Browse entries in the PDBbind-CN Database
HEADER 5OFX_COMPLEX COMPND 5OFX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER ASP TRP SER GLY SER VAL PRO ALA ASN ALA GLU ASN SEQRES 2 A 121 GLY LYS SER THR GLY LEU ILE LEU LYS GLN GLY ASP THR SEQRES 3 A 121 ILE SER VAL VAL ALA HIS GLY TRP VAL LYS TYR GLY ARG SEQRES 4 A 121 ASP ASN VAL GLU TRP ALA ALA PRO ASP GLY PRO VAL PRO SEQRES 5 A 121 ASN ASN PRO GLN PRO SER SER ILE ALA THR LEU VAL ALA SEQRES 6 A 121 LYS ILE ALA ASN LYS LYS PHE ALA ILE GLY ASN GLY VAL SEQRES 7 A 121 LEU HIS LYS THR VAL PRO VAL ASP GLY GLU LEU ILE LEU SEQRES 8 A 121 LEU PHE ASN ASP VAL PRO GLY THR PHE GLY ASP ASN SER SEQRES 9 A 121 GLY GLU PHE GLN VAL GLU VAL ILE ILE GLU SER ARG TYR SEQRES 10 A 121 SER PRO LEU LYS HET CA A 1 1 HET RAF A 284 66 ATOM 1 N SER A 2 -68.119 -68.202 -64.442 1.00 49.05 N ATOM 2 CA SER A 2 -66.941 -67.452 -64.861 1.00 37.32 C ATOM 3 C SER A 2 -66.954 -66.048 -64.263 1.00 37.70 C ATOM 4 O SER A 2 -68.012 -65.431 -64.132 1.00 38.06 O ATOM 5 CB SER A 2 -66.873 -67.367 -66.390 1.00 40.29 C ATOM 6 OG SER A 2 -67.979 -66.649 -66.910 1.00 35.36 O ATOM 7 HG SER A 2 -67.978 -65.731 -66.541 1.00 0.00 H ATOM 8 HN3 SER A 2 -68.976 -67.707 -64.763 1.00 0.00 H ATOM 9 HN2 SER A 2 -68.129 -68.278 -63.405 1.00 0.00 H ATOM 10 HN1 SER A 2 -68.089 -69.154 -64.860 1.00 0.00 H ATOM 11 N ASP A 3 -65.775 -65.552 -63.882 1.00 29.02 N ATOM 12 CA ASP A 3 -65.664 -64.150 -63.495 1.00 26.68 C ATOM 13 C ASP A 3 -66.050 -63.242 -64.656 1.00 22.68 C ATOM 14 O ASP A 3 -66.636 -62.173 -64.452 1.00 21.86 O ATOM 15 CB ASP A 3 -64.244 -63.836 -63.026 1.00 27.30 C ATOM 16 CG ASP A 3 -63.966 -64.341 -61.631 1.00 32.60 C ATOM 17 OD1 ASP A 3 -63.730 -65.557 -61.470 1.00 23.73 O ATOM 18 OD2 ASP A 3 -63.983 -63.513 -60.692 1.00 28.96 O ATOM 19 H ASP A 3 -64.935 -66.165 -63.861 1.00 0.00 H ATOM 20 N TRP A 4 -65.718 -63.647 -65.879 1.00 16.30 N ATOM 21 CA TRP A 4 -66.128 -62.932 -67.079 1.00 15.99 C ATOM 22 C TRP A 4 -66.304 -63.937 -68.205 1.00 15.54 C ATOM 23 O TRP A 4 -65.497 -64.860 -68.359 1.00 15.00 O ATOM 24 CB TRP A 4 -65.111 -61.861 -67.497 1.00 15.36 C ATOM 25 CG TRP A 4 -65.512 -61.097 -68.735 1.00 15.25 C ATOM 26 CD1 TRP A 4 -66.241 -59.943 -68.787 1.00 16.24 C ATOM 27 CD2 TRP A 4 -65.208 -61.438 -70.095 1.00 14.39 C ATOM 28 NE1 TRP A 4 -66.408 -59.545 -70.090 1.00 16.07 N ATOM 29 CE2 TRP A 4 -65.783 -60.445 -70.913 1.00 14.96 C ATOM 30 CE3 TRP A 4 -64.504 -62.484 -70.699 1.00 13.50 C ATOM 31 CZ2 TRP A 4 -65.674 -60.465 -72.304 1.00 16.76 C ATOM 32 CZ3 TRP A 4 -64.398 -62.502 -72.080 1.00 13.01 C ATOM 33 CH2 TRP A 4 -64.984 -61.500 -72.865 1.00 13.39 C ATOM 34 HE1 TRP A 4 -66.925 -58.698 -70.402 1.00 0.00 H ATOM 35 H TRP A 4 -65.143 -64.508 -65.982 1.00 0.00 H ATOM 36 N SER A 5 -67.372 -63.760 -68.976 1.00 16.09 N ATOM 37 CA SER A 5 -67.574 -64.511 -70.206 1.00 15.92 C ATOM 38 C SER A 5 -68.106 -63.553 -71.261 1.00 16.13 C ATOM 39 O SER A 5 -68.970 -62.717 -70.979 1.00 17.17 O ATOM 40 CB SER A 5 -68.541 -65.690 -70.006 1.00 17.26 C ATOM 41 OG SER A 5 -69.846 -65.242 -69.702 1.00 27.50 O ATOM 42 HG SER A 5 -70.183 -64.682 -70.445 1.00 0.00 H ATOM 43 H SER A 5 -68.087 -63.061 -68.691 1.00 0.00 H ATOM 44 N GLY A 6 -67.584 -63.670 -72.473 1.00 15.66 N ATOM 45 CA GLY A 6 -68.019 -62.781 -73.529 1.00 17.34 C ATOM 46 C GLY A 6 -67.350 -63.133 -74.834 1.00 15.18 C ATOM 47 O GLY A 6 -66.689 -64.167 -74.961 1.00 15.12 O ATOM 48 H GLY A 6 -66.865 -64.397 -72.665 1.00 0.00 H ATOM 49 N SER A 7 -67.531 -62.243 -75.804 1.00 18.89 N ATOM 50 CA SER A 7 -66.987 -62.416 -77.140 1.00 20.12 C ATOM 51 C SER A 7 -65.762 -61.533 -77.318 1.00 20.37 C ATOM 52 O SER A 7 -65.704 -60.417 -76.793 1.00 20.38 O ATOM 53 CB SER A 7 -68.029 -62.067 -78.204 1.00 23.50 C ATOM 54 OG SER A 7 -68.228 -60.665 -78.267 1.00 28.70 O ATOM 55 HG SER A 7 -67.373 -60.222 -78.497 1.00 0.00 H ATOM 56 H SER A 7 -68.085 -61.387 -75.598 1.00 0.00 H ATOM 57 N VAL A 8 -64.790 -62.039 -78.063 1.00 13.05 N ATOM 58 CA VAL A 8 -63.613 -61.281 -78.456 1.00 12.33 C ATOM 59 C VAL A 8 -63.620 -61.177 -79.975 1.00 15.96 C ATOM 60 O VAL A 8 -63.272 -62.129 -80.674 1.00 13.70 O ATOM 61 CB VAL A 8 -62.316 -61.941 -77.952 1.00 13.08 C ATOM 62 CG1 VAL A 8 -61.119 -61.066 -78.291 1.00 13.14 C ATOM 63 CG2 VAL A 8 -62.393 -62.182 -76.458 1.00 12.48 C ATOM 64 H VAL A 8 -64.873 -63.025 -78.382 1.00 0.00 H ATOM 65 N PRO A 9 -64.049 -60.041 -80.528 1.00 12.84 N ATOM 66 CA PRO A 9 -64.103 -59.921 -81.988 1.00 13.19 C ATOM 67 C PRO A 9 -62.714 -59.810 -82.590 1.00 12.30 C ATOM 68 O PRO A 9 -61.847 -59.090 -82.086 1.00 11.97 O ATOM 69 CB PRO A 9 -64.917 -58.638 -82.216 1.00 14.58 C ATOM 70 CG PRO A 9 -65.563 -58.327 -80.901 1.00 18.76 C ATOM 71 CD PRO A 9 -64.630 -58.860 -79.867 1.00 13.78 C ATOM 72 N ALA A 10 -62.511 -60.528 -83.693 1.00 12.18 N ATOM 73 CA ALA A 10 -61.230 -60.472 -84.383 1.00 11.57 C ATOM 74 C ALA A 10 -60.954 -59.100 -84.984 1.00 12.11 C ATOM 75 O ALA A 10 -59.784 -58.761 -85.205 1.00 11.76 O ATOM 76 CB ALA A 10 -61.182 -61.537 -85.473 1.00 11.65 C ATOM 77 H ALA A 10 -63.272 -61.132 -84.064 1.00 0.00 H ATOM 78 N ASN A 11 -61.989 -58.300 -85.239 1.00 14.81 N ATOM 79 CA ASN A 11 -61.804 -56.997 -85.865 1.00 18.68 C ATOM 80 C ASN A 11 -61.666 -55.862 -84.856 1.00 16.46 C ATOM 81 O ASN A 11 -61.578 -54.700 -85.267 1.00 17.81 O ATOM 82 CB ASN A 11 -62.963 -56.702 -86.837 1.00 21.68 C ATOM 83 CG ASN A 11 -64.299 -56.479 -86.135 1.00 20.57 C ATOM 84 OD1 ASN A 11 -64.375 -56.379 -84.911 1.00 18.35 O ATOM 85 ND2 ASN A 11 -65.365 -56.390 -86.925 1.00 20.47 N ATOM 86 HD22 ASN A 11 -65.258 -56.480 -87.955 1.00 0.00 H ATOM 87 HD21 ASN A 11 -66.306 -56.230 -86.512 1.00 0.00 H ATOM 88 H ASN A 11 -62.948 -58.612 -84.986 1.00 0.00 H ATOM 89 N ALA A 12 -61.631 -56.167 -83.558 1.00 14.11 N ATOM 90 CA ALA A 12 -61.450 -55.155 -82.516 1.00 17.18 C ATOM 91 C ALA A 12 -59.957 -54.927 -82.305 1.00 14.29 C ATOM 92 O ALA A 12 -59.293 -55.691 -81.600 1.00 13.27 O ATOM 93 CB ALA A 12 -62.124 -55.592 -81.220 1.00 14.58 C ATOM 94 H ALA A 12 -61.736 -57.162 -83.275 1.00 0.00 H ATOM 95 N GLU A 13 -59.426 -53.856 -82.902 1.00 16.29 N ATOM 96 CA GLU A 13 -57.993 -53.595 -82.809 1.00 15.28 C ATOM 97 C GLU A 13 -57.553 -53.306 -81.378 1.00 15.57 C ATOM 98 O GLU A 13 -56.384 -53.529 -81.043 1.00 15.31 O ATOM 99 CB GLU A 13 -57.619 -52.436 -83.733 1.00 16.76 C ATOM 100 CG GLU A 13 -56.121 -52.182 -83.845 1.00 18.04 C ATOM 101 CD GLU A 13 -55.737 -51.504 -85.149 1.00 20.00 C ATOM 102 OE1 GLU A 13 -56.645 -51.051 -85.877 1.00 22.52 O ATOM 103 OE2 GLU A 13 -54.528 -51.427 -85.451 1.00 20.59 O ATOM 104 H GLU A 13 -60.037 -53.205 -83.436 1.00 0.00 H ATOM 105 N ASN A 14 -58.456 -52.827 -80.529 1.00 16.35 N ATOM 106 CA ASN A 14 -58.146 -52.573 -79.129 1.00 16.81 C ATOM 107 C ASN A 14 -58.663 -53.673 -78.211 1.00 15.58 C ATOM 108 O ASN A 14 -58.656 -53.505 -76.988 1.00 16.44 O ATOM 109 CB ASN A 14 -58.707 -51.217 -78.703 1.00 18.93 C ATOM 110 CG ASN A 14 -58.034 -50.063 -79.423 1.00 23.06 C ATOM 111 OD1 ASN A 14 -56.817 -50.070 -79.621 1.00 25.28 O ATOM 112 ND2 ASN A 14 -58.819 -49.073 -79.830 1.00 34.01 N ATOM 113 HD22 ASN A 14 -59.841 -49.109 -79.641 1.00 0.00 H ATOM 114 HD21 ASN A 14 -58.412 -48.262 -80.338 1.00 0.00 H ATOM 115 H ASN A 14 -59.416 -52.627 -80.876 1.00 0.00 H ATOM 116 N GLY A 15 -59.090 -54.793 -78.770 1.00 14.54 N ATOM 117 CA GLY A 15 -59.466 -55.935 -77.971 1.00 16.18 C ATOM 118 C GLY A 15 -60.793 -55.726 -77.259 1.00 16.19 C ATOM 119 O GLY A 15 -61.565 -54.809 -77.542 1.00 17.12 O ATOM 120 H GLY A 15 -59.156 -54.852 -79.806 1.00 0.00 H ATOM 121 N LYS A 16 -61.046 -56.622 -76.314 1.00 13.86 N ATOM 122 CA LYS A 16 -62.270 -56.621 -75.528 1.00 14.08 C ATOM 123 C LYS A 16 -61.887 -56.460 -74.065 1.00 14.42 C ATOM 124 O LYS A 16 -61.186 -57.309 -73.505 1.00 13.63 O ATOM 125 CB LYS A 16 -63.062 -57.911 -75.755 1.00 13.42 C ATOM 126 CG LYS A 16 -64.292 -58.069 -74.895 1.00 14.21 C ATOM 127 CD LYS A 16 -65.392 -57.085 -75.264 1.00 18.34 C ATOM 128 CE LYS A 16 -66.639 -57.341 -74.431 1.00 32.47 C ATOM 129 NZ LYS A 16 -67.788 -56.489 -74.842 1.00 36.92 N ATOM 130 HZ1 LYS A 16 -67.531 -55.487 -74.733 1.00 0.00 H ATOM 131 HZ2 LYS A 16 -68.023 -56.682 -75.837 1.00 0.00 H ATOM 132 HZ3 LYS A 16 -68.610 -56.705 -74.242 1.00 0.00 H ATOM 133 H LYS A 16 -60.337 -57.359 -76.126 1.00 0.00 H ATOM 134 N SER A 17 -62.338 -55.368 -73.457 1.00 18.74 N ATOM 135 CA SER A 17 -62.107 -55.153 -72.038 1.00 19.40 C ATOM 136 C SER A 17 -63.007 -56.073 -71.223 1.00 19.89 C ATOM 137 O SER A 17 -64.223 -56.112 -71.432 1.00 21.94 O ATOM 138 CB SER A 17 -62.374 -53.690 -71.686 1.00 21.41 C ATOM 139 OG SER A 17 -61.523 -52.828 -72.417 1.00 37.00 O ATOM 140 HG SER A 17 -61.680 -52.955 -73.386 1.00 0.00 H ATOM 141 H SER A 17 -62.864 -54.657 -74.004 1.00 0.00 H ATOM 142 N THR A 18 -62.406 -56.826 -70.298 1.00 15.80 N ATOM 143 CA THR A 18 -63.171 -57.729 -69.446 1.00 21.07 C ATOM 144 C THR A 18 -63.700 -57.048 -68.195 1.00 19.87 C ATOM 145 O THR A 18 -64.608 -57.584 -67.552 1.00 17.96 O ATOM 146 CB THR A 18 -62.319 -58.931 -69.016 1.00 15.55 C ATOM 147 OG1 THR A 18 -61.277 -58.501 -68.128 1.00 15.63 O ATOM 148 CG2 THR A 18 -61.717 -59.638 -70.227 1.00 13.63 C ATOM 149 HG1 THR A 18 -60.701 -57.842 -68.591 1.00 0.00 H ATOM 150 H THR A 18 -61.374 -56.767 -70.183 1.00 0.00 H ATOM 151 N GLY A 19 -63.164 -55.885 -67.839 1.00 18.17 N ATOM 152 CA GLY A 19 -63.496 -55.278 -66.573 1.00 19.75 C ATOM 153 C GLY A 19 -62.858 -55.926 -65.366 1.00 19.68 C ATOM 154 O GLY A 19 -63.090 -55.466 -64.243 1.00 21.10 O ATOM 155 H GLY A 19 -62.498 -55.408 -68.480 1.00 0.00 H ATOM 156 N LEU A 20 -62.063 -56.975 -65.554 1.00 16.35 N ATOM 157 CA LEU A 20 -61.398 -57.646 -64.444 1.00 15.79 C ATOM 158 C LEU A 20 -60.093 -56.927 -64.138 1.00 15.42 C ATOM 159 O LEU A 20 -59.212 -56.834 -65.000 1.00 14.98 O ATOM 160 CB LEU A 20 -61.136 -59.111 -64.783 1.00 17.72 C ATOM 161 CG LEU A 20 -62.374 -59.927 -65.146 1.00 18.26 C ATOM 162 CD1 LEU A 20 -61.975 -61.319 -65.608 1.00 18.26 C ATOM 163 CD2 LEU A 20 -63.335 -60.000 -63.965 1.00 25.71 C ATOM 164 H LEU A 20 -61.911 -57.327 -66.521 1.00 0.00 H ATOM 165 N ILE A 21 -59.965 -56.421 -62.917 