Browse entries in the PDBbind-CN Database
HEADER 5YOF_COMPLEX COMPND 5YOF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 39 ASP MET TYR ILE GLU ARG ALA GLY ASP ILE THR TRP GLU SEQRES 2 A 39 LYS ASP ALA GLU VAL THR GLY ASN SER PRO ARG LEU ASP SEQRES 3 A 39 VAL ALA LEU ASP GLU SER GLY ASP PHE SER LEU VAL GLU SEQRES 1 B 156 GLY GLU THR THR ASP GLY VAL TYR ARG VAL MET THR ARG SEQRES 2 B 156 ARG LEU LEU GLY SER THR GLN VAL GLY VAL GLY VAL MET SEQRES 3 B 156 GLN GLU GLY VAL PHE HIS THR MET TRP HIS VAL THR LYS SEQRES 4 B 156 GLY ALA ALA LEU ARG SER GLY GLU GLY ARG LEU ASP PRO SEQRES 5 B 156 TYR TRP GLY ASP VAL LYS GLN ASP LEU VAL SER TYR CYS SEQRES 6 B 156 GLY PRO TRP LYS LEU ASP ALA ALA TRP ASP GLY LEU SER SEQRES 7 B 156 GLU VAL GLN LEU LEU ALA VAL PRO PRO GLY GLU ARG ALA SEQRES 8 B 156 LYS ASN ILE GLN THR LEU PRO GLY ILE PHE LYS THR LYS SEQRES 9 B 156 ASP GLY ASP ILE GLY ALA VAL ALA LEU ASP TYR PRO ALA SEQRES 10 B 156 GLY THR SER GLY SER PRO ILE LEU ASP LYS SER GLY ARG SEQRES 11 B 156 VAL ILE GLY LEU TYR GLY ASN GLY VAL VAL ILE LYS ASN SEQRES 12 B 156 GLY SER TYR VAL SER ALA ILE THR GLN GLY LYS ARG GLU HET UNN A 294 53 ATOM 1 N ASP A 50 -0.206 1.331 -7.399 1.00 57.95 N ATOM 2 CA ASP A 50 0.943 2.226 -7.332 1.00 56.84 C ATOM 3 C ASP A 50 1.227 2.849 -8.706 1.00 52.56 C ATOM 4 O ASP A 50 1.292 2.159 -9.729 1.00 56.50 O ATOM 5 CB ASP A 50 2.167 1.476 -6.799 1.00 65.93 C ATOM 6 CG ASP A 50 3.447 2.265 -6.945 1.00 72.83 C ATOM 7 OD1 ASP A 50 4.341 1.805 -7.687 1.00 77.04 O ATOM 8 OD2 ASP A 50 3.559 3.347 -6.328 1.00 77.88 O ATOM 9 HN3 ASP A 50 -0.011 0.569 -8.080 1.00 0.00 H ATOM 10 HN2 ASP A 50 -1.043 1.866 -7.705 1.00 0.00 H ATOM 11 HN1 ASP A 50 -0.380 0.921 -6.459 1.00 0.00 H ATOM 12 N MET A 51 1.394 4.162 -8.717 1.00 44.69 N ATOM 13 CA MET A 51 1.424 4.938 -9.949 1.00 40.38 C ATOM 14 C MET A 51 2.853 5.220 -10.389 1.00 39.21 C ATOM 15 O MET A 51 3.757 5.371 -9.567 1.00 41.37 O ATOM 16 CB MET A 51 0.675 6.255 -9.764 1.00 41.76 C ATOM 17 CG MET A 51 -0.795 6.091 -9.442 1.00 43.52 C ATOM 18 SD MET A 51 -1.597 7.703 -9.272 1.00 47.19 S ATOM 19 CE MET A 51 -3.298 7.208 -9.021 1.00 51.66 C ATOM 20 H MET A 51 1.508 4.659 -7.811 1.00 0.00 H ATOM 21 N TYR A 52 3.044 5.305 -11.708 1.00 37.24 N ATOM 22 CA TYR A 52 4.349 5.585 -12.285 1.00 40.71 C ATOM 23 C TYR A 52 4.167 6.540 -13.453 1.00 37.27 C ATOM 24 O TYR A 52 3.074 6.666 -14.006 1.00 37.00 O ATOM 25 CB TYR A 52 5.070 4.299 -12.732 1.00 40.40 C ATOM 26 CG TYR A 52 4.352 3.474 -13.785 1.00 41.64 C ATOM 27 CD1 TYR A 52 3.316 2.614 -13.440 1.00 41.90 C ATOM 28 CD2 TYR A 52 4.729 3.541 -15.119 1.00 42.44 C ATOM 29 CE1 TYR A 52 2.664 1.852 -14.400 1.00 43.35 C ATOM 30 CE2 TYR A 52 4.087 2.776 -16.085 1.00 43.77 C ATOM 31 CZ TYR A 52 3.056 1.937 -15.719 1.00 45.97 C ATOM 32 OH TYR A 52 2.409 1.179 -16.676 1.00 49.86 O ATOM 33 HH TYR A 52 2.002 1.779 -17.351 1.00 0.00 H ATOM 34 H TYR A 52 2.233 5.166 -12.344 1.00 0.00 H ATOM 35 N ILE A 53 5.242 7.235 -13.814 1.00 34.59 N ATOM 36 CA ILE A 53 5.175 8.210 -14.897 1.00 32.97 C ATOM 37 C ILE A 53 6.051 7.752 -16.059 1.00 35.27 C ATOM 38 O ILE A 53 7.047 7.044 -15.878 1.00 36.75 O ATOM 39 CB ILE A 53 5.567 9.632 -14.427 1.00 31.72 C ATOM 40 CG1 ILE A 53 7.051 9.709 -14.056 1.00 33.73 C ATOM 41 CG2 ILE A 53 4.682 10.079 -13.256 1.00 32.15 C ATOM 42 CD1 ILE A 53 7.510 11.122 -13.656 1.00 34.02 C ATOM 43 H ILE A 53 6.143 7.081 -13.317 1.00 0.00 H ATOM 44 N GLU A 54 5.649 8.147 -17.269 1.00 33.33 N ATOM 45 CA GLU A 54 6.353 7.807 -18.503 1.00 34.98 C ATOM 46 C GLU A 54 6.390 9.038 -19.391 1.00 33.49 C ATOM 47 O GLU A 54 5.357 9.677 -19.607 1.00 35.49 O ATOM 48 CB GLU A 54 5.667 6.658 -19.244 1.00 44.32 C ATOM 49 CG GLU A 54 5.938 5.291 -18.662 1.00 53.35 C ATOM 50 CD GLU A 54 5.272 4.192 -19.468 1.00 58.55 C ATOM 51 OE1 GLU A 54 5.721 3.029 -19.380 1.00 66.90 O ATOM 52 OE2 GLU A 54 4.300 4.490 -20.201 1.00 56.88 O ATOM 53 H GLU A 54 4.789 8.728 -17.337 1.00 0.00 H ATOM 54 N ARG A 55 7.570 9.379 -19.899 1.00 36.37 N ATOM 55 CA ARG A 55 7.686 10.603 -20.680 1.00 36.25 C ATOM 56 C ARG A 55 6.886 10.474 -21.969 1.00 37.91 C ATOM 57 O ARG A 55 6.851 9.407 -22.585 1.00 41.31 O ATOM 58 CB ARG A 55 9.155 10.908 -20.989 1.00 42.31 C ATOM 59 CG ARG A 55 9.342 12.265 -21.651 1.00 46.01 C ATOM 60 CD ARG A 55 10.797 12.586 -21.882 1.00 58.52 C ATOM 61 NE ARG A 55 11.003 14.028 -22.040 1.00 59.13 N ATOM 62 CZ ARG A 55 10.990 14.644 -23.216 1.00 53.40 C ATOM 63 NH1 ARG A 55 10.765 13.941 -24.313 1.00 59.61 N ATOM 64 NH2 ARG A 55 11.183 15.953 -23.288 1.00 48.61 N ATOM 65 HE ARG A 55 11.168 14.599 -21.186 1.00 0.00 H ATOM 66 HH12 ARG A 55 10.753 14.413 -25.240 1.00 0.00 H ATOM 67 HH11 ARG A 55 10.601 12.916 -24.249 1.00 0.00 H ATOM 68 HH22 ARG A 55 11.172 16.430 -24.212 1.00 0.00 H ATOM 69 HH21 ARG A 55 11.346 16.503 -22.421 1.00 0.00 H ATOM 70 H ARG A 55 8.403 8.777 -19.740 1.00 0.00 H ATOM 71 N ALA A 56 6.204 11.563 -22.359 1.00 32.34 N ATOM 72 CA ALA A 56 5.425 11.567 -23.595 1.00 36.39 C ATOM 73 C ALA A 56 5.860 12.621 -24.600 1.00 35.72 C ATOM 74 O ALA A 56 5.428 12.552 -25.758 1.00 40.80 O ATOM 75 CB ALA A 56 3.928 11.762 -23.296 1.00 38.81 C ATOM 76 H ALA A 56 6.231 12.420 -21.770 1.00 0.00 H ATOM 77 N GLY A 57 6.700 13.569 -24.223 1.00 35.68 N ATOM 78 CA GLY A 57 7.266 14.465 -25.208 1.00 39.89 C ATOM 79 C GLY A 57 7.775 15.748 -24.593 1.00 31.55 C ATOM 80 O GLY A 57 7.771 15.935 -23.374 1.00 30.63 O ATOM 81 H GLY A 57 6.954 13.671 -23.220 1.00 0.00 H ATOM 82 N ASP A 58 8.249 16.621 -25.478 1.00 38.80 N ATOM 83 CA ASP A 58 8.643 17.974 -25.127 1.00 34.55 C ATOM 84 C ASP A 58 7.418 18.871 -25.047 1.00 37.21 C ATOM 85 O ASP A 58 6.375 18.606 -25.652 1.00 43.43 O ATOM 86 CB ASP A 58 9.605 18.554 -26.174 1.00 38.81 C ATOM 87 CG ASP A 58 10.958 17.867 -26.181 1.00 47.28 C ATOM 88 OD1 ASP A 58 11.137 16.877 -25.445 1.00 52.44 O ATOM 89 OD2 ASP A 58 11.848 18.321 -26.930 1.00 51.61 O ATOM 90 H ASP A 58 8.342 16.320 -26.469 1.00 0.00 H ATOM 91 N ILE A 59 7.568 19.966 -24.318 1.00 37.19 N ATOM 92 CA ILE A 59 6.529 20.976 -24.201 1.00 38.32 C ATOM 93 C ILE A 59 6.910 22.123 -25.129 1.00 38.09 C ATOM 94 O ILE A 59 7.808 22.918 -24.834 1.00 39.65 O ATOM 95 CB ILE A 59 6.367 21.431 -22.755 1.00 42.88 C ATOM 96 CG1 ILE A 59 5.724 20.301 -21.952 1.00 41.22 C ATOM 97 CG2 ILE A 59 5.564 22.702 -22.699 1.00 44.79 C ATOM 98 CD1 ILE A 59 5.665 20.555 -20.503 1.00 36.66 C ATOM 99 H ILE A 59 8.464 20.109 -23.809 1.00 0.00 H ATOM 100 N THR A 60 6.242 22.201 -26.274 1.00 44.04 N ATOM 101 CA THR A 60 6.569 23.221 -27.258 1.00 49.54 C ATOM 102 C THR A 60 5.293 23.665 -27.952 1.00 48.62 C ATOM 103 O THR A 60 4.335 22.897 -28.073 1.00 50.56 O ATOM 104 CB THR A 60 7.580 22.716 -28.295 1.00 57.86 C ATOM 105 OG1 THR A 60 7.038 21.579 -28.977 1.00 65.79 O ATOM 106 CG2 THR A 60 8.910 22.329 -27.641 1.00 48.06 C ATOM 107 HG1 THR A 60 6.199 21.839 -29.433 1.00 0.00 H ATOM 108 H THR A 60 5.476 21.525 -26.469 1.00 0.00 H ATOM 109 N TRP A 61 5.288 24.921 -28.392 1.00 51.23 N ATOM 110 CA TRP A 61 4.221 25.426 -29.246 1.00 53.33 C ATOM 111 C TRP A 61 4.357 24.846 -30.654 1.00 50.22 C ATOM 112 O TRP A 61 5.464 24.738 -31.194 1.00 53.25 O ATOM 113 CB TRP A 61 4.283 26.955 -29.277 1.00 51.54 C ATOM 114 CG TRP A 61 3.206 27.647 -30.063 1.00 49.61 C ATOM 115 CD1 TRP A 61 3.220 27.949 -31.400 1.00 56.93 C ATOM 116 CD2 TRP A 61 1.982 28.177 -29.547 1.00 46.93 C ATOM 117 NE1 TRP A 61 2.064 28.607 -31.748 1.00 54.25 N ATOM 118 CE2 TRP A 61 1.289 28.759 -30.626 1.00 49.16 C ATOM 119 CE3 TRP A 61 1.392 28.195 -28.280 1.00 42.45 C ATOM 120 CZ2 TRP A 61 0.040 29.361 -30.472 1.00 47.86 C ATOM 121 CZ3 TRP A 61 0.156 28.795 -28.130 1.00 46.40 C ATOM 122 CH2 TRP A 61 -0.507 29.369 -29.222 1.00 46.81 C ATOM 123 HE1 TRP A 61 1.818 28.935 -32.704 1.00 0.00 H ATOM 124 H TRP A 61 6.064 25.557 -28.120 1.00 0.00 H ATOM 125 N GLU A 62 3.235 24.434 -31.247 1.00 51.22 N ATOM 126 CA GLU A 62 3.240 23.913 -32.614 1.00 54.48 C ATOM 127 C GLU A 62 2.694 24.979 -33.559 1.00 53.64 C ATOM 128 O GLU A 62 1.568 25.450 -33.384 1.00 56.44 O ATOM 129 CB GLU A 62 2.426 22.624 -32.747 1.00 57.66 C ATOM 130 CG GLU A 62 2.432 22.094 -34.200 1.00 63.98 C ATOM 131 CD GLU A 62 1.375 21.037 -34.485 1.00 67.10 C ATOM 132 OE1 GLU A 62 1.367 20.500 -35.616 1.00 73.13 O ATOM 133 OE2 GLU A 62 0.554 20.743 -33.590 1.00 69.96 O ATOM 134 H GLU A 62 2.337 24.484 -30.726 1.00 0.00 H ATOM 135 N LYS A 63 3.487 25.332 -34.572 1.00 56.22 N ATOM 136 CA LYS A 63 3.194 26.519 -35.376 1.00 66.04 C ATOM 137 C LYS A 63 1.886 26.387 -36.153 1.00 67.92 C ATOM 138 O LYS A 63 1.150 27.369 -36.306 1.00 74.40 O ATOM 139 CB LYS A 63 4.354 26.799 -36.330 1.00 67.48 C ATOM 140 H LYS A 63 4.324 24.756 -34.793 1.00 0.00 H ATOM 141 N ASP A 64 1.579 25.197 -36.666 1.00 63.94 N ATOM 142 CA ASP A 64 0.392 25.064 -37.506 1.00 67.64 C ATOM 143 C ASP A 64 -0.614 24.096 -36.895 1.00 69.24 C ATOM 144 O ASP A 64 -1.072 23.164 -37.562 1.00 72.97 O ATOM 145 CB ASP A 64 0.782 24.613 -38.919 1.00 79.00 C ATOM 146 H ASP A 64 2.179 24.370 -36.470 1.00 0.00 H ATOM 147 N ALA A 65 -0.983 24.322 -35.639 1.00 63.08 N ATOM 148 CA ALA A 65 -1.825 23.380 -34.916 1.00 63.41 C ATOM 149 C ALA A 65 -3.285 23.500 -35.339 1.00 65.57 C ATOM 150 O ALA A 65 -3.742 24.555 -35.788 1.00 66.39 O ATOM 151 CB ALA A 65 -1.703 23.604 -33.412 1.00 58.33 C ATOM 152 H ALA A 65 -0.664 25.190 -35.163 1.00 0.00 H ATOM 153 N GLU A 66 -4.014 22.393 -35.195 1.00 67.42 N ATOM 154 CA GLU A 66 -5.457 22.413 -35.394 1.00 69.45 C ATOM 155 C GLU A 66 -6.093 23.364 -34.395 1.00 60.49 C ATOM 156 O GLU A 66 -5.780 23.319 -33.207 1.00 52.53 O ATOM 157 CB GLU A 66 -6.033 21.008 -35.220 1.00 74.67 C ATOM 158 H GLU A 66 -3.545 21.501 -34.937 1.00 0.00 H ATOM 159 N VAL A 67 -6.978 24.234 -34.875 1.00 63.36 N ATOM 160 CA VAL A 67 -7.661 25.208 -34.029 1.00 57.68 C ATOM 161 C VAL A 67 -9.091 24.734 -33.803 1.00 54.26 C ATOM 162 O VAL A 67 -9.793 24.370 -34.758 1.00 58.93 O ATOM 163 CB VAL A 67 -7.639 26.611 -34.658 1.00 61.36 C ATOM 164 CG1 VAL A 67 -8.195 27.623 -33.684 1.00 60.35 C ATOM 165 CG2 VAL A 67 -6.226 26.992 -35.073 1.00 61.17 C ATOM 166 H VAL A 67 -7.191 24.219 -35.893 1.00 0.00 H ATOM 167 N THR A 68 -9.529 24.754 -32.547 1.00 52.31 N ATOM 168 CA THR A 68 -10.828 24.215 -32.170 1.00 62.11 C ATOM 169 C THR A 68 -11.343 24.986 -30.964 1.00 59.20 C ATOM 170 O THR A 68 -10.591 25.682 -30.279 1.00 55.98 O ATOM 171 CB THR A 68 -10.739 22.712 -31.836 1.00 76.22 C ATOM 172 OG1 THR A 68 -9.859 22.063 -32.764 1.00 87.93 O ATOM 173 CG2 THR A 68 -12.112 22.040 -31.920 1.00 80.02 C ATOM 174 HG1 THR A 68 -10.209 22.176 -33.683 1.00 0.00 H ATOM 175 H THR A 68 -8.923 25.168 -31.810 1.00 0.00 H ATOM 176 N GLY A 69 -12.632 24.845 -30.709 1.00 57.86 N ATOM 177 CA GLY A 69 -13.195 25.308 -29.452 1.00 54.71 C ATOM 178 C GLY A 69 -13.671 26.742 -29.516 1.00 55.24 C ATOM 179 O GLY A 69 -13.172 27.566 -30.282 1.00 58.66 O ATOM 180 H GLY A 69 -13.250 24.398 -31.416 1.00 0.00 H ATOM 181 N ASN A 70 -14.669 27.039 -28.693 1.00 52.64 N ATOM 182 CA ASN A 70 -15.203 28.380 -28.569 1.00 55.37 C ATOM 183 C ASN A 70 -14.622 29.015 -27.310 1.00 49.12 C ATOM 184 O ASN A 70 -13.702 28.473 -26.682 1.00 47.85 O ATOM 185 CB ASN A 70 -16.735 28.343 -28.576 1.00 58.57 C ATOM 186 CG ASN A 70 -17.310 27.559 -27.410 1.00 60.16 C ATOM 187 OD1 ASN A 70 -16.868 26.448 -27.107 1.00 55.77 O ATOM 188 ND2 ASN A 70 -18.303 28.140 -26.746 1.00 67.69 N ATOM 189 HD22 ASN A 70 -18.644 29.078 -27.037 1.00 0.00 H ATOM 190 HD21 ASN A 70 -18.739 27.656 -25.935 1.00 0.00 H ATOM 191 H ASN A 70 -15.083 26.280 -28.115 1.00 0.00 H ATOM 192 N SER A 71 -15.164 30.165 -26.914 1.00 47.11 N ATOM 193 CA SER A 71 -14.603 30.972 -25.829 1.00 48.18 C ATOM 194 C SER A 71 -15.707 31.379 -24.859 1.00 49.61 C ATOM 195 O SER A 71 -16.020 32.568 -24.715 1.00 48.23 O ATOM 196 CB SER A 71 -13.889 32.201 -26.390 1.00 50.66 C ATOM 197 OG SER A 71 -13.057 31.857 -27.485 1.00 52.86 O ATOM 198 HG SER A 71 -12.375 31.204 -27.187 1.00 0.00 H ATOM 199 H SER A 71 -16.021 30.504 -27.395 1.00 0.00 H ATOM 200 N PRO A 72 -16.296 30.418 -24.148 1.00 46.46 N ATOM 201 CA PRO A 72 -17.474 30.734 -23.336 1.00 47.63 C ATOM 202 C PRO A 72 -17.110 31.548 -22.106 1.00 47.60 C ATOM 203 O PRO A 72 -16.058 31.349 -21.492 1.00 43.34 O ATOM 204 CB PRO A 72 -18.014 29.354 -22.952 1.00 51.68 C ATOM 205 CG PRO A 72 -16.793 28.497 -22.904 1.00 51.84 C ATOM 206 CD PRO A 72 -15.904 29.003 -24.019 1.00 47.66 C ATOM 207 N ARG A 73 -18.003 32.461 -21.739 1.00 52.10 N ATOM 208 CA ARG A 73 -17.854 33.266 -20.530 1.00 52.06 C ATOM 209 C ARG A 73 -18.923 32.848 -19.531 1.00 49.45 C ATOM 210 O ARG A 73 -20.104 33.168 -19.701 1.00 49.99 O ATOM 211 CB ARG A 73 -17.943 34.753 -20.846 1.00 58.13 C ATOM 212 CG ARG A 73 -16.776 35.249 -21.663 1.00 57.51 C ATOM 213 CD ARG A 73 -16.879 36.715 -21.882 1.00 65.18 C ATOM 214 NE ARG A 73 -15.709 37.242 -22.591 1.00 67.74 N ATOM 215 CZ ARG A 73 -15.408 38.531 -22.683 1.00 67.99 C ATOM 216 NH1 ARG A 73 -16.196 39.433 -22.108 1.00 70.05 N ATOM 217 NH2 ARG A 73 -14.325 38.909 -23.347 1.00 62.76 N ATOM 218 HE ARG A 73 -15.073 36.561 -23.052 1.00 0.00 H ATOM 219 HH12 ARG A 73 -15.965 40.445 -22.177 1.00 0.00 H ATOM 220 HH11 ARG A 73 -17.044 39.127 -21.589 1.00 0.00 H ATOM 221 HH22 ARG A 73 -14.086 39.919 -23.421 1.00 0.00 H ATOM 222 HH21 ARG A 73 -13.714 38.196 -23.794 1.00 0.00 H ATOM 223 H ARG A 73 -18.841 32.608 -22.337 1.00 0.00 H ATOM 224 N LEU A 74 -18.500 32.154 -18.479 1.00 48.88 N ATOM 225 CA LEU A 74 -19.405 31.529 -17.531 1.00 50.84 C ATOM 226 C LEU A 74 -19.135 32.051 -16.130 1.00 45.73 C ATOM 227 O LEU A 74 -17.979 32.239 -15.734 1.00 47.74 O ATOM 228 CB LEU A 74 -19.246 30.009 -17.555 1.00 50.19 C ATOM 229 CG LEU A 74 -19.065 29.415 -18.956 1.00 55.18 C ATOM 230 CD1 LEU A 74 -18.452 28.023 -18.881 1.00 56.70 C ATOM 231 CD2 LEU A 74 -20.395 29.381 -19.699 1.00 57.18 C ATOM 232 H LEU A 74 -17.476 32.054 -18.328 1.00 0.00 H ATOM 233 N ASP A 75 -20.210 32.287 -15.385 1.00 44.48 N ATOM 234 CA ASP A 75 -20.100 32.546 -13.957 1.00 45.31 C ATOM 235 C ASP A 75 -20.037 31.215 -13.220 1.00 47.52 C ATOM 236 O ASP A 75 -20.903 30.352 -13.404 1.00 47.00 O ATOM 237 CB ASP A 75 -21.283 33.381 -13.469 1.00 55.12 C ATOM 238 CG ASP A 75 -21.190 34.835 -13.896 1.00 67.06 C ATOM 239 OD1 ASP A 75 -20.317 35.155 -14.730 1.00 68.48 O ATOM 240 OD2 ASP A 75 -21.999 35.656 -13.408 1.00 74.41 O ATOM 241 H ASP A 75 -21.149 32.287 -15.832 1.00 0.00 H ATOM 242 N VAL A 76 -18.999 31.034 -12.404 1.00 44.24 N ATOM 243 CA VAL A 76 -18.778 29.760 -11.742 1.00 43.95 C ATOM 244 C VAL A 76 -18.494 30.009 -10.271 1.00 44.19 C ATOM 245 O VAL A 76 -18.135 31.113 -9.855 1.00 41.52 O ATOM 246 CB VAL A 76 -17.621 28.945 -12.367 1.00 42.48 C ATOM 247 CG1 VAL A 76 -17.949 28.556 -13.804 1.00 41.41 C ATOM 248 CG2 VAL A 76 -16.315 29.710 -12.276 1.00 42.70 C ATOM 249 H VAL A 76 -18.336 31.818 -12.238 1.00 0.00 H ATOM 250 N ALA A 77 -18.671 28.954 -9.488 1.00 39.44 N ATOM 251 CA ALA A 77 -18.327 28.931 -8.076 1.00 38.56 C ATOM 252 C ALA A 77 -17.377 27.769 -7.838 1.00 38.20 C ATOM 253 O ALA A 77 -17.489 26.723 -8.483 1.00 36.75 O ATOM 254 CB ALA A 77 -19.576 28.794 -7.204 1.00 40.71 C ATOM 255 H ALA A 77 -19.079 28.094 -9.908 1.00 0.00 H ATOM 256 N LEU A 78 -16.427 27.957 -6.930 1.00 38.74 N ATOM 257 CA LEU A 78 -15.450 26.930 -6.595 1.00 36.22 C ATOM 258 C LEU A 78 -15.630 26.570 -5.127 1.00 39.39 C ATOM 259 O LEU A 78 -15.539 27.444 -4.259 1.00 40.96 O ATOM 260 CB LEU A 78 -14.031 27.426 -6.875 1.00 33.17 C ATOM 261 CG LEU A 78 -12.884 26.477 -6.543 1.00 33.95 C ATOM 262 CD1 LEU A 78 -12.941 25.211 -7.388 1.00 33.30 C ATOM 263 CD2 LEU A 78 -11.566 27.211 -6.727 1.00 35.40 C ATOM 264 H LEU A 78 -16.379 28.873 -6.439 1.00 0.00 H ATOM 265 N ASP A 79 -15.930 25.303 -4.847 1.00 35.64 N ATOM 266 CA ASP A 79 -16.200 24.957 -3.461 1.00 36.70 C ATOM 267 C ASP A 79 -14.940 24.431 -2.783 1.00 35.48 C ATOM 268 O ASP A 79 -13.866 24.339 -3.383 1.00 33.86 O ATOM 269 CB ASP A 79 -17.373 23.975 -3.345 1.00 38.39 C ATOM 270 CG ASP A 79 -17.061 22.574 -3.865 1.00 38.06 C ATOM 271 OD1 ASP A 79 -15.895 22.229 -4.121 1.00 36.18 O ATOM 272 OD2 ASP A 79 -18.031 21.793 -4.012 1.00 45.78 O ATOM 273 H ASP A 79 -15.970 24.583 -5.597 1.00 0.00 H ATOM 274 N GLU A 80 -15.080 24.075 -1.500 1.00 36.52 N ATOM 275 CA GLU A 80 -13.911 23.686 -0.724 1.00 36.95 C ATOM 276 C GLU A 80 -13.284 22.392 -1.223 1.00 37.93 C ATOM 277 O GLU A 80 -12.081 22.180 -1.022 1.00 35.29 O ATOM 278 CB GLU A 80 -14.285 23.565 0.753 1.00 37.41 C ATOM 279 CG GLU A 80 -13.088 23.688 1.669 1.00 43.92 C ATOM 280 CD GLU A 80 -13.467 23.653 3.129 1.00 47.47 C ATOM 281 OE1 GLU A 80 -13.650 22.543 3.688 1.00 51.23 O ATOM 282 OE2 GLU A 80 -13.606 24.744 3.724 1.00 54.24 O ATOM 283 H GLU A 80 -16.022 24.076 -1.059 1.00 0.00 H ATOM 284 N SER A 81 -14.052 21.545 -1.901 1.00 35.36 N ATOM 285 CA SER A 81 -13.527 20.303 -2.448 1.00 34.81 C ATOM 286 C SER A 81 -12.844 20.491 -3.801 1.00 33.31 C ATOM 287 O SER A 81 -12.411 19.502 -4.407 1.00 33.03 O ATOM 288 CB SER A 81 -14.651 19.277 -2.562 1.00 37.21 C ATOM 289 OG SER A 81 -15.109 18.932 -1.264 1.00 43.14 O ATOM 290 HG SER A 81 -14.361 18.546 -0.743 1.00 0.00 H ATOM 291 H SER A 81 -15.056 21.776 -2.044 1.00 0.00 H ATOM 292 N GLY A 82 -12.707 21.729 -4.269 1.00 32.57 N ATOM 293 CA GLY A 82 -12.059 21.983 -5.539 1.00 31.39 C ATOM 294 C GLY A 82 -12.929 21.701 -6.736 1.00 31.99 C ATOM 295 O GLY A 82 -12.409 21.520 -7.838 1.00 31.34 O ATOM 296 H GLY A 82 -13.072 22.529 -3.713 1.00 0.00 H ATOM 297 N ASP A 83 -14.241 21.649 -6.563 1.00 33.44 N ATOM 298 CA ASP A 83 -15.138 21.401 -7.684 1.00 34.32 C ATOM 299 C ASP A 83 -15.785 22.703 -8.136 1.00 34.70 C ATOM 300 O ASP A 83 -16.301 23.470 -7.317 1.00 35.37 O ATOM 301 CB ASP A 83 -16.199 20.361 -7.311 1.00 36.06 C ATOM 302 CG ASP A 83 -15.590 19.032 -6.864 1.00 42.64 C ATOM 303 OD1 ASP A 83 -14.786 18.462 -7.632 1.00 42.77 O ATOM 304 OD2 ASP A 83 -15.921 18.535 -5.762 1.00 45.57 O ATOM 305 H ASP A 83 -14.637 21.787 -5.612 1.00 0.00 H ATOM 306 N PHE A 84 -15.774 22.938 -9.449 1.00 34.53 N ATOM 307 CA PHE A 84 -16.463 24.082 -10.017 1.00 35.49 C ATOM 308 C PHE A 84 -17.926 23.737 -10.246 1.00 38.99 C ATOM 309 O PHE A 84 -18.273 22.591 -10.536 1.00 38.23 O ATOM 310 CB PHE A 84 -15.838 24.496 -11.352 1.00 34.46 C ATOM 311 CG PHE A 84 -14.515 25.187 -11.226 1.00 32.83 C ATOM 312 CD1 PHE A 84 -14.438 26.509 -10.814 1.00 32.72 C ATOM 313 CD2 PHE A 84 -13.345 24.526 -11.561 1.00 31.67 C ATOM 314 CE1 PHE A 84 -13.199 27.144 -10.713 1.00 31.43 C ATOM 315 CE2 PHE A 84 -12.115 25.153 -11.468 1.00 32.91 C ATOM 316 CZ PHE A 84 -12.041 26.461 -11.041 1.00 30.27 C ATOM 317 H PHE A 84 -15.261 22.288 -10.079 1.00 0.00 H ATOM 318 N SER A 85 -18.784 24.738 -10.083 1.00 38.54 N ATOM 319 CA SER A 85 -20.191 24.618 -10.428 1.00 42.15 C ATOM 320 C SER A 85 -20.610 25.879 -11.163 1.00 42.10 C ATOM 321 O SER A 85 -20.005 26.942 -11.008 1.00 42.54 O ATOM 322 CB SER A 85 -21.070 24.410 -9.192 1.00 46.15 C ATOM 323 OG SER A 85 -20.946 25.501 -8.298 1.00 49.30 O ATOM 324 HG SER A 85 -20.003 25.584 -8.009 1.00 0.00 H ATOM 325 H SER A 85 -18.437 25.639 -9.695 1.00 0.00 H ATOM 326 N LEU A 86 -21.655 25.751 -11.970 1.00 46.24 N ATOM 327 CA LEU A 86 -22.218 26.895 -12.663 1.00 48.50 C ATOM 328 C LEU A 86 -23.235 27.569 -11.760 1.00 55.55 C ATOM 329 O LEU A 86 -24.039 26.898 -11.105 1.00 58.36 O ATOM 330 CB LEU A 86 -22.875 26.464 -13.973 1.00 51.33 C ATOM 331 CG LEU A 86 -21.886 25.766 -14.902 1.00 56.02 C ATOM 332 CD1 LEU A 86 -22.552 24.603 -15.635 1.00 65.95 C ATOM 333 CD2 LEU A 86 -21.293 26.768 -15.873 1.00 51.78 C ATOM 334 H LEU A 86 -22.079 24.812 -12.109 1.00 0.00 H ATOM 335 N VAL A 87 -23.179 28.893 -11.701 1.00 53.97 N ATOM 336 CA VAL A 87 -24.143 29.664 -10.930 1.00 60.92 C ATOM 337 C VAL A 87 -25.105 30.325 -11.906 1.00 62.65 C ATOM 338 O VAL A 87 -24.762 30.587 -13.064 1.00 63.60 O ATOM 339 CB VAL A 87 -23.460 30.703 -10.014 1.00 62.33 C ATOM 340 CG1 VAL A 87 -22.305 30.061 -9.259 1.00 58.58 C ATOM 341 CG2 VAL A 87 -22.974 31.888 -10.812 1.00 65.22 C ATOM 342 H VAL A 87 -22.428 29.392 -12.218 1.00 0.00 H ATOM 343 N GLU A 88 -26.325 30.569 -11.442 1.00 66.20 N ATOM 344 CA GLU A 88 -27.358 31.155 -12.292 1.00 69.73 C ATOM 345 C GLU A 88 -28.382 31.928 -11.466 1.00 73.96 C ATOM 346 O GLU A 88 -29.411 32.367 -11.985 1.00 80.13 O ATOM 347 CB GLU A 88 -28.058 30.068 -13.113 1.00 70.69 C ATOM 348 H GLU A 88 -26.550 30.338 -10.453 1.00 0.00 H TER 349 GLU A 88 ATOM 350 N GLY B 16 15.300 7.970 -11.723 1.00 71.53 N ATOM 351 CA GLY B 16 14.589 7.826 -12.981 1.00 70.87 C ATOM 352 C GLY B 16 14.703 9.039 -13.882 1.00 68.99 C ATOM 353 O GLY B 16 15.440 9.978 -13.578 1.00 70.98 O ATOM 354 HN3 GLY B 16 14.917 8.784 -11.201 1.00 0.00 H ATOM 355 HN2 GLY B 16 16.311 8.123 -11.913 1.00 0.00 H ATOM 356 HN1 GLY B 16 15.180 7.106 -11.157 1.00 0.00 H ATOM 357 N GLU B 17 13.974 9.022 -14.997 1.00 63.84 N ATOM 358 CA GLU B 17 14.017 10.141 -15.931 1.00 62.14 C ATOM 359 C GLU B 17 13.401 11.383 -15.297 1.00 59.89 C ATOM 360 O GLU B 17 12.284 11.340 -14.769 1.00 60.43 O ATOM 361 CB GLU B 17 13.288 9.788 -17.229 1.00 58.28 C ATOM 362 CG GLU B 17 13.386 10.869 -18.300 1.00 59.71 C ATOM 363 CD GLU B 17 12.894 10.398 -19.659 1.00 65.55 C ATOM 364 OE1 GLU B 17 12.044 9.483 -19.699 1.00 62.61 O ATOM 365 OE2 GLU B 17 13.373 10.928 -20.687 1.00 70.40 O ATOM 366 H GLU B 17 13.368 8.202 -15.203 1.00 0.00 H ATOM 367 N THR B 18 14.144 12.491 -15.335 1.00 56.68 N ATOM 368 CA THR B 18 13.658 13.770 -14.829 1.00 55.55 C ATOM 369 C THR B 18 13.820 14.874 -15.865 1.00 50.34 C ATOM 370 O THR B 18 13.762 16.057 -15.515 1.00 53.50 O ATOM 371 CB THR B 18 14.368 14.159 -13.529 1.00 61.41 C ATOM 372 OG1 THR B 18 15.787 14.128 -13.730 1.00 68.25 O ATOM 373 CG2 THR B 18 13.989 13.205 -12.406 1.00 62.61 C ATOM 374 HG1 THR B 18 16.244 14.380 -12.889 1.00 0.00 H ATOM 375 H THR B 18 15.101 12.441 -15.739 1.00 0.00 H ATOM 376 N THR B 19 14.028 14.510 -17.128 1.00 46.41 N ATOM 377 CA THR B 19 14.098 15.502 -18.189 1.00 42.45 C ATOM 378 C THR B 19 12.809 16.305 -18.226 1.00 35.66 C ATOM 379 O THR B 19 11.719 15.759 -18.025 1.00 39.16 O ATOM 380 CB THR B 19 14.325 14.814 -19.538 1.00 48.16 C ATOM 381 OG1 THR B 19 15.313 13.788 -19.384 1.00 54.25 O ATOM 382 CG2 THR B 19 14.791 15.818 -20.600 1.00 52.68 C ATOM 383 HG1 THR B 19 15.462 13.341 -20.255 1.00 0.00 H ATOM 384 H THR B 19 14.142 13.502 -17.359 1.00 0.00 H ATOM 385 N ASP B 20 12.935 17.613 -18.457 1.00 33.72 N ATOM 386 CA ASP B 20 11.757 18.435 -18.680 1.00 31.93 C ATOM 387 C ASP B 20 10.877 17.790 -19.740 1.00 32.27 C ATOM 388 O ASP B 20 11.373 17.203 -20.709 1.00 35.49 O ATOM 389 CB ASP B 20 12.149 19.843 -19.139 1.00 34.62 C ATOM 390 CG ASP B 20 12.601 20.740 -18.010 1.00 47.03 C ATOM 391 OD1 ASP B 20 12.635 20.293 -16.845 1.00 40.92 O ATOM 392 OD2 ASP B 20 12.929 21.914 -18.300 1.00 51.03 O ATOM 393 H ASP B 20 13.880 18.046 -18.478 1.00 0.00 H ATOM 394 N GLY B 21 9.573 17.907 -19.561 1.00 29.94 N ATOM 395 CA GLY B 21 8.648 17.472 -20.583 1.00 31.96 C ATOM 396 C GLY B 21 7.304 17.122 -19.984 1.00 29.45 C ATOM 397 O GLY B 21 7.045 17.340 -18.800 1.00 27.92 O ATOM 398 H GLY B 21 9.209 18.316 -18.677 