.00 35.50 C ATOM 858 CG2 VAL A 92 14.231 0.311 53.750 1.00 38.82 C ATOM 859 H VAL A 92 15.764 2.636 51.813 1.00 0.00 H ATOM 860 N LEU A 93 18.736 1.482 54.233 1.00 35.81 N ATOM 861 CA LEU A 93 20.196 1.475 54.048 1.00 36.26 C ATOM 862 C LEU A 93 20.753 0.222 54.716 1.00 34.79 C ATOM 863 O LEU A 93 20.476 -0.039 55.907 1.00 31.80 O ATOM 864 CB LEU A 93 20.853 2.698 54.694 1.00 39.56 C ATOM 865 CG LEU A 93 20.363 4.064 54.218 1.00 43.80 C ATOM 866 CD1 LEU A 93 19.271 4.589 55.139 1.00 44.28 C ATOM 867 CD2 LEU A 93 21.520 5.054 54.131 1.00 45.25 C ATOM 868 H LEU A 93 18.363 1.438 55.203 1.00 0.00 H ATOM 869 N VAL A 94 21.589 -0.489 53.976 1.00 33.13 N ATOM 870 CA VAL A 94 22.294 -1.626 54.508 1.00 32.48 C ATOM 871 C VAL A 94 23.638 -1.142 55.063 1.00 34.12 C ATOM 872 O VAL A 94 24.497 -0.741 54.264 1.00 34.55 O ATOM 873 CB VAL A 94 22.492 -2.699 53.427 1.00 33.84 C ATOM 874 CG1 VAL A 94 23.258 -3.896 53.963 1.00 34.24 C ATOM 875 CG2 VAL A 94 21.151 -3.134 52.844 1.00 34.60 C ATOM 876 H VAL A 94 21.741 -0.219 52.983 1.00 0.00 H ATOM 877 N LEU A 95 23.826 -1.246 56.387 1.00 31.41 N ATOM 878 CA LEU A 95 25.010 -0.696 57.043 1.00 33.79 C ATOM 879 C LEU A 95 26.198 -1.645 56.887 1.00 34.57 C ATOM 880 O LEU A 95 27.334 -1.195 56.737 1.00 34.49 O ATOM 881 CB LEU A 95 24.764 -0.479 58.547 1.00 34.00 C ATOM 882 CG LEU A 95 24.227 0.904 58.922 1.00 35.60 C ATOM 883 CD1 LEU A 95 22.923 1.214 58.204 1.00 36.82 C ATOM 884 CD2 LEU A 95 24.056 1.045 60.422 1.00 34.88 C ATOM 885 H LEU A 95 23.109 -1.732 56.963 1.00 0.00 H ATOM 886 N ASP A 96 25.894 -2.942 57.007 1.00 34.51 N ATOM 887 CA ASP A 96 26.916 -3.969 57.209 1.00 36.51 C ATOM 888 C ASP A 96 26.251 -5.328 57.150 1.00 34.60 C ATOM 889 O ASP A 96 25.116 -5.523 57.609 1.00 34.42 O ATOM 890 CB ASP A 96 27.660 -3.746 58.548 1.00 39.25 C ATOM 891 CG ASP A 96 28.872 -4.680 58.732 1.00 41.56 C ATOM 892 OD1 ASP A 96 29.389 -5.173 57.732 1.00 45.32 O ATOM 893 OD2 ASP A 96 29.347 -4.893 59.856 1.00 41.50 O ATOM 894 H ASP A 96 24.896 -3.230 56.955 1.00 0.00 H ATOM 895 N THR A 97 26.923 -6.269 56.515 1.00 35.74 N ATOM 896 CA THR A 97 26.442 -7.667 56.492 1.00 34.71 C ATOM 897 C THR A 97 27.589 -8.621 56.144 1.00 38.03 C ATOM 898 O THR A 97 28.500 -8.275 55.374 1.00 38.14 O ATOM 899 CB THR A 97 25.307 -7.888 55.494 1.00 33.29 C ATOM 900 OG1 THR A 97 24.908 -9.249 55.629 1.00 32.58 O ATOM 901 CG2 THR A 97 25.694 -7.647 54.049 1.00 36.61 C ATOM 902 HG1 THR A 97 24.601 -9.411 56.556 1.00 0.00 H ATOM 903 H THR A 97 27.806 -6.024 56.023 1.00 0.00 H ATOM 904 N ASP A 98 27.544 -9.831 56.698 1.00 37.49 N ATOM 905 CA ASP A 98 28.491 -10.854 56.272 1.00 39.24 C ATOM 906 C ASP A 98 27.776 -11.953 55.493 1.00 39.40 C ATOM 907 O ASP A 98 28.392 -12.969 55.241 1.00 41.69 O ATOM 908 CB ASP A 98 29.255 -11.431 57.454 1.00 40.00 C ATOM 909 CG ASP A 98 28.377 -12.318 58.308 1.00 38.95 C ATOM 910 OD1 ASP A 98 27.141 -12.329 58.104 1.00 36.00 O ATOM 911 OD2 ASP A 98 28.963 -12.988 59.154 1.00 40.66 O ATOM 912 H ASP A 98 26.837 -10.045 57.430 1.00 0.00 H ATOM 913 N TYR A 99 26.511 -11.731 55.125 1.00 38.31 N ATOM 914 CA TYR A 99 25.649 -12.633 54.316 1.00 40.40 C ATOM 915 C TYR A 99 25.211 -13.900 55.082 1.00 40.61 C ATOM 916 O TYR A 99 24.044 -14.284 54.995 1.00 39.68 O ATOM 917 CB TYR A 99 26.341 -13.001 53.001 1.00 42.99 C ATOM 918 CG TYR A 99 26.683 -11.774 52.193 1.00 44.16 C ATOM 919 CD1 TYR A 99 25.684 -10.915 51.760 1.00 42.99 C ATOM 920 CD2 TYR A 99 28.000 -11.428 51.926 1.00 46.49 C ATOM 921 CE1 TYR A 99 25.989 -9.766 51.044 1.00 44.85 C ATOM 922 CE2 TYR A 99 28.322 -10.279 51.219 1.00 46.38 C ATOM 923 CZ TYR A 99 27.308 -9.447 50.774 1.00 45.92 C ATOM 924 OH TYR A 99 27.578 -8.337 50.029 1.00 50.57 O ATOM 925 HH TYR A 99 28.162 -7.728 50.546 1.00 0.00 H ATOM 926 H TYR A 99 26.085 -10.835 55.437 1.00 0.00 H ATOM 927 N LYS A 100 26.127 -14.553 55.784 1.00 42.42 N ATOM 928 CA LYS A 100 25.903 -15.887 56.313 1.00 48.09 C ATOM 929 C LYS A 100 25.466 -15.848 57.789 1.00 45.77 C ATOM 930 O LYS A 100 24.949 -16.855 58.251 1.00 43.39 O ATOM 931 CB LYS A 100 27.186 -16.707 56.138 1.00 56.18 C ATOM 932 CG LYS A 100 28.243 -16.461 57.204 1.00 63.55 C ATOM 933 CD LYS A 100 29.654 -16.763 56.725 1.00 73.47 C ATOM 934 CE LYS A 100 30.692 -16.218 57.684 1.00 76.81 C ATOM 935 NZ LYS A 100 30.699 -17.003 58.941 1.00 78.09 N ATOM 936 HZ1 LYS A 100 29.762 -16.947 59.389 1.00 0.00 H ATOM 937 HZ2 LYS A 100 30.924 -17.996 58.727 1.00 0.00 H ATOM 938 HZ3 LYS A 100 31.416 -16.615 59.586 1.00 0.00 H ATOM 939 H LYS A 100 27.042 -14.092 55.963 1.00 0.00 H ATOM 940 N LYS A 101 25.625 -14.714 58.492 1.00 44.35 N ATOM 941 CA LYS A 101 25.298 -14.573 59.939 1.00 45.77 C ATOM 942 C LYS A 101 24.415 -13.343 60.222 1.00 41.74 C ATOM 943 O LYS A 101 23.317 -13.511 60.767 1.00 39.11 O ATOM 944 CB LYS A 101 26.592 -14.523 60.757 1.00 48.88 C ATOM 945 CG LYS A 101 26.819 -15.749 61.625 1.00 54.82 C ATOM 946 CD LYS A 101 28.255 -16.158 61.763 1.00 60.40 C ATOM 947 CE LYS A 101 29.003 -15.355 62.805 1.00 63.91 C ATOM 948 NZ LYS A 101 30.390 -15.866 62.942 1.00 71.11 N ATOM 949 HZ1 LYS A 101 30.363 -16.864 63.233 1.00 0.00 H ATOM 950 HZ2 LYS A 101 30.881 -15.783 62.029 1.00 0.00 H ATOM 951 HZ3 LYS A 101 30.895 -15.308 63.660 1.00 0.00 H ATOM 952 H LYS A 101 26.000 -13.881 57.994 1.00 0.00 H ATOM 953 N TYR A 102 24.866 -12.124 59.898 1.00 36.45 N ATOM 954 CA TYR A 102 24.144 -10.941 60.338 1.00 32.85 C ATOM 955 C TYR A 102 24.028 -9.908 59.223 1.00 32.07 C ATOM 956 O TYR A 102 24.803 -9.916 58.257 1.00 32.26 O ATOM 957 CB TYR A 102 24.849 -10.316 61.541 1.00 33.53 C ATOM 958 CG TYR A 102 26.129 -9.618 61.193 1.00 34.76 C ATOM 959 CD1 TYR A 102 27.311 -10.332 61.115 1.00 36.77 C ATOM 960 CD2 TYR A 102 26.131 -8.266 60.856 1.00 35.39 C ATOM 961 CE1 TYR A 102 28.485 -9.716 60.709 1.00 38.93 C ATOM 962 CE2 TYR A 102 27.298 -7.633 60.467 1.00 35.78 C ATOM 963 CZ TYR A 102 28.470 -8.368 60.386 1.00 38.10 C ATOM 964 OH TYR A 102 29.635 -7.759 60.034 1.00 38.47 O ATOM 965 HH TYR A 102 29.845 -7.047 60.689 1.00 0.00 H ATOM 966 H TYR