1.00 20.53 N ATOM 166 CA ILE A 21 -58.809 -55.632 -62.514 1.00 21.04 C ATOM 167 C ILE A 21 -57.878 -56.577 -61.767 1.00 20.45 C ATOM 168 O ILE A 21 -58.138 -56.949 -60.619 1.00 20.75 O ATOM 169 CB ILE A 21 -59.203 -54.426 -61.659 1.00 26.58 C ATOM 170 CG1 ILE A 21 -60.365 -53.660 -62.308 1.00 21.59 C ATOM 171 CG2 ILE A 21 -58.000 -53.512 -61.464 1.00 22.63 C ATOM 172 CD1 ILE A 21 -60.089 -53.196 -63.737 1.00 21.90 C ATOM 173 H ILE A 21 -60.719 -56.595 -62.222 1.00 0.00 H ATOM 174 N LEU A 22 -56.790 -56.968 -62.423 1.00 17.87 N ATOM 175 CA LEU A 22 -55.874 -57.952 -61.874 1.00 15.17 C ATOM 176 C LEU A 22 -54.724 -57.279 -61.146 1.00 16.40 C ATOM 177 O LEU A 22 -54.325 -56.154 -61.463 1.00 17.84 O ATOM 178 CB LEU A 22 -55.325 -58.852 -62.981 1.00 15.85 C ATOM 179 CG LEU A 22 -56.392 -59.525 -63.844 1.00 16.48 C ATOM 180 CD1 LEU A 22 -55.743 -60.344 -64.955 1.00 18.72 C ATOM 181 CD2 LEU A 22 -57.302 -60.397 -62.991 1.00 14.05 C ATOM 182 H LEU A 22 -56.589 -56.557 -63.357 1.00 0.00 H ATOM 183 N LYS A 23 -54.203 -57.988 -60.154 1.00 17.10 N ATOM 184 CA LYS A 23 -53.041 -57.570 -59.393 1.00 18.83 C ATOM 185 C LYS A 23 -51.944 -58.614 -59.552 1.00 17.97 C ATOM 186 O LYS A 23 -52.222 -59.810 -59.690 1.00 16.21 O ATOM 187 CB LYS A 23 -53.395 -57.400 -57.909 1.00 20.90 C ATOM 188 CG LYS A 23 -52.281 -56.850 -57.052 1.00 42.04 C ATOM 189 CD LYS A 23 -52.080 -57.707 -55.810 1.00 45.78 C ATOM 190 CE LYS A 23 -50.992 -57.149 -54.920 1.00 48.26 C ATOM 191 NZ LYS A 23 -49.652 -57.304 -55.548 1.00 41.64 N ATOM 192 HZ1 LYS A 23 -49.462 -58.313 -55.713 1.00 0.00 H ATOM 193 HZ2 LYS A 23 -49.634 -56.794 -56.454 1.00 0.00 H ATOM 194 HZ3 LYS A 23 -48.926 -56.912 -54.914 1.00 0.00 H ATOM 195 H LYS A 23 -54.652 -58.893 -59.908 1.00 0.00 H ATOM 196 N GLN A 24 -50.695 -58.158 -59.536 1.00 18.83 N ATOM 197 CA GLN A 24 -49.572 -59.084 -59.535 1.00 18.58 C ATOM 198 C GLN A 24 -49.746 -60.118 -58.431 1.00 17.74 C ATOM 199 O GLN A 24 -50.006 -59.775 -57.275 1.00 19.09 O ATOM 200 CB GLN A 24 -48.255 -58.335 -59.343 1.00 21.56 C ATOM 201 CG GLN A 24 -47.038 -59.244 -59.454 1.00 21.70 C ATOM 202 CD GLN A 24 -45.732 -58.526 -59.196 1.00 31.30 C ATOM 203 OE1 GLN A 24 -45.713 -57.365 -58.779 1.00 30.69 O ATOM 204 NE2 GLN A 24 -44.625 -59.219 -59.439 1.00 26.00 N ATOM 205 HE22 GLN A 24 -44.690 -60.196 -59.790 1.00 0.00 H ATOM 206 HE21 GLN A 24 -43.694 -58.785 -59.278 1.00 0.00 H ATOM 207 H GLN A 24 -50.519 -57.133 -59.524 1.00 0.00 H ATOM 208 N GLY A 25 -49.604 -61.387 -58.796 1.00 16.67 N ATOM 209 CA GLY A 25 -49.747 -62.482 -57.865 1.00 16.60 C ATOM 210 C GLY A 25 -51.090 -63.173 -57.907 1.00 15.52 C ATOM 211 O GLY A 25 -51.196 -64.311 -57.436 1.00 17.26 O ATOM 212 H GLY A 25 -49.382 -61.600 -59.789 1.00 0.00 H ATOM 213 N ASP A 26 -52.120 -62.520 -58.440 1.00 15.72 N ATOM 214 CA ASP A 26 -53.350 -63.232 -58.741 1.00 13.39 C ATOM 215 C ASP A 26 -53.050 -64.408 -59.665 1.00 12.67 C ATOM 216 O ASP A 26 -52.043 -64.432 -60.378 1.00 11.48 O ATOM 217 CB ASP A 26 -54.365 -62.305 -59.416 1.00 13.04 C ATOM 218 CG ASP A 26 -54.797 -61.148 -58.537 1.00 14.48 C ATOM 219 OD1 ASP A 26 -54.457 -61.135 -57.332 1.00 15.73 O ATOM 220 OD2 ASP A 26 -55.493 -60.246 -59.062 1.00 14.77 O ATOM 221 H ASP A 26 -52.044 -61.502 -58.641 1.00 0.00 H ATOM 222 N THR A 27 -53.938 -65.400 -59.649 1.00 12.60 N ATOM 223 CA THR A 27 -53.908 -66.459 -60.647 1.00 13.82 C ATOM 224 C THR A 27 -55.225 -66.474 -61.412 1.00 12.09 C ATOM 225 O THR A 27 -56.285 -66.173 -60.856 1.00 14.51 O ATOM 226 CB THR A 27 -53.642 -67.837 -60.021 1.00 14.42 C ATOM 227 OG1 THR A 27 -54.728 -68.215 -59.164 1.00 14.07 O ATOM 228 CG2 THR A 27 -52.336 -67.819 -59.233 1.00 12.64 C ATOM 229 HG1 THR A 27 -54.825 -67.545 -58.441 1.00 0.00 H ATOM 230 H THR A 27 -54.668 -65.419 -58.908 1.00 0.00 H ATOM 231 N ILE A 28 -55.146 -66.812 -62.701 1.00 11.11 N ATOM 232 CA ILE A 28 -56.309 -66.819 -63.580 1.00 11.01 C ATOM 233 C ILE A 28 -56.284 -68.063 -64.456 1.00 10.76 C ATOM 234 O ILE A 28 -55.231 -68.638 -64.740 1.00 11.52 O ATOM 235 CB ILE A 28 -56.388 -65.558 -64.478 1.00 12.43 C ATOM 236 CG1 ILE A 28 -55.224 -65.511 -65.477 1.00 10.43 C ATOM 237 CG2 ILE A 28 -56.401 -64.296 -63.625 1.00 12.37 C ATOM 238 CD1 ILE A 28 -55.436 -64.528 -66.605 1.00 11.31 C ATOM 239 H ILE A 28 -54.221 -67.080 -63.093 1.00 0.00 H ATOM 240 N SER A 29 -57.474 -68.456 -64.907 1.00 11.61 N ATOM 241 CA SER A 29 -57.635 -69.478 -65.927 1.00 12.67 C ATOM 242 C SER A 29 -58.489 -68.913 -67.051 1.00 10.77 C ATOM 243 O SER A 29 -59.372 -68.083 -66.821 1.00 10.39 O ATOM 244 CB SER A 29 -58.294 -70.752 -65.374 1.00 12.36 C ATOM 245 OG SER A 29 -57.462 -71.390 -64.422 1.00 11.61 O ATOM 246 HG SER A 29 -57.912 -72.205 -64.085 1.00 0.00 H ATOM 247 H SER A 29 -58.327 -68.011 -64.511 1.00 0.00 H ATOM 248 N VAL A 30 -58.231 -69.384 -68.268 1.00 9.94 N ATOM 249 CA VAL A 30 -58.949 -68.921 -69.449 1.00 10.07 C ATOM 250 C VAL A 30 -59.181 -70.109 -70.365 1.00 10.54 C ATOM 251 O VAL A 30 -58.307 -70.966 -70.517 1.00 11.07 O ATOM 252 CB VAL A 30 -58.177 -67.815 -70.202 1.00 8.98 C ATOM 253 CG1 VAL A 30 -59.009 -67.285 -71.371 1.00 9.96 C ATOM 254 CG2 VAL A 30 -57.781 -66.684 -69.265 1.00 10.01 C ATOM 255 H VAL A 30 -57.492 -70.107 -68.381 1.00 0.00 H ATOM 256 N VAL A 31 -60.358 -70.154 -70.983 1.00 9.47 N ATOM 257 CA VAL A 31 -60.610 -71.035 -72.119 1.00 9.61 C ATOM 258 C VAL A 31 -61.261 -70.216 -73.220 1.00 8.95 C ATOM 259 O VAL A 31 -62.108 -69.354 -72.953 1.00 8.78 O ATOM 260 CB VAL A 31 -61.496 -72.243 -71.748 1.00 11.05 C ATOM 261 CG1 VAL A 31 -60.781 -73.141 -70.770 1.00 12.64 C ATOM 262 CG2 VAL A 31 -62.840 -71.784 -71.199 1.00 15.42 C ATOM 263 H VAL A 31 -61.126 -69.540 -70.645 1.00 0.00 H ATOM 264 N ALA A 32 -60.862 -70.477 -74.460 1.00 8.60 N ATOM 265 CA ALA A 32 -61.337 -69.704 -75.599 1.00 8.36 C ATOM 266 C ALA A 32 -61.796 -70.650 -76.697 1.00 8.61 C ATOM 267 O ALA A 32 -61.082 -71.593 -77.052 1.00 9.41 O ATOM 268 CB ALA A 32 -60.248 -68.763 -76.123 1.00 7.04 C ATOM 269 H ALA A 32 -60.191 -71.255 -74.622 1.00 0.00 H ATOM 270 N HIS A 33 -62.980 -70.384 -77.237 1.00 9.98 N ATOM 271 CA HIS A 33 -63.602 -71.241 -78.234 1.00 9.79 C ATOM 272 C HIS A 33 -63.828 -70.476 -79.529 1.00 10.80 C ATOM 273 O HIS A 33 -63.927 -69.245 -79.548 1.00 10.32 O ATOM 274 CB HIS A 33 -64.947 -71.789 -77.734 1.00 11.66 C ATOM 275 CG HIS A 33 -64.836 -72.667 -76.529 1.00 11.18 C ATOM 276 ND1 HIS A 33 -64.454 -73.989 -76.609 1.00 11.44 N ATOM 277 CD2 HIS A 33 -65.077 -72.423 -75.219 1.00 14.61 C ATOM 278 CE1 HIS A 33 -64.452 -74.518 -75.399 1.00 14.86 C ATOM 279 NE2 HIS A 33 -64.821 -73.587 -74.537 1.00 15.20 N ATOM 280 H HIS A 33 -63.484 -69.526 -76.934 1.00 0.00 H ATOM 281 N GLY A 34 -63.909 -71.226 -80.616 1.00 12.40 N ATOM 282 CA GLY A 34 -64.411 -70.697 -81.861 1.00 12.07 C ATOM 283 C GLY A 34 -63.344 -70.371 -82.886 1.00 9.31 C ATOM 284 O GLY A 34 -62.182 -70.773 -82.802 1.00 9.03 O ATOM 285 H GLY A 34 -63.604 -72.219 -80.572 1.00 0.00 H ATOM 286 N TRP A 35 -63.770 -69.594 -83.877 1.00 10.40 N ATOM 287 CA TRP A 35 -63.029 -69.441 -85.115 1.00 11.40 C ATOM 288 C TRP A 35 -63.176 -68.016 -85.611 1.00 11.07 C ATOM 289 O TRP A 35 -64.263 -67.436 -85.534 1.00 12.39 O ATOM 290 CB TRP A 35 -63.551 -70.406 -86.172 1.00 11.79 C ATOM 291 CG TRP A 35 -63.349 -71.845 -85.825 1.00 12.12 C ATOM 292 CD1 TRP A 35 -64.275 -72.708 -85.307 1.00 13.90 C ATOM 293 CD2 TRP A 35 -62.141 -72.592 -85.972 1.00 12.42 C ATOM 294 NE1 TRP A 35 -63.714 -73.945 -85.123 1.00 13.47 N ATOM 295 CE2 TRP A 35 -62.403 -73.901 -85.523 1.00 13.03 C ATOM 296 CE3 TRP A 35 -60.860 -72.279 -86.440 1.00 12.75 C ATOM 297 CZ2 TRP A 35 -61.434 -74.899 -85.532 1.00 11.86 C ATOM 298 CZ3 TRP A 35 -59.898 -73.268 -86.445 1.00 11.68 C ATOM 299 CH2 TRP A 35 -60.191 -74.565 -85.998 1.00 10.94 C ATOM 300 HE1 TRP A 35 -64.203 -74.780 -84.742 1.00 0.00 H ATOM 301 H TRP A 35 -64.665 -69.078 -83.761 1.00 0.00 H ATOM 302 N VAL A 36 -62.085 -67.459 -86.127 1.00 10.15 N ATOM 303 CA VAL A 36 -62.129 -66.139 -86.731 1.00 11.47 C ATOM 304 C VAL A 36 -61.375 -66.166 -88.050 1.00 12.44 C ATOM 305 O VAL A 36 -60.610 -67.087 -88.350 1.00 12.29 O ATOM 306 CB VAL A 36 -61.549 -65.043 -85.807 1.00 12.10 C ATOM 307 CG1 VAL A 36 -62.318 -65.006 -84.488 1.00 9.72 C ATOM 308 CG2 VAL A 36 -60.065 -65.257 -85.557 1.00 11.91 C ATOM 309 H VAL A 36 -61.184 -67.978 -86.098 1.00 0.00 H ATOM 310 N LYS A 37 -61.614 -65.128 -88.838 1.00 11.76 N ATOM 311 CA LYS A 37 -60.863 -64.862 -90.052 1.00 12.87 C ATOM 312 C LYS A 37 -59.945 -63.684 -89.780 1.00 12.79 C ATOM 313 O LYS A 37 -60.380 -62.678 -89.206 1.00 11.56 O ATOM 314 CB LYS A 37 -61.804 -64.552 -91.216 1.00 13.35 C ATOM 315 CG LYS A 37 -62.633 -65.749 -91.666 1.00 19.56 C ATOM 316 CD LYS A 37 -62.010 -66.421 -92.865 1.00 24.48 C ATOM 317 CE LYS A 37 -62.375 -65.663 -94.126 1.00 34.69 C ATOM 318 NZ LYS A 37 -61.443 -65.936 -95.225 1.00 28.83 N ATOM 319 HZ1 LYS A 37 -60.483 -65.652 -94.943 1.00 0.00 H ATOM 320 HZ2 LYS A 37 -61.455 -66.953 -95.443 1.00 0.00 H ATOM 321 HZ3 LYS A 37 -61.732 -65.396 -96.066 1.00 0.00 H ATOM 322 H LYS A 37 -62.377 -64.472 -88.574 1.00 0.00 H ATOM 323 N TYR A 38 -58.675 -63.820 -90.152 1.00 9.46 N ATOM 324 CA TYR A 38 -57.752 -62.699 -90.095 1.00 10.79 C ATOM 325 C TYR A 38 -57.482 -62.122 -91.474 1.00 9.87 C ATOM 326 O TYR A 38 -56.674 -61.201 -91.601 1.00 10.10 O ATOM 327 CB TYR A 38 -56.438 -63.106 -89.411 1.00 7.82 C ATOM 328 CG TYR A 38 -55.669 -64.202 -90.098 1.00 8.13 C ATOM 329 CD1 TYR A 38 -55.918 -65.537 -89.815 1.00 7.77 C ATOM 330 CD2 TYR A 38 -54.686 -63.896 -91.024 1.00 10.40 C ATOM 331 CE1 TYR A 38 -55.205 -66.541 -90.449 1.00 11.04 C ATOM 332 CE2 TYR A 38 -53.970 -64.885 -91.661 1.00 9.78 C ATOM 333 CZ TYR A 38 -54.233 -66.205 -91.376 1.00 9.95 C ATOM 334 OH TYR A 38 -53.513 -67.184 -92.022 1.00 11.02 O ATOM 335 HH TYR A 38 -53.816 -68.074 -91.712 1.00 0.00 H ATOM 336 H TYR A 38 -58.337 -64.744 -90.489 1.00 0.00 H ATOM 337 N GLY A 39 -58.169 -62.628 -92.496 1.00 10.67 N ATOM 338 CA GLY A 39 -58.107 -62.098 -93.845 1.00 11.50 C ATOM 339 C GLY A 39 -59.292 -62.614 -94.632 1.00 12.73 C ATOM 340 O GLY A 39 -60.066 -63.450 -94.159 1.00 13.03 O ATOM 