1.00 0.00 H ATOM 399 N VAL B 22 6.463 16.588 -20.824 1.00 28.27 N ATOM 400 CA VAL B 22 5.145 16.142 -20.425 1.00 27.85 C ATOM 401 C VAL B 22 5.196 14.627 -20.266 1.00 28.33 C ATOM 402 O VAL B 22 5.886 13.931 -21.029 1.00 29.22 O ATOM 403 CB VAL B 22 4.086 16.623 -21.440 1.00 28.72 C ATOM 404 CG1 VAL B 22 4.333 16.036 -22.839 1.00 32.81 C ATOM 405 CG2 VAL B 22 2.684 16.329 -20.956 1.00 30.93 C ATOM 406 H VAL B 22 6.749 16.478 -21.818 1.00 0.00 H ATOM 407 N TYR B 23 4.522 14.122 -19.224 1.00 27.07 N ATOM 408 CA TYR B 23 4.574 12.721 -18.816 1.00 28.40 C ATOM 409 C TYR B 23 3.167 12.179 -18.612 1.00 28.21 C ATOM 410 O TYR B 23 2.274 12.887 -18.139 1.00 30.46 O ATOM 411 CB TYR B 23 5.342 12.525 -17.483 1.00 26.63 C ATOM 412 CG TYR B 23 6.833 12.734 -17.564 1.00 27.56 C ATOM 413 CD1 TYR B 23 7.372 13.987 -17.841 1.00 26.15 C ATOM 414 CD2 TYR B 23 7.706 11.677 -17.364 1.00 32.50 C ATOM 415 CE1 TYR B 23 8.748 14.169 -17.924 1.00 28.51 C ATOM 416 CE2 TYR B 23 9.078 11.850 -17.443 1.00 35.31 C ATOM 417 CZ TYR B 23 9.593 13.100 -17.715 1.00 34.67 C ATOM 418 OH TYR B 23 10.961 13.269 -17.793 1.00 39.48 O ATOM 419 HH TYR B 23 11.164 14.217 -17.993 1.00 0.00 H ATOM 420 H TYR B 23 3.924 14.769 -18.671 1.00 0.00 H ATOM 421 N ARG B 24 2.985 10.901 -18.941 1.00 28.31 N ATOM 422 CA ARG B 24 1.763 10.199 -18.577 1.00 30.40 C ATOM 423 C ARG B 24 1.876 9.693 -17.148 1.00 29.82 C ATOM 424 O ARG B 24 2.947 9.262 -16.721 1.00 31.94 O ATOM 425 CB ARG B 24 1.518 9.014 -19.513 1.00 32.67 C ATOM 426 CG ARG B 24 1.640 9.326 -20.988 1.00 32.61 C ATOM 427 CD ARG B 24 1.554 8.054 -21.807 1.00 33.52 C ATOM 428 NE ARG B 24 1.873 8.326 -23.210 1.00 36.26 N ATOM 429 CZ ARG B 24 0.984 8.701 -24.121 1.00 39.55 C ATOM 430 NH1 ARG B 24 -0.294 8.834 -23.797 1.00 37.96 N ATOM 431 NH2 ARG B 24 1.377 8.934 -25.365 1.00 42.40 N ATOM 432 HE ARG B 24 2.862 8.218 -23.513 1.00 0.00 H ATOM 433 HH12 ARG B 24 -0.985 9.128 -24.516 1.00 0.00 H ATOM 434 HH11 ARG B 24 -0.606 8.644 -22.823 1.00 0.00 H ATOM 435 HH22 ARG B 24 0.684 9.228 -26.083 1.00 0.00 H ATOM 436 HH21 ARG B 24 2.378 8.823 -25.624 1.00 0.00 H ATOM 437 H ARG B 24 3.728 10.397 -19.466 1.00 0.00 H ATOM 438 N VAL B 25 0.764 9.738 -16.417 1.00 31.10 N ATOM 439 CA VAL B 25 0.653 9.138 -15.093 1.00 29.64 C ATOM 440 C VAL B 25 -0.125 7.837 -15.250 1.00 31.57 C ATOM 441 O VAL B 25 -1.292 7.853 -15.661 1.00 32.93 O ATOM 442 CB VAL B 25 -0.041 10.086 -14.104 1.00 31.42 C ATOM 443 CG1 VAL B 25 -0.093 9.467 -12.714 1.00 34.42 C ATOM 444 CG2 VAL B 25 0.696 11.426 -14.067 1.00 32.77 C ATOM 445 H VAL B 25 -0.066 10.225 -16.810 1.00 0.00 H ATOM 446 N MET B 26 0.534 6.715 -14.956 1.00 34.28 N ATOM 447 CA MET B 26 0.041 5.374 -15.245 1.00 36.63 C ATOM 448 C MET B 26 -0.162 4.589 -13.960 1.00 39.45 C ATOM 449 O MET B 26 0.443 4.886 -12.928 1.00 37.18 O ATOM 450 CB MET B 26 1.028 4.597 -16.127 1.00 36.85 C ATOM 451 CG MET B 26 1.480 5.318 -17.368 1.00 34.49 C ATOM 452 SD MET B 26 0.145 5.507 -18.560 1.00 37.52 S ATOM 453 CE MET B 26 -0.185 3.806 -19.007 1.00 41.03 C ATOM 454 H MET B 26 1.460 6.803 -14.490 1.00 0.00 H ATOM 455 N THR B 27 -0.986 3.546 -14.039 1.00 40.81 N ATOM 456 CA THR B 27 -1.090 2.599 -12.939 1.00 46.14 C ATOM 457 C THR B 27 -1.373 1.214 -13.495 1.00 42.43 C ATOM 458 O THR B 27 -1.976 1.067 -14.565 1.00 42.18 O ATOM 459 CB THR B 27 -2.182 2.976 -11.931 1.00 46.20 C ATOM 460 OG1 THR B 27 -2.201 2.005 -10.875 1.00 50.61 O ATOM 461 CG2 THR B 27 -3.547 3.008 -12.604 1.00 45.93 C ATOM 462 HG1 THR B 27 -2.905 2.244 -10.221 1.00 0.00 H ATOM 463 H THR B 27 -1.561 3.407 -14.895 1.00 0.00 H ATOM 464 N ARG B 28 -0.904 0.201 -12.769 1.00 42.86 N ATOM 465 CA ARG B 28 -1.236 -1.185 -13.059 1.00 49.52 C ATOM 466 C ARG B 28 -2.212 -1.764 -12.048 1.00 50.74 C ATOM 467 O ARG B 28 -2.425 -2.979 -12.036 1.00 55.18 O ATOM 468 CB ARG B 28 0.029 -2.044 -13.110 1.00 56.48 C ATOM 469 CG ARG B 28 1.099 -1.497 -14.026 1.00 62.84 C ATOM 470 CD ARG B 28 2.197 -2.512 -14.243 1.00 70.59 C ATOM 471 NE ARG B 28 2.390 -2.787 -15.662 1.00 77.69 N ATOM 472 CZ ARG B 28 3.388 -2.294 -16.387 1.00 79.96 C ATOM 473 NH1 ARG B 28 4.289 -1.502 -15.821 1.00 79.83 N ATOM 474 NH2 ARG B 28 3.487 -2.596 -17.676 1.00 80.04 N ATOM 475 HE ARG B 28 1.703 -3.408 -16.136 1.00 0.00 H ATOM 476 HH12 ARG B 28 5.071 -1.115 -16.388 1.00 0.00 H ATOM 477 HH11 ARG B 28 4.214 -1.268 -14.811 1.00 0.00 H ATOM 478 HH22 ARG B 28 4.269 -2.209 -18.242 1.00 0.00 H ATOM 479 HH21 ARG B 28 2.783 -3.219 -18.120 1.00 0.00 H ATOM 480 H ARG B 28 -0.277 0.408 -11.965 1.00 0.00 H ATOM 481 N ARG B 29 -2.809 -0.923 -11.200 1.00 48.70 N ATOM 482 CA ARG B 29 -3.745 -1.433 -10.201 1.00 55.81 C ATOM 483 C ARG B 29 -4.990 -2.024 -10.848 1.00 56.16 C ATOM 484 O ARG B 29 -5.573 -2.972 -10.313 1.00 58.76 O ATOM 485 CB ARG B 29 -4.132 -0.325 -9.221 1.00 55.59 C ATOM 486 H ARG B 29 -2.607 0.096 -11.251 1.00 0.00 H ATOM 487 N LEU B 30 -5.403 -1.495 -11.993 1.00 52.50 N ATOM 488 CA LEU B 30 -6.584 -1.982 -12.683 1.00 56.59 C ATOM 489 C LEU B 30 -6.163 -2.959 -13.784 1.00 59.40 C ATOM 490 O LEU B 30 -5.035 -3.468 -13.784 1.00 63.33 O ATOM 491 CB LEU B 30 -7.385 -0.786 -13.208 1.00 59.90 C ATOM 492 CG LEU B 30 -7.775 0.233 -12.136 1.00 61.03 C ATOM 493 CD1 LEU B 30 -8.374 1.479 -12.767 1.00 60.80 C ATOM 494 CD2 LEU B 30 -8.744 -0.391 -11.147 1.00 62.70 C ATOM 495 H LEU B 30 -4.865 -0.708 -12.408 1.00 0.00 H ATOM 496 N LEU B 31 -7.066 -3.235 -14.721 1.00 56.78 N ATOM 497 CA LEU B 31 -6.761 -4.188 -15.776 1.00 54.94 C ATOM 498 C LEU B 31 -5.764 -3.570 -16.749 1.00 55.44 C ATOM 499 O LEU B 31 -5.928 -2.420 -17.175 1.00 54.88 O ATOM 500 CB LEU B 31 -8.042 -4.606 -16.491 1.00 56.29 C ATOM 501 CG LEU B 31 -7.906 -5.696 -17.550 1.00 60.44 C ATOM 502 CD1 LEU B 31 -7.591 -7.032 -16.892 1.00 55.48 C ATOM 503 CD2 LEU B 31 -9.182 -5.795 -18.366 1.00 65.51 C ATOM 504 H LEU B 31 -7.994 -2.767 -14.699 1.00 0.00 H ATOM 505 N GLY B 32 -4.715 -4.323 -17.077 1.00 49.60 N ATOM 506 CA GLY B 32 -3.649 -3.798 -17.906 1.00 47.75 C ATOM 507 C GLY B 32 -2.976 -2.612 -17.241 1.00 52.07 C ATOM 508 O GLY B 32 -2.990 -2.457 -16.014 1.00 49.68 O ATOM 509 H GLY B 32 -4.660 -5.303 -16.733 1.00 0.00 H ATOM 510 N SER B 33 -2.370 -1.760 -18.061 1.00 50.26 N ATOM 511 CA SER B 33 -1.860 -0.476 -17.604 1.00 48.72 C ATOM 512 C SER B 33 -2.847 0.603 -18.018 1.00 46.16 C ATOM 513 O SER B 33 -3.298 0.635 -19.168 1.00 47.40 O ATOM 514 CB SER B 33 -0.470 -0.190 -18.170 1.00 55.92 C ATOM 515 OG SER B 33 0.397 -1.291 -17.953 1.00 64.14 O ATOM 516 HG SER B 33 1.290 -1.085 -18.327 1.00 0.00 H ATOM 517 H SER B 33 -2.257 -2.019 -19.062 1.00 0.00 H ATOM 518 N THR B 34 -3.200 1.465 -17.076 1.00 41.61 N ATOM 519 CA THR B 34 -4.216 2.483 -17.280 1.00 39.89 C ATOM 520 C THR B 34 -3.583 3.852 -17.099 1.00 39.36 C ATOM 521 O THR B 34 -2.863 4.080 -16.119 1.00 40.57 O ATOM 522 CB THR B 34 -5.374 2.310 -16.291 1.00 44.67 C ATOM 523 OG1 THR B 34 -5.880 0.971 -16.363 1.00 49.10 O ATOM 524 CG2 THR B 34 -6.493 3.294 -16.598 1.00 51.07 C ATOM 525 HG1 THR B 34 -5.157 0.334 -16.136 1.00 0.00 H ATOM 526 H THR B 34 -2.729 1.411 -16.150 1.00 0.00 H ATOM 527 N GLN B 35 -3.845 4.758 -18.035 1.00 37.08 N ATOM 528 CA GLN B 35 -3.398 6.141 -17.891 1.00 35.91 C ATOM 529 C GLN B 35 -4.427 6.913 -17.071 1.00 40.47 C ATOM 530 O GLN B 35 -5.565 7.114 -17.513 1.00 40.03 O ATOM 531 CB GLN B 35 -3.177 6.800 -19.247 1.00 35.32 C ATOM 532 CG GLN B 35 -2.675 8.234 -19.095 1.00 33.14 C ATOM 533 CD GLN B 35 -2.315 8.851 -20.418 1.00 32.77 C ATOM 534 OE1 GLN B 35 -1.691 8.204 -21.263 1.00 37.48 O ATOM 535 NE2 GLN B 35 -2.700 10.112 -20.610 1.00 35.29 N ATOM 536 HE22 GLN B 35 -3.224 10.615 -19.866 1.00 0.00 H ATOM 537 HE21 GLN B 35 -2.476 10.594 -21.504 1.00 0.00 H ATOM 538 H GLN B 35 -4.377 4.478 -18.884 1.00 0.00 H ATOM 539 N VAL B 36 -4.024 7.349 -15.877 1.00 35.22 N ATOM 540 CA VAL B 36 -4.932 8.088 -15.002 1.00 36.37 C ATOM 541 C VAL B 36 -4.786 9.596 -15.166 1.00 35.75 C ATOM 542 O VAL B 36 -5.678 10.347 -14.744 1.00 39.31 O ATOM 543 CB VAL B 36 -4.732 7.699 -13.526 1.00 41.81 C ATOM 544 CG1 VAL B 36 -5.112 6.239 -13.302 1.00 45.10 C ATOM 545 CG2 VAL B 36 -3.307 7.935 -13.094 1.00 42.26 C ATOM 546 H VAL B 36 -3.050 7.161 -15.564 1.00 0.00 H ATOM 547 N GLY B 37 -3.692 10.065 -15.749 1.00 34.21 N ATOM 548 CA GLY B 37 -3.541 11.485 -15.973 1.00 30.67 C ATOM 549 C GLY B 37 -2.227 11.806 -16.642 1.00 31.23 C ATOM 550 O GLY B 37 -1.589 10.946 -17.255 1.00 30.71 O ATOM 551 H GLY B 37 -2.941 9.410 -16.046 1.00 0.00 H ATOM 552 N VAL B 38 -1.831 13.072 -16.499 1.00 29.35 N ATOM 553 CA VAL B 38 -0.702 13.658 -17.211 1.00 29.37 C ATOM 554 C VAL B 38 -0.071 14.660 -16.262 1.00 27.44 C ATOM 555 O VAL B 38 -0.738 15.188 -15.375 1.00 27.63 O ATOM 556 CB VAL B 38 -1.151 14.364 -18.517 1.00 28.29 C ATOM 557 CG1 VAL B 38 0.018 14.997 -19.243 1.00 31.28 C ATOM 558 CG2 VAL B 38 -1.866 13.393 -19.456 1.00 30.34 C ATOM 559 H VAL B 38 -2.360 13.678 -15.839 1.00 0.00 H ATOM 560 N GLY B 39 1.218 14.930 -16.446 1.00 26.54 N ATOM 561 CA GLY B 39 1.827 16.018 -15.712 1.00 26.20 C ATOM 562 C GLY B 39 3.037 16.593 -16.416 1.00 24.15 C ATOM 563 O GLY B 39 3.443 16.132 -17.479 1.00 25.09 O ATOM 564 H GLY B 39 1.783 14.364 -17.111 1.00 0.00 H ATOM 565 N VAL B 40 3.622 17.611 -15.796 1.00 24.10 N ATOM 566 CA VAL B 40 4.694 18.420 -16.369 1.00 23.69 C ATOM 567 C VAL B 40 5.914 18.316 -15.469 1.00 23.66 C ATOM 568 O VAL B 40 5.834 18.605 -14.269 1.00 24.50 O ATOM 569 CB VAL B 40 4.272 19.896 -16.495 1.00 27.38 C ATOM 570 CG1 VAL B 40 5.459 20.777 -16.881 1.00 29.21 C ATOM 571 CG2 VAL B 40 3.124 20.041 -17.459 1.00 30.86 C ATOM 572 H VAL B 40 3.295 17.848 -14.838 1.00 0.00 H ATOM 573 N MET B 41 7.046 17.956 -16.047 1.00 25.31 N ATOM 574 CA MET B 41 8.323 17.987 -15.355 1.00 26.01 C ATOM 575 C MET B 41 9.032 19.271 -15.756 1.00 25.12 C ATOM 576 O MET B 41 9.234 19.525 -16.949 1.00 26.26 O ATOM 577 CB MET B 41 9.153 16.754 -15.710 1.00 27.19 C ATOM 578 CG MET B 41 10.365 16.535 -14.846 1.00 28.41 C ATOM 579 SD MET B 41 9.894 15.854 -13.226 1.00 30.89 S ATOM 580 CE MET B 41 9.582 14.148 -13.672 1.00 37.79 C ATOM 581 H MET B 41 7.022 17.638 -17.037 1.00 0.00 H ATOM 582 N GLN B 42 9.347 20.107 -14.777 1.00 24.74 N ATOM 583 CA GLN B 42 10.082 21.332 -15.034 1.00 25.56 C ATOM 584 C GLN B 42 10.956 21.625 -13.834 1.00 28.25 C ATOM 585 O GLN B 42 10.468 21.607 -12.696 1.00 27.28 O ATOM 586 CB GLN B 42 9.150 22.515 -15.300 1.00 28.10 C ATOM 587 CG GLN B 42 9.938 23.758 -15.679 1.00 35.44 C ATOM 588 CD GLN B 42 9.070 24.910 -16.133 1.00 37.38 C ATOM 589 OE1 GLN B 42 9.204 26.031 -15.632 1.00 45.97 O ATOM 590 NE2 GLN B 42 8.186 24.649 -17.082 1.00 31.86 N ATOM 591 HE22 GLN B 42 8.111 23.688 -17.473 1.00 0.00 H ATOM 592 HE21 GLN B 42 7.566 25.405 -17.437 1.00 0.00 H ATOM 593 H GLN B 42 9.061 19.880 -13.803 1.00 0.00 H ATOM 594 N GLU B 43 12.240 21.884 -14.088 1.00 30.54 N ATOM 595 CA GLU B 43 13.206 22.241 -13.043 1.00 31.72 C ATOM 596 C GLU B 43 13.244 21.191 -11.933 1.00 33.10 C ATOM 597 O GLU B 43 13.381 21.511 -10.751 1.00 35.24 O ATOM 598 CB GLU B 43 12.913 23.633 -12.482 1.00 32.24 C ATOM 599 CG GLU B 43 13.002 24.731 -13.541 1.00 38.55 C ATOM 600 CD GLU B 43 12.465 26.059 -13.051 1.00 49.96 C ATOM 601 OE1 GLU B 43 13.022 26.608 -12.075 1.00 55.77 O ATOM 602 OE2 GLU B 43 11.478 26.548 -13.639 1.00 53.81 O ATOM 603 H GLU B 43 12.571 21.830 -15.072 1.00 0.00 H ATOM 604 N GLY B 44 13.136 19.925 -12.328 1.00 33.23 N ATOM 605 CA GLY B 44 13.250 18.818 -11.406 1.00 33.26 C ATOM 606 C GLY B 44 12.029 18.579 -10.556 1.00 30.61 C ATOM 607 O GLY B 44 12.105 17.785 -9.611 1.00 34.02 O ATOM 608 H GLY B 44 12.964 