A 102 25.733 -12.024 59.332 1.00 0.00 H ATOM 967 N LEU A 103 23.019 -9.064 59.364 1.00 30.60 N ATOM 968 CA LEU A 103 22.807 -7.900 58.499 1.00 30.74 C ATOM 969 C LEU A 103 22.287 -6.785 59.391 1.00 29.18 C ATOM 970 O LEU A 103 21.344 -6.998 60.143 1.00 29.19 O ATOM 971 CB LEU A 103 21.784 -8.187 57.387 1.00 30.73 C ATOM 972 CG LEU A 103 21.617 -7.075 56.336 1.00 32.22 C ATOM 973 CD1 LEU A 103 21.355 -7.629 54.938 1.00 34.54 C ATOM 974 CD2 LEU A 103 20.465 -6.145 56.703 1.00 31.93 C ATOM 975 H LEU A 103 22.338 -9.236 60.131 1.00 0.00 H ATOM 976 N LEU A 104 22.892 -5.616 59.297 1.00 30.11 N ATOM 977 CA LEU A 104 22.400 -4.437 60.015 1.00 28.70 C ATOM 978 C LEU A 104 21.821 -3.474 58.992 1.00 29.41 C ATOM 979 O LEU A 104 22.550 -3.165 58.030 1.00 29.21 O ATOM 980 CB LEU A 104 23.542 -3.717 60.728 1.00 30.08 C ATOM 981 CG LEU A 104 24.510 -4.569 61.533 1.00 30.89 C ATOM 982 CD1 LEU A 104 25.570 -3.676 62.161 1.00 32.18 C ATOM 983 CD2 LEU A 104 23.764 -5.350 62.607 1.00 32.64 C ATOM 984 H LEU A 104 23.738 -5.529 58.699 1.00 0.00 H ATOM 985 N PHE A 105 20.591 -2.995 59.219 1.00 28.41 N ATOM 986 CA PHE A 105 19.978 -1.978 58.358 1.00 28.59 C ATOM 987 C PHE A 105 19.217 -0.925 59.182 1.00 29.28 C ATOM 988 O PHE A 105 18.691 -1.163 60.297 1.00 27.44 O ATOM 989 CB PHE A 105 19.019 -2.585 57.329 1.00 29.89 C ATOM 990 CG PHE A 105 17.683 -2.992 57.890 1.00 28.96 C ATOM 991 CD1 PHE A 105 16.640 -2.078 57.938 1.00 30.47 C ATOM 992 CD2 PHE A 105 17.470 -4.271 58.392 1.00 27.45 C ATOM 993 CE1 PHE A 105 15.406 -2.456 58.464 1.00 31.94 C ATOM 994 CE2 PHE A 105 16.231 -4.640 58.897 1.00 26.58 C ATOM 995 CZ PHE A 105 15.202 -3.735 58.948 1.00 27.83 C ATOM 996 H PHE A 105 20.053 -3.356 60.032 1.00 0.00 H ATOM 997 N CYS A 106 19.114 0.246 58.575 1.00 29.06 N ATOM 998 CA CYS A 106 18.293 1.331 59.091 1.00 31.68 C ATOM 999 C CYS A 106 17.280 1.737 58.019 1.00 33.75 C ATOM 1000 O CYS A 106 17.496 1.493 56.850 1.00 34.91 O ATOM 1001 CB CYS A 106 19.125 2.541 59.479 1.00 31.87 C ATOM 1002 SG CYS A 106 20.331 2.134 60.768 1.00 32.35 S ATOM 1003 H CYS A 106 19.642 0.397 57.692 1.00 0.00 H ATOM 1004 N MET A 107 16.166 2.278 58.453 1.00 35.31 N ATOM 1005 CA MET A 107 15.186 2.854 57.574 1.00 39.61 C ATOM 1006 C MET A 107 14.886 4.263 58.097 1.00 42.84 C ATOM 1007 O MET A 107 14.665 4.469 59.294 1.00 38.17 O ATOM 1008 CB MET A 107 13.912 2.007 57.496 1.00 42.26 C ATOM 1009 CG MET A 107 13.373 1.498 58.804 1.00 47.66 C ATOM 1010 SD MET A 107 12.152 0.130 58.681 1.00 55.44 S ATOM 1011 CE MET A 107 12.432 -0.677 60.257 1.00 53.71 C ATOM 1012 H MET A 107 15.985 2.290 59.477 1.00 0.00 H ATOM 1013 N GLU A 108 14.925 5.245 57.217 1.00 46.02 N ATOM 1014 CA GLU A 108 14.657 6.630 57.602 1.00 54.76 C ATOM 1015 C GLU A 108 13.632 7.261 56.661 1.00 60.98 C ATOM 1016 O GLU A 108 13.507 6.807 55.536 1.00 60.79 O ATOM 1017 CB GLU A 108 15.919 7.496 57.566 1.00 57.07 C ATOM 1018 CG GLU A 108 16.735 7.373 56.305 1.00 59.02 C ATOM 1019 CD GLU A 108 17.949 8.279 56.299 1.00 63.51 C ATOM 1020 OE1 GLU A 108 18.714 8.232 57.288 1.00 60.64 O ATOM 1021 OE2 GLU A 108 18.143 8.977 55.279 1.00 62.61 O ATOM 1022 H GLU A 108 15.152 5.029 56.225 1.00 0.00 H ATOM 1023 N ASN A 109 12.976 8.310 57.154 1.00 72.40 N ATOM 1024 CA ASN A 109 12.117 9.232 56.397 1.00 87.11 C ATOM 1025 C ASN A 109 12.972 10.245 55.623 1.00 93.34 C ATOM 1026 O ASN A 109 14.066 10.595 56.068 1.00 92.53 O ATOM 1027 CB ASN A 109 11.162 10.015 57.303 1.00 96.71 C ATOM 1028 CG ASN A 109 10.017 9.204 57.878 1.00101.98 C ATOM 1029 OD1 ASN A 109 8.892 9.699 57.949 1.00104.55 O ATOM 1030 ND2 ASN A 109 10.287 7.981 58.313 1.00101.19 N ATOM 1031 HD22 ASN A 109 11.252 7.602 58.233 1.00 0.00 H ATOM 1032 HD21 ASN A 109 9.534 7.401 58.734 1.00 0.00 H ATOM 1033 H ASN A 109 13.082 8.495 58.172 1.00 0.00 H ATOM 1034 N SER A 110 12.443 10.777 54.519 1.00103.83 N ATOM 1035 CA SER A 110 13.234 11.571 53.558 1.00108.69 C ATOM 1036 C SER A 110 13.660 12.927 54.146 1.00115.64 C ATOM 1037 O SER A 110 14.753 13.392 53.812 1.00122.35 O ATOM 1038 CB SER A 110 12.491 11.763 52.257 1.00112.28 C ATOM 1039 OG SER A 110 12.194 13.134 52.008 1.00118.70 O ATOM 1040 HG SER A 110 13.038 13.650 51.961 1.00 0.00 H ATOM 1041 H SER A 110 11.432 10.626 54.328 1.00 0.00 H ATOM 1042 N ALA A 111 12.832 13.586 54.964 1.00119.95 N ATOM 1043 CA ALA A 111 13.227 14.847 55.633 1.00123.64 C ATOM 1044 C ALA A 111 12.143 15.274 56.634 1.00127.03 C ATOM 1045 O ALA A 111 10.978 14.979 56.379 1.00127.87 O ATOM 1046 CB ALA A 111 13.483 15.931 54.608 1.00125.10 C ATOM 1047 H ALA A 111 11.881 13.201 55.136 1.00 0.00 H ATOM 1048 N GLU A 112 12.499 15.909 57.764 1.00132.25 N ATOM 1049 CA GLU A 112 11.517 16.698 58.555 1.00137.26 C ATOM 1050 C GLU A 112 11.890 16.983 60.024 1.00142.63 C ATOM 1051 O GLU A 112 11.308 16.344 60.907 1.00144.15 O ATOM 1052 CB GLU A 112 10.170 15.971 58.636 1.00133.60 C ATOM 1053 CG GLU A 112 10.266 14.522 59.101 1.00122.64 C ATOM 1054 CD GLU A 112 9.260 14.128 60.169 1.00117.83 C ATOM 1055 OE1 GLU A 112 9.184 14.821 61.205 1.00115.46 O ATOM 1056 OE2 GLU A 112 8.544 13.133 59.955 1.00112.00 O ATOM 1057 H GLU A 112 13.484 15.847 58.093 1.00 0.00 H ATOM 1058 N PRO A 113 12.815 17.886 60.373 1.00142.87 N ATOM 1059 CA PRO A 113 14.167 17.984 59.836 1.00139.87 C ATOM 1060 C PRO A 113 14.932 16.864 60.569 1.00136.59 C ATOM 1061 O PRO A 113 15.436 15.921 59.940 1.00131.03 O ATOM 1062 CB PRO A 113 14.659 19.414 60.130 1.00139.71 C ATOM 1063 CG PRO A 113 13.539 20.076 60.902 1.00141.63 C ATOM 1064 CD PRO A 113 12.307 19.239 60.629 1.00142.46 C ATOM 1065 N GLU A 114 14.956 16.926 61.903 1.00134.31 N ATOM 1066 CA GLU A 114 15.208 15.719 62.701 1.00126.56 C ATOM 1067 C GLU A 114 13.980 14.818 62.504 1.00120.51 C ATOM 1068 O GLU A 114 12.846 15.293 62.601 1.00120.07 O ATOM 1069 CB GLU A 114 15.545 16.085 64.155 1.00127.41 C ATOM 1070 CG GLU A 114 14.366 16.231 65.105 1.00126.00 C ATOM 1071 CD GLU A 114 13.612 17.547 64.996 1.00125.76 C ATOM 1072 OE1 GLU A 114 13.234 17.917 63.865 1.00124.71 O ATOM 1073 OE2 GLU A 114 13.412 18.202 