341 H GLY A 39 -58.784 -63.448 -92.318 1.00 0.00 H ATOM 342 N ARG A 40 -59.433 -62.100 -95.852 1.00 16.09 N ATOM 343 CA ARG A 40 -60.603 -62.426 -96.660 1.00 19.34 C ATOM 344 C ARG A 40 -60.459 -63.740 -97.413 1.00 19.61 C ATOM 345 O ARG A 40 -61.470 -64.288 -97.870 1.00 22.52 O ATOM 346 CB ARG A 40 -60.881 -61.304 -97.657 1.00 18.62 C ATOM 347 CG ARG A 40 -61.112 -59.953 -97.012 1.00 23.55 C ATOM 348 CD ARG A 40 -62.578 -59.713 -96.693 1.00 33.53 C ATOM 349 NE ARG A 40 -63.316 -59.241 -97.864 1.00 48.54 N ATOM 350 CZ ARG A 40 -64.163 -59.972 -98.588 1.00 49.14 C ATOM 351 NH1 ARG A 40 -64.419 -61.237 -98.279 1.00 50.16 N ATOM 352 NH2 ARG A 40 -64.770 -59.424 -99.631 1.00 33.04 N ATOM 353 HE ARG A 40 -63.168 -58.254 -98.156 1.00 0.00 H ATOM 354 HH12 ARG A 40 -65.084 -61.789 -98.858 1.00 0.00 H ATOM 355 HH11 ARG A 40 -63.955 -61.676 -97.458 1.00 0.00 H ATOM 356 HH22 ARG A 40 -65.433 -59.987-100.202 1.00 0.00 H ATOM 357 HH21 ARG A 40 -64.584 -58.431 -99.879 1.00 0.00 H ATOM 358 H ARG A 40 -58.704 -61.462 -96.231 1.00 0.00 H ATOM 359 N ASP A 41 -59.244 -64.259 -97.556 1.00 19.36 N ATOM 360 CA ASP A 41 -59.047 -65.467 -98.338 1.00 20.22 C ATOM 361 C ASP A 41 -59.513 -66.697 -97.565 1.00 20.71 C ATOM 362 O ASP A 41 -59.528 -66.723 -96.329 1.00 19.13 O ATOM 363 CB ASP A 41 -57.581 -65.617 -98.739 1.00 20.44 C ATOM 364 CG ASP A 41 -57.234 -64.840-100.000 1.00 36.62 C ATOM 365 OD1 ASP A 41 -58.109 -64.128-100.543 1.00 33.24 O ATOM 366 OD2 ASP A 41 -56.078 -64.947-100.453 1.00 36.76 O ATOM 367 H ASP A 41 -58.429 -63.797 -97.105 1.00 0.00 H ATOM 368 N ASN A 42 -59.896 -67.728 -98.320 1.00 20.55 N ATOM 369 CA ASN A 42 -60.496 -68.920 -97.731 1.00 19.06 C ATOM 370 C ASN A 42 -59.566 -69.618 -96.746 1.00 20.20 C ATOM 371 O ASN A 42 -60.046 -70.346 -95.870 1.00 20.48 O ATOM 372 CB ASN A 42 -60.912 -69.873 -98.853 1.00 24.62 C ATOM 373 CG ASN A 42 -61.469 -71.184 -98.338 1.00 38.42 C ATOM 374 OD1 ASN A 42 -62.594 -71.243 -97.841 1.00 30.22 O ATOM 375 ND2 ASN A 42 -60.690 -72.251 -98.480 1.00 34.42 N ATOM 376 HD22 ASN A 42 -59.746 -72.153 -98.906 1.00 0.00 H ATOM 377 HD21 ASN A 42 -61.024 -73.184 -98.165 1.00 0.00 H ATOM 378 H ASN A 42 -59.764 -67.681 -99.351 1.00 0.00 H ATOM 379 N VAL A 43 -58.252 -69.400 -96.850 1.00 16.75 N ATOM 380 CA VAL A 43 -57.299 -70.080 -95.975 1.00 17.05 C ATOM 381 C VAL A 43 -57.016 -69.312 -94.685 1.00 16.30 C ATOM 382 O VAL A 43 -56.440 -69.884 -93.744 1.00 14.27 O ATOM 383 CB VAL A 43 -56.004 -70.348 -96.776 1.00 17.10 C ATOM 384 CG1 VAL A 43 -54.960 -69.256 -96.570 1.00 16.67 C ATOM 385 CG2 VAL A 43 -55.450 -71.722 -96.461 1.00 28.11 C ATOM 386 H VAL A 43 -57.901 -68.734 -97.567 1.00 0.00 H ATOM 387 N GLU A 44 -57.431 -68.052 -94.590 1.00 17.41 N ATOM 388 CA GLU A 44 -56.968 -67.178 -93.509 1.00 11.69 C ATOM 389 C GLU A 44 -57.853 -67.311 -92.266 1.00 14.13 C ATOM 390 O GLU A 44 -58.460 -66.355 -91.787 1.00 11.19 O ATOM 391 CB GLU A 44 -56.901 -65.740 -94.006 1.00 11.86 C ATOM 392 CG GLU A 44 -55.812 -65.538 -95.055 1.00 16.07 C ATOM 393 CD GLU A 44 -55.754 -64.128 -95.608 1.00 12.56 C ATOM 394 OE1 GLU A 44 -56.723 -63.677 -96.256 1.00 13.83 O ATOM 395 OE2 GLU A 44 -54.724 -63.467 -95.401 1.00 15.05 O ATOM 396 H GLU A 44 -58.097 -67.680 -95.297 1.00 0.00 H ATOM 397 N TRP A 45 -57.884 -68.530 -91.731 1.00 13.38 N ATOM 398 CA TRP A 45 -58.637 -68.871 -90.532 1.00 10.71 C ATOM 399 C TRP A 45 -57.701 -68.982 -89.336 1.00 10.56 C ATOM 400 O TRP A 45 -56.553 -69.413 -89.467 1.00 10.17 O ATOM 401 CB TRP A 45 -59.369 -70.201 -90.707 1.00 12.10 C ATOM 402 CG TRP A 45 -60.567 -70.158 -91.596 1.00 11.97 C ATOM 403 CD1 TRP A 45 -60.603 -70.409 -92.938 1.00 16.31 C ATOM 404 CD2 TRP A 45 -61.914 -69.872 -91.204 1.00 13.26 C ATOM 405 NE1 TRP A 45 -61.889 -70.288 -93.405 1.00 17.11 N ATOM 406 CE2 TRP A 45 -62.713 -69.961 -92.361 1.00 15.95 C ATOM 407 CE3 TRP A 45 -62.523 -69.545 -89.988 1.00 14.43 C ATOM 408 CZ2 TRP A 45 -64.084 -69.732 -92.338 1.00 18.04 C ATOM 409 CZ3 TRP A 45 -63.883 -69.318 -89.969 1.00 16.86 C ATOM 410 CH2 TRP A 45 -64.649 -69.414 -91.135 1.00 21.87 C ATOM 411 HE1 TRP A 45 -62.189 -70.423 -94.392 1.00 0.00 H ATOM 412 H TRP A 45 -57.338 -69.283 -92.197 1.00 0.00 H ATOM 413 N ALA A 46 -58.209 -68.611 -88.159 1.00 12.76 N ATOM 414 CA ALA A 46 -57.460 -68.779 -86.922 1.00 10.44 C ATOM 415 C ALA A 46 -58.358 -69.312 -85.817 1.00 9.79 C ATOM 416 O ALA A 46 -59.516 -68.906 -85.683 1.00 11.01 O ATOM 417 CB ALA A 46 -56.826 -67.467 -86.453 1.00 7.95 C ATOM 418 H ALA A 46 -59.161 -68.193 -88.125 1.00 0.00 H ATOM 419 N ALA A 47 -57.807 -70.231 -85.039 1.00 7.66 N ATOM 420 CA ALA A 47 -58.302 -70.547 -83.710 1.00 7.61 C ATOM 421 C ALA A 47 -57.636 -69.619 -82.708 1.00 7.27 C ATOM 422 O ALA A 47 -56.730 -68.855 -83.055 1.00 7.26 O ATOM 423 CB ALA A 47 -58.011 -72.010 -83.386 1.00 8.88 C ATOM 424 H ALA A 47 -56.980 -70.751 -85.396 1.00 0.00 H ATOM 425 N PRO A 48 -58.049 -69.649 -81.439 1.00 10.15 N ATOM 426 CA PRO A 48 -57.321 -68.841 -80.447 1.00 7.87 C ATOM 427 C PRO A 48 -55.824 -69.119 -80.428 1.00 8.00 C ATOM 428 O PRO A 48 -55.030 -68.186 -80.267 1.00 9.17 O ATOM 429 CB PRO A 48 -58.004 -69.221 -79.128 1.00 8.63 C ATOM 430 CG PRO A 48 -59.383 -69.603 -79.524 1.00 8.81 C ATOM 431 CD PRO A 48 -59.235 -70.296 -80.854 1.00 8.97 C ATOM 432 N ASP A 49 -55.422 -70.382 -80.594 1.00 8.33 N ATOM 433 CA ASP A 49 -54.008 -70.745 -80.657 1.00 10.55 C ATOM 434 C ASP A 49 -53.286 -70.090 -81.827 1.00 9.06 C ATOM 435 O ASP A 49 -52.056 -69.964 -81.787 1.00 12.51 O ATOM 436 CB ASP A 49 -53.852 -72.266 -80.778 1.00 10.99 C ATOM 437 CG ASP A 49 -53.522 -72.951 -79.455 1.00 12.43 C ATOM 438 OD1 ASP A 49 -53.765 -72.378 -78.369 1.00 10.84 O ATOM 439 OD2 ASP A 49 -53.004 -74.089 -79.507 1.00 12.13 O ATOM 440 H ASP A 49 -56.138 -71.131 -80.681 1.00 0.00 H ATOM 441 N GLY A 50 -54.008 -69.709 -82.878 1.00 10.05 N ATOM 442 CA GLY A 50 -53.414 -68.990 -83.979 1.00 8.97 C ATOM 443 C GLY A 50 -53.872 -69.459 -85.347 1.00 8.04 C ATOM 444 O GLY A 50 -54.824 -70.232 -85.486 1.00 9.43 O ATOM 445 H GLY A 50 -55.023 -69.934 -82.906 1.00 0.00 H ATOM 446 N PRO A 51 -53.198 -68.980 -86.392 1.00 9.89 N ATOM 447 CA PRO A 51 -53.564 -69.392 -87.751 1.00 10.21 C ATOM 448 C PRO A 51 -53.519 -70.904 -87.909 1.00 11.34 C ATOM 449 O PRO A 51 -52.657 -71.584 -87.347 1.00 10.74 O ATOM 450 CB PRO A 51 -52.507 -68.710 -88.630 1.00 10.03 C ATOM 451 CG PRO A 51 -52.035 -67.539 -87.822 1.00 10.33 C ATOM 452 CD PRO A 51 -52.106 -67.993 -86.383 1.00 8.63 C ATOM 453 N VAL A 52 -54.454 -71.423 -88.697 1.00 11.51 N ATOM 454 CA VAL A 52 -54.393 -72.814 -89.135 1.00 12.28 C ATOM 455 C VAL A 52 -53.022 -73.010 -89.775 1.00 11.50 C ATOM 456 O VAL A 52 -52.596 -72.164 -90.575 1.00 12.24 O ATOM 457 CB VAL A 52 -55.546 -73.140 -90.098 1.00 12.36 C ATOM 458 CG1 VAL A 52 -55.451 -74.573 -90.602 1.00 14.59 C ATOM 459 CG2 VAL A 52 -56.881 -72.906 -89.397 1.00 11.55 C ATOM 460 H VAL A 52 -55.246 -70.826 -89.008 1.00 0.00 H ATOM 461 N PRO A 53 -52.285 -74.082 -89.456 1.00 11.83 N ATOM 462 CA PRO A 53 -50.865 -74.136 -89.845 1.00 12.28 C ATOM 463 C PRO A 53 -50.593 -74.305 -91.331 1.00 13.18 C ATOM 464 O PRO A 53 -49.415 -74.333 -91.702 1.00 15.76 O ATOM 465 CB PRO A 53 -50.331 -75.353 -89.071 1.00 20.18 C ATOM 466 CG PRO A 53 -51.289 -75.563 -87.968 1.00 22.77 C ATOM 467 CD PRO A 53 -52.623 -75.160 -88.513 1.00 15.00 C ATOM 468 N ASN A 54 -51.599 -74.442 -92.195 1.00 13.34 N ATOM 469 CA ASN A 54 -51.332 -74.456 -93.631 1.00 13.51 C ATOM 470 C ASN A 54 -51.175 -73.057 -94.203 1.00 13.95 C ATOM 471 O ASN A 54 -51.043 -72.913 -95.423 1.00 15.58 O ATOM 472 CB ASN A 54 -52.434 -75.200 -94.389 1.00 15.13 C ATOM 473 CG ASN A 54 -53.812 -74.617 -94.151 1.00 16.30 C ATOM 474 OD1 ASN A 54 -53.976 -73.636 -93.427 1.00 16.72 O ATOM 475 ND2 ASN A 54 -54.815 -75.223 -94.768 1.00 18.30 N ATOM 476 HD22 ASN A 54 -54.631 -76.050 -95.371 1.00 0.00 H ATOM 477 HD21 ASN A 54 -55.787 -74.872 -94.649 1.00 0.00 H ATOM 478 H ASN A 54 -52.574 -74.539 -91.847 1.00 0.00 H ATOM 479 N ASN A 55 -51.187 -72.035 -93.354 1.00 17.29 N ATOM 480 CA ASN A 55 -50.955 -70.662 -93.776 1.00 15.42 C ATOM 481 C ASN A 55 -50.359 -69.892 -92.607 1.00 13.94 C ATOM 482 O ASN A 55 -50.975 -68.946 -92.095 1.00 14.30 O ATOM 483 CB ASN A 55 -52.247 -70.012 -94.270 1.00 15.62 C ATOM 484 CG ASN A 55 -51.984 -68.823 -95.165 1.00 24.03 C ATOM 485 OD1 ASN A 55 -51.352 -68.956 -96.211 1.00 19.41 O ATOM 486 ND2 ASN A 55 -52.462 -67.653 -94.760 1.00 14.64 N ATOM 487 HD22 ASN A 55 -52.991 -67.588 -93.867 1.00 0.00 H ATOM 488 HD21 ASN A 55 -52.307 -66.801 -95.336 1.00 0.00 H ATOM 489 H ASN A 55 -51.369 -72.224 -92.348 1.00 0.00 H ATOM 490 N PRO A 56 -49.157 -70.264 -92.171 1.00 12.26 N ATOM 491 CA PRO A 56 -48.587 -69.669 -90.960 1.00 14.22 C ATOM 492 C PRO A 56 -48.292 -68.187 -91.114 1.00 12.48 C ATOM 493 O PRO A 56 -48.014 -67.684 -92.207 1.00 14.27 O ATOM 494 CB PRO A 56 -47.295 -70.469 -90.752 1.00 16.47 C ATOM 495 CG PRO A 56 -46.934 -70.955 -92.118 1.00 21.96 C ATOM 496 CD PRO A 56 -48.243 -71.242 -92.787 1.00 22.74 C ATOM 497 N GLN A 57 -48.338 -67.499 -89.986 1.00 13.81 N ATOM 498 CA GLN A 57 -48.059 -66.072 -89.883 1.00 13.50 C ATOM 499 C GLN A 57 -46.967 -65.869 -88.853 1.00 11.98 C ATOM 500 O GLN A 57 -46.590 -66.803 -88.141 1.00 11.69 O ATOM 501 CB GLN A 57 -49.331 -65.307 -89.486 1.00 11.16 C ATOM 502 CG GLN A 57 -50.483 -65.487 -90.465 1.00 10.90 C ATOM 503 CD GLN A 57 -50.149 -64.971 -91.843 1.00 12.81 C ATOM 504 OE1 GLN A 57 -49.599 -63.879 -91.990 1.00 11.69 O ATOM 505 NE2 GLN A 57 -50.459 -65.763 -92.865 1.00 13.65 N ATOM 506 HE22 GLN A 57 -50.923 -66.677 -92.692 1.00 0.00 H ATOM 507 HE21 GLN A 57 -50.237 -65.468 -93.837 1.00 0.00 H ATOM 508 H GLN A 57 -48.590 -68.009 -89.115 1.00 0.00 H ATOM 509 N PRO A 58 -46.415 -64.656 -88.758 1.00 11.29 N ATOM 510 CA PRO A 58 -45.286 -64.437 -87.846 1.00 12.67 C ATOM 511 C PRO A 58 -45.639 -64.714 -86.393 1.00 10.21 C ATOM 512 O PRO A 58 -46.804 -64.739 -85.990 1.00 10.42 O ATOM 513 CB PRO A 58 -44.938 -62.959 -88.056 1.00 11.77 C ATOM 514 CG PRO A 58 -45.381 -62.675 -89.457 1.00 12.46 C ATOM 515 CD PRO A 58 -46.651 -63.481 -89.615 1.00 9.74 C ATOM 