19.725 -13.334 1.00 0.00 H ATOM 609 N VAL B 45 10.923 19.254 -10.848 1.00 25.62 N ATOM 610 CA VAL B 45 9.677 19.152 -10.090 1.00 23.90 C ATOM 611 C VAL B 45 8.590 18.610 -11.008 1.00 24.05 C ATOM 612 O VAL B 45 8.460 19.048 -12.161 1.00 24.68 O ATOM 613 CB VAL B 45 9.277 20.515 -9.503 1.00 22.70 C ATOM 614 CG1 VAL B 45 7.874 20.455 -8.872 1.00 23.94 C ATOM 615 CG2 VAL B 45 10.304 20.931 -8.445 1.00 25.78 C ATOM 616 H VAL B 45 10.945 19.895 -11.667 1.00 0.00 H ATOM 617 N PHE B 46 7.831 17.629 -10.523 1.00 23.19 N ATOM 618 CA PHE B 46 6.705 17.096 -11.281 1.00 23.16 C ATOM 619 C PHE B 46 5.412 17.758 -10.828 1.00 23.47 C ATOM 620 O PHE B 46 5.118 17.811 -9.631 1.00 23.07 O ATOM 621 CB PHE B 46 6.593 15.580 -11.149 1.00 23.71 C ATOM 622 CG PHE B 46 5.629 14.975 -12.122 1.00 24.10 C ATOM 623 CD1 PHE B 46 5.887 15.048 -13.483 1.00 24.30 C ATOM 624 CD2 PHE B 46 4.472 14.361 -11.696 1.00 27.25 C ATOM 625 CE1 PHE B 46 5.001 14.499 -14.403 1.00 27.26 C ATOM 626 CE2 PHE B 46 3.584 13.793 -12.608 1.00 27.91 C ATOM 627 CZ PHE B 46 3.846 13.875 -13.965 1.00 28.16 C ATOM 628 H PHE B 46 8.046 17.235 -9.585 1.00 0.00 H ATOM 629 N HIS B 47 4.643 18.249 -11.781 1.00 21.01 N ATOM 630 CA HIS B 47 3.437 19.027 -11.545 1.00 20.38 C ATOM 631 C HIS B 47 2.242 18.300 -12.134 1.00 22.67 C ATOM 632 O HIS B 47 2.257 17.949 -13.320 1.00 21.29 O ATOM 633 CB HIS B 47 3.525 20.408 -12.199 1.00 19.88 C ATOM 634 CG HIS B 47 4.749 21.190 -11.842 1.00 22.16 C ATOM 635 ND1 HIS B 47 5.995 20.935 -12.380 1.00 21.97 N ATOM 636 CD2 HIS B 47 4.902 22.265 -11.030 1.00 20.96 C ATOM 637 CE1 HIS B 47 6.864 21.809 -11.899 1.00 24.91 C ATOM 638 NE2 HIS B 47 6.223 22.631 -11.082 1.00 22.35 N ATOM 639 H HIS B 47 4.918 18.067 -12.768 1.00 0.00 H ATOM 640 N THR B 48 1.201 18.073 -11.338 1.00 20.07 N ATOM 641 CA THR B 48 -0.024 17.520 -11.909 1.00 22.16 C ATOM 642 C THR B 48 -1.216 18.037 -11.112 1.00 23.21 C ATOM 643 O THR B 48 -1.070 18.909 -10.245 1.00 21.56 O ATOM 644 CB THR B 48 0.049 15.986 -11.984 1.00 24.03 C ATOM 645 OG1 THR B 48 -1.103 15.480 -12.674 1.00 26.09 O ATOM 646 CG2 THR B 48 0.123 15.358 -10.582 1.00 25.96 C ATOM 647 HG1 THR B 48 -1.127 15.853 -13.591 1.00 0.00 H ATOM 648 H THR B 48 1.259 18.287 -10.322 1.00 0.00 H ATOM 649 N MET B 49 -2.415 17.561 -11.453 1.00 23.18 N ATOM 650 CA MET B 49 -3.605 17.952 -10.705 1.00 23.72 C ATOM 651 C MET B 49 -3.800 17.002 -9.531 1.00 23.75 C ATOM 652 O MET B 49 -3.549 15.795 -9.640 1.00 26.22 O ATOM 653 CB MET B 49 -4.828 17.995 -11.629 1.00 25.31 C ATOM 654 CG MET B 49 -4.575 18.909 -12.874 1.00 25.20 C ATOM 655 SD MET B 49 -6.094 19.619 -13.520 1.00 30.69 S ATOM 656 CE MET B 49 -6.305 20.961 -12.349 1.00 32.75 C ATOM 657 H MET B 49 -2.502 16.907 -12.257 1.00 0.00 H ATOM 658 N TRP B 50 -4.197 17.567 -8.382 1.00 21.55 N ATOM 659 CA TRP B 50 -4.372 16.763 -7.176 1.00 25.98 C ATOM 660 C TRP B 50 -5.215 15.525 -7.444 1.00 24.91 C ATOM 661 O TRP B 50 -4.865 14.415 -7.028 1.00 27.64 O ATOM 662 CB TRP B 50 -5.016 17.599 -6.065 1.00 24.31 C ATOM 663 CG TRP B 50 -5.139 16.833 -4.757 1.00 24.40 C ATOM 664 CD1 TRP B 50 -6.125 15.952 -4.402 1.00 25.22 C ATOM 665 CD2 TRP B 50 -4.219 16.866 -3.658 1.00 27.96 C ATOM 666 NE1 TRP B 50 -5.879 15.445 -3.140 1.00 27.70 N ATOM 667 CE2 TRP B 50 -4.715 15.992 -2.666 1.00 28.31 C ATOM 668 CE3 TRP B 50 -3.029 17.559 -3.413 1.00 28.58 C ATOM 669 CZ2 TRP B 50 -4.062 15.794 -1.453 1.00 31.25 C ATOM 670 CZ3 TRP B 50 -2.380 17.362 -2.197 1.00 29.46 C ATOM 671 CH2 TRP B 50 -2.898 16.484 -1.236 1.00 31.99 C ATOM 672 HE1 TRP B 50 -6.478 14.762 -2.634 1.00 0.00 H ATOM 673 H TRP B 50 -4.382 18.590 -8.349 1.00 0.00 H ATOM 674 N HIS B 51 -6.337 15.699 -8.145 1.00 25.73 N ATOM 675 CA HIS B 51 -7.281 14.596 -8.292 1.00 29.41 C ATOM 676 C HIS B 51 -6.729 13.445 -9.135 1.00 30.66 C ATOM 677 O HIS B 51 -7.292 12.347 -9.092 1.00 34.26 O ATOM 678 CB HIS B 51 -8.608 15.099 -8.872 1.00 27.56 C ATOM 679 CG HIS B 51 -8.594 15.321 -10.353 1.00 28.29 C ATOM 680 ND1 HIS B 51 -8.363 16.554 -10.925 1.00 27.40 N ATOM 681 CD2 HIS B 51 -8.811 14.463 -11.374 1.00 30.57 C ATOM 682 CE1 HIS B 51 -8.444 16.443 -12.245 1.00 28.70 C ATOM 683 NE2 HIS B 51 -8.708 15.183 -12.540 1.00 32.11 N ATOM 684 H HIS B 51 -6.538 16.619 -8.586 1.00 0.00 H ATOM 685 N VAL B 52 -5.639 13.667 -9.879 1.00 28.67 N ATOM 686 CA VAL B 52 -4.996 12.581 -10.621 1.00 27.56 C ATOM 687 C VAL B 52 -4.321 11.593 -9.670 1.00 30.07 C ATOM 688 O VAL B 52 -4.465 10.373 -9.816 1.00 33.11 O ATOM 689 CB VAL B 52 -3.986 13.160 -11.627 1.00 29.27 C ATOM 690 CG1 VAL B 52 -3.160 12.035 -12.258 1.00 32.28 C ATOM 691 CG2 VAL B 52 -4.711 13.978 -12.690 1.00 28.93 C ATOM 692 H VAL B 52 -5.242 14.627 -9.931 1.00 0.00 H ATOM 693 N THR B 53 -3.566 12.099 -8.690 1.00 29.56 N ATOM 694 CA THR B 53 -2.791 11.242 -7.796 1.00 28.43 C ATOM 695 C THR B 53 -3.338 11.163 -6.382 1.00 32.91 C ATOM 696 O THR B 53 -2.911 10.285 -5.615 1.00 34.51 O ATOM 697 CB THR B 53 -1.340 11.731 -7.712 1.00 28.33 C ATOM 698 OG1 THR B 53 -1.311 13.021 -7.084 1.00 28.71 O ATOM 699 CG2 THR B 53 -0.730 11.847 -9.112 1.00 30.67 C ATOM 700 HG1 THR B 53 -0.375 13.339 -7.029 1.00 0.00 H ATOM 701 H THR B 53 -3.529 13.130 -8.560 1.00 0.00 H ATOM 702 N LYS B 54 -4.236 12.070 -6.004 1.00 32.32 N ATOM 703 CA LYS B 54 -4.698 12.196 -4.624 1.00 32.85 C ATOM 704 C LYS B 54 -3.531 12.395 -3.659 1.00 35.61 C ATOM 705 O LYS B 54 -3.626 12.093 -2.461 1.00 35.53 O ATOM 706 CB LYS B 54 -5.554 10.994 -4.231 1.00 37.40 C ATOM 707 CG LYS B 54 -7.031 11.184 -4.524 1.00 47.78 C ATOM 708 CD LYS B 54 -7.350 11.089 -5.991 1.00 51.50 C ATOM 709 CE LYS B 54 -8.801 11.463 -6.255 1.00 55.80 C ATOM 710 NZ LYS B 54 -9.217 11.130 -7.642 1.00 53.87 N ATOM 711 HZ1 LYS B 54 -8.619 11.649 -8.316 1.00 0.00 H ATOM 712 HZ2 LYS B 54 -9.111 10.107 -7.798 1.00 0.00 H ATOM 713 HZ3 LYS B 54 -10.212 11.401 -7.779 1.00 0.00 H ATOM 714 H LYS B 54 -4.625 12.716 -6.721 1.00 0.00 H ATOM 715 N GLY B 55 -2.428 12.933 -4.171 1.00 33.40 N ATOM 716 CA GLY B 55 -1.246 13.223 -3.385 1.00 33.18 C ATOM 717 C GLY B 55 -0.367 12.039 -3.056 1.00 38.07 C ATOM 718 O GLY B 55 0.514 12.167 -2.197 1.00 44.04 O ATOM 719 H GLY B 55 -2.413 13.157 -5.187 1.00 0.00 H ATOM 720 N ALA B 56 -0.570 10.899 -3.708 1.00 33.04 N ATOM 721 CA ALA B 56 0.222 9.706 -3.453 1.00 39.27 C ATOM 722 C ALA B 56 1.601 9.805 -4.096 1.00 38.51 C ATOM 723 O ALA B 56 1.796 10.494 -5.106 1.00 35.27 O ATOM 724 CB ALA B 56 -0.499 8.467 -3.980 1.00 43.44 C ATOM 725 H ALA B 56 -1.322 10.858 -4.426 1.00 0.00 H ATOM 726 N ALA B 57 2.559 9.091 -3.507 1.00 40.56 N ATOM 727 CA ALA B 57 3.896 9.006 -4.076 1.00 41.55 C ATOM 728 C ALA B 57 3.849 8.356 -5.456 1.00 42.04 C ATOM 729 O ALA B 57 2.954 7.568 -5.765 1.00 45.85 O ATOM 730 CB ALA B 57 4.818 8.210 -3.150 1.00 43.65 C ATOM 731 H ALA B 57 2.348 8.585 -2.624 1.00 0.00 H ATOM 732 N LEU B 58 4.828 8.701 -6.294 1.00 38.49 N ATOM 733 CA LEU B 58 4.914 8.216 -7.663 1.00 39.71 C ATOM 734 C LEU B 58 6.238 7.500 -7.890 1.00 42.97 C ATOM 735 O LEU B 58 7.226 7.738 -7.192 1.00 46.67 O ATOM 736 CB LEU B 58 4.789 9.371 -8.674 1.00 34.48 C ATOM 737 CG LEU B 58 3.499 10.194 -8.679 1.00 34.15 C ATOM 738 CD1 LEU B 58 3.623 11.400 -9.611 1.00 30.19 C ATOM 739 CD2 LEU B 58 2.333 9.328 -9.103 1.00 42.21 C ATOM 740 H LEU B 58 5.566 9.349 -5.952 1.00 0.00 H ATOM 741 N ARG B 59 6.259 6.626 -8.890 1.00 43.15 N ATOM 742 CA ARG B 59 7.496 5.995 -9.321 1.00 43.84 C ATOM 743 C ARG B 59 7.942 6.594 -10.649 1.00 44.67 C ATOM 744 O ARG B 59 7.122 6.861 -11.534 1.00 42.49 O ATOM 745 CB ARG B 59 7.330 4.483 -9.462 1.00 50.22 C ATOM 746 CG ARG B 59 8.645 3.731 -9.562 1.00 61.10 C ATOM 747 CD ARG B 59 8.523 2.454 -10.346 1.00 67.78 C ATOM 748 NE ARG B 59 7.242 1.778 -10.140 1.00 70.47 N ATOM 749 CZ ARG B 59 6.480 1.307 -11.118 1.00 73.41 C ATOM 750 NH1 ARG B 59 6.870 1.434 -12.382 1.00 71.07 N ATOM 751 NH2 ARG B 59 5.342 0.704 -10.822 1.00 75.60 N ATOM 752 HE ARG B 59 6.907 1.659 -9.163 1.00 0.00 H ATOM 753 HH12 ARG B 59 6.273 1.065 -13.150 1.00 0.00 H ATOM 754 HH11 ARG B 59 7.772 1.902 -12.603 1.00 0.00 H ATOM 755 HH22 ARG B 59 4.738 0.331 -11.582 1.00 0.00 H ATOM 756 HH21 ARG B 59 5.051 0.602 -9.829 1.00 0.00 H ATOM 757 H ARG B 59 5.371 6.388 -9.376 1.00 0.00 H ATOM 758 N SER B 60 9.248 6.797 -10.784 1.00 48.60 N ATOM 759 CA SER B 60 9.849 7.254 -12.035 1.00 53.08 C ATOM 760 C SER B 60 11.005 6.309 -12.338 1.00 54.80 C ATOM 761 O SER B 60 12.077 6.425 -11.738 1.00 60.55 O ATOM 762 CB SER B 60 10.318 8.699 -11.930 1.00 57.89 C ATOM 763 OG SER B 60 10.856 9.143 -13.160 1.00 61.41 O ATOM 764 HG SER B 60 11.154 10.083 -13.069 1.00 0.00 H ATOM 765 H SER B 60 9.867 6.624 -9.967 1.00 0.00 H ATOM 766 N GLY B 61 10.782 5.376 -13.252 1.00 54.60 N ATOM 767 CA GLY B 61 11.792 4.368 -13.517 1.00 55.83 C ATOM 768 C GLY B 61 12.071 3.574 -12.256 1.00 62.58 C ATOM 769 O GLY B 61 11.174 2.962 -11.669 1.00 64.37 O ATOM 770 H GLY B 61 9.885 5.366 -13.778 1.00 0.00 H ATOM 771 N GLU B 62 13.325 3.584 -11.812 1.00 63.26 N ATOM 772 CA GLU B 62 13.691 2.929 -10.565 1.00 63.18 C ATOM 773 C GLU B 62 13.591 3.857 -9.361 1.00 63.33 C ATOM 774 O GLU B 62 13.685 3.383 -8.223 1.00 69.12 O ATOM 775 CB GLU B 62 15.113 2.361 -10.661 1.00 64.81 C ATOM 776 H GLU B 62 14.058 4.070 -12.367 1.00 0.00 H ATOM 777 N GLY B 63 13.396 5.159 -9.583 1.00 58.19 N ATOM 778 CA GLY B 63 13.314 6.107 -8.493 1.00 58.05 C ATOM 779 C GLY B 63 11.889 6.362 -8.023 1.00 57.39 C ATOM 780 O GLY B 63 10.910 5.880 -8.591 1.00 59.47 O ATOM 781 H GLY B 63 13.301 5.499 -10.561 1.00 0.00 H ATOM 782 N ARG B 64 11.787 7.146 -6.956 1.00 50.42 N ATOM 783 CA ARG B 64 10.516 7.452 -6.318 1.00 48.37 C ATOM 784 C ARG B 64 10.382 8.959 -6.186 1.00 44.52 C ATOM 785 O ARG B 64 11.330 9.630 -5.768 1.00 50.32 O ATOM 786 CB ARG B 64 10.432 6.784 -4.943 1.00 51.46 C ATOM 787 CG ARG B 64 9.253 7.201 -4.093 1.00 53.19 C ATOM 788 CD ARG B 64 9.472 6.736 -2.654 1.00 56.20 C ATOM 789 NE ARG B 64 8.327 7.024 -1.797 1.00 56.76 N ATOM 790 CZ ARG B 64 7.555 6.092 -1.248 1.00 64.31 C ATOM 791 NH1 ARG B 64 7.812 4.806 -1.456 1.00 64.81 N ATOM 792 NH2 ARG B 64 6.531 6.446 -0.481 1.00 65.45 N ATOM 793 HE ARG B 64 8.101 8.021 -1.604 1.00 0.00 H ATOM 794 HH12 ARG B 64 7.206 4.078 -1.025 1.00 0.00 H ATOM 795 HH11 ARG B 64 8.619 4.526 -2.050 1.00 0.00 H ATOM 796 HH22 ARG B 64 5.927 5.717 -0.051 1.00 0.00 H ATOM 797 HH21 ARG B 64 6.333 7.453 -0.310 1.00 0.00 H ATOM 798 H ARG B 64 12.655 7.560 -6.559 1.00 0.00 H ATOM 799 N LEU B 65 9.214 9.487 -6.542 1.00 39.08 N ATOM 800 CA LEU B 65 8.910 10.909 -6.416 1.00 38.29 C ATOM 801 C LEU B 65 7.981 11.104 -5.229 1.00 34.41 C ATOM 802 O LEU B 65 6.890 10.527 -5.193 1.00 38.54 O ATOM 803 CB LEU B 65 8.255 11.458 -7.681 1.00 41.30 C ATOM 804 CG LEU B 65 8.950 11.179 -9.007 1.00 43.86 C ATOM 805 CD1 LEU B 65 8.255 11.961 -10.114 1.00 41.28 C ATOM 806 CD2 LEU B 65 10.418 11.537 -8.915 1.00 47.75 C ATOM 807 H LEU B 65 8.483 8.857 -6.928 1.00 0.00 H ATOM 808 N ASP B 66 8.402 11.907 -4.286 1.00 37.02 N ATOM 809 CA ASP B 66 7.527 12.089 -3.133 1.00 35.93 C ATOM 810 C ASP B 66 6.772 13.409 -3.239 1.00 31.43 C ATOM 811 O ASP B 66 7.300 14.393 -3.777 1.00 29.16 O ATOM 812 CB ASP B 66 8.328 12.069 -1.833 1.00 43.37 C ATOM 813 CG ASP B 66 8.837 10.679 -1.482 1.00 54.18 C ATOM 814 OD1 ASP B 66 8.164 9.683 -1.831 1.00 53.63 O ATOM 815 OD2 ASP B 66 9.916 10.586 -0.862 1.00 59.36 O ATOM 816 H ASP B 66 9.319 12.393 -4.355 1.00 0.00 H ATOM 817 N PRO B 67 5.530 13.481 -2.770 1.00 28.60 N ATOM 818 CA PRO B 67 4.814 14.754 -2.840 1.00 27.19 C ATOM 819 C PRO B 67 5.511 15.792 -1.981 1.00 28.88 C ATOM 820 O PRO B 67 6.095 15.481 -0.938 1.00 