66.041 1.00124.04 O ATOM 1074 H GLU A 114 14.795 17.836 62.380 1.00 0.00 H ATOM 1075 N GLN A 115 14.198 13.541 62.190 1.00111.03 N ATOM 1076 CA GLN A 115 13.114 12.713 61.651 1.00102.81 C ATOM 1077 C GLN A 115 13.103 11.310 62.273 1.00 89.16 C ATOM 1078 O GLN A 115 13.909 11.014 63.150 1.00 88.31 O ATOM 1079 CB GLN A 115 13.270 12.635 60.137 1.00102.50 C ATOM 1080 CG GLN A 115 14.603 12.047 59.720 1.00100.88 C ATOM 1081 CD GLN A 115 14.837 12.375 58.271 1.00104.48 C ATOM 1082 OE1 GLN A 115 13.953 12.905 57.602 1.00104.83 O ATOM 1083 NE2 GLN A 115 16.028 12.058 57.793 1.00103.71 N ATOM 1084 HE22 GLN A 115 16.734 11.610 58.411 1.00 0.00 H ATOM 1085 HE21 GLN A 115 16.259 12.256 56.798 1.00 0.00 H ATOM 1086 H GLN A 115 15.143 13.129 62.328 1.00 0.00 H ATOM 1087 N SER A 116 12.157 10.477 61.830 1.00 76.40 N ATOM 1088 CA SER A 116 12.054 9.101 62.307 1.00 68.12 C ATOM 1089 C SER A 116 13.188 8.269 61.688 1.00 60.09 C ATOM 1090 O SER A 116 13.567 8.468 60.523 1.00 59.18 O ATOM 1091 CB SER A 116 10.711 8.470 62.009 1.00 71.05 C ATOM 1092 OG SER A 116 9.686 9.434 61.821 1.00 78.11 O ATOM 1093 HG SER A 116 8.831 8.972 61.630 1.00 0.00 H ATOM 1094 H SER A 116 11.474 10.819 61.124 1.00 0.00 H ATOM 1095 N LEU A 117 13.738 7.369 62.493 1.00 47.46 N ATOM 1096 CA LEU A 117 14.763 6.442 62.095 1.00 40.92 C ATOM 1097 C LEU A 117 14.589 5.179 62.931 1.00 37.38 C ATOM 1098 O LEU A 117 14.402 5.255 64.188 1.00 35.32 O ATOM 1099 CB LEU A 117 16.113 7.108 62.343 1.00 42.56 C ATOM 1100 CG LEU A 117 17.362 6.233 62.279 1.00 41.25 C ATOM 1101 CD1 LEU A 117 17.681 5.828 60.852 1.00 42.89 C ATOM 1102 CD2 LEU A 117 18.546 6.989 62.858 1.00 41.30 C ATOM 1103 H LEU A 117 13.406 7.331 63.478 1.00 0.00 H ATOM 1104 N ALA A 118 14.618 4.034 62.262 1.00 31.01 N ATOM 1105 CA ALA A 118 14.750 2.780 63.012 1.00 29.80 C ATOM 1106 C ALA A 118 15.781 1.865 62.345 1.00 29.74 C ATOM 1107 O ALA A 118 15.929 1.870 61.090 1.00 28.85 O ATOM 1108 CB ALA A 118 13.403 2.108 63.131 1.00 28.65 C ATOM 1109 H ALA A 118 14.548 4.025 61.224 1.00 0.00 H ATOM 1110 N CYS A 119 16.452 1.070 63.183 1.00 27.24 N ATOM 1111 CA CYS A 119 17.500 0.163 62.746 1.00 27.53 C ATOM 1112 C CYS A 119 17.267 -1.204 63.390 1.00 28.04 C ATOM 1113 O CYS A 119 16.700 -1.278 64.495 1.00 27.03 O ATOM 1114 CB CYS A 119 18.897 0.672 63.080 1.00 27.62 C ATOM 1115 SG CYS A 119 19.190 2.364 62.522 1.00 30.97 S ATOM 1116 H CYS A 119 16.213 1.102 64.195 1.00 0.00 H ATOM 1117 N GLN A 120 17.679 -2.254 62.673 1.00 26.42 N ATOM 1118 CA GLN A 120 17.593 -3.620 63.176 1.00 26.13 C ATOM 1119 C GLN A 120 18.917 -4.336 62.937 1.00 26.02 C ATOM 1120 O GLN A 120 19.691 -4.036 61.996 1.00 27.26 O ATOM 1121 CB GLN A 120 16.466 -4.429 62.533 1.00 26.64 C ATOM 1122 CG GLN A 120 15.096 -3.800 62.694 1.00 27.33 C ATOM 1123 CD GLN A 120 14.007 -4.787 62.352 1.00 28.68 C ATOM 1124 OE1 GLN A 120 14.306 -5.896 61.933 1.00 25.47 O ATOM 1125 NE2 GLN A 120 12.752 -4.384 62.540 1.00 29.78 N ATOM 1126 HE22 GLN A 120 12.562 -3.427 62.900 1.00 0.00 H ATOM 1127 HE21 GLN A 120 11.962 -5.026 62.327 1.00 0.00 H ATOM 1128 H GLN A 120 18.074 -2.091 61.725 1.00 0.00 H ATOM 1129 N CYS A 121 19.121 -5.291 63.816 1.00 25.38 N ATOM 1130 CA CYS A 121 20.158 -6.316 63.736 1.00 28.00 C ATOM 1131 C CYS A 121 19.440 -7.599 63.324 1.00 26.91 C ATOM 1132 O CYS A 121 18.658 -8.153 64.119 1.00 28.76 O ATOM 1133 CB CYS A 121 20.871 -6.553 65.065 1.00 29.61 C ATOM 1134 SG CYS A 121 22.126 -7.862 64.964 1.00 32.46 S ATOM 1135 H CYS A 121 18.488 -5.319 64.641 1.00 0.00 H ATOM 1136 N LEU A 122 19.634 -7.996 62.072 1.00 27.38 N ATOM 1137 CA LEU A 122 19.112 -9.255 61.547 1.00 27.86 C ATOM 1138 C LEU A 122 20.159 -10.349 61.717 1.00 29.36 C ATOM 1139 O LEU A 122 21.348 -10.114 61.453 1.00 29.69 O ATOM 1140 CB LEU A 122 18.782 -9.133 60.060 1.00 29.07 C ATOM 1141 CG LEU A 122 17.687 -8.141 59.678 1.00 29.39 C ATOM 1142 CD1 LEU A 122 17.286 -8.319 58.222 1.00 32.25 C ATOM 1143 CD2 LEU A 122 16.468 -8.317 60.553 1.00 29.74 C ATOM 1144 H LEU A 122 20.183 -7.383 61.436 1.00 0.00 H ATOM 1145 N VAL A 123 19.693 -11.543 62.082 1.00 30.04 N ATOM 1146 CA VAL A 123 20.544 -12.740 62.074 1.00 31.70 C ATOM 1147 C VAL A 123 19.867 -13.902 61.321 1.00 31.51 C ATOM 1148 O VAL A 123 18.649 -13.963 61.150 1.00 30.42 O ATOM 1149 CB VAL A 123 20.946 -13.134 63.507 1.00 33.55 C ATOM 1150 CG1 VAL A 123 21.798 -12.055 64.143 1.00 32.96 C ATOM 1151 CG2 VAL A 123 19.759 -13.485 64.401 1.00 34.29 C ATOM 1152 H VAL A 123 18.700 -11.629 62.380 1.00 0.00 H ATOM 1153 N ARG A 124 20.693 -14.834 60.866 1.00 32.01 N ATOM 1154 CA ARG A 124 20.221 -15.965 60.053 1.00 34.26 C ATOM 1155 C ARG A 124 19.557 -17.049 60.902 1.00 36.50 C ATOM 1156 O ARG A 124 18.728 -17.780 60.366 1.00 39.09 O ATOM 1157 CB ARG A 124 21.374 -16.633 59.302 1.00 36.64 C ATOM 1158 CG ARG A 124 21.898 -15.799 58.143 1.00 37.65 C ATOM 1159 CD ARG A 124 20.837 -15.509 57.103 1.00 37.30 C ATOM 1160 NE ARG A 124 21.439 -15.223 55.805 1.00 36.95 N ATOM 1161 CZ ARG A 124 20.760 -15.120 54.678 1.00 36.75 C ATOM 1162 NH1 ARG A 124 19.461 -15.381 54.684 1.00 33.61 N ATOM 1163 NH2 ARG A 124 21.410 -14.816 53.557 1.00 37.54 N ATOM 1164 HE ARG A 124 22.470 -15.092 55.765 1.00 0.00 H ATOM 1165 HH12 ARG A 124 18.911 -15.305 53.805 1.00 0.00 H ATOM 1166 HH11 ARG A 124 18.991 -15.662 55.568 1.00 0.00 H ATOM 1167 HH22 ARG A 124 20.889 -14.731 52.661 1.00 0.00 H ATOM 1168 HH21 ARG A 124 22.439 -14.663 53.577 1.00 0.00 H ATOM 1169 H ARG A 124 21.706 -14.763 61.091 1.00 0.00 H ATOM 1170 N THR A 125 19.837 -17.128 62.203 1.00 36.96 N ATOM 1171 CA THR A 125 19.342 -18.239 63.020 1.00 38.40 C ATOM 1172 C THR A 125 18.680 -17.692 64.289 1.00 37.91 C ATOM 1173 O THR A 125 18.938 -16.553 64.659 1.00 35.73 O ATOM 1174 CB THR A 125 20.494 -19.188 63.356 1.00 40.44 C ATOM 1175 OG1 THR A 125 21.375 -18.449 64.194 1.00 37.69 O ATOM 1176 CG2 THR A 125 21.219 -19.717 62.131 1.00 42.38 C ATOM 1177 HG1 THR A 125 22.145 -19.018 64.445 1.00 0.00 H ATOM 1178 H THR A 125 20.417 -16.387 62.646 1.00 0.00 H ATOM 1179 N PRO A 126 17.849 -18.511 64.963 1.00 40.16 N ATOM 1180 CA PRO A 126 17.116 -18.029 66.173 1.00 39.43 C ATOM 1181 C PRO A 126 17.995 -18.126 67.427 1.00 40.74 C ATOM 1182 O PRO A 126 17.660 -18.853 68.353 1.00 41.77 O ATOM 1183 CB PRO A 126 15.888 -18.941 66.241 1.00 39.50 C ATOM 1184 CG PRO A 126 16.396 -20.243 65.679 1.00 42.18 C ATOM 1185 CD PRO A 126 17.332 -19.822 64.556 1.00 40.59 C ATOM 1186 N GLU A 127 19.119 -17.419 67.391 1.00 40.39 N ATOM 1187 CA GLU A 127 20.149 -17.471 68.417 1.00 42.82 C ATOM 1188 C GLU A 127 20.602 -16.044 68.730 1.00 42.66 C ATOM 1189 O GLU A 127 20.644 -15.235 67.811 1.00 40.00 O ATOM 1190 CB GLU A 127 21.382 -18.202 67.916 1.00 45.21 C ATOM 1191 CG GLU A 127 21.174 -19.684 67.756 1.00 50.04 C ATOM 1192 CD GLU A 127 22.380 -20.313 67.091 1.00 52.39 C ATOM 1193 OE1 GLU A 127 22.639 -19.920 65.915 1.00 53.54 O ATOM 1194 OE2 GLU A 127 23.047 -21.142 67.756 1.00 50.73 O ATOM 1195 H GLU A 127 19.272 -16.789 66.578 1.00 0.00 H ATOM 1196 N VAL A 128 20.917 -15.746 69.980 1.00 41.99 N ATOM 1197 CA VAL A 128 21.467 -14.457 70.361 1.00 41.78 C ATOM 1198 C VAL A 128 22.909 -14.436 69.862 1.00 42.07 C ATOM 1199 O VAL A 128 23.722 -15.211 70.324 1.00 45.78 O ATOM 1200 CB VAL A 128 21.372 -14.213 71.883 1.00 44.85 C ATOM 1201 CG1 VAL A 128 22.005 -12.893 72.299 1.00 44.51 C ATOM 1202 CG2 VAL A 128 19.928 -14.261 72.359 1.00 42.36 C ATOM 1203 H VAL A 128 20.765 -16.463 70.718 1.00 0.00 H ATOM 1204 N ASP A 129 23.207 -13.586 68.887 1.00 39.47 N ATOM 1205 CA ASP A 129 24.577 -13.429 68.365 1.00 40.57 C ATOM 1206 C ASP A 129 25.204 -12.189 69.006 1.00 41.00 C ATOM 1207 O ASP A 129 24.972 -11.044 68.564 1.00 37.14 O ATOM 1208 CB ASP A 129 24.591 -13.319 66.832 1.00 39.26 C ATOM 1209 CG ASP A 129 26.005 -13.303 66.247 1.00 40.80 C ATOM 1210 OD1 ASP A 129 27.023 -13.049 66.936 1.00 40.85 O ATOM 1211 OD2 ASP A 129 26.095 -13.632 65.057 1.00 42.84 O ATOM 1212 H ASP A 129 22.446 -13.009 68.476 1.00 0.00 H ATOM 1213 N ASP A 130 26.022 -12.435 70.022 1.00 43.43 N ATOM 1214 CA ASP A 130 26.668 -11.355 70.771 1.00 44.51 C ATOM 1215 C ASP A 130 27.567 -10.486 69.904 1.00 43.22 C ATOM 1216 O ASP A 130 27.535 -9.268 70.070 1.00 38.84 O ATOM 1217 CB ASP A 130 27.481 -11.912 71.927 1.00 48.11 C ATOM 1218 CG ASP A 130 26.609 -12.374 73.094 1.00 50.11 C ATOM 1219 OD1 ASP A 130 25.438 -11.949 73.259 1.00 50.75 O ATOM 1220 OD2 ASP A 130 27.153 -13.147 73.901 1.00 56.85 O ATOM 1221 H ASP A 130 26.209 -13.421 70.293 1.00 0.00 H ATOM 1222 N GLU A 131 28.323 -11.085 68.989 1.00 43.18 N ATOM 1223 CA GLU A 131 29.224 -10.310 68.141 1.00 44.70 C ATOM 1224 C GLU A 131 28.377 -9.422 67.216 1.00 40.23 C ATOM 1225 O GLU A 131 28.706 -8.276 67.032 1.00 39.10 O ATOM 1226 CB GLU A 131 30.168 -11.211 67.342 1.00 51.44 C ATOM 1227 CG GLU A 131 31.131 -12.011 68.208 1.00 62.05 C ATOM 1228 CD GLU A 131 31.992 -13.069 67.522 1.00 72.07 C ATOM 1229 OE1 GLU A 131 31.638 -13.498 66.394 1.00 79.17 O ATOM 1230 OE2 GLU A 131 33.025 -13.476 68.117 1.00 78.32 O ATOM 1231 H GLU A 131 28.272 -12.118 68.876 1.00 0.00 H ATOM 1232 N ALA A 132 27.265 -9.908 66.678 1.00 37.18 N ATOM 1233 CA ALA A 132 26.430 -9.087 65.777 1.00 35.61 C ATOM 1234 C ALA A 132 25.785 -7.936 66.567 1.00 33.46 C ATOM 1235 O ALA A 132 25.666 -6.854 66.047 1.00 29.87 O ATOM 1236 CB ALA A 132 25.375 -9.922 65.068 1.00 34.11 C ATOM 1237 H ALA A 132 26.977 -10.883 66.894 1.00 0.00 H ATOM 1238 N LEU A 133 25.295 -8.212 67.762 1.00 32.51 N ATOM 1239 CA LEU A 133 24.746 -7.190 68.675 1.00 33.74 C ATOM 1240 C LEU A 133 25.812 -6.168 69.064 1.00 35.05 C ATOM 1241 O LEU A 133 25.502 -4.998 69.202 1.00 35.70 O ATOM 1242 CB LEU A 133 24.205 -7.852 69.939 1.00 34.15 C ATOM 1243 CG LEU A 133 22.909 -8.622 69.754 1.00 32.79 C ATOM 1244 CD1 LEU A 133 22.540 -9.341 71.040 1.00 35.53 C ATOM 1245 CD2 LEU A 133 21.808 -7.680 69.292 1.00 32.28 C ATOM 1246 H LEU A 133 25.296 -9.203 68.077 1.00 0.00 H ATOM 1247 N GLU A 134 27.053 -6.604 69.153 1.00 38.02 N ATOM 1248 CA GLU A 134 28.143 -5.681 69.442 1.00 41.33 C ATOM 1249 C GLU A 134 28.313 -4.750 68.222 1.00 38.89 C ATOM 1250 O GLU A 134 28.496 -3.559 68.415 1.00 35.05 O ATOM 1251 CB GLU A 134 29.380 -6.506 69.803 1.00 48.10 C ATOM 1252 CG GLU A 134 30.584 -5.717 70.272 1.00 55.65 C ATOM 1253 CD GLU A 134 31.830 -6.584 70.389 1.00 64.55 C ATOM 1254 OE1 GLU A 134 31.692 -7.808 70.680 1.00 70.29 O ATOM 1255 OE2 GLU A 134 32.942 -6.053 70.165 1.00 73.12 O ATOM 1256 H GLU A 134 27.256 -7.615 69.016 1.00 0.00 H ATOM 1257 N LYS A 135 28.216 -5.266 66.986 1.00 35.37 N ATOM 1258 CA LYS A 135 28.379 -4.405 65.823 1.00 36.36 C ATOM 1259 C LYS A 135 27.178 -3.460 65.694 1.00 34.06 C ATOM 1260 O LYS A 135 27.344 -2.299 65.371 1.00 34.96 O ATOM 1261 CB LYS A 135 28.548 -5.240 64.555 1.00 37.83 C ATOM 1262 CG LYS A 135 29.865 -5.996 64.526 1.00 39.40 C ATOM 1263 CD LYS A 135 30.023 -6.902 63.331 1.00 39.91 C ATOM 1264 CE LYS A 135 31.444 -7.404 63.313 1.00 43.64 C ATOM 1265 NZ LYS A 135 31.818 -7.907 61.981 1.00 46.42 N ATOM 1266 HZ1 LYS A 135 31.187 -8.691 61.718 1.00 0.00 H ATOM 1267 HZ2 LYS A 135 31.729 -7.140 61.285 1.00 0.00 H ATOM 1268 HZ3 LYS A 135 32.801 -8.245 62.003 1.00 0.00 H ATOM 1269 H LYS A 135 28.024 -6.280 66.859 1.00 0.00 H ATOM 1270 N PHE A 136 25.986 -3.967 65.958 1.00 31.28 N ATOM 1271 CA PHE A 136 24.763 -3.171 66.007 1.00 31.76 C ATOM 1272 C PHE A 136 24.923 -1.984 66.973 1.00 33.51 C ATOM 1273 O PHE A 136 24.670 -0.846 66.567 1.00 32.29 O ATOM 1274 CB PHE A 136 23.578 -4.032 66.443 1.00 30.28 C ATOM 1275 CG PHE A 136 22.242 -3.344 66.369 1.00 29.93 C ATOM 1276 CD1 PHE A 136 21.812 -2.778 65.180 1.00 28.41 C ATOM 1277 CD2 PHE A 136 21.365 -3.357 67.449 1.00 30.56 C ATOM 1278 CE1 PHE A 136 20.555 -2.210 65.092 1.00 29.09 C ATOM 1279 CE2 PHE A 136 20.109 -2.774 67.360 1.00 29.02 C ATOM 1280 CZ PHE A 136 19.715 -2.185 66.191 1.00 31.13 C ATOM 1281 H PHE A 136 25.916 -4.988 66.141 1.00 0.00 H ATOM 1282 N ASP A 137 25.362 -2.254 68.212 1.00 34.43 N ATOM 1283 CA ASP A 137 25.461 -1.173 69.214 1.00 37.08 C ATOM 1284 C ASP A 137 26.549 -0.181 68.823 