516 N SER A 59 -44.585 -64.906 -85.605 1.00 12.72 N ATOM 517 CA SER A 59 -44.721 -65.214 -84.187 1.00 13.86 C ATOM 518 C SER A 59 -45.666 -64.237 -83.500 1.00 12.04 C ATOM 519 O SER A 59 -45.516 -63.020 -83.626 1.00 12.01 O ATOM 520 CB SER A 59 -43.343 -65.163 -83.527 1.00 18.46 C ATOM 521 OG SER A 59 -43.444 -65.330 -82.122 1.00 21.57 O ATOM 522 HG SER A 59 -44.004 -64.606 -81.744 1.00 0.00 H ATOM 523 H SER A 59 -43.632 -64.834 -86.014 1.00 0.00 H ATOM 524 N SER A 60 -46.633 -64.785 -82.762 1.00 13.47 N ATOM 525 CA SER A 60 -47.639 -64.094 -81.960 1.00 15.50 C ATOM 526 C SER A 60 -48.784 -63.527 -82.803 1.00 14.16 C ATOM 527 O SER A 60 -49.788 -63.100 -82.230 1.00 11.26 O ATOM 528 CB SER A 60 -47.057 -62.951 -81.101 1.00 14.31 C ATOM 529 OG SER A 60 -46.960 -61.738 -81.835 1.00 17.12 O ATOM 530 HG SER A 60 -46.368 -61.873 -82.617 1.00 0.00 H ATOM 531 H SER A 60 -46.675 -65.824 -82.757 1.00 0.00 H ATOM 532 N ILE A 61 -48.688 -63.509 -84.128 1.00 8.87 N ATOM 533 CA ILE A 61 -49.684 -62.816 -84.934 1.00 8.00 C ATOM 534 C ILE A 61 -50.913 -63.695 -85.099 1.00 7.54 C ATOM 535 O ILE A 61 -50.815 -64.916 -85.272 1.00 8.43 O ATOM 536 CB ILE A 61 -49.089 -62.407 -86.296 1.00 8.18 C ATOM 537 CG1 ILE A 61 -47.978 -61.369 -86.101 1.00 8.89 C ATOM 538 CG2 ILE A 61 -50.167 -61.874 -87.254 1.00 9.43 C ATOM 539 CD1 ILE A 61 -48.371 -60.117 -85.293 1.00 10.45 C ATOM 540 H ILE A 61 -47.895 -63.994 -84.594 1.00 0.00 H ATOM 541 N ALA A 62 -52.081 -63.061 -85.034 1.00 9.02 N ATOM 542 CA ALA A 62 -53.366 -63.734 -85.213 1.00 9.09 C ATOM 543 C ALA A 62 -53.565 -64.827 -84.170 1.00 8.35 C ATOM 544 O ALA A 62 -54.122 -65.886 -84.460 1.00 8.66 O ATOM 545 CB ALA A 62 -53.500 -64.297 -86.632 1.00 10.66 C ATOM 546 H ALA A 62 -52.080 -62.038 -84.847 1.00 0.00 H ATOM 547 N THR A 63 -53.084 -64.572 -82.952 1.00 8.54 N ATOM 548 CA THR A 63 -53.346 -65.413 -81.794 1.00 11.26 C ATOM 549 C THR A 63 -54.124 -64.611 -80.754 1.00 11.00 C ATOM 550 O THR A 63 -54.124 -63.373 -80.758 1.00 10.65 O ATOM 551 CB THR A 63 -52.045 -65.947 -81.162 1.00 10.43 C ATOM 552 OG1 THR A 63 -51.318 -64.871 -80.552 1.00 13.62 O ATOM 553 CG2 THR A 63 -51.158 -66.620 -82.200 1.00 12.40 C ATOM 554 HG1 THR A 63 -50.485 -65.224 -80.149 1.00 0.00 H ATOM 555 H THR A 63 -52.491 -63.728 -82.824 1.00 0.00 H ATOM 556 N LEU A 64 -54.790 -65.328 -79.850 1.00 9.54 N ATOM 557 CA LEU A 64 -55.480 -64.683 -78.740 1.00 11.02 C ATOM 558 C LEU A 64 -54.475 -64.422 -77.626 1.00 9.70 C ATOM 559 O LEU A 64 -53.823 -65.355 -77.151 1.00 10.85 O ATOM 560 CB LEU A 64 -56.626 -65.553 -78.230 1.00 9.64 C ATOM 561 CG LEU A 64 -57.375 -64.977 -77.023 1.00 10.31 C ATOM 562 CD1 LEU A 64 -58.122 -63.692 -77.394 1.00 10.72 C ATOM 563 CD2 LEU A 64 -58.324 -66.006 -76.413 1.00 11.27 C ATOM 564 H LEU A 64 -54.818 -66.364 -79.938 1.00 0.00 H ATOM 565 N VAL A 65 -54.341 -63.159 -77.217 1.00 7.98 N ATOM 566 CA VAL A 65 -53.419 -62.793 -76.152 1.00 8.51 C ATOM 567 C VAL A 65 -54.170 -62.042 -75.059 1.00 8.53 C ATOM 568 O VAL A 65 -55.270 -61.522 -75.259 1.00 9.20 O ATOM 569 CB VAL A 65 -52.236 -61.944 -76.665 1.00 8.74 C ATOM 570 CG1 VAL A 65 -51.443 -62.714 -77.718 1.00 8.58 C ATOM 571 CG2 VAL A 65 -52.713 -60.605 -77.224 1.00 10.04 C ATOM 572 H VAL A 65 -54.910 -62.417 -77.671 1.00 0.00 H ATOM 573 N ALA A 66 -53.548 -61.996 -73.887 1.00 13.59 N ATOM 574 CA ALA A 66 -53.992 -61.147 -72.793 1.00 13.07 C ATOM 575 C ALA A 66 -53.131 -59.892 -72.772 1.00 15.20 C ATOM 576 O ALA A 66 -51.899 -59.981 -72.755 1.00 15.13 O ATOM 577 CB ALA A 66 -53.891 -61.878 -71.454 1.00 11.00 C ATOM 578 H ALA A 66 -52.708 -62.592 -73.745 1.00 0.00 H ATOM 579 N LYS A 67 -53.775 -58.731 -72.803 1.00 11.85 N ATOM 580 CA LYS A 67 -53.094 -57.454 -72.633 1.00 13.00 C ATOM 581 C LYS A 67 -53.352 -56.958 -71.217 1.00 13.87 C ATOM 582 O LYS A 67 -54.507 -56.756 -70.829 1.00 14.77 O ATOM 583 CB LYS A 67 -53.575 -56.413 -73.644 1.00 16.15 C ATOM 584 CG LYS A 67 -52.742 -56.296 -74.900 1.00 23.30 C ATOM 585 CD LYS A 67 -52.571 -54.830 -75.308 1.00 36.86 C ATOM 586 CE LYS A 67 -53.906 -54.102 -75.457 1.00 31.30 C ATOM 587 NZ LYS A 67 -53.724 -52.689 -75.883 1.00 37.64 N ATOM 588 HZ1 LYS A 67 -53.155 -52.185 -75.173 1.00 0.00 H ATOM 589 HZ2 LYS A 67 -53.236 -52.665 -76.801 1.00 0.00 H ATOM 590 HZ3 LYS A 67 -54.654 -52.232 -75.972 1.00 0.00 H ATOM 591 H LYS A 67 -54.804 -58.733 -72.954 1.00 0.00 H ATOM 592 N ILE A 68 -52.281 -56.765 -70.453 1.00 14.34 N ATOM 593 CA ILE A 68 -52.369 -56.275 -69.082 1.00 15.47 C ATOM 594 C ILE A 68 -51.378 -55.126 -68.958 1.00 17.15 C ATOM 595 O ILE A 68 -50.162 -55.343 -68.997 1.00 17.74 O ATOM 596 CB ILE A 68 -52.077 -57.373 -68.048 1.00 14.85 C ATOM 597 CG1 ILE A 68 -52.902 -58.628 -68.359 1.00 14.58 C ATOM 598 CG2 ILE A 68 -52.382 -56.872 -66.641 1.00 17.59 C ATOM 599 CD1 ILE A 68 -52.549 -59.832 -67.501 1.00 13.13 C ATOM 600 H ILE A 68 -51.342 -56.972 -70.849 1.00 0.00 H ATOM 601 N ALA A 69 -51.897 -53.907 -68.814 1.00 18.85 N ATOM 602 CA ALA A 69 -51.077 -52.704 -68.710 1.00 20.97 C ATOM 603 C ALA A 69 -50.088 -52.606 -69.872 1.00 21.17 C ATOM 604 O ALA A 69 -48.889 -52.394 -69.687 1.00 22.97 O ATOM 605 CB ALA A 69 -50.347 -52.659 -67.369 1.00 21.85 C ATOM 606 H ALA A 69 -52.932 -53.809 -68.774 1.00 0.00 H ATOM 607 N ASN A 70 -50.608 -52.744 -71.088 1.00 26.67 N ATOM 608 CA ASN A 70 -49.806 -52.634 -72.307 1.00 34.40 C ATOM 609 C ASN A 70 -48.706 -53.693 -72.381 1.00 35.85 C ATOM 610 O ASN A 70 -47.730 -53.527 -73.120 1.00 45.33 O ATOM 611 CB ASN A 70 -49.189 -51.234 -72.444 1.00 34.88 C ATOM 612 CG ASN A 70 -50.236 -50.145 -72.605 1.00 38.88 C ATOM 613 OD1 ASN A 70 -50.287 -49.197 -71.822 1.00 58.56 O ATOM 614 ND2 ASN A 70 -51.071 -50.273 -73.630 1.00 44.87 N ATOM 615 HD22 ASN A 70 -50.991 -51.091 -74.267 1.00 0.00 H ATOM 616 HD21 ASN A 70 -51.805 -49.555 -73.796 1.00 0.00 H ATOM 617 H ASN A 70 -51.626 -52.938 -71.176 1.00 0.00 H ATOM 618 N LYS A 71 -48.836 -54.773 -71.617 1.00 32.55 N ATOM 619 CA LYS A 71 -47.996 -55.953 -71.761 1.00 26.80 C ATOM 620 C LYS A 71 -48.851 -57.080 -72.318 1.00 20.87 C ATOM 621 O LYS A 71 -50.017 -57.220 -71.940 1.00 20.58 O ATOM 622 CB LYS A 71 -47.391 -56.373 -70.421 1.00 29.28 C ATOM 623 CG LYS A 71 -46.030 -57.029 -70.535 1.00 46.00 C ATOM 624 CD LYS A 71 -44.909 -56.001 -70.489 1.00 33.44 C ATOM 625 CE LYS A 71 -44.647 -55.528 -69.072 1.00 35.42 C ATOM 626 NZ LYS A 71 -43.432 -54.661 -68.983 1.00 48.07 N ATOM 627 HZ1 LYS A 71 -42.601 -55.197 -69.305 1.00 0.00 H ATOM 628 HZ2 LYS A 71 -43.560 -53.823 -69.586 1.00 0.00 H ATOM 629 HZ3 LYS A 71 -43.293 -54.362 -67.997 1.00 0.00 H ATOM 630 H LYS A 71 -49.572 -54.775 -70.882 1.00 0.00 H ATOM 631 N LYS A 72 -48.283 -57.875 -73.226 1.00 16.78 N ATOM 632 CA LYS A 72 -49.013 -58.954 -73.880 1.00 15.42 C ATOM 633 C LYS A 72 -48.510 -60.304 -73.393 1.00 16.07 C ATOM 634 O LYS A 72 -47.301 -60.511 -73.247 1.00 18.21 O ATOM 635 CB LYS A 72 -48.869 -58.900 -75.402 1.00 19.18 C ATOM 636 CG LYS A 72 -49.722 -57.861 -76.077 1.00 31.68 C ATOM 637 CD LYS A 72 -49.514 -57.920 -77.574 1.00 20.68 C ATOM 638 CE LYS A 72 -49.997 -56.661 -78.255 1.00 20.43 C ATOM 639 NZ LYS A 72 -49.394 -56.540 -79.598 1.00 25.11 N ATOM 640 HZ1 LYS A 72 -48.358 -56.503 -79.510 1.00 0.00 H ATOM 641 HZ2 LYS A 72 -49.665 -57.363 -80.174 1.00 0.00 H ATOM 642 HZ3 LYS A 72 -49.736 -55.670 -80.053 1.00 0.00 H ATOM 643 H LYS A 72 -47.285 -57.720 -73.476 1.00 0.00 H ATOM 644 N PHE A 73 -49.444 -61.224 -73.170 1.00 10.24 N ATOM 645 CA PHE A 73 -49.129 -62.572 -72.730 1.00 9.64 C ATOM 646 C PHE A 73 -49.908 -63.575 -73.567 1.00 8.99 C ATOM 647 O PHE A 73 -51.061 -63.329 -73.937 1.00 10.09 O ATOM 648 CB PHE A 73 -49.455 -62.756 -71.234 1.00 9.91 C ATOM 649 CG PHE A 73 -48.791 -61.743 -70.345 1.00 11.26 C ATOM 650 CD1 PHE A 73 -47.496 -61.939 -69.899 1.00 13.64 C ATOM 651 CD2 PHE A 73 -49.455 -60.588 -69.964 1.00 11.80 C ATOM 652 CE1 PHE A 73 -46.878 -61.013 -69.082 1.00 13.91 C ATOM 653 CE2 PHE A 73 -48.838 -59.655 -69.150 1.00 13.78 C ATOM 654 CZ PHE A 73 -47.547 -59.869 -68.711 1.00 14.32 C ATOM 655 H PHE A 73 -50.441 -60.968 -73.317 1.00 0.00 H ATOM 656 N ALA A 74 -49.274 -64.706 -73.867 1.00 11.91 N ATOM 657 CA ALA A 74 -49.933 -65.747 -74.640 1.00 13.22 C ATOM 658 C ALA A 74 -51.071 -66.386 -73.848 1.00 11.65 C ATOM 659 O ALA A 74 -50.936 -66.690 -72.659 1.00 12.23 O ATOM 660 CB ALA A 74 -48.925 -66.819 -75.058 1.00 11.89 C ATOM 661 H ALA A 74 -48.295 -64.847 -73.545 1.00 0.00 H ATOM 662 N ILE A 75 -52.197 -66.592 -74.528 1.00 10.12 N ATOM 663 CA ILE A 75 -53.368 -67.263 -73.969 1.00 9.43 C ATOM 664 C ILE A 75 -53.750 -68.398 -74.910 1.00 10.66 C ATOM 665 O ILE A 75 -53.776 -69.574 -74.523 1.00 9.41 O ATOM 666 CB ILE A 75 -54.538 -66.278 -73.786 1.00 10.67 C ATOM 667 CG1 ILE A 75 -54.178 -65.176 -72.783 1.00 11.77 C ATOM 668 CG2 ILE A 75 -55.805 -67.009 -73.362 1.00 11.53 C ATOM 669 CD1 ILE A 75 -53.987 -65.658 -71.347 1.00 12.99 C ATOM 670 H ILE A 75 -52.246 -66.257 -75.511 1.00 0.00 H ATOM 671 N GLY A 76 -54.034 -68.051 -76.161 1.00 9.46 N ATOM 672 CA GLY A 76 -54.426 -69.062 -77.122 1.00 9.72 C ATOM 673 C GLY A 76 -55.711 -69.748 -76.704 1.00 7.62 C ATOM 674 O GLY A 76 -56.651 -69.122 -76.199 1.00 8.89 O ATOM 675 H GLY A 76 -53.975 -67.054 -76.450 1.00 0.00 H ATOM 676 N ASN A 77 -55.761 -71.066 -76.914 1.00 7.85 N ATOM 677 CA ASN A 77 -56.959 -71.820 -76.573 1.00 9.45 C ATOM 678 C ASN A 77 -57.256 -71.783 -75.082 1.00 8.70 C ATOM 679 O ASN A 77 -58.398 -72.037 -74.689 1.00 9.12 O ATOM 680 CB ASN A 77 -56.832 -73.271 -77.034 1.00 8.19 C ATOM 681 CG ASN A 77 -56.804 -73.396 -78.551 1.00 8.72 C ATOM 682 OD1 ASN A 77 -57.041 -72.417 -79.262 1.00 8.76 O ATOM 683 ND2 ASN A 77 -56.503 -74.593 -79.051 1.00 10.84 N ATOM 684 HD22 ASN A 77 -56.310 -75.390 -78.412 1.00 0.00 H ATOM 685 HD21 ASN A 77 -56.460 -74.731 -80.081 1.00 0.00 H ATOM 686 H ASN A 77 -54.940 -71.556 -77.323 1.00 0.00 H ATOM 687 N GLY A 78 -56.270 -71.479 -74.250 1.00 9.29 N ATOM 688 CA GLY A 78 -56.532 -71.300 -72.835 1.00 10.86 C ATOM 689 C GLY A 78 -55.294 -71.513 -71.997 1.00 9.39 C ATOM 690 O GLY A 78 -54.255 -71.977 -72.466 1.00 11.15 O ATOM 691 H GLY A 78 -55.302 -71.368 -74.614 1.00 0.00 