30.28 O ATOM 821 CB PRO B 67 3.421 14.418 -2.297 1.00 30.93 C ATOM 822 CG PRO B 67 3.622 13.195 -1.470 1.00 34.76 C ATOM 823 CD PRO B 67 4.716 12.417 -2.158 1.00 37.08 C ATOM 824 N TYR B 68 5.430 17.030 -2.429 1.00 23.54 N ATOM 825 CA TYR B 68 6.070 18.159 -1.773 1.00 22.69 C ATOM 826 C TYR B 68 5.086 19.241 -1.366 1.00 22.40 C ATOM 827 O TYR B 68 5.171 19.764 -0.248 1.00 24.69 O ATOM 828 CB TYR B 68 7.149 18.756 -2.704 1.00 24.18 C ATOM 829 CG TYR B 68 7.941 19.888 -2.078 1.00 21.62 C ATOM 830 CD1 TYR B 68 9.210 19.669 -1.552 1.00 22.77 C ATOM 831 CD2 TYR B 68 7.415 21.187 -2.024 1.00 24.41 C ATOM 832 CE1 TYR B 68 9.934 20.701 -1.002 1.00 23.83 C ATOM 833 CE2 TYR B 68 8.124 22.221 -1.456 1.00 26.24 C ATOM 834 CZ TYR B 68 9.383 21.976 -0.951 1.00 25.46 C ATOM 835 OH TYR B 68 10.097 23.010 -0.398 1.00 27.74 O ATOM 836 HH TYR B 68 10.974 22.673 -0.084 1.00 0.00 H ATOM 837 H TYR B 68 4.881 17.207 -3.294 1.00 0.00 H ATOM 838 N TRP B 69 4.129 19.563 -2.215 1.00 22.53 N ATOM 839 CA TRP B 69 3.152 20.602 -1.944 1.00 23.01 C ATOM 840 C TRP B 69 1.861 20.200 -2.628 1.00 23.69 C ATOM 841 O TRP B 69 1.895 19.642 -3.724 1.00 23.01 O ATOM 842 CB TRP B 69 3.617 21.973 -2.458 1.00 23.29 C ATOM 843 CG TRP B 69 2.482 22.931 -2.468 1.00 23.61 C ATOM 844 CD1 TRP B 69 2.000 23.640 -1.398 1.00 24.67 C ATOM 845 CD2 TRP B 69 1.596 23.198 -3.558 1.00 19.87 C ATOM 846 NE1 TRP B 69 0.888 24.357 -1.770 1.00 23.97 N ATOM 847 CE2 TRP B 69 0.631 24.116 -3.096 1.00 22.18 C ATOM 848 CE3 TRP B 69 1.543 22.776 -4.882 1.00 22.56 C ATOM 849 CZ2 TRP B 69 -0.393 24.596 -3.904 1.00 24.88 C ATOM 850 CZ3 TRP B 69 0.534 23.263 -5.690 1.00 26.83 C ATOM 851 CH2 TRP B 69 -0.411 24.171 -5.205 1.00 24.59 C ATOM 852 HE1 TRP B 69 0.333 24.980 -1.149 1.00 0.00 H ATOM 853 H TRP B 69 4.072 19.050 -3.118 1.00 0.00 H ATOM 854 N GLY B 70 0.722 20.497 -2.027 1.00 22.15 N ATOM 855 CA GLY B 70 -0.522 20.273 -2.746 1.00 24.78 C ATOM 856 C GLY B 70 -1.673 20.971 -2.060 1.00 22.49 C ATOM 857 O GLY B 70 -1.591 21.333 -0.885 1.00 21.85 O ATOM 858 H GLY B 70 0.716 20.882 -1.061 1.00 0.00 H ATOM 859 N ASP B 71 -2.767 21.114 -2.801 1.00 21.43 N ATOM 860 CA ASP B 71 -3.939 21.799 -2.274 1.00 23.07 C ATOM 861 C ASP B 71 -5.151 21.304 -3.034 1.00 22.71 C ATOM 862 O ASP B 71 -5.212 21.436 -4.268 1.00 22.17 O ATOM 863 CB ASP B 71 -3.778 23.311 -2.372 1.00 23.66 C ATOM 864 CG ASP B 71 -4.915 24.068 -1.703 1.00 36.36 C ATOM 865 OD1 ASP B 71 -4.690 24.598 -0.581 1.00 40.91 O ATOM 866 OD2 ASP B 71 -6.008 24.180 -2.274 1.00 33.17 O ATOM 867 H ASP B 71 -2.786 20.732 -3.768 1.00 0.00 H ATOM 868 N VAL B 72 -6.081 20.678 -2.322 1.00 24.47 N ATOM 869 CA VAL B 72 -7.279 20.114 -2.945 1.00 24.74 C ATOM 870 C VAL B 72 -8.126 21.195 -3.608 1.00 23.72 C ATOM 871 O VAL B 72 -8.715 20.965 -4.676 1.00 26.23 O ATOM 872 CB VAL B 72 -8.073 19.346 -1.875 1.00 27.10 C ATOM 873 CG1 VAL B 72 -9.558 19.271 -2.211 1.00 28.38 C ATOM 874 CG2 VAL B 72 -7.459 17.976 -1.668 1.00 27.61 C ATOM 875 H VAL B 72 -5.954 20.586 -1.294 1.00 0.00 H ATOM 876 N LYS B 73 -8.227 22.383 -2.992 1.00 26.12 N ATOM 877 CA LYS B 73 -9.138 23.383 -3.556 1.00 27.93 C ATOM 878 C LYS B 73 -8.607 23.918 -4.880 1.00 26.30 C ATOM 879 O LYS B 73 -9.369 24.067 -5.851 1.00 30.44 O ATOM 880 CB LYS B 73 -9.371 24.530 -2.578 1.00 28.36 C ATOM 881 CG LYS B 73 -10.457 25.479 -3.081 1.00 31.81 C ATOM 882 CD LYS B 73 -10.800 26.541 -2.073 1.00 37.70 C ATOM 883 CE LYS B 73 -11.733 27.564 -2.688 1.00 43.62 C ATOM 884 NZ LYS B 73 -12.126 28.591 -1.699 1.00 45.81 N ATOM 885 HZ1 LYS B 73 -12.613 28.134 -0.901 1.00 0.00 H ATOM 886 HZ2 LYS B 73 -11.276 29.081 -1.354 1.00 0.00 H ATOM 887 HZ3 LYS B 73 -12.765 29.277 -2.149 1.00 0.00 H ATOM 888 H LYS B 73 -7.673 22.589 -2.136 1.00 0.00 H ATOM 889 N GLN B 74 -7.296 24.174 -4.954 1.00 24.61 N ATOM 890 CA GLN B 74 -6.661 24.537 -6.224 1.00 24.16 C ATOM 891 C GLN B 74 -6.589 23.354 -7.181 1.00 24.48 C ATOM 892 O GLN B 74 -6.443 23.538 -8.412 1.00 23.94 O ATOM 893 CB GLN B 74 -5.242 25.031 -5.962 1.00 24.29 C ATOM 894 CG GLN B 74 -5.159 26.297 -5.127 1.00 29.47 C ATOM 895 CD GLN B 74 -3.727 26.731 -4.866 1.00 36.07 C ATOM 896 OE1 GLN B 74 -3.342 26.989 -3.716 1.00 40.59 O ATOM 897 NE2 GLN B 74 -2.934 26.834 -5.929 1.00 36.85 N ATOM 898 HE22 GLN B 74 -3.301 26.607 -6.875 1.00 0.00 H ATOM 899 HE21 GLN B 74 -1.947 27.142 -5.814 1.00 0.00 H ATOM 900 H GLN B 74 -6.716 24.114 -4.093 1.00 0.00 H ATOM 901 N ASP B 75 -6.692 22.146 -6.638 1.00 23.52 N ATOM 902 CA ASP B 75 -6.593 20.862 -7.347 1.00 21.64 C ATOM 903 C ASP B 75 -5.229 20.708 -8.025 1.00 23.69 C ATOM 904 O ASP B 75 -5.127 20.277 -9.181 1.00 22.23 O ATOM 905 CB ASP B 75 -7.753 20.677 -8.356 1.00 24.59 C ATOM 906 CG ASP B 75 -7.862 19.256 -8.895 1.00 30.05 C ATOM 907 OD1 ASP B 75 -8.333 19.110 -10.049 1.00 29.11 O ATOM 908 OD2 ASP B 75 -7.497 18.290 -8.183 1.00 27.69 O ATOM 909 H ASP B 75 -6.859 22.105 -5.612 1.00 0.00 H ATOM 910 N LEU B 76 -4.158 21.024 -7.289 1.00 21.22 N ATOM 911 CA LEU B 76 -2.791 20.939 -7.795 1.00 20.63 C ATOM 912 C LEU B 76 -1.898 20.230 -6.788 1.00 20.60 C ATOM 913 O LEU B 76 -2.136 20.273 -5.575 1.00 19.99 O ATOM 914 CB LEU B 76 -2.204 22.311 -8.097 1.00 22.84 C ATOM 915 CG LEU B 76 -2.895 23.083 -9.215 1.00 20.54 C ATOM 916 CD1 LEU B 76 -2.249 24.450 -9.328 1.00 24.21 C ATOM 917 CD2 LEU B 76 -2.762 22.325 -10.550 1.00 22.88 C ATOM 918 H LEU B 76 -4.306 21.345 -6.311 1.00 0.00 H ATOM 919 N VAL B 77 -0.823 19.637 -7.297 1.00 21.55 N ATOM 920 CA VAL B 77 0.177 18.950 -6.482 1.00 20.72 C ATOM 921 C VAL B 77 1.522 19.023 -7.193 1.00 19.31 C ATOM 922 O VAL B 77 1.595 18.946 -8.427 1.00 19.71 O ATOM 923 CB VAL B 77 -0.244 17.494 -6.158 1.00 21.11 C ATOM 924 CG1 VAL B 77 -0.402 16.649 -7.433 1.00 22.37 C ATOM 925 CG2 VAL B 77 0.754 16.842 -5.200 1.00 25.18 C ATOM 926 H VAL B 77 -0.686 19.663 -8.328 1.00 0.00 H ATOM 927 N SER B 78 2.591 19.178 -6.426 1.00 21.08 N ATOM 928 CA SER B 78 3.942 19.095 -6.947 1.00 19.48 C ATOM 929 C SER B 78 4.730 18.042 -6.179 1.00 23.41 C ATOM 930 O SER B 78 4.491 17.792 -4.987 1.00 22.64 O ATOM 931 CB SER B 78 4.648 20.459 -6.921 1.00 19.15 C ATOM 932 OG SER B 78 4.827 20.883 -5.564 1.00 22.66 O ATOM 933 HG SER B 78 5.379 20.217 -5.082 1.00 0.00 H ATOM 934 H SER B 78 2.456 19.366 -5.412 1.00 0.00 H ATOM 935 N TYR B 79 5.698 17.449 -6.871 1.00 23.10 N ATOM 936 CA TYR B 79 6.568 16.397 -6.368 1.00 23.33 C ATOM 937 C TYR B 79 8.016 16.846 -6.484 1.00 27.85 C ATOM 938 O TYR B 79 8.404 17.445 -7.497 1.00 25.23 O ATOM 939 CB TYR B 79 6.388 15.092 -7.178 1.00 23.25 C ATOM 940 CG TYR B 79 5.041 14.461 -6.977 1.00 25.37 C ATOM 941 CD1 TYR B 79 3.910 14.961 -7.607 1.00 23.93 C ATOM 942 CD2 TYR B 79 4.893 13.383 -6.111 1.00 26.59 C ATOM 943 CE1 TYR B 79 2.664 14.391 -7.397 1.00 27.30 C ATOM 944 CE2 TYR B 79 3.661 12.811 -5.898 1.00 26.70 C ATOM 945 CZ TYR B 79 2.553 13.314 -6.525 1.00 27.82 C ATOM 946 OH TYR B 79 1.339 12.710 -6.298 1.00 29.80 O ATOM 947 HH TYR B 79 0.637 13.179 -6.814 1.00 0.00 H ATOM 948 H TYR B 79 5.845 17.763 -7.852 1.00 0.00 H ATOM 949 N CYS B 80 8.818 16.552 -5.457 1.00 26.62 N ATOM 950 CA CYS B 80 10.260 16.759 -5.412 1.00 26.53 C ATOM 951 C CYS B 80 10.647 18.206 -5.173 1.00 27.46 C ATOM 952 O CYS B 80 11.831 18.489 -5.014 1.00 36.16 O ATOM 953 CB CYS B 80 10.994 16.285 -6.682 1.00 34.30 C ATOM 954 SG CYS B 80 10.547 14.643 -7.196 1.00 38.80 S ATOM 955 H CYS B 80 8.373 16.138 -4.613 1.00 0.00 H ATOM 956 N GLY B 81 9.712 19.133 -5.149 1.00 24.52 N ATOM 957 CA GLY B 81 10.041 20.510 -4.879 1.00 25.22 C ATOM 958 C GLY B 81 8.789 21.348 -5.021 1.00 22.59 C ATOM 959 O GLY B 81 7.707 20.823 -5.320 1.00 23.76 O ATOM 960 H GLY B 81 8.722 18.868 -5.327 1.00 0.00 H ATOM 961 N PRO B 82 8.909 22.655 -4.806 1.00 25.16 N ATOM 962 CA PRO B 82 7.739 23.528 -4.859 1.00 24.93 C ATOM 963 C PRO B 82 7.288 23.734 -6.288 1.00 27.81 C ATOM 964 O PRO B 82 8.044 23.545 -7.243 1.00 26.78 O ATOM 965 CB PRO B 82 8.250 24.843 -4.288 1.00 25.79 C ATOM 966 CG PRO B 82 9.711 24.793 -4.429 1.00 34.14 C ATOM 967 CD PRO B 82 10.143 23.365 -4.442 1.00 29.14 C ATOM 968 N TRP B 83 6.045 24.185 -6.404 1.00 24.05 N ATOM 969 CA TRP B 83 5.462 24.509 -7.701 1.00 23.82 C ATOM 970 C TRP B 83 6.335 25.526 -8.436 1.00 24.15 C ATOM 971 O TRP B 83 6.696 26.569 -7.885 1.00 27.54 O ATOM 972 CB TRP B 83 4.039 25.049 -7.469 1.00 24.37 C ATOM 973 CG TRP B 83 3.289 25.226 -8.724 1.00 23.91 C ATOM 974 CD1 TRP B 83 3.261 26.345 -9.507 1.00 25.36 C ATOM 975 CD2 TRP B 83 2.477 24.249 -9.375 1.00 23.79 C ATOM 976 NE1 TRP B 83 2.476 26.122 -10.613 1.00 25.51 N ATOM 977 CE2 TRP B 83 1.980 24.843 -10.556 1.00 22.66 C ATOM 978 CE3 TRP B 83 2.115 22.924 -9.077 1.00 23.39 C ATOM 979 CZ2 TRP B 83 1.150 24.160 -11.449 1.00 24.50 C ATOM 980 CZ3 TRP B 83 1.291 22.243 -9.970 1.00 23.25 C ATOM 981 CH2 TRP B 83 0.816 22.870 -11.148 1.00 23.72 C ATOM 982 HE1 TRP B 83 2.288 26.810 -11.370 1.00 0.00 H ATOM 983 H TRP B 83 5.471 24.311 -5.546 1.00 0.00 H ATOM 984 N LYS B 84 6.653 25.226 -9.711 1.00 24.85 N ATOM 985 CA LYS B 84 7.608 26.016 -10.482 1.00 26.13 C ATOM 986 C LYS B 84 6.971 26.806 -11.614 1.00 27.04 C ATOM 987 O LYS B 84 7.636 27.686 -12.182 1.00 31.07 O ATOM 988 CB LYS B 84 8.695 25.110 -11.094 1.00 26.81 C ATOM 989 CG LYS B 84 9.523 24.309 -10.090 1.00 28.96 C ATOM 990 CD LYS B 84 10.513 25.190 -9.369 1.00 32.72 C ATOM 991 CE LYS B 84 11.432 24.359 -8.484 1.00 35.44 C ATOM 992 NZ LYS B 84 12.503 25.195 -7.891 1.00 44.65 N ATOM 993 HZ1 LYS B 84 13.070 25.621 -8.652 1.00 0.00 H ATOM 994 HZ2 LYS B 84 12.075 25.946 -7.313 1.00 0.00 H ATOM 995 HZ3 LYS B 84 13.113 24.602 -7.293 1.00 0.00 H ATOM 996 H LYS B 84 6.203 24.404 -10.161 1.00 0.00 H ATOM 997 N LEU B 85 5.724 26.518 -11.964 1.00 24.75 N ATOM 998 CA LEU B 85 5.127 27.079 -13.177 1.00 24.02 C ATOM 999 C LEU B 85 4.439 28.388 -12.819 1.00 27.95 C ATOM 1000 O LEU B 85 3.519 28.403 -11.992 1.00 29.97 O ATOM 1001 CB LEU B 85 4.135 26.095 -13.799 1.00 25.93 C ATOM 1002 CG LEU B 85 4.614 24.648 -13.928 1.00 26.01 C ATOM 1003 CD1 LEU B 85 3.520 23.727 -14.494 1.00 27.68 C ATOM 1004 CD2 LEU B 85 5.905 24.558 -14.736 1.00 30.41 C ATOM 1005 H LEU B 85 5.160 25.882 -11.365 1.00 0.00 H ATOM 1006 N ASP B 86 4.883 29.492 -13.426 1.00 29.88 N ATOM 1007 CA ASP B 86 4.368 30.797 -13.039 1.00 35.44 C ATOM 1008 C ASP B 86 3.838 31.627 -14.198 1.00 33.88 C ATOM 1009 O ASP B 86 3.370 32.748 -13.965 1.00 37.30 O ATOM 1010 CB ASP B 86 5.444 31.608 -12.297 1.00 39.69 C ATOM 1011 CG ASP B 86 6.794 31.567 -12.990 1.00 53.28 C ATOM 1012 OD1 ASP B 86 6.865 31.116 -14.153 1.00 58.34 O ATOM 1013 OD2 ASP B 86 7.790 31.989 -12.364 1.00 61.88 O ATOM 1014 H ASP B 86 5.599 29.419 -14.177 1.00 0.00 H ATOM 1015 N ALA B 87 3.893 31.127 -15.425 1.00 34.54 N ATOM 1016 CA ALA B 87 3.361 31.894 -16.538 1.00 32.39 C ATOM 1017 C ALA B 87 1.843 31.980 -16.433 1.00 31.00 C ATOM 1018 O ALA B 87 1.182 31.086 -15.897 1.00 30.76 O ATOM 1019 CB ALA B 87 3.765 31.263 -17.873 1.00 32.96 C ATOM 1020 H ALA B 87 4.315 30.191 -15.590 1.00 0.00 H ATOM 1021 N ALA B 88 1.288 33.061 -16.979 1.00 32.95 N ATOM 1022 CA ALA B 88 -0.142 33.315 -16.909 1.00 34.12 C ATOM 1023 C ALA B 88 -0.678 33.690 -18.280 1.00 32.45 C ATOM 1024 O ALA B 88 0.005 34.343 -19.073 1.00 34.92 O ATOM 1025 CB ALA B 88 -0.465 34.437 -15.910 1.00 37.69 C ATOM 1026 H ALA B 88 1.897 33.745 -17.471 1.00 0.00 H ATOM 1027 N TRP B 89 -1.917 33.277 -18.543 1.00 35.33 N ATOM 1028 CA TRP B 89 -2.582 33.671 -19.778 1.00 38.08 C ATOM 1029 C TRP B 89 -2.676 35.189 -19.842 1.00 40.31 C ATOM 1030 O TRP B 89 -3.013 35.844 -18.851 1.00 38.27 O ATOM 1031 CB TRP B 89 -3.979 33.050 -19.856 1.00 34.50 