1.00 37.20 C ATOM 1285 O ASP A 137 26.341 1.015 68.897 1.00 39.56 O ATOM 1286 CB ASP A 137 25.659 -1.741 70.618 1.00 38.79 C ATOM 1287 CG ASP A 137 24.368 -2.437 71.158 1.00 39.93 C ATOM 1288 OD1 ASP A 137 23.229 -2.074 70.776 1.00 36.43 O ATOM 1289 OD2 ASP A 137 24.496 -3.408 71.944 1.00 44.33 O ATOM 1290 H ASP A 137 25.633 -3.225 68.467 1.00 0.00 H ATOM 1291 N LYS A 138 27.658 -0.635 68.274 1.00 37.55 N ATOM 1292 CA LYS A 138 28.679 0.314 67.828 1.00 40.74 C ATOM 1293 C LYS A 138 28.166 1.164 66.649 1.00 38.96 C ATOM 1294 O LYS A 138 28.430 2.361 66.575 1.00 35.28 O ATOM 1295 CB LYS A 138 29.968 -0.428 67.453 1.00 44.74 C ATOM 1296 CG LYS A 138 30.785 -0.962 68.625 1.00 50.59 C ATOM 1297 CD LYS A 138 31.958 -1.817 68.159 1.00 55.48 C ATOM 1298 CE LYS A 138 32.621 -2.636 69.250 1.00 58.76 C ATOM 1299 NZ LYS A 138 33.588 -1.813 70.011 1.00 64.82 N ATOM 1300 HZ1 LYS A 138 34.322 -1.457 69.366 1.00 0.00 H ATOM 1301 HZ2 LYS A 138 33.090 -1.011 70.448 1.00 0.00 H ATOM 1302 HZ3 LYS A 138 34.029 -2.395 70.752 1.00 0.00 H ATOM 1303 H LYS A 138 27.806 -1.658 68.159 1.00 0.00 H ATOM 1304 N ALA A 139 27.462 0.538 65.704 1.00 35.75 N ATOM 1305 CA ALA A 139 26.888 1.285 64.588 1.00 35.33 C ATOM 1306 C ALA A 139 25.929 2.377 65.088 1.00 35.72 C ATOM 1307 O ALA A 139 25.850 3.431 64.437 1.00 36.33 O ATOM 1308 CB ALA A 139 26.170 0.356 63.654 1.00 33.08 C ATOM 1309 H ALA A 139 27.321 -0.491 65.763 1.00 0.00 H ATOM 1310 N LEU A 140 25.199 2.127 66.178 1.00 33.42 N ATOM 1311 CA LEU A 140 24.169 3.062 66.643 1.00 37.47 C ATOM 1312 C LEU A 140 24.717 4.101 67.640 1.00 39.34 C ATOM 1313 O LEU A 140 24.003 5.028 67.893 1.00 36.29 O ATOM 1314 CB LEU A 140 23.034 2.281 67.312 1.00 39.24 C ATOM 1315 CG LEU A 140 21.897 1.855 66.373 1.00 40.61 C ATOM 1316 CD1 LEU A 140 22.405 1.339 65.045 1.00 42.16 C ATOM 1317 CD2 LEU A 140 21.050 0.801 67.046 1.00 41.11 C ATOM 1318 H LEU A 140 25.365 1.249 66.710 1.00 0.00 H ATOM 1319 N LYS A 141 25.921 3.984 68.200 1.00 42.78 N ATOM 1320 CA LYS A 141 26.312 4.869 69.309 1.00 49.05 C ATOM 1321 C LYS A 141 26.441 6.324 68.827 1.00 52.00 C ATOM 1322 O LYS A 141 26.475 7.234 69.658 1.00 57.07 O ATOM 1323 CB LYS A 141 27.608 4.381 69.968 1.00 51.58 C ATOM 1324 CG LYS A 141 28.846 4.402 69.083 1.00 53.64 C ATOM 1325 CD LYS A 141 29.963 3.543 69.633 1.00 56.28 C ATOM 1326 CE LYS A 141 30.964 3.082 68.593 1.00 56.44 C ATOM 1327 NZ LYS A 141 32.053 2.311 69.238 1.00 58.91 N ATOM 1328 HZ1 LYS A 141 32.537 2.913 69.934 1.00 0.00 H ATOM 1329 HZ2 LYS A 141 31.651 1.480 69.717 1.00 0.00 H ATOM 1330 HZ3 LYS A 141 32.732 2.001 68.514 1.00 0.00 H ATOM 1331 H LYS A 141 26.587 3.265 67.852 1.00 0.00 H ATOM 1332 N ALA A 142 26.509 6.542 67.517 1.00 51.20 N ATOM 1333 CA ALA A 142 26.331 7.857 66.916 1.00 56.34 C ATOM 1334 C ALA A 142 24.866 8.315 66.959 1.00 53.43 C ATOM 1335 O ALA A 142 24.563 9.418 67.416 1.00 57.01 O ATOM 1336 CB ALA A 142 26.775 7.800 65.470 1.00 59.43 C ATOM 1337 H ALA A 142 26.699 5.734 66.891 1.00 0.00 H ATOM 1338 N LEU A 143 23.987 7.453 66.463 1.00 47.13 N ATOM 1339 CA LEU A 143 22.638 7.805 66.025 1.00 44.12 C ATOM 1340 C LEU A 143 21.768 8.178 67.229 1.00 43.35 C ATOM 1341 O LEU A 143 21.966 7.656 68.298 1.00 43.06 O ATOM 1342 CB LEU A 143 22.043 6.608 65.285 1.00 40.48 C ATOM 1343 CG LEU A 143 22.840 6.063 64.098 1.00 39.63 C ATOM 1344 CD1 LEU A 143 22.223 4.790 63.551 1.00 38.16 C ATOM 1345 CD2 LEU A 143 22.925 7.109 63.011 1.00 41.33 C ATOM 1346 H LEU A 143 24.279 6.458 66.380 1.00 0.00 H ATOM 1347 N PRO A 144 20.739 9.015 67.030 1.00 43.43 N ATOM 1348 CA PRO A 144 20.042 9.573 68.218 1.00 44.70 C ATOM 1349 C PRO A 144 18.861 8.646 68.595 1.00 41.41 C ATOM 1350 O PRO A 144 17.696 9.001 68.505 1.00 42.52 O ATOM 1351 CB PRO A 144 19.700 11.004 67.750 1.00 45.87 C ATOM 1352 CG PRO A 144 19.455 10.858 66.249 1.00 45.49 C ATOM 1353 CD PRO A 144 20.153 9.584 65.802 1.00 42.74 C ATOM 1354 N MET A 145 19.176 7.454 69.064 1.00 37.59 N ATOM 1355 CA MET A 145 18.186 6.441 69.394 1.00 35.68 C ATOM 1356 C MET A 145 17.675 6.635 70.828 1.00 36.31 C ATOM 1357 O MET A 145 18.443 7.122 71.668 1.00 40.25 O ATOM 1358 CB MET A 145 18.838 5.068 69.278 1.00 33.81 C ATOM 1359 CG MET A 145 19.329 4.750 67.868 1.00 34.46 C ATOM 1360 SD MET A 145 18.095 5.125 66.598 1.00 36.68 S ATOM 1361 CE MET A 145 18.561 3.997 65.291 1.00 34.87 C ATOM 1362 H MET A 145 20.181 7.228 69.205 1.00 0.00 H ATOM 1363 N HIS A 146 16.394 6.338 71.097 1.00 34.44 N ATOM 1364 CA HIS A 146 15.789 6.529 72.430 1.00 35.24 C ATOM 1365 C HIS A 146 15.004 5.290 72.869 1.00 33.69 C ATOM 1366 O HIS A 146 14.465 5.308 73.959 1.00 33.76 O ATOM 1367 CB HIS A 146 14.883 7.767 72.456 1.00 36.93 C ATOM 1368 CG HIS A 146 15.683 9.020 72.429 1.00 38.63 C ATOM 1369 ND1 HIS A 146 15.925 9.710 71.253 1.00 39.40 N ATOM 1370 CD2 HIS A 146 16.360 9.656 73.411 1.00 40.46 C ATOM 1371 CE1 HIS A 146 16.704 10.733 71.500 1.00 40.28 C ATOM 1372 NE2 HIS A 146 16.967 10.734 72.833 1.00 42.21 N ATOM 1373 H HIS A 146 15.801 5.956 70.332 1.00 0.00 H ATOM 1374 N ILE A 147 14.904 4.275 71.999 1.00 30.47 N ATOM 1375 CA ILE A 147 14.296 2.997 72.343 1.00 29.75 C ATOM 1376 C ILE A 147 15.142 1.914 71.669 1.00 29.54 C ATOM 1377 O ILE A 147 15.642 2.093 70.545 1.00 29.75 O ATOM 1378 CB ILE A 147 12.801 2.904 71.966 1.00 29.76 C ATOM 1379 CG1 ILE A 147 12.184 1.558 72.366 1.00 28.53 C ATOM 1380 CG2 ILE A 147 12.557 3.167 70.483 1.00 28.98 C ATOM 1381 CD1 ILE A 147 10.703 1.615 72.727 1.00 29.78 C ATOM 1382 H ILE A 147 15.277 4.406 71.037 1.00 0.00 H ATOM 1383 N ARG A 148 15.366 0.834 72.399 1.00 30.76 N ATOM 1384 CA ARG A 148 16.072 -0.347 71.933 1.00 31.19 C ATOM 1385 C ARG A 148 15.386 -1.581 72.540 1.00 31.14 C ATOM 1386 O ARG A 148 15.064 -1.608 73.775 1.00 29.79 O ATOM 1387 CB ARG A 148 17.553 -0.269 72.325 1.00 35.25 C ATOM 1388 CG ARG A 148 18.387 -1.443 71.832 1.00 38.49 C ATOM 1389 CD ARG A 148 19.757 -1.583 72.473 1.00 43.61 C ATOM 1390 NE ARG A 148 20.515 -2.647 71.810 1.00 44.22 N ATOM 1391 CZ ARG A 148 20.513 -3.918 72.203 1.00 42.62 C ATOM 1392 NH1 ARG