H ATOM 692 N VAL A 79 -55.440 -71.174 -70.718 1.00 9.28 N ATOM 693 CA VAL A 79 -54.403 -71.368 -69.714 1.00 7.68 C ATOM 694 C VAL A 79 -55.090 -71.745 -68.411 1.00 7.80 C ATOM 695 O VAL A 79 -56.238 -71.360 -68.168 1.00 8.18 O ATOM 696 CB VAL A 79 -53.532 -70.108 -69.508 1.00 7.74 C ATOM 697 CG1 VAL A 79 -52.787 -69.742 -70.776 1.00 11.22 C ATOM 698 CG2 VAL A 79 -54.379 -68.938 -69.028 1.00 10.42 C ATOM 699 H VAL A 79 -56.341 -70.749 -70.420 1.00 0.00 H ATOM 700 N LEU A 80 -54.375 -72.486 -67.562 1.00 11.90 N ATOM 701 CA LEU A 80 -54.898 -72.925 -66.273 1.00 11.00 C ATOM 702 C LEU A 80 -54.005 -72.435 -65.137 1.00 10.03 C ATOM 703 O LEU A 80 -52.792 -72.675 -65.142 1.00 11.99 O ATOM 704 CB LEU A 80 -55.027 -74.452 -66.226 1.00 10.12 C ATOM 705 CG LEU A 80 -55.998 -75.054 -67.251 1.00 11.10 C ATOM 706 CD1 LEU A 80 -55.974 -76.572 -67.200 1.00 12.73 C ATOM 707 CD2 LEU A 80 -57.418 -74.538 -67.023 1.00 14.15 C ATOM 708 H LEU A 80 -53.408 -72.761 -67.830 1.00 0.00 H ATOM 709 N HIS A 81 -54.622 -71.752 -64.171 1.00 9.20 N ATOM 710 CA HIS A 81 -53.970 -71.343 -62.924 1.00 12.49 C ATOM 711 C HIS A 81 -52.611 -70.689 -63.172 1.00 13.31 C ATOM 712 O HIS A 81 -51.599 -71.063 -62.573 1.00 11.90 O ATOM 713 CB HIS A 81 -53.831 -72.539 -61.985 1.00 10.75 C ATOM 714 CG HIS A 81 -55.136 -73.149 -61.588 1.00 10.39 C ATOM 715 ND1 HIS A 81 -55.717 -72.926 -60.356 1.00 12.77 N ATOM 716 CD2 HIS A 81 -55.970 -73.983 -62.253 1.00 11.16 C ATOM 717 CE1 HIS A 81 -56.858 -73.589 -60.286 1.00 12.39 C ATOM 718 NE2 HIS A 81 -57.032 -74.242 -61.421 1.00 11.53 N ATOM 719 H HIS A 81 -55.620 -71.496 -64.311 1.00 0.00 H ATOM 720 N LYS A 82 -52.597 -69.680 -64.046 1.00 11.99 N ATOM 721 CA LYS A 82 -51.381 -68.923 -64.331 1.00 12.68 C ATOM 722 C LYS A 82 -51.294 -67.676 -63.464 1.00 12.40 C ATOM 723 O LYS A 82 -52.286 -66.964 -63.278 1.00 12.29 O ATOM 724 CB LYS A 82 -51.324 -68.501 -65.797 1.00 12.26 C ATOM 725 CG LYS A 82 -51.443 -69.632 -66.782 1.00 14.56 C ATOM 726 CD LYS A 82 -50.391 -70.693 -66.571 1.00 20.06 C ATOM 727 CE LYS A 82 -50.351 -71.620 -67.772 1.00 25.99 C ATOM 728 NZ LYS A 82 -49.692 -72.918 -67.475 1.00 28.72 N ATOM 729 HZ1 LYS A 82 -48.712 -72.747 -67.172 1.00 0.00 H ATOM 730 HZ2 LYS A 82 -50.211 -73.403 -66.715 1.00 0.00 H ATOM 731 HZ3 LYS A 82 -49.693 -73.510 -68.330 1.00 0.00 H ATOM 732 H LYS A 82 -53.477 -69.426 -64.538 1.00 0.00 H ATOM 733 N THR A 83 -50.092 -67.399 -62.963 1.00 11.32 N ATOM 734 CA THR A 83 -49.865 -66.229 -62.121 1.00 15.79 C ATOM 735 C THR A 83 -49.716 -64.970 -62.967 1.00 14.63 C ATOM 736 O THR A 83 -49.013 -64.957 -63.983 1.00 14.55 O ATOM 737 CB THR A 83 -48.617 -66.425 -61.255 1.00 14.45 C ATOM 738 OG1 THR A 83 -48.804 -67.548 -60.388 1.00 12.98 O ATOM 739 CG2 THR A 83 -48.333 -65.188 -60.411 1.00 17.03 C ATOM 740 HG1 THR A 83 -48.958 -68.361 -60.932 1.00 0.00 H ATOM 741 H THR A 83 -49.295 -68.032 -63.177 1.00 0.00 H ATOM 742 N VAL A 84 -50.391 -63.908 -62.540 1.00 14.45 N ATOM 743 CA VAL A 84 -50.385 -62.624 -63.238 1.00 15.19 C ATOM 744 C VAL A 84 -49.114 -61.875 -62.854 1.00 14.97 C ATOM 745 O VAL A 84 -48.868 -61.680 -61.657 1.00 14.03 O ATOM 746 CB VAL A 84 -51.632 -61.798 -62.884 1.00 16.37 C ATOM 747 CG1 VAL A 84 -51.590 -60.435 -63.567 1.00 17.12 C ATOM 748 CG2 VAL A 84 -52.896 -62.553 -63.252 1.00 19.93 C ATOM 749 H VAL A 84 -50.950 -63.995 -61.667 1.00 0.00 H ATOM 750 N PRO A 85 -48.276 -61.446 -63.804 1.00 20.49 N ATOM 751 CA PRO A 85 -47.035 -60.748 -63.435 1.00 21.20 C ATOM 752 C PRO A 85 -47.142 -59.247 -63.211 1.00 16.86 C ATOM 753 O PRO A 85 -46.186 -58.662 -62.681 1.00 21.42 O ATOM 754 CB PRO A 85 -46.107 -61.023 -64.639 1.00 24.02 C ATOM 755 CG PRO A 85 -46.834 -61.976 -65.524 1.00 23.05 C ATOM 756 CD PRO A 85 -48.279 -61.809 -65.229 1.00 27.59 C ATOM 757 N VAL A 86 -48.247 -58.600 -63.582 1.00 17.76 N ATOM 758 CA VAL A 86 -48.336 -57.145 -63.514 1.00 18.92 C ATOM 759 C VAL A 86 -49.769 -56.741 -63.196 1.00 18.59 C ATOM 760 O VAL A 86 -50.721 -57.439 -63.552 1.00 16.23 O ATOM 761 CB VAL A 86 -47.870 -56.494 -64.838 1.00 18.78 C ATOM 762 CG1 VAL A 86 -46.377 -56.720 -65.055 1.00 30.84 C ATOM 763 CG2 VAL A 86 -48.678 -57.039 -66.016 1.00 18.19 C ATOM 764 H VAL A 86 -49.063 -59.144 -63.927 1.00 0.00 H ATOM 765 N ASP A 87 -49.919 -55.599 -62.527 1.00 23.25 N ATOM 766 CA ASP A 87 -51.248 -55.043 -62.302 1.00 23.10 C ATOM 767 C ASP A 87 -51.820 -54.510 -63.612 1.00 22.28 C ATOM 768 O ASP A 87 -51.107 -53.914 -64.424 1.00 22.52 O ATOM 769 CB ASP A 87 -51.213 -53.907 -61.272 1.00 22.01 C ATOM 770 CG ASP A 87 -50.581 -54.312 -59.942 1.00 21.02 C ATOM 771 OD1 ASP A 87 -50.577 -55.509 -59.589 1.00 22.75 O ATOM 772 OD2 ASP A 87 -50.090 -53.408 -59.236 1.00 27.07 O ATOM 773 H ASP A 87 -49.082 -55.100 -62.163 1.00 0.00 H ATOM 774 N GLY A 88 -53.112 -54.726 -63.817 1.00 16.10 N ATOM 775 CA GLY A 88 -53.814 -54.032 -64.880 1.00 17.39 C ATOM 776 C GLY A 88 -55.156 -54.664 -65.151 1.00 14.75 C ATOM 777 O GLY A 88 -55.468 -55.766 -64.683 1.00 17.12 O ATOM 778 H GLY A 88 -53.626 -55.398 -63.212 1.00 0.00 H ATOM 779 N GLU A 89 -55.959 -53.944 -65.930 1.00 15.25 N ATOM 780 CA GLU A 89 -57.185 -54.530 -66.443 1.00 18.37 C ATOM 781 C GLU A 89 -56.838 -55.603 -67.460 1.00 19.36 C ATOM 782 O GLU A 89 -55.924 -55.438 -68.274 1.00 19.09 O ATOM 783 CB GLU A 89 -58.086 -53.483 -67.104 1.00 20.97 C ATOM 784 CG GLU A 89 -59.426 -54.075 -67.550 1.00 21.85 C ATOM 785 CD GLU A 89 -60.290 -53.115 -68.339 1.00 23.52 C ATOM 786 OE1 GLU A 89 -59.847 -51.989 -68.621 1.00 21.92 O ATOM 787 OE2 GLU A 89 -61.423 -53.505 -68.684 1.00 24.45 O ATOM 788 H GLU A 89 -55.709 -52.964 -66.171 1.00 0.00 H ATOM 789 N LEU A 90 -57.575 -56.704 -67.410 1.00 13.89 N ATOM 790 CA LEU A 90 -57.417 -57.766 -68.394 1.00 13.43 C ATOM 791 C LEU A 90 -58.164 -57.379 -69.662 1.00 11.88 C ATOM 792 O LEU A 90 -59.398 -57.311 -69.670 1.00 12.36 O ATOM 793 CB LEU A 90 -57.928 -59.094 -67.845 1.00 16.91 C ATOM 794 CG LEU A 90 -57.936 -60.221 -68.877 1.00 16.18 C ATOM 795 CD1 LEU A 90 -56.524 -60.482 -69.416 1.00 14.89 C ATOM 796 CD2 LEU A 90 -58.529 -61.476 -68.264 1.00 16.27 C ATOM 797 H LEU A 90 -58.280 -56.811 -66.653 1.00 0.00 H ATOM 798 N ILE A 91 -57.413 -57.122 -70.728 1.00 13.73 N ATOM 799 CA ILE A 91 -57.955 -56.924 -72.066 1.00 14.32 C ATOM 800 C ILE A 91 -57.615 -58.160 -72.887 1.00 13.75 C ATOM 801 O ILE A 91 -56.447 -58.564 -72.947 1.00 17.50 O ATOM 802 CB ILE A 91 -57.372 -55.661 -72.726 1.00 16.30 C ATOM 803 CG1 ILE A 91 -57.530 -54.439 -71.817 1.00 19.20 C ATOM 804 CG2 ILE A 91 -58.012 -55.431 -74.101 1.00 18.39 C ATOM 805 CD1 ILE A 91 -58.942 -54.088 -71.477 1.00 37.97 C ATOM 806 H ILE A 91 -56.383 -57.059 -70.600 1.00 0.00 H ATOM 807 N LEU A 92 -58.625 -58.755 -73.517 1.00 11.11 N ATOM 808 CA LEU A 92 -58.427 -59.890 -74.411 1.00 10.15 C ATOM 809 C LEU A 92 -58.359 -59.383 -75.843 1.00 9.95 C ATOM 810 O LEU A 92 -59.222 -58.613 -76.273 1.00 11.80 O ATOM 811 CB LEU A 92 -59.552 -60.910 -74.255 1.00 10.72 C ATOM 812 CG LEU A 92 -59.560 -61.603 -72.893 1.00 11.51 C ATOM 813 CD1 LEU A 92 -60.881 -62.320 -72.624 1.00 10.36 C ATOM 814 CD2 LEU A 92 -58.394 -62.575 -72.791 1.00 12.57 C ATOM 815 H LEU A 92 -59.590 -58.398 -73.366 1.00 0.00 H ATOM 816 N LEU A 93 -57.350 -59.830 -76.586 1.00 9.93 N ATOM 817 CA LEU A 93 -57.060 -59.247 -77.886 1.00 9.92 C ATOM 818 C LEU A 93 -56.725 -60.325 -78.905 1.00 11.15 C ATOM 819 O LEU A 93 -55.906 -61.212 -78.639 1.00 10.44 O ATOM 820 CB LEU A 93 -55.897 -58.255 -77.779 1.00 12.41 C ATOM 821 CG LEU A 93 -55.298 -57.732 -79.085 1.00 12.20 C ATOM 822 CD1 LEU A 93 -56.326 -56.907 -79.840 1.00 13.00 C ATOM 823 CD2 LEU A 93 -54.044 -56.921 -78.806 1.00 13.22 C ATOM 824 H LEU A 93 -56.759 -60.609 -76.231 1.00 0.00 H ATOM 825 N PHE A 94 -57.349 -60.232 -80.076 1.00 9.24 N ATOM 826 CA PHE A 94 -56.885 -60.973 -81.240 1.00 8.87 C ATOM 827 C PHE A 94 -55.711 -60.204 -81.825 1.00 8.96 C ATOM 828 O PHE A 94 -55.893 -59.125 -82.401 1.00 10.00 O ATOM 829 CB PHE A 94 -58.003 -61.144 -82.259 1.00 10.81 C ATOM 830 CG PHE A 94 -57.608 -61.962 -83.456 1.00 9.23 C ATOM 831 CD1 PHE A 94 -57.209 -63.283 -83.303 1.00 10.32 C ATOM 832 CD2 PHE A 94 -57.645 -61.417 -84.727 1.00 8.76 C ATOM 833 CE1 PHE A 94 -56.849 -64.042 -84.396 1.00 11.13 C ATOM 834 CE2 PHE A 94 -57.290 -62.172 -85.826 1.00 10.18 C ATOM 835 CZ PHE A 94 -56.887 -63.492 -85.658 1.00 11.36 C ATOM 836 H PHE A 94 -58.184 -59.618 -80.162 1.00 0.00 H ATOM 837 N ASN A 95 -54.506 -60.751 -81.671 1.00 10.39 N ATOM 838 CA ASN A 95 -53.273 -59.992 -81.858 1.00 9.66 C ATOM 839 C ASN A 95 -52.858 -59.959 -83.331 1.00 8.69 C ATOM 840 O ASN A 95 -51.786 -60.415 -83.715 1.00 9.49 O ATOM 841 CB ASN A 95 -52.168 -60.587 -80.995 1.00 9.61 C ATOM 842 CG ASN A 95 -50.925 -59.715 -80.951 1.00 12.35 C ATOM 843 OD1 ASN A 95 -51.009 -58.497 -80.784 1.00 12.86 O ATOM 844 ND2 ASN A 95 -49.760 -60.338 -81.084 1.00 10.56 N ATOM 845 HD22 ASN A 95 -49.734 -61.368 -81.223 1.00 0.00 H ATOM 846 HD21 ASN A 95 -48.873 -59.796 -81.049 1.00 0.00 H ATOM 847 H ASN A 95 -54.441 -61.755 -81.408 1.00 0.00 H ATOM 848 N ASP A 96 -53.728 -59.392 -84.157 1.00 8.38 N ATOM 849 CA ASP A 96 -53.387 -59.173 -85.556 1.00 8.42 C ATOM 850 C ASP A 96 -52.376 -58.028 -85.663 1.00 10.16 C ATOM 851 O ASP A 96 -52.097 -57.316 -84.693 1.00 9.25 O ATOM 852 CB ASP A 96 -54.651 -58.878 -86.370 1.00 8.58 C ATOM 853 CG ASP A 96 -54.544 -59.342 -87.818 1.00 8.58 C ATOM 854 OD1 ASP A 96 -53.433 -59.720 -88.245 1.00 8.49 O ATOM 855 OD2 ASP A 96 -55.581 -59.342 -88.528 1.00 8.77 O ATOM 856 H ASP A 96 -54.661 -59.101 -83.802 1.00 0.00 H ATOM 857 N VAL A 97 -51.794 -57.875 -86.845 1.00 9.64 N ATOM 858 CA VAL A 97 -50.838 -56.779 -87.051 1.00 9.51 C ATOM 859 C VAL A 97 -51.593 -55.456 -87.037 1.00 10.45 C ATOM 860 O VAL A 97 -52.673 -55.360 -87.651 1.00 12.01 O ATOM 861 CB VAL A 97 -50.078 -56.974 -88.363 1.00 10.92 C ATOM 862 CG1 VAL A 97 -49.137 -55.801 -88.619 1.00 10.26 C ATOM 863 CG2 VAL A 97 -49.296 -58.298 -88.330 1.00 11.47 C ATOM 864 H VAL A 97 -52.014 -58.529 -87.623 1.00 0.00 H ATOM 865 N PRO A 98 -51.104 -54.431 -86.342 1.00 12.23 N ATOM 866 CA PRO A 98 -51.822 -53.154 -86.325 1.00 12.26 C ATOM 867 C PRO