C ATOM 1032 CG TRP B 89 -4.752 33.416 -21.097 1.00 35.08 C ATOM 1033 CD1 TRP B 89 -4.278 33.464 -22.377 1.00 37.32 C ATOM 1034 CD2 TRP B 89 -6.133 33.800 -21.167 1.00 37.60 C ATOM 1035 NE1 TRP B 89 -5.283 33.838 -23.240 1.00 40.02 N ATOM 1036 CE2 TRP B 89 -6.430 34.054 -22.522 1.00 39.88 C ATOM 1037 CE3 TRP B 89 -7.149 33.947 -20.216 1.00 41.12 C ATOM 1038 CZ2 TRP B 89 -7.695 34.451 -22.947 1.00 42.45 C ATOM 1039 CZ3 TRP B 89 -8.405 34.342 -20.640 1.00 39.72 C ATOM 1040 CH2 TRP B 89 -8.667 34.587 -21.995 1.00 43.43 C ATOM 1041 HE1 TRP B 89 -5.187 33.940 -24.271 1.00 0.00 H ATOM 1042 H TRP B 89 -2.414 32.668 -17.861 1.00 0.00 H ATOM 1043 N ASP B 90 -2.357 35.753 -21.010 1.00 37.54 N ATOM 1044 CA ASP B 90 -2.407 37.203 -21.155 1.00 41.94 C ATOM 1045 C ASP B 90 -3.828 37.728 -21.317 1.00 41.72 C ATOM 1046 O ASP B 90 -4.011 38.939 -21.450 1.00 45.31 O ATOM 1047 CB ASP B 90 -1.528 37.671 -22.332 1.00 46.56 C ATOM 1048 CG ASP B 90 -2.010 37.170 -23.689 1.00 49.66 C ATOM 1049 OD1 ASP B 90 -3.119 36.608 -23.785 1.00 45.25 O ATOM 1050 OD2 ASP B 90 -1.273 37.360 -24.688 1.00 49.47 O ATOM 1051 H ASP B 90 -2.073 35.159 -21.815 1.00 0.00 H ATOM 1052 N GLY B 91 -4.831 36.852 -21.315 1.00 44.18 N ATOM 1053 CA GLY B 91 -6.209 37.278 -21.441 1.00 44.63 C ATOM 1054 C GLY B 91 -6.628 37.703 -22.828 1.00 47.45 C ATOM 1055 O GLY B 91 -7.748 38.197 -22.988 1.00 47.11 O ATOM 1056 H GLY B 91 -4.620 35.838 -21.221 1.00 0.00 H ATOM 1057 N LEU B 92 -5.773 37.509 -23.835 1.00 43.45 N ATOM 1058 CA LEU B 92 -5.988 38.060 -25.171 1.00 46.77 C ATOM 1059 C LEU B 92 -5.663 37.069 -26.281 1.00 47.28 C ATOM 1060 O LEU B 92 -6.338 37.045 -27.318 1.00 53.54 O ATOM 1061 CB LEU B 92 -5.127 39.308 -25.377 1.00 48.80 C ATOM 1062 CG LEU B 92 -5.446 40.599 -24.632 1.00 53.72 C ATOM 1063 CD1 LEU B 92 -4.357 41.624 -24.924 1.00 58.81 C ATOM 1064 CD2 LEU B 92 -6.805 41.132 -25.064 1.00 59.77 C ATOM 1065 H LEU B 92 -4.919 36.942 -23.661 1.00 0.00 H ATOM 1066 N SER B 93 -4.610 36.278 -26.094 1.00 45.76 N ATOM 1067 CA SER B 93 -4.045 35.466 -27.162 1.00 48.85 C ATOM 1068 C SER B 93 -4.565 34.037 -27.107 1.00 43.39 C ATOM 1069 O SER B 93 -4.970 33.539 -26.051 1.00 38.92 O ATOM 1070 CB SER B 93 -2.517 35.454 -27.076 1.00 55.24 C ATOM 1071 OG SER B 93 -2.006 36.770 -26.965 1.00 61.88 O ATOM 1072 HG SER B 93 -2.368 37.195 -26.147 1.00 0.00 H ATOM 1073 H SER B 93 -4.174 36.238 -25.150 1.00 0.00 H ATOM 1074 N GLU B 94 -4.553 33.381 -28.266 1.00 46.97 N ATOM 1075 CA GLU B 94 -4.831 31.956 -28.306 1.00 41.56 C ATOM 1076 C GLU B 94 -3.726 31.196 -27.578 1.00 41.74 C ATOM 1077 O GLU B 94 -2.594 31.672 -27.444 1.00 42.91 O ATOM 1078 CB GLU B 94 -4.987 31.481 -29.761 1.00 44.90 C ATOM 1079 CG GLU B 94 -6.254 32.046 -30.393 1.00 46.37 C ATOM 1080 CD GLU B 94 -6.675 31.371 -31.696 1.00 58.93 C ATOM 1081 OE1 GLU B 94 -7.878 31.459 -32.035 1.00 59.34 O ATOM 1082 OE2 GLU B 94 -5.814 30.777 -32.382 1.00 58.76 O ATOM 1083 H GLU B 94 -4.343 33.892 -29.147 1.00 0.00 H ATOM 1084 N VAL B 95 -4.081 30.022 -27.066 1.00 39.17 N ATOM 1085 CA VAL B 95 -3.177 29.157 -26.337 1.00 36.46 C ATOM 1086 C VAL B 95 -3.205 27.787 -26.999 1.00 37.50 C ATOM 1087 O VAL B 95 -3.980 27.544 -27.920 1.00 40.47 O ATOM 1088 CB VAL B 95 -3.564 29.044 -24.847 1.00 32.51 C ATOM 1089 CG1 VAL B 95 -3.694 30.424 -24.231 1.00 34.60 C ATOM 1090 CG2 VAL B 95 -4.866 28.290 -24.722 1.00 34.62 C ATOM 1091 H VAL B 95 -5.063 29.707 -27.196 1.00 0.00 H ATOM 1092 N GLN B 96 -2.365 26.879 -26.509 1.00 34.15 N ATOM 1093 CA GLN B 96 -2.393 25.503 -26.981 1.00 36.55 C ATOM 1094 C GLN B 96 -2.480 24.544 -25.810 1.00 33.45 C ATOM 1095 O GLN B 96 -1.737 24.671 -24.831 1.00 34.00 O ATOM 1096 CB GLN B 96 -1.178 25.173 -27.837 1.00 35.03 C ATOM 1097 CG GLN B 96 -1.326 25.724 -29.249 1.00 34.06 C ATOM 1098 CD GLN B 96 -0.149 25.415 -30.142 1.00 38.57 C ATOM 1099 OE1 GLN B 96 0.715 24.608 -29.804 1.00 38.22 O ATOM 1100 NE2 GLN B 96 -0.115 26.057 -31.305 1.00 45.00 N ATOM 1101 HE22 GLN B 96 -0.868 26.731 -31.549 1.00 0.00 H ATOM 1102 HE21 GLN B 96 0.665 25.885 -31.971 1.00 0.00 H ATOM 1103 H GLN B 96 -1.679 27.157 -25.778 1.00 0.00 H ATOM 1104 N LEU B 97 -3.402 23.598 -25.918 1.00 32.88 N ATOM 1105 CA LEU B 97 -3.444 22.441 -25.046 1.00 32.04 C ATOM 1106 C LEU B 97 -2.531 21.380 -25.638 1.00 32.90 C ATOM 1107 O LEU B 97 -2.717 20.962 -26.788 1.00 33.84 O ATOM 1108 CB LEU B 97 -4.873 21.923 -24.901 1.00 30.10 C ATOM 1109 CG LEU B 97 -5.029 20.579 -24.201 1.00 29.74 C ATOM 1110 CD1 LEU B 97 -4.582 20.724 -22.740 1.00 28.74 C ATOM 1111 CD2 LEU B 97 -6.478 20.134 -24.271 1.00 35.15 C ATOM 1112 H LEU B 97 -4.126 23.690 -26.659 1.00 0.00 H ATOM 1113 N LEU B 98 -1.512 20.981 -24.881 1.00 31.56 N ATOM 1114 CA LEU B 98 -0.688 19.843 -25.270 1.00 33.67 C ATOM 1115 C LEU B 98 -1.347 18.619 -24.642 1.00 36.02 C ATOM 1116 O LEU B 98 -1.004 18.173 -23.544 1.00 32.26 O ATOM 1117 CB LEU B 98 0.761 20.044 -24.834 1.00 36.51 C ATOM 1118 CG LEU B 98 1.751 18.959 -25.264 1.00 36.98 C ATOM 1119 CD1 LEU B 98 1.657 18.699 -26.760 1.00 44.92 C ATOM 1120 CD2 LEU B 98 3.165 19.370 -24.883 1.00 41.62 C ATOM 1121 H LEU B 98 -1.300 21.489 -23.998 1.00 0.00 H ATOM 1122 N ALA B 99 -2.364 18.112 -25.342 1.00 33.48 N ATOM 1123 CA ALA B 99 -3.141 16.978 -24.861 1.00 35.61 C ATOM 1124 C ALA B 99 -2.363 15.680 -25.037 1.00 38.91 C ATOM 1125 O ALA B 99 -1.806 15.417 -26.108 1.00 38.19 O ATOM 1126 CB ALA B 99 -4.470 16.896 -25.615 1.00 39.90 C ATOM 1127 H ALA B 99 -2.609 18.539 -26.258 1.00 0.00 H ATOM 1128 N VAL B 100 -2.354 14.851 -24.002 1.00 33.49 N ATOM 1129 CA VAL B 100 -1.704 13.546 -24.061 1.00 35.18 C ATOM 1130 C VAL B 100 -2.762 12.486 -23.770 1.00 40.47 C ATOM 1131 O VAL B 100 -2.887 12.037 -22.622 1.00 38.05 O ATOM 1132 CB VAL B 100 -0.521 13.463 -23.084 1.00 33.44 C ATOM 1133 CG1 VAL B 100 0.227 12.147 -23.243 1.00 40.67 C ATOM 1134 CG2 VAL B 100 0.419 14.647 -23.270 1.00 32.58 C ATOM 1135 H VAL B 100 -2.825 15.140 -23.121 1.00 0.00 H ATOM 1136 N PRO B 101 -3.543 12.069 -24.774 1.00 43.75 N ATOM 1137 CA PRO B 101 -4.632 11.127 -24.510 1.00 43.65 C ATOM 1138 C PRO B 101 -4.095 9.724 -24.279 1.00 45.11 C ATOM 1139 O PRO B 101 -3.036 9.356 -24.811 1.00 40.99 O ATOM 1140 CB PRO B 101 -5.473 11.194 -25.802 1.00 48.62 C ATOM 1141 CG PRO B 101 -5.025 12.430 -26.500 1.00 48.78 C ATOM 1142 CD PRO B 101 -3.580 12.578 -26.150 1.00 45.38 C ATOM 1143 N PRO B 102 -4.801 8.908 -23.495 1.00 42.68 N ATOM 1144 CA PRO B 102 -4.362 7.523 -23.276 1.00 44.15 C ATOM 1145 C PRO B 102 -4.150 6.778 -24.585 1.00 46.78 C ATOM 1146 O PRO B 102 -4.983 6.829 -25.490 1.00 51.24 O ATOM 1147 CB PRO B 102 -5.513 6.919 -22.465 1.00 42.91 C ATOM 1148 CG PRO B 102 -6.064 8.084 -21.702 1.00 46.22 C ATOM 1149 CD PRO B 102 -5.961 9.256 -22.655 1.00 43.84 C ATOM 1150 N GLY B 103 -3.010 6.095 -24.685 1.00 47.04 N ATOM 1151 CA GLY B 103 -2.692 5.275 -25.838 1.00 48.62 C ATOM 1152 C GLY B 103 -2.413 6.024 -27.120 1.00 47.85 C ATOM 1153 O GLY B 103 -2.264 5.389 -28.168 1.00 49.87 O ATOM 1154 H GLY B 103 -2.322 6.152 -23.907 1.00 0.00 H ATOM 1155 N GLU B 104 -2.325 7.353 -27.073 1.00 47.69 N ATOM 1156 CA GLU B 104 -2.168 8.176 -28.262 1.00 48.14 C ATOM 1157 C GLU B 104 -1.027 9.164 -28.071 1.00 45.65 C ATOM 1158 O GLU B 104 -0.679 9.536 -26.948 1.00 43.43 O ATOM 1159 CB GLU B 104 -3.460 8.936 -28.594 1.00 55.45 C ATOM 1160 H GLU B 104 -2.371 7.822 -26.146 1.00 0.00 H ATOM 1161 N ARG B 105 -0.466 9.611 -29.192 1.00 46.91 N ATOM 1162 CA ARG B 105 0.669 10.522 -29.152 1.00 41.53 C ATOM 1163 C ARG B 105 0.232 11.917 -28.698 1.00 44.92 C ATOM 1164 O ARG B 105 -0.914 12.335 -28.904 1.00 42.90 O ATOM 1165 CB ARG B 105 1.326 10.581 -30.535 1.00 49.08 C ATOM 1166 CG ARG B 105 2.752 11.099 -30.538 1.00 55.30 C ATOM 1167 CD ARG B 105 3.509 10.658 -31.790 1.00 57.35 C ATOM 1168 NE ARG B 105 2.717 10.825 -33.003 1.00 65.09 N ATOM 1169 CZ ARG B 105 2.170 9.824 -33.690 1.00 69.28 C ATOM 1170 NH1 ARG B 105 2.326 8.571 -33.282 1.00 69.80 N ATOM 1171 NH2 ARG B 105 1.467 10.079 -34.785 1.00 69.22 N ATOM 1172 HE ARG B 105 2.569 11.792 -33.356 1.00 0.00 H ATOM 1173 HH12 ARG B 105 1.897 7.791 -33.821 1.00 0.00 H ATOM 1174 HH11 ARG B 105 2.877 8.368 -32.423 1.00 0.00 H ATOM 1175 HH22 ARG B 105 1.039 9.298 -35.322 1.00 0.00 H ATOM 1176 HH21 ARG B 105 1.343 11.060 -35.107 1.00 0.00 H ATOM 1177 H ARG B 105 -0.844 9.305 -30.111 1.00 0.00 H ATOM 1178 N ALA B 106 1.159 12.628 -28.052 1.00 42.13 N ATOM 1179 CA ALA B 106 0.902 14.004 -27.645 1.00 41.96 C ATOM 1180 C ALA B 106 0.552 14.861 -28.856 1.00 41.32 C ATOM 1181 O ALA B 106 1.140 14.716 -29.932 1.00 45.72 O ATOM 1182 CB ALA B 106 2.120 14.582 -26.927 1.00 42.83 C ATOM 1183 H ALA B 106 2.079 12.193 -27.836 1.00 0.00 H ATOM 1184 N LYS B 107 -0.419 15.756 -28.680 1.00 44.52 N ATOM 1185 CA LYS B 107 -0.891 16.589 -29.780 1.00 50.84 C ATOM 1186 C LYS B 107 -1.240 17.977 -29.260 1.00 42.40 C ATOM 1187 O LYS B 107 -1.735 18.125 -28.140 1.00 41.29 O ATOM 1188 CB LYS B 107 -2.103 15.949 -30.481 1.00 57.54 C ATOM 1189 CG LYS B 107 -3.414 16.060 -29.715 1.00 63.19 C ATOM 1190 CD LYS B 107 -4.544 15.262 -30.359 1.00 66.45 C ATOM 1191 CE LYS B 107 -4.271 13.765 -30.305 1.00 73.46 C ATOM 1192 NZ LYS B 107 -5.510 12.950 -30.463 1.00 77.52 N ATOM 1193 HZ1 LYS B 107 -6.176 13.182 -29.698 1.00 0.00 H ATOM 1194 HZ2 LYS B 107 -5.948 13.162 -31.382 1.00 0.00 H ATOM 1195 HZ3 LYS B 107 -5.267 11.940 -30.419 1.00 0.00 H ATOM 1196 H LYS B 107 -0.849 15.863 -27.739 1.00 0.00 H ATOM 1197 N ASN B 108 -0.962 18.996 -30.069 1.00 42.77 N ATOM 1198 CA ASN B 108 -1.258 20.384 -29.734 1.00 41.15 C ATOM 1199 C ASN B 108 -2.588 20.796 -30.351 1.00 40.65 C ATOM 1200 O ASN B 108 -2.795 20.622 -31.560 1.00 45.61 O ATOM 1201 CB ASN B 108 -0.167 21.332 -30.241 1.00 47.29 C ATOM 1202 CG ASN B 108 1.180 21.101 -29.589 1.00 48.74 C ATOM 1203 OD1 ASN B 108 1.666 21.953 -28.849 1.00 44.59 O ATOM 1204 ND2 ASN B 108 1.812 19.970 -29.897 1.00 51.38 N ATOM 1205 HD22 ASN B 108 1.361 19.277 -30.528 1.00 0.00 H ATOM 1206 HD21 ASN B 108 2.757 19.779 -29.506 1.00 0.00 H ATOM 1207 H ASN B 108 -0.512 18.793 -30.984 1.00 0.00 H ATOM 1208 N ILE B 109 -3.456 21.391 -29.530 1.00 45.45 N ATOM 1209 CA ILE B 109 -4.740 21.930 -29.970 1.00 47.75 C ATOM 1210 C ILE B 109 -4.768 23.407 -29.606 1.00 44.61 C ATOM 1211 O ILE B 109 -4.632 23.761 -28.430 1.00 40.48 O ATOM 1212 CB ILE B 109 -5.923 21.193 -29.324 1.00 51.23 C ATOM 1213 CG1 ILE B 109 -5.704 19.681 -29.370 1.00 58.66 C ATOM 1214 CG2 ILE B 109 -7.228 21.590 -29.998 1.00 52.80 C ATOM 1215 CD1 ILE B 109 -5.705 19.106 -30.762 1.00 61.48 C ATOM 1216 H ILE B 109 -3.205 21.475 -28.524 1.00 0.00 H ATOM 1217 N GLN B 110 -4.946 24.264 -30.605 1.00 48.19 N ATOM 1218 CA GLN B 110 -4.970 25.703 -30.387 1.00 42.82 C ATOM 1219 C GLN B 110 -6.397 26.199 -30.185 1.00 50.17 C ATOM 1220 O GLN B 110 -7.339 25.712 -30.820 1.00 51.58 O ATOM 1221 CB GLN B 110 -4.339 26.438 -31.575 1.00 42.86 C ATOM 1222 CG GLN B 110 -4.069 27.909 -31.298 1.00 47.97 C ATOM 1223 CD GLN B 110 -3.130 28.540 -32.303 1.00 50.13 C ATOM 1224 OE1 GLN B 110 -2.032 28.041 -32.549 1.00 49.23 O ATOM 1225 NE2 GLN B 110 -3.549 29.660 -32.875 1.00 56.46 N ATOM 1226 HE22 GLN B 110 -4.485 30.047 -32.638 1.00 0.00 H ATOM 1227 HE21 GLN B 110 -2.942 30.152 -33.561 1.00 0.00 H ATOM 1228 H GLN B 110 -5.072 23.897 -31.570 1.00 0.00 H ATOM 1229 N THR B 111 -6.544 27.208 -29.325 1.00 43.58 N ATOM 1230 CA THR B 111 -7.867 27.712 -28.974 1.00 46.92 C ATOM 1231 C THR B 111 -7.743 29.095 -28.341 1.00 46.31 C ATOM 1232 O THR B 111 -6.697 29.459 -27.801 1.00 43.36 O ATOM 1233 CB THR B 111 -8.585 26.743 -28.020 1.00 42.39 C ATOM 1234 