A 148 19.650 -4.322 73.128 1.00 39.60 N ATOM 1393 NH2 ARG A 148 21.434 -4.738 71.727 1.00 42.74 N ATOM 1394 HE ARG A 148 21.090 -2.393 70.981 1.00 0.00 H ATOM 1395 HH12 ARG A 148 19.646 -5.315 73.437 1.00 0.00 H ATOM 1396 HH11 ARG A 148 18.978 -3.645 73.543 1.00 0.00 H ATOM 1397 HH22 ARG A 148 21.447 -5.735 72.024 1.00 0.00 H ATOM 1398 HH21 ARG A 148 22.146 -4.387 71.055 1.00 0.00 H ATOM 1399 H ARG A 148 15.011 0.830 73.377 1.00 0.00 H ATOM 1400 N LEU A 149 15.154 -2.578 71.669 1.00 28.46 N ATOM 1401 CA LEU A 149 14.485 -3.820 72.018 1.00 28.99 C ATOM 1402 C LEU A 149 15.355 -4.975 71.548 1.00 28.53 C ATOM 1403 O LEU A 149 16.005 -4.857 70.498 1.00 26.14 O ATOM 1404 CB LEU A 149 13.125 -3.965 71.340 1.00 29.70 C ATOM 1405 CG LEU A 149 12.105 -2.867 71.559 1.00 30.64 C ATOM 1406 CD1 LEU A 149 10.898 -3.207 70.727 1.00 33.15 C ATOM 1407 CD2 LEU A 149 11.728 -2.737 73.023 1.00 33.57 C ATOM 1408 H LEU A 149 15.472 -2.453 70.687 1.00 0.00 H ATOM 1409 N SER A 150 15.339 -6.063 72.311 1.00 28.51 N ATOM 1410 CA SER A 150 15.897 -7.317 71.752 1.00 30.85 C ATOM 1411 C SER A 150 15.100 -8.503 72.269 1.00 30.56 C ATOM 1412 O SER A 150 14.318 -8.418 73.226 1.00 31.30 O ATOM 1413 CB SER A 150 17.350 -7.485 72.052 1.00 31.62 C ATOM 1414 OG SER A 150 17.500 -7.404 73.448 1.00 38.13 O ATOM 1415 HG SER A 150 18.456 -7.512 73.683 1.00 0.00 H ATOM 1416 H SER A 150 14.946 -6.035 73.273 1.00 0.00 H ATOM 1417 N PHE A 151 15.303 -9.590 71.551 1.00 30.19 N ATOM 1418 CA PHE A 151 14.428 -10.778 71.646 1.00 30.13 C ATOM 1419 C PHE A 151 15.276 -12.025 71.897 1.00 29.40 C ATOM 1420 O PHE A 151 16.397 -12.163 71.391 1.00 31.51 O ATOM 1421 CB PHE A 151 13.605 -10.902 70.359 1.00 28.37 C ATOM 1422 CG PHE A 151 12.742 -9.692 70.086 1.00 27.44 C ATOM 1423 CD1 PHE A 151 11.501 -9.532 70.678 1.00 28.60 C ATOM 1424 CD2 PHE A 151 13.197 -8.678 69.267 1.00 27.70 C ATOM 1425 CE1 PHE A 151 10.708 -8.427 70.397 1.00 29.32 C ATOM 1426 CE2 PHE A 151 12.417 -7.565 68.991 1.00 28.18 C ATOM 1427 CZ PHE A 151 11.181 -7.422 69.586 1.00 28.37 C ATOM 1428 H PHE A 151 16.108 -9.613 70.893 1.00 0.00 H ATOM 1429 N ASN A 152 14.667 -12.917 72.632 1.00 29.70 N ATOM 1430 CA ASN A 152 15.249 -14.161 73.042 1.00 31.21 C ATOM 1431 C ASN A 152 14.835 -15.245 72.040 1.00 32.72 C ATOM 1432 O ASN A 152 13.898 -15.042 71.240 1.00 32.14 O ATOM 1433 CB ASN A 152 14.826 -14.502 74.480 1.00 32.34 C ATOM 1434 CG ASN A 152 13.396 -14.975 74.651 1.00 33.07 C ATOM 1435 OD1 ASN A 152 12.883 -15.766 73.846 1.00 31.89 O ATOM 1436 ND2 ASN A 152 12.785 -14.583 75.767 1.00 31.56 N ATOM 1437 HD22 ASN A 152 13.257 -13.917 76.412 1.00 0.00 H ATOM 1438 HD21 ASN A 152 11.836 -14.943 75.994 1.00 0.00 H ATOM 1439 H ASN A 152 13.695 -12.711 72.940 1.00 0.00 H ATOM 1440 N PRO A 153 15.528 -16.401 72.079 1.00 34.01 N ATOM 1441 CA PRO A 153 15.342 -17.388 71.017 1.00 35.18 C ATOM 1442 C PRO A 153 13.900 -17.916 70.988 1.00 37.33 C ATOM 1443 O PRO A 153 13.413 -18.243 69.886 1.00 35.82 O ATOM 1444 CB PRO A 153 16.334 -18.512 71.340 1.00 36.29 C ATOM 1445 CG PRO A 153 17.445 -17.773 72.013 1.00 35.83 C ATOM 1446 CD PRO A 153 16.693 -16.786 72.881 1.00 35.38 C ATOM 1447 N THR A 154 13.237 -17.993 72.159 1.00 36.38 N ATOM 1448 CA THR A 154 11.855 -18.480 72.166 1.00 37.42 C ATOM 1449 C THR A 154 10.977 -17.539 71.329 1.00 35.96 C ATOM 1450 O THR A 154 10.212 -18.005 70.443 1.00 35.26 O ATOM 1451 CB THR A 154 11.298 -18.671 73.585 1.00 39.63 C ATOM 1452 OG1 THR A 154 12.252 -19.460 74.301 1.00 40.32 O ATOM 1453 CG2 THR A 154 9.936 -19.336 73.600 1.00 41.41 C ATOM 1454 HG1 THR A 154 11.930 -19.607 75.225 1.00 0.00 H ATOM 1455 H THR A 154 13.700 -17.710 73.046 1.00 0.00 H ATOM 1456 N GLN A 155 11.134 -16.246 71.586 1.00 33.98 N ATOM 1457 CA GLN A 155 10.342 -15.186 70.936 1.00 34.13 C ATOM 1458 C GLN A 155 10.622 -15.184 69.432 1.00 33.17 C ATOM 1459 O GLN A 155 9.722 -14.946 68.672 1.00 38.40 O ATOM 1460 CB GLN A 155 10.628 -13.785 71.503 1.00 31.76 C ATOM 1461 CG GLN A 155 10.143 -13.624 72.937 1.00 32.69 C ATOM 1462 CD GLN A 155 10.729 -12.435 73.662 1.00 32.85 C ATOM 1463 OE1 GLN A 155 11.854 -11.996 73.392 1.00 32.28 O ATOM 1464 NE2 GLN A 155 9.969 -11.945 74.631 1.00 32.97 N ATOM 1465 HE22 GLN A 155 9.030 -12.354 74.813 1.00 0.00 H ATOM 1466 HE21 GLN A 155 10.311 -11.151 75.209 1.00 0.00 H ATOM 1467 H GLN A 155 11.854 -15.966 72.283 1.00 0.00 H ATOM 1468 N LEU A 156 11.866 -15.367 69.035 1.00 33.13 N ATOM 1469 CA LEU A 156 12.312 -15.371 67.637 1.00 34.06 C ATOM 1470 C LEU A 156 11.639 -16.495 66.831 1.00 36.68 C ATOM 1471 O LEU A 156 11.533 -16.383 65.609 1.00 38.95 O ATOM 1472 CB LEU A 156 13.836 -15.545 67.583 1.00 33.11 C ATOM 1473 CG LEU A 156 14.677 -14.368 68.086 1.00 31.45 C ATOM 1474 CD1 LEU A 156 16.151 -14.695 68.052 1.00 31.72 C ATOM 1475 CD2 LEU A 156 14.423 -13.082 67.318 1.00 30.11 C ATOM 1476 H LEU A 156 12.587 -15.520 69.769 1.00 0.00 H ATOM 1477 N GLU A 157 11.241 -17.585 67.481 1.00 36.37 N ATOM 1478 CA GLU A 157 10.529 -18.670 66.799 1.00 39.31 C ATOM 1479 C GLU A 157 9.006 -18.466 66.845 1.00 40.35 C ATOM 1480 O GLU A 157 8.329 -19.328 66.360 1.00 42.12 O ATOM 1481 CB GLU A 157 10.878 -20.029 67.420 1.00 40.56 C ATOM 1482 CG GLU A 157 12.198 -20.567 66.897 1.00 40.99 C ATOM 1483 CD GLU A 157 12.120 -20.946 65.424 1.00 40.32 C ATOM 1484 OE1 GLU A 157 11.610 -22.037 65.092 1.00 39.68 O ATOM 1485 OE2 GLU A 157 12.417 -20.061 64.626 1.00 40.53 O ATOM 1486 H GLU A 157 11.440 -17.670 68.498 1.00 0.00 H ATOM 1487 N GLU A 158 8.472 -17.371 67.386 1.00 39.18 N ATOM 1488 CA GLU A 158 7.047 -17.141 67.475 1.00 41.34 C ATOM 1489 C GLU A 158 6.668 -16.022 66.511 1.00 41.84 C ATOM 1490 O GLU A 158 7.435 -15.070 66.336 1.00 40.64 O ATOM 1491 CB GLU A 158 6.641 -16.687 68.885 1.00 42.01 C ATOM 1492 CG GLU A 158 7.004 -17.670 69.977 1.00 43.68 C ATOM 1493 CD GLU A 158 6.087 -18.883 70.005 1.00 49.60 C ATOM 1494 OE1 GLU A 158 5.144 -18.929 69.189 1.00 52.63 O ATOM 1495 OE2 GLU A 158 6.293 -19.766 70.859 1.00 53.69 O ATOM 1496 H GLU A 158 9.113 -16.645 67.764 1.00 0.00 H ATOM 1497 