A 98 -52.128 -52.662 -87.732 1.00 12.31 C ATOM 868 O PRO A 98 -51.284 -52.715 -88.632 1.00 11.58 O ATOM 869 CB PRO A 98 -50.855 -52.220 -85.594 1.00 14.10 C ATOM 870 CG PRO A 98 -50.133 -53.117 -84.665 1.00 16.07 C ATOM 871 CD PRO A 98 -49.949 -54.408 -85.425 1.00 15.00 C ATOM 872 N GLY A 99 -53.364 -52.195 -87.916 1.00 16.75 N ATOM 873 CA GLY A 99 -53.827 -51.705 -89.196 1.00 20.88 C ATOM 874 C GLY A 99 -54.411 -52.752 -90.122 1.00 14.56 C ATOM 875 O GLY A 99 -54.876 -52.391 -91.214 1.00 16.46 O ATOM 876 H GLY A 99 -54.020 -52.183 -87.109 1.00 0.00 H ATOM 877 N THR A 100 -54.401 -54.032 -89.735 1.00 11.87 N ATOM 878 CA THR A 100 -54.935 -55.105 -90.571 1.00 12.63 C ATOM 879 C THR A 100 -56.178 -55.757 -89.974 1.00 10.42 C ATOM 880 O THR A 100 -56.508 -56.897 -90.324 1.00 10.77 O ATOM 881 CB THR A 100 -53.875 -56.177 -90.827 1.00 11.78 C ATOM 882 OG1 THR A 100 -53.657 -56.942 -89.634 1.00 10.79 O ATOM 883 CG2 THR A 100 -52.566 -55.548 -91.292 1.00 10.43 C ATOM 884 HG1 THR A 100 -53.347 -56.342 -88.910 1.00 0.00 H ATOM 885 H THR A 100 -53.999 -54.272 -88.806 1.00 0.00 H ATOM 886 N PHE A 101 -56.879 -55.059 -89.087 1.00 11.55 N ATOM 887 CA PHE A 101 -58.087 -55.609 -88.487 1.00 10.29 C ATOM 888 C PHE A 101 -59.313 -55.430 -89.366 1.00 11.27 C ATOM 889 O PHE A 101 -60.340 -56.071 -89.109 1.00 12.45 O ATOM 890 CB PHE A 101 -58.332 -54.962 -87.124 1.00 10.40 C ATOM 891 CG PHE A 101 -57.393 -55.434 -86.058 1.00 11.70 C ATOM 892 CD1 PHE A 101 -56.082 -54.989 -86.022 1.00 10.20 C ATOM 893 CD2 PHE A 101 -57.818 -56.334 -85.095 1.00 9.96 C ATOM 894 CE1 PHE A 101 -55.215 -55.431 -85.042 1.00 11.42 C ATOM 895 CE2 PHE A 101 -56.959 -56.775 -84.111 1.00 9.80 C ATOM 896 CZ PHE A 101 -55.657 -56.324 -84.082 1.00 9.85 C ATOM 897 H PHE A 101 -56.561 -54.106 -88.817 1.00 0.00 H ATOM 898 N GLY A 102 -59.221 -54.599 -90.407 1.00 15.38 N ATOM 899 CA GLY A 102 -60.368 -54.308 -91.245 1.00 16.08 C ATOM 900 C GLY A 102 -60.844 -55.472 -92.089 1.00 17.04 C ATOM 901 O GLY A 102 -62.004 -55.478 -92.511 1.00 17.41 O ATOM 902 H GLY A 102 -58.307 -54.151 -90.621 1.00 0.00 H ATOM 903 N ASP A 103 -59.981 -56.453 -92.357 1.00 14.73 N ATOM 904 CA ASP A 103 -60.387 -57.633 -93.107 1.00 15.32 C ATOM 905 C ASP A 103 -60.635 -58.834 -92.195 1.00 13.94 C ATOM 906 O ASP A 103 -60.674 -59.975 -92.672 1.00 11.28 O ATOM 907 CB ASP A 103 -59.355 -57.962 -94.195 1.00 14.75 C ATOM 908 CG ASP A 103 -57.964 -58.250 -93.646 1.00 14.01 C ATOM 909 OD1 ASP A 103 -57.781 -58.230 -92.415 1.00 11.75 O ATOM 910 OD2 ASP A 103 -57.047 -58.496 -94.470 1.00 13.13 O ATOM 911 H ASP A 103 -58.999 -56.373 -92.024 1.00 0.00 H ATOM 912 N ASN A 104 -60.832 -58.594 -90.899 1.00 10.60 N ATOM 913 CA ASN A 104 -61.095 -59.645 -89.927 1.00 14.31 C ATOM 914 C ASN A 104 -62.590 -59.803 -89.695 1.00 13.41 C ATOM 915 O ASN A 104 -63.361 -58.850 -89.823 1.00 14.74 O ATOM 916 CB ASN A 104 -60.426 -59.339 -88.590 1.00 12.98 C ATOM 917 CG ASN A 104 -58.927 -59.314 -88.686 1.00 9.74 C ATOM 918 OD1 ASN A 104 -58.348 -59.560 -89.745 1.00 9.70 O ATOM 919 ND2 ASN A 104 -58.283 -59.009 -87.572 1.00 9.62 N ATOM 920 HD22 ASN A 104 -58.816 -58.809 -86.702 1.00 0.00 H ATOM 921 HD21 ASN A 104 -57.244 -58.969 -87.566 1.00 0.00 H ATOM 922 H ASN A 104 -60.796 -57.609 -90.566 1.00 0.00 H ATOM 923 N SER A 105 -62.992 -61.011 -89.315 1.00 12.50 N ATOM 924 CA SER A 105 -64.399 -61.267 -89.052 1.00 13.37 C ATOM 925 C SER A 105 -64.511 -62.433 -88.086 1.00 12.88 C ATOM 926 O SER A 105 -63.586 -63.236 -87.938 1.00 12.75 O ATOM 927 CB SER A 105 -65.170 -61.552 -90.346 1.00 15.67 C ATOM 928 OG SER A 105 -64.686 -62.718 -90.991 1.00 16.69 O ATOM 929 HG SER A 105 -64.789 -63.495 -90.386 1.00 0.00 H ATOM 930 H SER A 105 -62.297 -61.777 -89.205 1.00 0.00 H ATOM 931 N GLY A 106 -65.658 -62.511 -87.426 1.00 13.69 N ATOM 932 CA GLY A 106 -65.895 -63.545 -86.445 1.00 14.93 C ATOM 933 C GLY A 106 -65.395 -63.150 -85.070 1.00 13.02 C ATOM 934 O GLY A 106 -64.766 -62.109 -84.867 1.00 13.42 O ATOM 935 H GLY A 106 -66.404 -61.812 -87.619 1.00 0.00 H ATOM 936 N GLU A 107 -65.680 -64.018 -84.103 1.00 14.31 N ATOM 937 CA GLU A 107 -65.352 -63.745 -82.714 1.00 13.67 C ATOM 938 C GLU A 107 -65.111 -65.052 -81.975 1.00 15.49 C ATOM 939 O GLU A 107 -65.687 -66.090 -82.312 1.00 15.72 O ATOM 940 CB GLU A 107 -66.475 -62.958 -82.024 1.00 17.74 C ATOM 941 CG GLU A 107 -67.857 -63.564 -82.203 1.00 38.09 C ATOM 942 CD GLU A 107 -68.957 -62.668 -81.672 1.00 35.23 C ATOM 943 OE1 GLU A 107 -68.807 -61.429 -81.757 1.00 29.22 O ATOM 944 OE2 GLU A 107 -69.967 -63.200 -81.168 1.00 31.80 O ATOM 945 H GLU A 107 -66.149 -64.914 -84.347 1.00 0.00 H ATOM 946 N PHE A 108 -64.256 -64.986 -80.958 1.00 11.34 N ATOM 947 CA PHE A 108 -64.073 -66.095 -80.036 1.00 11.27 C ATOM 948 C PHE A 108 -65.034 -65.945 -78.863 1.00 13.37 C ATOM 949 O PHE A 108 -65.381 -64.833 -78.460 1.00 11.92 O ATOM 950 CB PHE A 108 -62.641 -66.152 -79.505 1.00 10.16 C ATOM 951 CG PHE A 108 -61.585 -66.365 -80.562 1.00 9.71 C ATOM 952 CD1 PHE A 108 -61.704 -67.376 -81.506 1.00 11.25 C ATOM 953 CD2 PHE A 108 -60.452 -65.565 -80.585 1.00 8.88 C ATOM 954 CE1 PHE A 108 -60.717 -67.569 -82.463 1.00 10.03 C ATOM 955 CE2 PHE A 108 -59.467 -65.761 -81.533 1.00 8.60 C ATOM 956 CZ PHE A 108 -59.603 -66.759 -82.473 1.00 9.17 C ATOM 957 H PHE A 108 -63.703 -64.116 -80.819 1.00 0.00 H ATOM 958 N GLN A 109 -65.461 -67.080 -78.319 1.00 15.09 N ATOM 959 CA GLN A 109 -66.210 -67.119 -77.069 1.00 13.99 C ATOM 960 C GLN A 109 -65.237 -67.509 -75.961 1.00 12.22 C ATOM 961 O GLN A 109 -64.633 -68.587 -76.013 1.00 12.52 O ATOM 962 CB GLN A 109 -67.376 -68.103 -77.165 1.00 16.08 C ATOM 963 CG GLN A 109 -68.648 -67.531 -77.807 1.00 26.58 C ATOM 964 CD GLN A 109 -68.451 -67.038 -79.231 1.00 44.38 C ATOM 965 OE1 GLN A 109 -67.772 -67.674 -80.042 1.00 32.10 O ATOM 966 NE2 GLN A 109 -69.062 -65.898 -79.544 1.00 27.64 N ATOM 967 HE22 GLN A 109 -69.624 -65.396 -78.828 1.00 0.00 H ATOM 968 HE21 GLN A 109 -68.977 -65.509 -80.505 1.00 0.00 H ATOM 969 H GLN A 109 -65.252 -67.976 -78.804 1.00 0.00 H ATOM 970 N VAL A 110 -65.054 -66.621 -74.987 1.00 11.62 N ATOM 971 CA VAL A 110 -63.987 -66.759 -74.003 1.00 10.77 C ATOM 972 C VAL A 110 -64.574 -66.732 -72.596 1.00 12.84 C ATOM 973 O VAL A 110 -65.560 -66.034 -72.329 1.00 12.42 O ATOM 974 CB VAL A 110 -62.922 -65.650 -74.174 1.00 10.23 C ATOM 975 CG1 VAL A 110 -61.743 -65.891 -73.250 1.00 9.75 C ATOM 976 CG2 VAL A 110 -62.450 -65.587 -75.622 1.00 9.61 C ATOM 977 H VAL A 110 -65.692 -65.802 -74.926 1.00 0.00 H ATOM 978 N GLU A 111 -63.961 -67.507 -71.702 1.00 11.94 N ATOM 979 CA GLU A 111 -64.325 -67.547 -70.291 1.00 12.72 C ATOM 980 C GLU A 111 -63.069 -67.309 -69.469 1.00 11.13 C ATOM 981 O GLU A 111 -62.026 -67.910 -69.738 1.00 11.74 O ATOM 982 CB GLU A 111 -64.958 -68.896 -69.913 1.00 15.44 C ATOM 983 CG GLU A 111 -66.186 -69.253 -70.725 1.00 19.80 C ATOM 984 CD GLU A 111 -66.791 -70.585 -70.319 1.00 24.06 C ATOM 985 OE1 GLU A 111 -66.465 -71.090 -69.219 1.00 20.61 O ATOM 986 OE2 GLU A 111 -67.593 -71.124 -71.107 1.00 20.74 O ATOM 987 H GLU A 111 -63.183 -68.115 -72.028 1.00 0.00 H ATOM 988 N VAL A 112 -63.170 -66.437 -68.471 1.00 10.65 N ATOM 989 CA VAL A 112 -62.062 -66.106 -67.587 1.00 10.13 C ATOM 990 C VAL A 112 -62.514 -66.366 -66.159 1.00 10.71 C ATOM 991 O VAL A 112 -63.626 -65.982 -65.780 1.00 11.63 O ATOM 992 CB VAL A 112 -61.613 -64.642 -67.759 1.00 10.34 C ATOM 993 CG1 VAL A 112 -60.490 -64.301 -66.789 1.00 10.02 C ATOM 994 CG2 VAL A 112 -61.156 -64.400 -69.183 1.00 11.50 C ATOM 995 H VAL A 112 -64.085 -65.968 -68.314 1.00 0.00 H ATOM 996 N ILE A 113 -61.667 -67.046 -65.389 1.00 10.64 N ATOM 997 CA ILE A 113 -61.873 -67.260 -63.961 1.00 14.55 C ATOM 998 C ILE A 113 -60.649 -66.727 -63.232 1.00 11.58 C ATOM 999 O ILE A 113 -59.515 -67.096 -63.560 1.00 12.15 O ATOM 1000 CB ILE A 113 -62.099 -68.749 -63.633 1.00 14.43 C ATOM 1001 CG1 ILE A 113 -63.474 -69.207 -64.132 1.00 15.03 C ATOM 1002 CG2 ILE A 113 -61.936 -69.006 -62.133 1.00 12.01 C ATOM 1003 CD1 ILE A 113 -63.809 -70.663 -63.813 1.00 17.11 C ATOM 1004 H ILE A 113 -60.814 -67.446 -65.829 1.00 0.00 H ATOM 1005 N ILE A 114 -60.876 -65.861 -62.251 1.00 16.05 N ATOM 1006 CA ILE A 114 -59.811 -65.442 -61.351 1.00 16.42 C ATOM 1007 C ILE A 114 -59.725 -66.501 -60.260 1.00 14.81 C ATOM 1008 O ILE A 114 -60.591 -66.576 -59.385 1.00 18.75 O ATOM 1009 CB ILE A 114 -60.069 -64.047 -60.774 1.00 17.54 C ATOM 1010 CG1 ILE A 114 -60.105 -63.018 -61.907 1.00 18.35 C ATOM 1011 CG2 ILE A 114 -58.979 -63.671 -59.772 1.00 20.82 C ATOM 1012 CD1 ILE A 114 -60.584 -61.639 -61.479 1.00 24.45 C ATOM 1013 H ILE A 114 -61.833 -65.475 -62.123 1.00 0.00 H ATOM 1014 N GLU A 115 -58.695 -67.347 -60.336 1.00 11.26 N ATOM 1015 CA GLU A 115 -58.608 -68.500 -59.449 1.00 13.31 C ATOM 1016 C GLU A 115 -58.251 -68.089 -58.034 1.00 13.65 C ATOM 1017 O GLU A 115 -58.682 -68.739 -57.072 1.00 15.03 O ATOM 1018 CB GLU A 115 -57.572 -69.492 -59.972 1.00 10.86 C ATOM 1019 CG GLU A 115 -57.885 -70.059 -61.347 1.00 11.66 C ATOM 1020 CD GLU A 115 -58.968 -71.119 -61.321 1.00 10.91 C ATOM 1021 OE1 GLU A 115 -59.596 -71.329 -60.261 1.00 11.96 O ATOM 1022 OE2 GLU A 115 -59.191 -71.742 -62.376 1.00 12.61 O ATOM 1023 H GLU A 115 -57.945 -67.181 -61.037 1.00 0.00 H ATOM 1024 N SER A 116 -57.457 -67.035 -57.880 1.00 11.29 N ATOM 1025 CA SER A 116 -57.129 -66.556 -56.549 1.00 12.08 C ATOM 1026 C SER A 116 -56.612 -65.132 -56.642 1.00 13.69 C ATOM 1027 O SER A 116 -56.076 -64.714 -57.673 1.00 13.19 O ATOM 1028 CB SER A 116 -56.089 -67.451 -55.863 1.00 13.08 C ATOM 1029 OG SER A 116 -54.893 -67.537 -56.621 1.00 13.18 O ATOM 1030 HG SER A 116 -55.095 -67.918 -57.512 1.00 0.00 H ATOM 1031 H SER A 116 -57.069 -66.552 -58.715 1.00 0.00 H ATOM 1032 N ARG A 117 -56.787 -64.403 -55.546 1.00 15.54 N ATOM 1033 CA ARG A 117 -56.236 -63.068 -55.384 1.00 16.59 C ATOM 1034 C ARG A 117 -55.002 -63.149 -54.499 1.00 14.84 C ATOM 1035 O ARG A 117 -54.997 -63.862 -53.489 1.00 16.58 O ATOM 1036 CB ARG A 117 -57.261 -62.121 -54.763 1.00 15.68 C ATOM 1037 CG ARG A 117 -58.502 -61.903 -55.604 1.00 16.80 C ATOM 1038 CD ARG A 117 -58.180 -61.125 -56.864 1.00 