OG1 THR B 111 -9.979 27.065 -27.972 1.00 47.29 O ATOM 1235 CG2 THR B 111 -8.002 26.830 -26.620 1.00 40.63 C ATOM 1236 HG1 THR B 111 -10.367 26.983 -28.879 1.00 0.00 H ATOM 1237 H THR B 111 -5.701 27.643 -28.898 1.00 0.00 H ATOM 1238 N LEU B 112 -8.833 29.871 -28.419 1.00 44.93 N ATOM 1239 CA LEU B 112 -8.917 31.126 -27.682 1.00 41.64 C ATOM 1240 C LEU B 112 -9.697 30.888 -26.397 1.00 37.80 C ATOM 1241 O LEU B 112 -10.908 30.615 -26.467 1.00 39.32 O ATOM 1242 CB LEU B 112 -9.593 32.214 -28.514 1.00 48.46 C ATOM 1243 CG LEU B 112 -9.793 33.526 -27.743 1.00 46.54 C ATOM 1244 CD1 LEU B 112 -8.471 34.263 -27.546 1.00 47.49 C ATOM 1245 CD2 LEU B 112 -10.803 34.415 -28.426 1.00 52.56 C ATOM 1246 H LEU B 112 -9.632 29.573 -29.015 1.00 0.00 H ATOM 1247 N PRO B 113 -9.080 31.003 -25.214 1.00 36.70 N ATOM 1248 CA PRO B 113 -9.800 30.673 -23.981 1.00 35.16 C ATOM 1249 C PRO B 113 -11.013 31.567 -23.775 1.00 38.43 C ATOM 1250 O PRO B 113 -11.055 32.715 -24.225 1.00 40.79 O ATOM 1251 CB PRO B 113 -8.754 30.904 -22.879 1.00 35.31 C ATOM 1252 CG PRO B 113 -7.419 30.862 -23.564 1.00 34.04 C ATOM 1253 CD PRO B 113 -7.690 31.419 -24.955 1.00 34.39 C ATOM 1254 N GLY B 114 -12.019 31.009 -23.108 1.00 39.46 N ATOM 1255 CA GLY B 114 -13.066 31.787 -22.482 1.00 36.83 C ATOM 1256 C GLY B 114 -12.640 32.167 -21.074 1.00 34.90 C ATOM 1257 O GLY B 114 -11.457 32.146 -20.727 1.00 36.36 O ATOM 1258 H GLY B 114 -12.055 29.972 -23.033 1.00 0.00 H ATOM 1259 N ILE B 115 -13.620 32.528 -20.253 1.00 39.17 N ATOM 1260 CA ILE B 115 -13.334 33.039 -18.913 1.00 37.96 C ATOM 1261 C ILE B 115 -14.300 32.421 -17.914 1.00 41.58 C ATOM 1262 O ILE B 115 -15.516 32.440 -18.129 1.00 46.45 O ATOM 1263 CB ILE B 115 -13.432 34.578 -18.871 1.00 46.05 C ATOM 1264 CG1 ILE B 115 -12.441 35.209 -19.852 1.00 47.85 C ATOM 1265 CG2 ILE B 115 -13.203 35.098 -17.462 1.00 44.42 C ATOM 1266 CD1 ILE B 115 -12.627 36.702 -20.026 1.00 52.08 C ATOM 1267 H ILE B 115 -14.608 32.446 -20.569 1.00 0.00 H ATOM 1268 N PHE B 116 -13.755 31.873 -16.824 1.00 38.08 N ATOM 1269 CA PHE B 116 -14.535 31.573 -15.629 1.00 42.34 C ATOM 1270 C PHE B 116 -14.603 32.830 -14.769 1.00 43.77 C ATOM 1271 O PHE B 116 -13.564 33.358 -14.360 1.00 41.59 O ATOM 1272 CB PHE B 116 -13.898 30.447 -14.813 1.00 36.80 C ATOM 1273 CG PHE B 116 -14.166 29.058 -15.325 1.00 40.23 C ATOM 1274 CD1 PHE B 116 -14.964 28.832 -16.435 1.00 42.54 C ATOM 1275 CD2 PHE B 116 -13.627 27.961 -14.655 1.00 37.37 C ATOM 1276 CE1 PHE B 116 -15.203 27.542 -16.882 1.00 40.70 C ATOM 1277 CE2 PHE B 116 -13.860 26.673 -15.091 1.00 38.22 C ATOM 1278 CZ PHE B 116 -14.649 26.463 -16.221 1.00 40.03 C ATOM 1279 H PHE B 116 -12.739 31.653 -16.828 1.00 0.00 H ATOM 1280 N LYS B 117 -15.810 33.301 -14.480 1.00 46.47 N ATOM 1281 CA LYS B 117 -16.012 34.468 -13.630 1.00 41.89 C ATOM 1282 C LYS B 117 -16.386 33.988 -12.232 1.00 44.65 C ATOM 1283 O LYS B 117 -17.437 33.365 -12.054 1.00 47.08 O ATOM 1284 CB LYS B 117 -17.107 35.373 -14.195 1.00 55.04 C ATOM 1285 CG LYS B 117 -16.839 36.865 -14.056 1.00 66.22 C ATOM 1286 CD LYS B 117 -16.231 37.433 -15.334 1.00 70.69 C ATOM 1287 CE LYS B 117 -16.178 38.958 -15.305 1.00 76.16 C ATOM 1288 NZ LYS B 117 -15.510 39.519 -16.517 1.00 76.96 N ATOM 1289 HZ1 LYS B 117 -14.535 39.161 -16.571 1.00 0.00 H ATOM 1290 HZ2 LYS B 117 -16.035 39.228 -17.366 1.00 0.00 H ATOM 1291 HZ3 LYS B 117 -15.496 40.557 -16.455 1.00 0.00 H ATOM 1292 H LYS B 117 -16.643 32.819 -14.875 1.00 0.00 H ATOM 1293 N THR B 118 -15.532 34.270 -11.249 1.00 47.97 N ATOM 1294 CA THR B 118 -15.772 33.869 -9.866 1.00 50.97 C ATOM 1295 C THR B 118 -15.814 35.088 -8.952 1.00 52.96 C ATOM 1296 O THR B 118 -15.436 36.198 -9.335 1.00 57.51 O ATOM 1297 CB THR B 118 -14.691 32.902 -9.357 1.00 52.70 C ATOM 1298 OG1 THR B 118 -13.525 33.644 -8.975 1.00 50.82 O ATOM 1299 CG2 THR B 118 -14.312 31.902 -10.424 1.00 50.36 C ATOM 1300 HG1 THR B 118 -13.180 34.141 -9.759 1.00 0.00 H ATOM 1301 H THR B 118 -14.663 34.795 -11.475 1.00 0.00 H ATOM 1302 N LYS B 119 -16.264 34.852 -7.712 1.00 56.46 N ATOM 1303 CA LYS B 119 -16.279 35.908 -6.703 1.00 59.95 C ATOM 1304 C LYS B 119 -14.876 36.417 -6.397 1.00 60.09 C ATOM 1305 O LYS B 119 -14.713 37.560 -5.953 1.00 67.04 O ATOM 1306 CB LYS B 119 -16.933 35.399 -5.416 1.00 61.79 C ATOM 1307 CG LYS B 119 -16.155 34.268 -4.748 1.00 64.48 C ATOM 1308 CD LYS B 119 -16.380 34.223 -3.240 1.00 72.55 C ATOM 1309 CE LYS B 119 -17.836 33.982 -2.898 1.00 80.85 C ATOM 1310 NZ LYS B 119 -18.336 32.735 -3.538 1.00 82.14 N ATOM 1311 HZ1 LYS B 119 -18.245 32.816 -4.571 1.00 0.00 H ATOM 1312 HZ2 LYS B 119 -17.776 31.926 -3.202 1.00 0.00 H ATOM 1313 HZ3 LYS B 119 -19.335 32.595 -3.287 1.00 0.00 H ATOM 1314 H LYS B 119 -16.608 33.902 -7.464 1.00 0.00 H ATOM 1315 N ASP B 120 -13.858 35.587 -6.618 1.00 56.78 N ATOM 1316 CA ASP B 120 -12.478 35.931 -6.306 1.00 61.09 C ATOM 1317 C ASP B 120 -11.652 36.224 -7.553 1.00 59.38 C ATOM 1318 O ASP B 120 -10.426 36.076 -7.528 1.00 64.18 O ATOM 1319 CB ASP B 120 -11.835 34.812 -5.490 1.00 62.29 C ATOM 1320 CG ASP B 120 -12.548 34.577 -4.172 1.00 67.46 C ATOM 1321 OD1 ASP B 120 -12.710 35.551 -3.405 1.00 67.81 O ATOM 1322 OD2 ASP B 120 -12.958 33.426 -3.910 1.00 68.80 O ATOM 1323 H ASP B 120 -14.057 34.654 -7.031 1.00 0.00 H ATOM 1324 N GLY B 121 -12.294 36.626 -8.642 1.00 55.74 N ATOM 1325 CA GLY B 121 -11.602 37.014 -9.854 1.00 54.61 C ATOM 1326 C GLY B 121 -11.944 36.114 -11.026 1.00 52.55 C ATOM 1327 O GLY B 121 -12.715 35.162 -10.920 1.00 53.02 O ATOM 1328 H GLY B 121 -13.333 36.664 -8.625 1.00 0.00 H ATOM 1329 N ASP B 122 -11.341 36.441 -12.162 1.00 47.17 N ATOM 1330 CA ASP B 122 -11.567 35.714 -13.399 1.00 45.27 C ATOM 1331 C ASP B 122 -10.427 34.743 -13.660 1.00 43.72 C ATOM 1332 O ASP B 122 -9.282 34.979 -13.267 1.00 46.14 O ATOM 1333 CB ASP B 122 -11.708 36.676 -14.580 1.00 50.79 C ATOM 1334 CG ASP B 122 -12.854 37.641 -14.404 1.00 62.44 C ATOM 1335 OD1 ASP B 122 -13.674 37.422 -13.488 1.00 67.58 O ATOM 1336 OD2 ASP B 122 -12.937 38.612 -15.184 1.00 68.88 O ATOM 1337 H ASP B 122 -10.683 37.247 -12.167 1.00 0.00 H ATOM 1338 N ILE B 123 -10.758 33.646 -14.340 1.00 41.61 N ATOM 1339 CA ILE B 123 -9.816 32.595 -14.697 1.00 38.08 C ATOM 1340 C ILE B 123 -10.040 32.250 -16.165 1.00 37.17 C ATOM 1341 O ILE B 123 -11.186 32.144 -16.613 1.00 38.37 O ATOM 1342 CB ILE B 123 -10.003 31.338 -13.814 1.00 38.85 C ATOM 1343 CG1 ILE B 123 -10.025 31.692 -12.327 1.00 48.12 C ATOM 1344 CG2 ILE B 123 -8.904 30.333 -14.072 1.00 44.09 C ATOM 1345 CD1 ILE B 123 -10.289 30.491 -11.429 1.00 50.48 C ATOM 1346 H ILE B 123 -11.749 33.534 -14.634 1.00 0.00 H ATOM 1347 N GLY B 124 -8.956 32.082 -16.916 1.00 35.15 N ATOM 1348 CA GLY B 124 -9.094 31.571 -18.270 1.00 33.65 C ATOM 1349 C GLY B 124 -9.623 30.149 -18.260 1.00 36.19 C ATOM 1350 O GLY B 124 -9.422 29.392 -17.305 1.00 33.91 O ATOM 1351 H GLY B 124 -8.016 32.315 -16.537 1.00 0.00 H ATOM 1352 N ALA B 125 -10.317 29.787 -19.335 1.00 36.09 N ATOM 1353 CA ALA B 125 -10.935 28.474 -19.447 1.00 32.61 C ATOM 1354 C ALA B 125 -10.893 28.039 -20.900 1.00 36.38 C ATOM 1355 O ALA B 125 -11.072 28.861 -21.805 1.00 41.62 O ATOM 1356 CB ALA B 125 -12.384 28.482 -18.950 1.00 37.84 C ATOM 1357 H ALA B 125 -10.421 30.462 -20.119 1.00 0.00 H ATOM 1358 N VAL B 126 -10.668 26.750 -21.129 1.00 32.33 N ATOM 1359 CA VAL B 126 -10.593 26.225 -22.491 1.00 31.81 C ATOM 1360 C VAL B 126 -11.758 25.274 -22.730 1.00 38.45 C ATOM 1361 O VAL B 126 -12.021 24.379 -21.913 1.00 36.21 O ATOM 1362 CB VAL B 126 -9.238 25.552 -22.777 1.00 36.58 C ATOM 1363 CG1 VAL B 126 -8.111 26.583 -22.711 1.00 40.30 C ATOM 1364 CG2 VAL B 126 -8.979 24.395 -21.864 1.00 36.37 C ATOM 1365 H VAL B 126 -10.543 26.103 -20.325 1.00 0.00 H ATOM 1366 N ALA B 127 -12.463 25.491 -23.844 1.00 37.69 N ATOM 1367 CA ALA B 127 -13.597 24.663 -24.258 1.00 40.82 C ATOM 1368 C ALA B 127 -13.095 23.548 -25.175 1.00 44.64 C ATOM 1369 O ALA B 127 -13.337 23.517 -26.385 1.00 47.48 O ATOM 1370 CB ALA B 127 -14.662 25.516 -24.937 1.00 48.34 C ATOM 1371 H ALA B 127 -12.191 26.292 -24.450 1.00 0.00 H ATOM 1372 N LEU B 128 -12.358 22.629 -24.564 1.00 44.51 N ATOM 1373 CA LEU B 128 -11.828 21.446 -25.222 1.00 44.91 C ATOM 1374 C LEU B 128 -12.173 20.230 -24.374 1.00 42.10 C ATOM 1375 O LEU B 128 -12.095 20.279 -23.141 1.00 39.29 O ATOM 1376 CB LEU B 128 -10.314 21.565 -25.427 1.00 42.64 C ATOM 1377 CG LEU B 128 -9.860 22.748 -26.290 1.00 45.31 C ATOM 1378 CD1 LEU B 128 -8.356 22.958 -26.176 1.00 48.25 C ATOM 1379 CD2 LEU B 128 -10.272 22.539 -27.737 1.00 45.08 C ATOM 1380 H LEU B 128 -12.147 22.763 -23.554 1.00 0.00 H ATOM 1381 N ASP B 129 -12.570 19.149 -25.036 1.00 50.56 N ATOM 1382 CA ASP B 129 -13.158 17.990 -24.375 1.00 47.53 C ATOM 1383 C ASP B 129 -12.303 16.764 -24.664 1.00 42.64 C ATOM 1384 O ASP B 129 -12.338 16.223 -25.777 1.00 48.91 O ATOM 1385 CB ASP B 129 -14.595 17.781 -24.845 1.00 55.90 C ATOM 1386 CG ASP B 129 -15.405 16.938 -23.886 1.00 63.62 C ATOM 1387 OD1 ASP B 129 -14.814 16.070 -23.207 1.00 63.78 O ATOM 1388 OD2 ASP B 129 -16.639 17.130 -23.825 1.00 66.50 O ATOM 1389 H ASP B 129 -12.457 19.128 -26.070 1.00 0.00 H ATOM 1390 N TYR B 130 -11.553 16.325 -23.661 1.00 41.48 N ATOM 1391 CA TYR B 130 -10.684 15.164 -23.754 1.00 44.95 C ATOM 1392 C TYR B 130 -10.969 14.222 -22.597 1.00 45.78 C ATOM 1393 O TYR B 130 -11.472 14.647 -21.552 1.00 48.25 O ATOM 1394 CB TYR B 130 -9.210 15.598 -23.776 1.00 42.91 C ATOM 1395 CG TYR B 130 -8.823 16.109 -25.142 1.00 47.75 C ATOM 1396 CD1 TYR B 130 -8.417 15.228 -26.134 1.00 50.20 C ATOM 1397 CD2 TYR B 130 -8.914 17.459 -25.459 1.00 49.53 C ATOM 1398 CE1 TYR B 130 -8.087 15.675 -27.398 1.00 51.75 C ATOM 1399 CE2 TYR B 130 -8.585 17.917 -26.729 1.00 53.70 C ATOM 1400 CZ TYR B 130 -8.172 17.016 -27.693 1.00 53.12 C ATOM 1401 OH TYR B 130 -7.838 17.433 -28.965 1.00 58.57 O ATOM 1402 HH TYR B 130 -7.569 16.650 -29.508 1.00 0.00 H ATOM 1403 H TYR B 130 -11.589 16.840 -22.758 1.00 0.00 H ATOM 1404 N PRO B 131 -10.692 12.928 -22.762 1.00 47.24 N ATOM 1405 CA PRO B 131 -11.117 11.937 -21.767 1.00 48.37 C ATOM 1406 C PRO B 131 -10.431 12.141 -20.425 1.00 42.83 C ATOM 1407 O PRO B 131 -9.507 12.938 -20.273 1.00 39.09 O ATOM 1408 CB PRO B 131 -10.709 10.600 -22.395 1.00 48.22 C ATOM 1409 CG PRO B 131 -10.564 10.885 -23.843 1.00 50.77 C ATOM 1410 CD PRO B 131 -10.068 12.286 -23.931 1.00 43.80 C ATOM 1411 N ALA B 132 -10.899 11.366 -19.442 1.00 47.12 N ATOM 1412 CA ALA B 132 -10.443 11.533 -18.063 1.00 45.01 C ATOM 1413 C ALA B 132 -8.929 11.405 -17.944 1.00 45.05 C ATOM 1414 O ALA B 132 -8.299 12.121 -17.157 1.00 46.80 O ATOM 1415 CB ALA B 132 -11.139 10.511 -17.168 1.00 49.72 C ATOM 1416 H ALA B 132 -11.601 10.630 -19.662 1.00 0.00 H ATOM 1417 N GLY B 133 -8.320 10.513 -18.723 1.00 49.93 N ATOM 1418 CA GLY B 133 -6.888 10.291 -18.597 1.00 45.69 C ATOM 1419 C GLY B 133 -6.017 11.448 -19.041 1.00 36.06 C ATOM 1420 O GLY B 133 -4.793 11.373 -18.880 1.00 33.63 O ATOM 1421 H GLY B 133 -8.869 9.974 -19.423 1.00 0.00 H ATOM 1422 N THR B 134 -6.600 12.514 -19.583 1.00 32.08 N ATOM 1423 CA THR B 134 -5.810 13.647 -20.041 1.00 29.71 C ATOM 1424 C THR B 134 -5.707 14.759 -19.000 1.00 28.86 C ATOM 1425 O THR B 134 -5.041 15.765 -19.260 1.00 30.73 O ATOM 1426 CB THR B 134 -6.381 14.206 -21.352 1.00 40.81 C ATOM 1427 OG1 THR B 134 -7.569 14.958 -21.088 1.00 44.16 O ATOM 1428 CG2 THR B 134 -6.726 13.068 -22.303 1.00 39.74 C ATOM 1429 HG1 THR B 134 -8.243 14.370 -20.663 1.00 0.00 H ATOM 1430 H THR B 134 -7.635 12.538 -19.681 1.00 0.00 H ATOM 1431 N SER B 135 -6.340 14.610 -17.835 1.00 29.50 N ATOM 1432 