N GLN A 159 5.452 -16.074 66.003 1.00 45.39 N ATOM 1498 CA GLN A 159 4.924 -15.013 65.159 1.00 46.68 C ATOM 1499 C GLN A 159 4.816 -13.740 65.999 1.00 44.87 C ATOM 1500 O GLN A 159 4.247 -13.749 67.084 1.00 44.48 O ATOM 1501 CB GLN A 159 3.542 -15.379 64.609 1.00 52.12 C ATOM 1502 CG GLN A 159 3.557 -16.607 63.716 1.00 55.96 C ATOM 1503 CD GLN A 159 3.269 -16.255 62.285 1.00 59.22 C ATOM 1504 OE1 GLN A 159 3.759 -15.269 61.735 1.00 60.73 O ATOM 1505 NE2 GLN A 159 2.449 -17.096 61.684 1.00 68.37 N ATOM 1506 HE22 GLN A 159 2.068 -17.912 62.204 1.00 0.00 H ATOM 1507 HE21 GLN A 159 2.184 -16.943 60.690 1.00 0.00 H ATOM 1508 H GLN A 159 4.853 -16.898 66.212 1.00 0.00 H ATOM 1509 N CYS A 160 5.377 -12.660 65.473 1.00 42.55 N ATOM 1510 CA CYS A 160 5.364 -11.318 66.074 1.00 41.55 C ATOM 1511 C CYS A 160 6.084 -11.334 67.434 1.00 39.31 C ATOM 1512 O CYS A 160 5.977 -10.389 68.197 1.00 35.74 O ATOM 1513 CB CYS A 160 3.940 -10.763 66.143 1.00 45.54 C ATOM 1514 SG CYS A 160 3.373 -10.161 64.523 1.00 48.48 S ATOM 1515 H CYS A 160 5.866 -12.771 64.562 1.00 0.00 H ATOM 1516 N HIS A 161 6.952 -12.335 67.605 1.00 37.84 N ATOM 1517 CA HIS A 161 7.903 -12.413 68.690 1.00 38.92 C ATOM 1518 C HIS A 161 7.172 -12.400 70.047 1.00 41.08 C ATOM 1519 O HIS A 161 7.690 -11.874 70.984 1.00 39.15 O ATOM 1520 CB HIS A 161 8.928 -11.275 68.578 1.00 37.31 C ATOM 1521 CG HIS A 161 9.895 -11.425 67.455 1.00 36.41 C ATOM 1522 ND1 HIS A 161 11.062 -10.686 67.373 1.00 36.35 N ATOM 1523 CD2 HIS A 161 9.890 -12.225 66.366 1.00 39.26 C ATOM 1524 CE1 HIS A 161 11.714 -11.018 66.270 1.00 37.23 C ATOM 1525 NE2 HIS A 161 11.018 -11.958 65.642 1.00 36.68 N ATOM 1526 H HIS A 161 6.943 -13.110 66.911 1.00 0.00 H ATOM 1527 N ILE A 162 5.990 -12.984 70.115 1.00 45.14 N ATOM 1528 CA ILE A 162 5.148 -13.031 71.305 1.00 52.17 C ATOM 1529 C ILE A 162 5.793 -13.931 72.364 1.00 53.49 C ATOM 1530 O ILE A 162 6.240 -15.041 72.045 1.00 56.12 O ATOM 1531 CB ILE A 162 3.757 -13.579 70.935 1.00 54.32 C ATOM 1532 CG1 ILE A 162 3.036 -12.701 69.908 1.00 54.20 C ATOM 1533 CG2 ILE A 162 2.922 -13.771 72.182 1.00 58.61 C ATOM 1534 CD1 ILE A 162 2.617 -11.339 70.414 1.00 54.14 C ATOM 1535 OXT ILE A 162 5.825 -13.610 73.550 1.00 56.63 O ATOM 1536 H ILE A 162 5.632 -13.446 69.255 1.00 0.00 H TER 1537 ILE A 162 HETATM 1538 O HOH 1 0.446 -2.532 59.241 1.00 60.61 O HETATM 1539 O HOH 2 12.117 -23.477 63.302 1.00 36.89 O HETATM 1540 O HOH 3 26.396 4.488 42.052 1.00 45.46 O HETATM 1541 O HOH 4 24.016 -15.617 50.966 1.00 50.48 O HETATM 1542 O HOH 5 11.311 -5.639 40.926 1.00 61.98 O HETATM 1543 O HOH 6 13.047 -9.984 74.846 1.00 46.94 O HETATM 1544 O HOH 7 11.483 -14.294 64.069 1.00 40.31 O HETATM 1545 O HOH 8 3.951 -5.103 64.963 1.00 45.02 O HETATM 1546 O HOH 9 9.088 -20.373 70.402 1.00 38.17 O HETATM 1547 O HOH 10 23.522 11.973 61.191 1.00 69.99 O HETATM 1548 O HOH 11 3.909 -18.110 66.698 1.00 62.04 O HETATM 1549 O HOH 12 29.986 -1.750 56.479 1.00 41.05 O HETATM 1550 O HOH 13 22.503 -3.600 45.614 1.00 41.05 O HETATM 1551 O HOH 14 8.528 -14.985 63.897 1.00 45.26 O HETATM 1552 O HOH 15 24.070 -5.404 45.201 1.00 42.85 O HETATM 1553 O HOH 16 20.650 8.639 71.735 1.00 48.76 O HETATM 1554 O HOH 17 17.601 -3.316 74.547 1.00 38.70 O HETATM 1555 O HOH 18 9.947 -23.854 66.182 1.00 40.03 O HETATM 1556 O HOH 19 29.570 -1.640 63.979 1.00 34.87 O HETATM 1557 O HOH 20 30.245 -7.998 49.709 1.00 48.54 O HETATM 1558 O HOH 21 20.914 8.449 55.718 1.00 53.10 O HETATM 1559 O HOH 22 12.100 -11.515 62.790 1.00 24.50 O HETATM 1560 O HOH 23 17.415 -12.842 41.826 1.00 54.10 O HETATM 1561 O HOH 24 32.048 -5.003 60.372 1.00 47.40 O HETATM 1562 O HOH 25 15.682 11.235 68.315 1.00 51.77 O HETATM 1563 O HOH 26 5.892 2.192 42.362 1.00 69.38 O HETATM 1564 O HOH 27 12.216 -2.074 63.975 1.00 42.06 O HETATM 1565 O HOH 28 20.286 -0.140 45.378 1.00 29.84 O HETATM 1566 O HOH 29 13.890 -21.000 69.726 1.00 32.30 O HETATM 1567 O HOH 30 1.461 -6.453 52.217 1.00 32.29 O HETATM 1568 O HOH 31 22.078 -16.000 65.427 1.00 39.21 O HETATM 1569 O HOH 32 26.769 -5.027 72.604 1.00 31.86 O HETATM 1570 O HOH 33 25.456 -13.304 43.861 1.00 52.08 O HETATM 1571 O HOH 34 11.182 9.307 72.278 1.00 13.49 O HETATM 1572 O HOH 35 17.987 -9.730 35.517 1.00 52.33 O HETATM 1573 O HOH 36 26.817 -15.167 70.730 1.00 60.68 O HETATM 1574 O HOH 37 24.521 7.811 53.692 1.00 57.00 O HETATM 1575 O HOH 38 5.662 -2.112 48.531 1.00 70.13 O HETATM 1576 O HOH 39 21.253 -7.892 41.294 1.00 51.30 O HETATM 1577 O HOH 40 26.524 1.207 48.274 1.00 47.74 O HETATM 1578 O HOH 41 25.019 -9.049 74.144 1.00 69.68 O HETATM 1579 O HOH 42 23.190 -10.743 74.963 1.00 54.95 O HETATM 1580 O HOH 43 35.541 -6.202 68.445 1.00 45.52 O HETATM 1581 O HOH 44 9.789 -15.623 75.979 1.00 38.37 O HETATM 1582 O HOH 45 34.301 -13.851 64.680 1.00 68.24 O HETATM 1583 O HOH 46 18.511 6.637 42.468 1.00 63.82 O HETATM 1584 O HOH 47 19.872 -4.944 36.639 1.00 75.05 O HETATM 1585 O HOH 48 -8.097 -8.861 69.023 1.00 46.62 O HETATM 1586 O HOH 49 21.974 -1.456 42.461 1.00 53.21 O HETATM 1587 O HOH 50 27.036 -9.692 41.593 1.00 42.51 O HETATM 1588 O HOH 51 26.838 9.009 72.775 1.00 40.05 O HETATM 1589 O HOH 52 5.696 -12.298 43.463 1.00 83.47 O HETATM 1590 O HOH 53 28.582 -0.028 60.184 1.00 26.56 O HETATM 1591 O HOH 54 19.444 -2.638 76.324 1.00 27.39 O HETATM 1592 O HOH 55 31.900 -2.200 60.867 1.00 49.06 O HETATM 1593 O HOH 56 4.313 6.826 65.767 1.00 57.98 O HETATM 1594 O HOH 57 21.234 -1.284 75.294 1.00 66.78 O HETATM 1595 O HOH 58 -9.001 -6.750 68.119 1.00 58.05 O HETATM 1596 O HOH 59 9.208 -13.671 78.029 1.00 65.27 O HETATM 1597 O HOH 60 7.692 -16.997 62.637 1.00 42.93 O HETATM 1598 O HOH 61 18.164 14.356 73.817 1.00 44.92 O HETATM 1599 O HOH 62 -0.741 -1.192 71.973 1.00 40.17 O HETATM 1600 O HOH 63 10.465 18.165 68.682 1.00 78.43 O HETATM 1601 O HOH 64 28.946 -8.507 42.670 1.00 63.78 O HETATM 1602 O HOH 65 21.089 -15.874 43.189 1.00 38.41 O HETATM 1603 O HOH 66 27.646 -11.363 77.564 1.00 68.68 O HETATM 1604 O HOH 67 14.195 16.054 49.640 1.00 69.10 O HETATM 1605 O HOH 68 20.152 -20.538 71.466 1.00 49.05 