18.19 C ATOM 1039 NE ARG A 117 -59.369 -60.511 -57.445 1.00 19.99 N ATOM 1040 CZ ARG A 117 -59.346 -59.650 -58.458 1.00 20.45 C ATOM 1041 NH1 ARG A 117 -58.191 -59.300 -59.011 1.00 20.57 N ATOM 1042 NH2 ARG A 117 -60.477 -59.134 -58.916 1.00 22.23 N ATOM 1043 HE ARG A 117 -60.294 -60.763 -57.041 1.00 0.00 H ATOM 1044 HH12 ARG A 117 -58.177 -58.626 -59.803 1.00 0.00 H ATOM 1045 HH11 ARG A 117 -57.300 -59.699 -58.652 1.00 0.00 H ATOM 1046 HH22 ARG A 117 -60.458 -58.461 -59.708 1.00 0.00 H ATOM 1047 HH21 ARG A 117 -61.384 -59.402 -58.483 1.00 0.00 H ATOM 1048 H ARG A 117 -57.345 -64.807 -54.767 1.00 0.00 H ATOM 1049 N TYR A 118 -53.962 -62.406 -54.875 1.00 15.46 N ATOM 1050 CA TYR A 118 -52.666 -62.569 -54.232 1.00 17.29 C ATOM 1051 C TYR A 118 -52.754 -62.382 -52.723 1.00 18.25 C ATOM 1052 O TYR A 118 -53.260 -61.370 -52.223 1.00 16.46 O ATOM 1053 CB TYR A 118 -51.648 -61.585 -54.791 1.00 17.23 C ATOM 1054 CG TYR A 118 -50.330 -61.683 -54.065 1.00 18.23 C ATOM 1055 CD1 TYR A 118 -49.556 -62.834 -54.147 1.00 20.16 C ATOM 1056 CD2 TYR A 118 -49.869 -60.640 -53.280 1.00 20.90 C ATOM 1057 CE1 TYR A 118 -48.349 -62.935 -53.481 1.00 23.30 C ATOM 1058 CE2 TYR A 118 -48.662 -60.729 -52.609 1.00 23.21 C ATOM 1059 CZ TYR A 118 -47.908 -61.880 -52.712 1.00 21.23 C ATOM 1060 OH TYR A 118 -46.709 -61.973 -52.039 1.00 26.38 O ATOM 1061 HH TYR A 118 -46.299 -62.856 -52.219 1.00 0.00 H ATOM 1062 H TYR A 118 -54.077 -61.704 -55.634 1.00 0.00 H ATOM 1063 N SER A 119 -52.219 -63.347 -52.004 1.00 16.69 N ATOM 1064 CA SER A 119 -52.096 -63.247 -50.558 1.00 17.19 C ATOM 1065 C SER A 119 -50.952 -64.149 -50.120 1.00 16.32 C ATOM 1066 O SER A 119 -51.018 -65.370 -50.316 1.00 17.28 O ATOM 1067 CB SER A 119 -53.399 -63.645 -49.871 1.00 19.89 C ATOM 1068 OG SER A 119 -53.296 -63.482 -48.469 1.00 19.28 O ATOM 1069 HG SER A 119 -53.101 -62.534 -48.262 1.00 0.00 H ATOM 1070 H SER A 119 -51.875 -64.204 -52.483 1.00 0.00 H ATOM 1071 N PRO A 120 -49.888 -63.602 -49.540 1.00 17.73 N ATOM 1072 CA PRO A 120 -48.708 -64.419 -49.257 1.00 18.82 C ATOM 1073 C PRO A 120 -48.838 -65.227 -47.972 1.00 19.25 C ATOM 1074 O PRO A 120 -49.603 -64.908 -47.062 1.00 19.46 O ATOM 1075 CB PRO A 120 -47.589 -63.379 -49.136 1.00 21.13 C ATOM 1076 CG PRO A 120 -48.275 -62.192 -48.580 1.00 26.68 C ATOM 1077 CD PRO A 120 -49.658 -62.188 -49.189 1.00 21.13 C ATOM 1078 N LEU A 121 -48.187 -66.356 -47.958 1.00 20.70 N ATOM 1079 CA LEU A 121 -48.088 -67.170 -46.808 1.00 22.19 C ATOM 1080 C LEU A 121 -47.021 -66.481 -45.955 1.00 38.37 C ATOM 1081 O LEU A 121 -45.951 -66.143 -46.446 1.00 39.36 O ATOM 1082 CB LEU A 121 -47.640 -68.530 -47.206 1.00 33.51 C ATOM 1083 CG LEU A 121 -47.817 -69.731 -46.305 1.00 41.52 C ATOM 1084 CD1 LEU A 121 -49.255 -70.174 -46.068 1.00 22.42 C ATOM 1085 CD2 LEU A 121 -46.960 -70.856 -46.779 1.00 24.31 C ATOM 1086 H LEU A 121 -47.720 -66.671 -48.832 1.00 0.00 H ATOM 1087 N LYS A 122 -47.306 -66.245 -44.688 1.00 55.07 N ATOM 1088 CA LYS A 122 -46.381 -65.460 -43.900 1.00 46.79 C ATOM 1089 C LYS A 122 -46.218 -65.895 -42.489 1.00 51.87 C ATOM 1090 O LYS A 122 -45.379 -65.385 -41.851 1.00 53.47 O ATOM 1091 CB LYS A 122 -46.731 -63.982 -43.960 1.00 56.59 C ATOM 1092 CG LYS A 122 -47.981 -63.597 -43.242 1.00 40.62 C ATOM 1093 CD LYS A 122 -48.294 -62.134 -43.520 1.00 40.52 C ATOM 1094 CE LYS A 122 -49.756 -61.755 -43.475 1.00 45.80 C ATOM 1095 NZ LYS A 122 -50.568 -62.598 -42.557 1.00 54.98 N ATOM 1096 OXT LYS A 122 -46.863 -66.740 -42.009 1.00 44.78 O ATOM 1097 HZ1 LYS A 122 -50.516 -63.591 -42.862 1.00 0.00 H ATOM 1098 HZ2 LYS A 122 -50.197 -62.512 -41.589 1.00 0.00 H ATOM 1099 HZ3 LYS A 122 -51.558 -62.279 -42.580 1.00 0.00 H ATOM 1100 H LYS A 122 -48.180 -66.617 -44.264 1.00 0.00 H TER 1101 LYS A 122 HETATM 1102 CA CA A 1 -56.203 -59.108 -90.787 1.00 10.74 CA HETATM 1103 O HOH 2 -57.996 -50.988 -68.991 1.00 25.47 O HETATM 1104 O HOH 3 -67.621 -68.656 -62.255 1.00 42.59 O HETATM 1105 O HOH 4 -47.920 -52.691 -58.998 1.00 34.32 O HETATM 1106 O HOH 5 -49.712 -55.398 -56.983 1.00 26.93 O HETATM 1107 O HOH 6 -57.815 -61.759-100.084 1.00 25.78 O HETATM 1108 O HOH 7 -47.035 -55.481 -57.912 1.00 46.40 O HETATM 1109 O HOH 8 -63.490 -70.036 -95.883 1.00 20.78 O HETATM 1110 O HOH 9 -47.990 -68.476 -94.561 1.00 27.10 O HETATM 1111 O HOH 10 -63.383 -64.207 -58.345 1.00 38.53 O HETATM 1112 O HOH 11 -65.864 -73.555 -69.459 1.00 11.10 O HETATM 1113 O HOH 12 -49.904 -55.092 -81.633 1.00 25.05 O HETATM 1114 O HOH 13 -52.845 -50.068 -75.454 1.00 56.64 O HETATM 1115 O HOH 14 -51.509 -70.990 -97.747 1.00 30.59 O HETATM 1116 O HOH 15 -69.625 -60.429 -71.954 1.00 30.85 O HETATM 1117 O HOH 16 -61.810 -70.821 -59.053 1.00 23.21 O HETATM 1118 O HOH 17 -66.044 -64.762 -90.218 1.00 26.03 O HETATM 1119 O HOH 18 -50.351 -70.997 -86.361 1.00 16.42 O HETATM 1120 O HOH 19 -44.342 -64.122 -46.550 1.00 30.17 O HETATM 1121 O HOH 20 -59.141 -50.357 -85.833 1.00 32.56 O HETATM 1122 O HOH 21 -56.069 -48.903 -87.213 1.00 34.67 O HETATM 1123 O HOH 22 -64.273 -53.272 -63.508 1.00 21.84 O HETATM 1124 O HOH 23 -61.504 -50.146 -69.422 1.00 28.74 O HETATM 1125 O HOH 24 -58.789 -73.606 -99.645 1.00 35.04 O HETATM 1126 O HOH 25 -50.675 -74.541 -80.595 1.00 26.33 O HETATM 1127 O HOH 26 -57.693 -59.766 -96.661 1.00 12.91 O HETATM 1128 O HOH 27 -46.714 -52.489 -68.235 1.00 38.99 O HETATM 1129 O HOH 28 -60.711 -65.066 -57.226 1.00 37.50 O HETATM 1130 O HOH 29 -59.102 -71.817 -57.716 1.00 20.17 O HETATM 1131 O HOH 30 -56.385 -72.593 -93.091 1.00 15.59 O HETATM 1132 O HOH 31 -52.456 -56.445 -82.214 1.00 12.37 O HETATM 1133 O HOH 32 -49.261 -52.026 -64.094 1.00 27.25 O HETATM 1134 O HOH 33 -48.825 -66.603 -85.800 1.00 11.39 O HETATM 1135 O HOH 34 -55.615 -56.623 -96.224 1.00 29.66 O HETATM 1136 O HOH 35 -53.112 -60.888 -47.841 1.00 32.92 O HETATM 1137 O HOH 36 -53.219 -65.594 -55.853 1.00 9.28 O HETATM 1138 O HOH 37 -65.760 -74.323 -72.136 1.00 18.36 O HETATM 1139 O HOH 38 -47.882 -60.414 -92.488 1.00 41.06 O HETATM 1140 O HOH 39 -66.401 -55.634 -83.307 1.00 25.57 O HETATM 1141 O HOH 40 -51.658 -63.964 -45.605 1.00 22.66 O HETATM 1142 O HOH 41 -64.692 -59.616 -85.889 1.00 14.50 O HETATM 1143 O HOH 42 -53.804 -54.137 -81.534 1.00 13.62 O HETATM 1144 O HOH 43 -54.680 -53.261 -69.270 1.00 23.34 O HETATM 1145 O HOH 44 -56.793 -52.071 -88.385 1.00 13.19 O HETATM 1146 O HOH 45 -67.357 -70.128 -73.648 1.00 26.70 O HETATM 1147 O HOH 46 -56.388 -52.061 -75.747 1.00 31.21 O HETATM 1148 O HOH 47 -61.958 -52.334 -78.651 1.00 30.73 O HETATM 1149 O HOH 48 -61.539 -53.179 -87.549 1.00 18.94 O HETATM 1150 O HOH 49 -50.605 -73.619 -62.705 1.00 20.15 O HETATM 1151 O HOH 50 -67.724 -59.867 -65.478 1.00 35.97 O HETATM 1152 O HOH 51 -49.384 -70.138 -61.103 1.00 14.34 O HETATM 1153 O HOH 52 -54.159 -69.790 -91.421 1.00 9.45 O HETATM 1154 O HOH 53 -62.972 -61.460 -93.003 1.00 13.79 O HETATM 1155 O HOH 54 -47.861 -67.445 -57.798 1.00 15.93 O HETATM 1156 O HOH 55 -66.118 -57.784 -65.252 1.00 40.15 O HETATM 1157 O HOH 56 -52.735 -65.193 -96.248 1.00 19.60 O HETATM 1158 O HOH 57 -51.261 -70.609 -74.007 1.00 19.31 O HETATM 1159 O HOH 58 -69.304 -73.302 -70.941 1.00 25.15 O HETATM 1160 O HOH 59 -57.581 -52.746 -91.739 1.00 12.78 O HETATM 1161 O HOH 60 -61.029 -73.237 -82.218 1.00 10.18 O HETATM 1162 O HOH 61 -59.543 -58.355 -80.710 1.00 12.11 O HETATM 1163 O HOH 62 -52.313 -73.996 -68.666 1.00 13.86 O HETATM 1164 O HOH 63 -62.671 -68.286 -58.662 1.00 18.01 O HETATM 1165 O HOH 64 -70.696 -67.538 -65.288 1.00 33.17 O HETATM 1166 O HOH 65 -46.862 -74.632 -90.604 1.00 21.10 O HETATM 1167 O HOH 66 -54.868 -70.968 -58.541 1.00 14.35 O HETATM 1168 O HOH 67 -66.265 -70.413 -66.504 1.00 22.06 O HETATM 1169 O HOH 68 -55.401 -59.060 -55.687 1.00 19.68 O HETATM 1170 O HOH 69 -48.977 -67.146 -96.168 1.00 40.63 O HETATM 1171 O HOH 70 -61.649 -57.144 -60.766 1.00 17.66 O HETATM 1172 O HOH 71 -49.305 -65.260 -78.606 1.00 18.26 O HETATM 1173 O HOH 72 -53.061 -49.020 -85.942 1.00 30.61 O HETATM 1174 O HOH 73 -59.901 -67.331-101.155 1.00 20.43 O HETATM 1175 O HOH 74 -54.170 -58.966 -53.504 1.00 26.17 O HETATM 1176 O HOH 75 -45.142 -65.389 -79.789 1.00 39.90 O HETATM 1177 O HOH 76 -60.739 -52.467 -75.178 1.00 23.58 O HETATM 1178 O HOH 77 -51.319 -66.714 -77.670 1.00 22.14 O HETATM 1179 O HOH 78 -51.076 -75.006 -65.309 1.00 36.55 O HETATM 1180 O HOH 79 -63.636 -66.218 -58.645 1.00 54.57 O HETATM 1181 O HOH 80 -56.190 -48.600 -82.045 1.00 41.57 O HETATM 1182 O HOH 81 -47.221 -58.889 -81.323 1.00 18.56 O HETATM 1183 O HOH 82 -66.978 -66.425 -85.274 1.00 21.16 O HETATM 1184 O HOH 83 -68.039 -67.187 -73.331 1.00 19.59 O HETATM 1185 O HOH 84 -64.348 -55.352 -78.270 1.00 37.95 O HETATM 1186 O HOH 85 -47.401 -54.621 -61.384 1.00 32.95 O HETATM 1187 O HOH 86 -58.203 -65.668 -53.308 1.00 16.36 O HETATM 1188 O HOH 87 -54.927 -51.641 -67.433 1.00 25.51 O HETATM 1189 O HOH 88 -53.489 -52.848 -71.660 1.00 22.64 O HETATM 1190 O HOH 89 -61.212 -51.885 -80.927 1.00 25.05 O HETATM 1191 O HOH 90 -58.397 -73.351 -97.001 1.00 42.21 O HETATM 1192 O HOH 91 -58.334 -55.601 -58.011 1.00 27.37 O HETATM 1193 O HOH 92 -68.257 -56.150 -86.417 1.00 28.43 O HETATM 1194 O HOH 93 -63.764 -53.289 -74.996 1.00 31.71 O HETATM 1195 O HOH 94 -48.677 -68.990 -87.457 1.00 11.59 O HETATM 1196 O HOH 95 -59.799 -67.523 -54.614 1.00 19.44 O HETATM 1197 O HOH 96 -60.961 -51.719 -84.263 1.00 21.87 O HETATM 1198 O HOH 97 -49.304 -75.009 -96.591 1.00 38.37 O HETATM 1199 O HOH 98 -63.618 -67.835 -95.899 1.00 29.04 O HETATM 1200 O HOH 99 -69.377 -60.005 -75.139 1.00 22.54 O HETATM 1201 O HOH 100 -65.968 -57.390 -89.963 1.00 27.35 O HETATM 1202 O HOH 101 -67.641 -60.368 -88.101 1.00 26.11 O HETATM 1203 O HOH 102 -70.127 -64.614 -66.389 1.00 47.84 O HETATM 1204 O HOH 103 -57.084 -68.875 -99.596 1.00 26.38 O HETATM 1205 O HOH 104 -45.133 -62.169 -59.910 1.00 46.65 O HETATM 1206 O HOH 105 -69.325 -61.740 -67.802 1.00 27.51 O HETATM 1207 O HOH 106 -64.450 -55.328 -90.651 1.00 42.25 O HETATM 1208 O HOH 107 -52.820 -51.860 -82.920 1.00 20.69 O HETATM 1209 O HOH 108 -71.582 -66.257 -67.324 1.00 42.20 O HETATM 1210 O HOH 109 -61.729 -62.547 -57.168 1.00 24.61 O HETATM 1211 O HOH 110 -63.463 -66.656 -98.402 1.00 37.75 O HETATM 1212 O HOH 111 -46.024 -59.512 -50.210 1.00 43.92 O HETATM 1213 O HOH 112 -56.994 -72.475 -57.508 1.00 34.08 O HETATM 1214 O HOH 113 -70.692 -67.171 -62.924 1.00 34.87 O HETATM 1215 O HOH 114 -57.800 -74.173 -94.702 1.00 18.13 O HETATM 1216 O HOH 115 -54.383 -67.634-100.074 1.00 39.00 O HETATM 1217 O HOH 116 -48.113 -56.767 -82.558 1.00 28.76 O HETATM 1218 O HOH 117 -63.558 -57.004 -95.051 1.00 38.12 O HETATM 1219 O HOH 118 -67.268 -58.739 -85.357 1.00 24.68 O HETATM 1220 O HOH 119 -65.789 -57.040 -62.874 1.00 36.89 O HETATM 1221 O HOH 120 -60.265 -58.319 -54.931 1.00 36.42 O HETATM 1222 O HOH 121 -57.923 -54.293 -94.167 1.00 35.89 O HETATM 1223 O HOH 122 -46.642 -60.931 -78.427 1.00 28.43 O HETATM 1224 O HOH 123 -57.355 -49.931 -90.460 1.00 43.86 O HETATM 1225 O HOH 124 -47.790 -68.039 -83.682 1.00 23.18 O HETATM 1226 O HOH 125 -69.741 -66.068 -74.877 1.00 37.41 O HETATM 1227 O HOH 126 -48.232 -57.281 -52.194 1.00 31.75 O HETATM 1228 O HOH 127 -57.647 -57.241 -56.033 1.00 20.76 O HETATM 1229 O HOH 128 -59.897 -51.440 -88.636 1.00 29.81 O HETATM 1230 O HOH 129 -66.585 -65.955 -88.734 1.00 39.34 O HETATM 1231 O HOH 130 -65.782 -56.082 -92.683 1.00 39.41 O HETATM 1232 O HOH 131 -63.629 -53.711 -89.051 1.00 27.10 O HETATM 1233 O HOH 132 -68.651 -58.349 -87.291 1.00 42.80 O HETATM 1234 O HOH 133 -59.276 -50.854 -91.332 1.00 43.60 O HETATM 1235 O HOH 134 -69.342 -66.392 -83.545 1.00 47.04 O HETATM 1236 O HOH 135 -69.694 -61.961 -87.130 1.00 39.31 O HETATM 1237 O HOH 136 -49.304 -52.688 -80.965 1.00 44.23 O HETATM 1238 O HOH 137 -67.963 -75.526 -72.760 1.00 23.80 O HETATM 1239 O HOH 138 -60.374 -56.366 -97.502 1.00 29.90 O HETATM 1240 O HOH 139 -61.291 -54.934 -58.788 1.00 28.11 O HETATM 1241 O HOH 140 -56.645 -55.997 -98.538 1.00 27.70 O HETATM 1242 O HOH 141 -49.033 -72.870 -79.071 1.00 29.68 O HETATM 1243 O HOH 142 -47.734 -63.371 -77.513 1.00 33.77 O HETATM 1244 O HOH 143 -46.036 -63.661 -58.770 1.00 50.27 O HETATM 1245 O HOH 144 -58.730 -57.784 -98.321 1.00 24.72 O HETATM 1246 O HOH 145 -67.303 -70.409 -86.524 1.00 43.58 O HETATM 1247 O HOH 146 -48.555 -73.141 -87.101 1.00 36.79 O HETATM 1248 O HOH 147 -49.435 -77.602 -94.642 1.00 30.25 O HETATM 1249 O HOH 148 -47.523 -78.049 -90.191 1.00 42.69 O HETATM 1250 O HOH 149 -67.231 -53.848 -64.183 1.00 29.81 O HETATM 1251 O HOH 150 -68.885 -71.296 -77.622 1.00 33.71 O HETATM 1252 O HOH 151 -68.817 -71.261 -75.437 1.00 23.23 O HETATM 1253 O HOH 152 -45.965 -65.447 -57.510 1.00 26.55 O HETATM 1254 O HOH 153 -68.480 -56.893 -82.966 1.00 32.11 O HETATM 1255 O HOH 154 -47.998 -67.950 -79.402 1.00 41.69 O HETATM 1256 O HOH 155 -59.554 -59.533-100.729 1.00 39.69 O HETATM 1257 O HOH 156 -65.564 -54.462 -80.626 1.00 37.09 O HETATM 1258 O HOH 157 -51.115 -50.567 -82.063 1.00 36.88 O HETATM 1259 O HOH 158 -58.668 -53.263 -57.374 1.00 30.55 O HETATM 1260 O HOH 159 -48.706 -58.165 -49.566 1.00 43.41 O HETATM 1261 O HOH 160 -67.880 -68.909 -88.761 1.00 54.94 O HETATM 1262 O HOH 161 -46.049 -68.965 -77.949 1.00 32.11 O HETATM 1263 O HOH 162 -57.534 -52.246 -55.187 1.00 31.93 O HETATM 1264 O6' RAF A 163 -54.394 -58.960 -96.657 1.00 -0.39 O HETATM 1265 C6' RAF A 163 -53.348 -59.483 -97.425 1.00 0.07 C HETATM 1266 C5' RAF A 163 -53.926 -60.318 -98.605 1.00 0.11 C HETATM 1267 C4' RAF A 163 -54.475 -61.691 -98.118 1.00 0.11 C HETATM 1268 O4' RAF A 163 -55.850 -61.696 -97.885 1.00 -0.39 O HETATM 1269 H6 RAF A 163 -56.117 -62.559 -97.592 1.00 0.21 H HETATM 1270 C3' RAF A 163 -54.200 -62.541 -99.391 1.00 0.14 C HETATM 1271 O3' RAF A 163 -54.063 -63.886 -99.084 1.00 -0.38 O HETATM 1272 H8 RAF A 163 -53.336 -64.000 -98.483 1.00 0.21 H HETATM 1273 C2' RAF A 163 -52.802 -61.997 -99.789 1.00 0.23 C HETATM 1274 O2' RAF A 163 -52.863 -60.601 -99.535 1.00 -0.34 O HETATM 1275 C1' RAF A 163 -52.451 -62.161-101.288 1.00 0.10 C HETATM 1276 O1' RAF A 163 -53.439 -61.540-102.029 1.00 -0.39 O HETATM 1277 H11 RAF A 163 -53.474 -60.619-101.799 1.00 0.21 H HETATM 1278 H9 RAF A 163 -52.407 -63.229-101.546 1.00 0.06 H HETATM 1279 H10 RAF A 163 -51.478 -61.693-101.497 1.00 0.06 H HETATM 1280 O1 RAF A 163 -51.794 -62.502 -98.934 1.00 -0.31 O HETATM 1281 C1 RAF A 163 -50.660 -61.727 -98.658 1.00 0.19 C HETATM 1282 C2 RAF A 163 -49.426 -62.582 -98.902 1.00 0.13 C HETATM 1283 O2 RAF A 163 -49.364 -62.860-100.275 1.00 -0.38 O HETATM 1284 H14 RAF A 163 -50.148 -63.328-100.538 1.00 0.21 H HETATM 1285 C3 RAF A 163 -49.579 -63.861 -98.070 1.00 0.11 C HETATM 1286 O3 RAF A 163 -48.395 -64.592 -98.226 1.00 -0.39 O HETATM 1287 H16 RAF A 163 -48.452 -65.396 -97.723 1.00 0.21 H HETATM 1288 C4 RAF A 163 -49.646 -63.415 -96.590 1.00 0.11 C HETATM 1289 O4 RAF A 163 -49.923 -64.518 -95.793 1.00 -0.39 O HETATM 1290 H18 RAF A 163 -49.236 -65.166 -95.901 1.00 0.21 H HETATM 1291 C5 RAF A 163 -50.820 -62.391 -96.387 1.00 0.11 C HETATM 1292 O5 RAF A 163 -50.715 -61.349 -97.316 1.00 -0.34 O HETATM 1293 C6 RAF A 163 -50.662 -61.705 -94.974 1.00 0.08 C HETATM 1294 O6 RAF A 163 -51.903 -61.067 -94.670 1.00 -0.35 O HETATM 1295 C1X RAF A 163 -52.729 -61.773 -93.751 1.00 0.19 C HETATM 1296 O5X RAF A 163 -52.018 -61.793 -92.533 1.00 -0.34 O HETATM 1297 C5X RAF A 163 -51.748 -60.569 -91.903 1.00 0.11 C HETATM 1298 C6X RAF A 163 -51.019 -60.820 -90.581 1.00 0.07 C HETATM 1299 O6X RAF A 163 -49.827 -61.442 -90.955 1.00 -0.39 O HETATM 1300 H26 RAF A 163 -50.023 -62.251 -91.412 1.00 0.21 H HETATM 1301 H24 RAF A 163 -51.612 -61.477 -89.928 1.00 0.06 H HETATM 1302 H25 RAF A 163 -50.817 -59.872 -90.062 1.00 0.06 H HETATM 1303 C4X RAF A 163 -52.979 -59.650 -91.757 1.00 0.11 C HETATM 1304 O4X RAF A 163 -53.886 -60.153 -90.802 1.00 -0.39 O HETATM 1305 H28 RAF A 163 -53.454 -60.215 -89.958 1.00 0.21 H HETATM 1306 C3X RAF A 163 -53.777 -59.543 -93.075 1.00 0.11 C HETATM 1307 O3X RAF A 163 -55.015 -58.922 -92.901 1.00 -0.39 O HETATM 1308 H30 RAF A 163 -55.467 -58.880 -93.736 1.00 0.21 H HETATM 1309 C2X RAF A 163 -54.061 -60.984 -93.595 1.00 0.13 C HETATM 1310 O2X RAF A 163 -54.640 -60.875 -94.861 1.00 -0.38 O HETATM 1311 H32 RAF A 163 -54.040 -60.426 -95.445 1.00 0.21 H HETATM 1312 H31 RAF A 163 -54.735 -61.511 -92.903 1.00 0.07 H HETATM 1313 H29 RAF A 163 -53.185 -58.981 -93.812 1.00 0.06 H HETATM 1314 H27 RAF A 163 -52.635 -58.651 -91.452 1.00 0.06 H HETATM 1315 H23 RAF A 163 -51.045 -60.029 -92.555 1.00 0.06 H HETATM 1316 H22 RAF A 163 -52.931 -62.796 -94.101 1.00 0.09 H HETATM 1317 H20 RAF A 163 -49.854 -60.960 -95.006 1.00 0.06 H HETATM 1318 H21 RAF A 163 -50.432 -62.463 -94.211 1.00 0.06 H HETATM 1319 H19 RAF A 163 -51.790 -62.901 -96.476 1.00 0.06 H HETATM 1320 H17 RAF A 163 -48.689 -62.959 -96.295 1.00 0.06 H HETATM 1321 H15 RAF A 163 -50.464 -64.444 -98.366 1.00 0.06 H HETATM 1322 H13 RAF A 163 -48.518 -62.045 -98.592 1.00 0.07 H HETATM 1323 H12 RAF A 163 -50.636 -60.836 -99.303 1.00 0.09 H HETATM 1324 H7 RAF A 163 -54.962 -62.391-100.170 1.00 0.07 H HETATM 1325 H5 RAF A 163 -53.938 -62.056 -97.230 1.00 0.06 H HETATM 1326 H4 RAF A 163 -54.727 -59.749 -99.099 1.00 0.06 H HETATM 1327 H2 RAF A 163 -52.719 -60.129 -96.794 1.00 0.06 H HETATM 1328 H3 RAF A 163 -52.741 -58.658 -97.825 1.00 0.06 H HETATM 1329 H1 RAF A 163 -54.918 -59.673 -96.311 1.00 0.21 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 326 325 1102 CONECT 855 853 1102 CONECT 880 879 1102 CONECT 909 908 1102 CONECT 1102 326 855 880 909 CONECT 1264 1265 1329 CONECT 1265 1264 1266 1327 1328 CONECT 1266 1265 1267 1274 1326 CONECT 1267 1266 1268 1270 1325 CONECT 1268 1267 1269 CONECT 1269 1268 CONECT 1270 1267 1271 1273 1324 CONECT 1271 1270 1272 CONECT 1272 1271 CONECT 1273 1270 1274 1275 1280 CONECT 1274 1266 1273 CONECT 1275 1273 1276 1278 1279 CONECT 1276 1275 1277 CONECT 1277 1276 CONECT 1278 1275 CONECT 1279 1275 CONECT 1280 1273 1281 CONECT 1281 1280 1282 1292 1323 CONECT 1282 1281 1283 1285 1322 CONECT 1283 1282 1284 CONECT 1284 1283 CONECT 1285 1282 1286 1288 1321 CONECT 1286 1285 1287 CONECT 1287 1286 CONECT 1288 1285 1289 1291 1320 CONECT 1289 1288 1290 CONECT 1290 1289 CONECT 1291 1288 1292 1293 1319 CONECT 1292 1281 1291 CONECT 1293 1291 1294 1317 1318 CONECT 1294 1293 1295 CONECT 1295 1294 1296 1309 1316 CONECT 1296 1295 1297 CONECT 1297 1296 1298 1303 1315 CONECT 1298 1297 1299 1301 1302 CONECT 1299 1298 1300 CONECT 1300 1299 CONECT 1301 1298 CONECT 1302 1298 CONECT 1303 1297 1304 1306 1314 CONECT 1304 1303 1305 CONECT 1305 1304 CONECT 1306 1303 1307 1309 1313 CONECT 1307 1306 1308 CONECT 1308 1307 CONECT 1309 1295 1306 1310 1312 CONECT 1310 1309 1311 CONECT 1311 1310 CONECT 1312 1309 CONECT 1313 1306 CONECT 1314 1303 CONECT 1315 1297 CONECT 1316 1295 CONECT 1317 1293 CONECT 1318 1293 CONECT 1319 1291 CONECT 1320 1288 CONECT 1321 1285 CONECT 1322 1282 CONECT 1323 1281 CONECT 1324 1270 CONECT 1325 1267 CONECT 1326 1266 CONECT 1327 1265 CONECT 1328 1265 CONECT 1329 1264 MASTER 0 0 0 0 0 0 0 0 1328 1 75 10 END
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Structure:
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Protein
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Related entries of code: 5ofx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5odu
RCSB PDB
PDBbind
122aa, >5ODU_1|Chains... *
5ofi
RCSB PDB
PDBbind
122aa, >5OFI_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4zs9
RCSB PDB
PDBbind
RAF
6epy
RCSB PDB
PDBbind
RAF
Entry Information
PDB ID
5ofx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PllA
Ligand Name
RAF
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
IC50=0.11mM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Biol. Chem. Vol. 292: pp. 19935-19951
Ligand Properties
Formula
C
1
8
H
3
2
O
1
6
Molecular Weight
504.437
Exact Mass
504.169
No. of atoms
66
No. of bonds
68
Polar Surface Area
268.68
LOGP Value
-6.02 (
Computed with XLOGP3
)
-7.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
InChI String
InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
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):
Q7N561
Entrez Gene ID
NCBI Entrez Gene ID:
24166541
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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