O HETATM 1606 O HOH 69 16.648 -19.681 75.014 1.00 60.01 O HETATM 1607 O HOH 70 18.123 13.385 69.427 1.00 35.20 O HETATM 1608 O HOH 71 30.335 -13.983 44.407 1.00 42.37 O HETATM 1609 O HOH 72 20.259 -13.354 39.177 1.00 32.68 O HETATM 1610 O HOH 73 8.393 -6.044 37.843 1.00 57.80 O HETATM 1611 O HOH 74 33.058 -14.909 72.721 1.00 75.66 O HETATM 1612 O HOH 75 4.223 2.091 40.306 1.00 64.73 O HETATM 1613 O HOH 76 8.297 -22.722 74.475 1.00 55.14 O HETATM 1614 O HOH 77 5.351 -21.094 76.150 1.00 38.14 O HETATM 1615 O HOH 78 -2.725 -19.302 62.258 1.00 72.14 O HETATM 1616 O HOH 79 5.689 -25.324 76.359 1.00 66.57 O HETATM 1617 O19 X A 90 2.327 -0.378 54.689 1.00 -0.57 O HETATM 1618 C21 X A 90 2.539 -0.748 55.868 1.00 0.03 C HETATM 1619 O21 X A 90 1.904 -0.281 56.842 1.00 -0.57 O HETATM 1620 C22 X A 90 3.607 -1.800 56.086 1.00 0.00 C HETATM 1621 C23 X A 90 4.156 -1.809 57.512 1.00 -0.04 C HETATM 1622 C24 X A 90 5.252 -0.768 57.725 1.00 -0.05 C HETATM 1623 C25 X A 90 6.570 -1.214 57.106 1.00 -0.05 C HETATM 1624 C26 X A 90 7.716 -0.344 57.596 1.00 -0.05 C HETATM 1625 C27 X A 90 8.912 -0.453 56.668 1.00 -0.05 C HETATM 1626 C28 X A 90 9.386 -1.889 56.591 1.00 -0.05 C HETATM 1627 C29 X A 90 10.760 -1.959 55.938 1.00 -0.05 C HETATM 1628 C39 X A 90 11.502 -3.236 56.302 1.00 -0.05 C HETATM 1629 C30 X A 90 12.912 -3.182 55.768 1.00 -0.05 C HETATM 1630 C31 X A 90 13.630 -4.511 55.785 1.00 -0.05 C HETATM 1631 C32 X A 90 15.004 -4.243 55.235 1.00 -0.05 C HETATM 1632 C33 X A 90 15.749 -5.535 55.028 1.00 -0.05 C HETATM 1633 C34 X A 90 17.235 -5.259 54.874 1.00 -0.05 C HETATM 1634 C35 X A 90 17.826 -5.546 53.501 1.00 -0.06 C HETATM 1635 C36 X A 90 17.798 -4.350 52.574 1.00 -0.07 C HETATM 1636 H29 X A 90 18.238 -4.627 51.605 1.00 0.02 H HETATM 1637 H30 X A 90 18.378 -3.528 53.019 1.00 0.02 H HETATM 1638 H31 X A 90 16.758 -4.026 52.425 1.00 0.02 H HETATM 1639 H27 X A 90 17.251 -6.361 53.037 1.00 0.03 H HETATM 1640 H28 X A 90 18.871 -5.863 53.630 1.00 0.03 H HETATM 1641 H25 X A 90 17.771 -5.879 55.608 1.00 0.03 H HETATM 1642 H26 X A 90 17.405 -4.196 55.099 1.00 0.03 H HETATM 1643 H23 X A 90 15.374 -6.030 54.120 1.00 0.03 H HETATM 1644 H24 X A 90 15.588 -6.191 55.896 1.00 0.03 H HETATM 1645 H21 X A 90 15.561 -3.613 55.944 1.00 0.03 H HETATM 1646 H22 X A 90 14.913 -3.719 54.272 1.00 0.03 H HETATM 1647 H19 X A 90 13.101 -5.240 55.154 1.00 0.03 H HETATM 1648 H20 X A 90 13.698 -4.896 56.813 1.00 0.03 H HETATM 1649 H17 X A 90 12.874 -2.823 54.729 1.00 0.03 H HETATM 1650 H18 X A 90 13.486 -2.471 56.381 1.00 0.03 H HETATM 1651 H32 X A 90 10.979 -4.099 55.864 1.00 0.03 H HETATM 1652 H33 X A 90 11.531 -3.342 57.397 1.00 0.03 H HETATM 1653 H15 X A 90 11.355 -1.096 56.271 1.00 0.03 H HETATM 1654 H16 X A 90 10.636 -1.920 54.846 1.00 0.03 H HETATM 1655 H13 X A 90 8.671 -2.475 55.995 1.00 0.03 H HETATM 1656 H14 X A 90 9.446 -2.306 57.607 1.00 0.03 H HETATM 1657 H11 X A 90 9.727 0.178 57.051 1.00 0.03 H HETATM 1658 H12 X A 90 8.624 -0.111 55.663 1.00 0.03 H HETATM 1659 H9 X A 90 8.011 -0.671 58.604 1.00 0.03 H HETATM 1660 H10 X A 90 7.383 0.704 57.633 1.00 0.03 H HETATM 1661 H7 X A 90 6.500 -1.135 56.011 1.00 0.03 H HETATM 1662 H8 X A 90 6.765 -2.260 57.387 1.00 0.03 H HETATM 1663 H5 X A 90 5.397 -0.617 58.805 1.00 0.03 H HETATM 1664 H6 X A 90 4.941 0.179 57.261 1.00 0.03 H HETATM 1665 H3 X A 90 4.571 -2.806 57.724 1.00 0.03 H HETATM 1666 H4 X A 90 3.331 -1.600 58.209 1.00 0.03 H HETATM 1667 H1 X A 90 4.438 -1.605 55.392 1.00 0.04 H HETATM 1668 H2 X A 90 3.174 -2.788 55.871 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 604 603 1514 CONECT 1002 1001 1115 CONECT 1115 1002 1114 CONECT 1514 604 1513 CONECT 1617 1618 CONECT 1618 1617 1619 1620 CONECT 1619 1618 CONECT 1620 1618 1621 1667 1668 CONECT 1621 1620 1622 1665 1666 CONECT 1622 1621 1623 1663 1664 CONECT 1623 1622 1624 1661 1662 CONECT 1624 1623 1625 1659 1660 CONECT 1625 1624 1626 1657 1658 CONECT 1626 1625 1627 1655 1656 CONECT 1627 1626 1628 1653 1654 CONECT 1628 1627 1629 1651 1652 CONECT 1629 1628 1630 1649 1650 CONECT 1630 1629 1631 1647 1648 CONECT 1631 1630 1632 1645 1646 CONECT 1632 1631 1633 1643 1644 CONECT 1633 1632 1634 1641 1642 CONECT 1634 1633 1635 1639 1640 CONECT 1635 1634 1636 1637 1638 CONECT 1636 1635 CONECT 1637 1635 CONECT 1638 1635 CONECT 1639 1634 CONECT 1640 1634 CONECT 1641 1633 CONECT 1642 1633 CONECT 1643 1632 CONECT 1644 1632 CONECT 1645 1631 CONECT 1646 1631 CONECT 1647 1630 CONECT 1648 1630 CONECT 1649 1629 CONECT 1650 1629 CONECT 1651 1628 CONECT 1652 1628 CONECT 1653 1627 CONECT 1654 1627 CONECT 1655 1626 CONECT 1656 1626 CONECT 1657 1625 CONECT 1658 1625 CONECT 1659 1624 CONECT 1660 1624 CONECT 1661 1623 CONECT 1662 1623 CONECT 1663 1622 CONECT 1664 1622 CONECT 1665 1621 CONECT 1666 1621 CONECT 1667 1620 CONECT 1668 1620 MASTER 0 0 0 0 0 0 0 0 1667 1 60 13 END
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Related entries of code: 6gf9
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Protein Sequence Similarity
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PDBbind
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RCSB PDB
PDBbind
162aa, >6GFS_1|Chain... at 100%
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RCSB PDB
PDBbind
162aa, >6GHH_1|Chain... at 100%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6gf9
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Beta-lactoglobulin
Ligand Name
X90
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=0.411uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Int. J. Biol. Macromol. Vol. 118: pp. 296-303
Ligand Properties
Formula
C
1
7
H
3
4
O
2
Molecular Weight
270.451
Exact Mass
270.256
No. of atoms
53
No. of bonds
52
Polar Surface Area
37.3
LOGP Value
9.10 (
Computed with XLOGP3
)
5.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCCCCCC(=O)O
InChI String
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P02754
Entrez Gene ID
NCBI Entrez Gene ID:
280838
ASD
Information of known allosteric effects of PDB entries
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