CA SER B 135 -6.209 15.643 -16.816 1.00 31.10 C ATOM 1433 C SER B 135 -4.751 15.800 -16.414 1.00 25.73 C ATOM 1434 O SER B 135 -4.038 14.816 -16.195 1.00 29.68 O ATOM 1435 CB SER B 135 -7.048 15.314 -15.580 1.00 30.59 C ATOM 1436 OG SER B 135 -8.423 15.561 -15.811 1.00 34.87 O ATOM 1437 HG SER B 135 -8.938 15.339 -14.995 1.00 0.00 H ATOM 1438 H SER B 135 -6.921 13.766 -17.656 1.00 0.00 H ATOM 1439 N GLY B 136 -4.323 17.053 -16.270 1.00 25.37 N ATOM 1440 CA GLY B 136 -2.938 17.374 -16.020 1.00 25.57 C ATOM 1441 C GLY B 136 -2.174 17.787 -17.257 1.00 24.58 C ATOM 1442 O GLY B 136 -1.024 18.231 -17.140 1.00 25.64 O ATOM 1443 H GLY B 136 -5.012 17.829 -16.340 1.00 0.00 H ATOM 1444 N SER B 137 -2.776 17.657 -18.433 1.00 25.76 N ATOM 1445 CA SER B 137 -2.085 18.072 -19.645 1.00 24.28 C ATOM 1446 C SER B 137 -1.828 19.575 -19.606 1.00 23.35 C ATOM 1447 O SER B 137 -2.684 20.343 -19.137 1.00 27.94 O ATOM 1448 CB SER B 137 -2.900 17.721 -20.899 1.00 29.39 C ATOM 1449 OG SER B 137 -2.980 16.319 -21.105 1.00 30.71 O ATOM 1450 HG SER B 137 -3.416 15.896 -20.323 1.00 0.00 H ATOM 1451 H SER B 137 -3.736 17.261 -18.488 1.00 0.00 H ATOM 1452 N PRO B 138 -0.664 20.036 -20.066 1.00 24.57 N ATOM 1453 CA PRO B 138 -0.346 21.458 -19.952 1.00 24.42 C ATOM 1454 C PRO B 138 -1.013 22.309 -21.013 1.00 25.53 C ATOM 1455 O PRO B 138 -1.205 21.892 -22.160 1.00 28.23 O ATOM 1456 CB PRO B 138 1.177 21.493 -20.113 1.00 30.01 C ATOM 1457 CG PRO B 138 1.476 20.316 -20.991 1.00 27.76 C ATOM 1458 CD PRO B 138 0.478 19.252 -20.577 1.00 27.98 C ATOM 1459 N ILE B 139 -1.323 23.537 -20.618 1.00 25.74 N ATOM 1460 CA ILE B 139 -1.778 24.593 -21.514 1.00 27.28 C ATOM 1461 C ILE B 139 -0.639 25.593 -21.659 1.00 26.48 C ATOM 1462 O ILE B 139 -0.022 25.991 -20.657 1.00 28.31 O ATOM 1463 CB ILE B 139 -3.061 25.246 -20.975 1.00 31.61 C ATOM 1464 CG1 ILE B 139 -4.136 24.173 -20.816 1.00 35.82 C ATOM 1465 CG2 ILE B 139 -3.530 26.367 -21.894 1.00 33.02 C ATOM 1466 CD1 ILE B 139 -5.277 24.557 -19.912 1.00 35.56 C ATOM 1467 H ILE B 139 -1.236 23.760 -19.606 1.00 0.00 H ATOM 1468 N LEU B 140 -0.321 25.953 -22.914 1.00 27.15 N ATOM 1469 CA LEU B 140 0.883 26.702 -23.243 1.00 29.96 C ATOM 1470 C LEU B 140 0.556 28.062 -23.843 1.00 31.53 C ATOM 1471 O LEU B 140 -0.434 28.215 -24.569 1.00 33.07 O ATOM 1472 CB LEU B 140 1.741 25.962 -24.289 1.00 36.63 C ATOM 1473 CG LEU B 140 2.194 24.544 -23.985 1.00 40.40 C ATOM 1474 CD1 LEU B 140 3.156 24.076 -25.078 1.00 43.15 C ATOM 1475 CD2 LEU B 140 2.841 24.539 -22.629 1.00 37.30 C ATOM 1476 H LEU B 140 -0.965 25.684 -23.685 1.00 0.00 H ATOM 1477 N ASP B 141 1.430 29.039 -23.588 1.00 31.25 N ATOM 1478 CA ASP B 141 1.395 30.268 -24.372 1.00 36.59 C ATOM 1479 C ASP B 141 2.342 30.161 -25.571 1.00 37.28 C ATOM 1480 O ASP B 141 3.034 29.158 -25.761 1.00 39.55 O ATOM 1481 CB ASP B 141 1.711 31.492 -23.506 1.00 37.01 C ATOM 1482 CG ASP B 141 3.135 31.504 -22.942 1.00 41.93 C ATOM 1483 OD1 ASP B 141 4.041 30.807 -23.452 1.00 40.11 O ATOM 1484 OD2 ASP B 141 3.355 32.269 -21.974 1.00 40.74 O ATOM 1485 H ASP B 141 2.134 28.924 -22.832 1.00 0.00 H ATOM 1486 N LYS B 142 2.374 31.217 -26.397 1.00 39.33 N ATOM 1487 CA LYS B 142 3.133 31.182 -27.644 1.00 41.83 C ATOM 1488 C LYS B 142 4.638 31.043 -27.426 1.00 43.76 C ATOM 1489 O LYS B 142 5.350 30.621 -28.346 1.00 48.14 O ATOM 1490 CB LYS B 142 2.836 32.438 -28.473 1.00 44.87 C ATOM 1491 H LYS B 142 1.848 32.078 -26.144 1.00 0.00 H ATOM 1492 N SER B 143 5.141 31.380 -26.237 1.00 41.92 N ATOM 1493 CA SER B 143 6.549 31.166 -25.920 1.00 44.74 C ATOM 1494 C SER B 143 6.841 29.746 -25.450 1.00 43.82 C ATOM 1495 O SER B 143 8.005 29.422 -25.189 1.00 45.86 O ATOM 1496 CB SER B 143 7.008 32.169 -24.858 1.00 51.93 C ATOM 1497 OG SER B 143 6.462 31.852 -23.589 1.00 59.18 O ATOM 1498 HG SER B 143 5.474 31.875 -23.641 1.00 0.00 H ATOM 1499 H SER B 143 4.517 31.804 -25.521 1.00 0.00 H ATOM 1500 N GLY B 144 5.828 28.889 -25.356 1.00 38.36 N ATOM 1501 CA GLY B 144 6.001 27.539 -24.864 1.00 37.03 C ATOM 1502 C GLY B 144 5.959 27.392 -23.360 1.00 36.59 C ATOM 1503 O GLY B 144 6.177 26.285 -22.857 1.00 40.24 O ATOM 1504 H GLY B 144 4.879 29.200 -25.646 1.00 0.00 H ATOM 1505 N ARG B 145 5.687 28.463 -22.629 1.00 31.28 N ATOM 1506 CA ARG B 145 5.609 28.370 -21.175 1.00 27.40 C ATOM 1507 C ARG B 145 4.261 27.802 -20.761 1.00 29.04 C ATOM 1508 O ARG B 145 3.227 28.078 -21.374 1.00 28.58 O ATOM 1509 CB ARG B 145 5.801 29.751 -20.558 1.00 36.84 C ATOM 1510 CG ARG B 145 7.237 30.264 -20.578 1.00 43.36 C ATOM 1511 CD ARG B 145 7.304 31.642 -19.975 1.00 48.79 C ATOM 1512 NE ARG B 145 6.437 32.588 -20.689 1.00 54.36 N ATOM 1513 CZ ARG B 145 6.043 33.770 -20.226 1.00 65.28 C ATOM 1514 NH1 ARG B 145 6.413 34.174 -19.018 1.00 67.89 N ATOM 1515 NH2 ARG B 145 5.265 34.536 -20.974 1.00 70.26 N ATOM 1516 HE ARG B 145 6.104 32.310 -21.634 1.00 0.00 H ATOM 1517 HH12 ARG B 145 6.101 35.100 -18.661 1.00 0.00 H ATOM 1518 HH11 ARG B 145 7.015 33.565 -18.428 1.00 0.00 H ATOM 1519 HH22 ARG B 145 4.952 35.462 -20.620 1.00 0.00 H ATOM 1520 HH21 ARG B 145 4.967 34.212 -21.916 1.00 0.00 H ATOM 1521 H ARG B 145 5.528 29.379 -23.096 1.00 0.00 H ATOM 1522 N VAL B 146 4.264 27.036 -19.673 1.00 26.81 N ATOM 1523 CA VAL B 146 3.032 26.418 -19.204 1.00 26.20 C ATOM 1524 C VAL B 146 2.273 27.447 -18.380 1.00 26.85 C ATOM 1525 O VAL B 146 2.771 27.911 -17.350 1.00 27.35 O ATOM 1526 CB VAL B 146 3.333 25.157 -18.385 1.00 26.45 C ATOM 1527 CG1 VAL B 146 2.054 24.550 -17.832 1.00 26.47 C ATOM 1528 CG2 VAL B 146 4.086 24.144 -19.253 1.00 26.94 C ATOM 1529 H VAL B 146 5.152 26.878 -19.155 1.00 0.00 H ATOM 1530 N ILE B 147 1.060 27.789 -18.825 1.00 24.29 N ATOM 1531 CA ILE B 147 0.233 28.780 -18.148 1.00 25.65 C ATOM 1532 C ILE B 147 -0.810 28.140 -17.251 1.00 25.21 C ATOM 1533 O ILE B 147 -1.515 28.855 -16.522 1.00 26.91 O ATOM 1534 CB ILE B 147 -0.441 29.740 -19.154 1.00 26.14 C ATOM 1535 CG1 ILE B 147 -1.264 28.980 -20.199 1.00 28.94 C ATOM 1536 CG2 ILE B 147 0.606 30.589 -19.834 1.00 29.98 C ATOM 1537 CD1 ILE B 147 -2.064 29.903 -21.096 1.00 32.11 C ATOM 1538 H ILE B 147 0.693 27.332 -19.684 1.00 0.00 H ATOM 1539 N GLY B 148 -0.913 26.818 -17.268 1.00 25.54 N ATOM 1540 CA GLY B 148 -1.799 26.100 -16.369 1.00 25.87 C ATOM 1541 C GLY B 148 -1.958 24.672 -16.841 1.00 26.91 C ATOM 1542 O GLY B 148 -1.432 24.273 -17.886 1.00 25.52 O ATOM 1543 H GLY B 148 -0.340 26.278 -17.948 1.00 0.00 H ATOM 1544 N LEU B 149 -2.697 23.901 -16.048 1.00 24.04 N ATOM 1545 CA LEU B 149 -2.984 22.511 -16.358 1.00 22.91 C ATOM 1546 C LEU B 149 -4.468 22.321 -16.641 1.00 27.68 C ATOM 1547 O LEU B 149 -5.331 22.997 -16.066 1.00 26.59 O ATOM 1548 CB LEU B 149 -2.547 21.584 -15.216 1.00 22.50 C ATOM 1549 CG LEU B 149 -1.098 21.642 -14.737 1.00 22.83 C ATOM 1550 CD1 LEU B 149 -0.859 20.536 -13.720 1.00 23.39 C ATOM 1551 CD2 LEU B 149 -0.168 21.503 -15.940 1.00 25.22 C ATOM 1552 H LEU B 149 -3.084 24.309 -15.173 1.00 0.00 H ATOM 1553 N TYR B 150 -4.746 21.389 -17.553 1.00 26.34 N ATOM 1554 CA TYR B 150 -6.091 21.080 -18.001 1.00 28.03 C ATOM 1555 C TYR B 150 -6.715 19.985 -17.148 1.00 24.99 C ATOM 1556 O TYR B 150 -6.060 18.993 -16.826 1.00 30.00 O ATOM 1557 CB TYR B 150 -6.010 20.630 -19.466 1.00 28.19 C ATOM 1558 CG TYR B 150 -7.277 20.050 -20.060 1.00 28.29 C ATOM 1559 CD1 TYR B 150 -7.549 18.686 -19.978 1.00 30.28 C ATOM 1560 CD2 TYR B 150 -8.193 20.861 -20.701 1.00 34.75 C ATOM 1561 CE1 TYR B 150 -8.704 18.146 -20.552 1.00 34.09 C ATOM 1562 CE2 TYR B 150 -9.349 20.336 -21.264 1.00 34.74 C ATOM 1563 CZ TYR B 150 -9.604 18.984 -21.176 1.00 36.01 C ATOM 1564 OH TYR B 150 -10.753 18.474 -21.740 1.00 38.30 O ATOM 1565 HH TYR B 150 -10.753 18.661 -22.712 1.00 0.00 H ATOM 1566 H TYR B 150 -3.955 20.854 -17.966 1.00 0.00 H ATOM 1567 N GLY B 151 -8.001 20.147 -16.815 1.00 27.06 N ATOM 1568 CA GLY B 151 -8.743 19.031 -16.258 1.00 28.97 C ATOM 1569 C GLY B 151 -9.563 19.255 -15.003 1.00 29.91 C ATOM 1570 O GLY B 151 -10.078 18.284 -14.437 1.00 31.11 O ATOM 1571 H GLY B 151 -8.466 21.067 -16.954 1.00 0.00 H ATOM 1572 N ASN B 152 -9.692 20.501 -14.549 1.00 30.50 N ATOM 1573 CA ASN B 152 -10.657 20.855 -13.514 1.00 27.89 C ATOM 1574 C ASN B 152 -11.580 21.921 -14.078 1.00 30.06 C ATOM 1575 O ASN B 152 -11.134 23.028 -14.388 1.00 32.04 O ATOM 1576 CB ASN B 152 -9.987 21.364 -12.238 1.00 28.19 C ATOM 1577 CG ASN B 152 -10.947 21.392 -11.073 1.00 30.64 C ATOM 1578 OD1 ASN B 152 -11.959 20.674 -11.063 1.00 31.36 O ATOM 1579 ND2 ASN B 152 -10.638 22.209 -10.062 1.00 31.39 N ATOM 1580 HD22 ASN B 152 -9.780 22.794 -10.110 1.00 0.00 H ATOM 1581 HD21 ASN B 152 -11.256 22.259 -9.227 1.00 0.00 H ATOM 1582 H ASN B 152 -9.084 21.246 -14.946 1.00 0.00 H ATOM 1583 N GLY B 153 -12.857 21.591 -14.208 1.00 32.03 N ATOM 1584 CA GLY B 153 -13.770 22.497 -14.879 1.00 32.15 C ATOM 1585 C GLY B 153 -15.227 22.146 -14.679 1.00 33.47 C ATOM 1586 O GLY B 153 -15.618 21.707 -13.598 1.00 36.76 O ATOM 1587 H GLY B 153 -13.203 20.686 -13.830 1.00 0.00 H ATOM 1588 N VAL B 154 -16.041 22.327 -15.727 1.00 34.88 N ATOM 1589 CA VAL B 154 -17.484 22.148 -15.645 1.00 36.14 C ATOM 1590 C VAL B 154 -17.969 21.435 -16.900 1.00 43.39 C ATOM 1591 O VAL B 154 -17.407 21.604 -17.986 1.00 42.81 O ATOM 1592 CB VAL B 154 -18.238 23.493 -15.517 1.00 48.58 C ATOM 1593 CG1 VAL B 154 -18.105 24.064 -14.136 1.00 49.10 C ATOM 1594 CG2 VAL B 154 -17.749 24.482 -16.576 1.00 49.58 C ATOM 1595 H VAL B 154 -15.625 22.607 -16.638 1.00 0.00 H ATOM 1596 N VAL B 155 -19.026 20.640 -16.744 1.00 45.47 N ATOM 1597 CA VAL B 155 -19.831 20.185 -17.873 1.00 47.74 C ATOM 1598 C VAL B 155 -20.958 21.186 -18.063 1.00 52.71 C ATOM 1599 O VAL B 155 -21.679 21.507 -17.112 1.00 51.15 O ATOM 1600 CB VAL B 155 -20.383 18.771 -17.628 1.00 51.41 C ATOM 1601 CG1 VAL B 155 -21.349 18.366 -18.751 1.00 59.88 C ATOM 1602 CG2 VAL B 155 -19.246 17.763 -17.491 1.00 54.68 C ATOM 1603 H VAL B 155 -19.287 20.333 -15.785 1.00 0.00 H ATOM 1604 N ILE B 156 -21.119 21.686 -19.282 1.00 54.59 N ATOM 1605 CA ILE B 156 -22.158 22.647 -19.567 1.00 63.53 C ATOM 1606 C ILE B 156 -23.312 21.929 -20.256 1.00 65.65 C ATOM 1607 O ILE B 156 -23.227 20.749 -20.589 1.00 66.70 O ATOM 1608 CB ILE B 156 -21.632 23.846 -20.394 1.00 65.55 C ATOM 1609 CG1 ILE B 156 -21.180 23.405 -21.784 1.00 70.12 C ATOM 1610 CG2 ILE B 156 -20.489 24.527 -19.657 1.00 57.81 C ATOM 1611 CD1 ILE B 156 -20.794 24.567 -22.684 1.00 71.06 C ATOM 1612 H ILE B 156 -20.484 21.379 -20.047 1.00 0.00 H ATOM 1613 N LYS B 157 -24.416 22.653 -20.464 1.00 71.85 N ATOM 1614 CA LYS B 157 -25.673 22.031 -20.882 1.00 74.25 C ATOM 1615 C LYS B 157 -25.511 21.195 -22.143 1.00 79.84 C ATOM 1616 O LYS B 157 -26.048 20.085 -22.240 1.00 81.17 O ATOM 1617 CB LYS B 157 -26.733 23.103 -21.120 1.00 75.31 C ATOM 1618 CG LYS B 157 -26.790 24.205 -20.088 1.00 71.74 C ATOM 1619 CD LYS B 157 -28.194 24.786 -20.053 1.00 79.64 C ATOM 1620 CE LYS B 157 -28.193 26.255 -19.674 1.00 80.00 C ATOM 1621 NZ LYS B 157 -29.417 26.940 -20.177 1.00 87.16 N ATOM 1622 HZ1 LYS B 157 -29.454 26.863 -21.214 1.00 0.00 H ATOM 1623 HZ2 LYS B 157 -30.259 26.490 -19.764 1.00 0.00 H ATOM 1624 HZ3 LYS B 157 -29.389 27.943 -19.903 1.00 0.00 H ATOM 1625 H LYS B 157 -24.381 23.683 -20.325 1.00 0.00 H ATOM 1626 N ASN B 158 -24.761 21.709 -23.114 1.00 80.67 N ATOM 1627 CA ASN B 158 -24.621 21.095 -24.428 1.00 84.21 C ATOM 1628 C ASN B 158 -23.834 19.790 -24.354 1.00 82.88 C ATOM 1629 O ASN B 158 -23.386 19.267 -25.381 1.00 83.84 O ATOM 1630 CB ASN B 158 -23.941 22.085 -25.378 1.00 85.68 C ATOM 1631 CG ASN B 158 -23.757 23.464 -24.748 1.00 86.67 C ATOM 1632 OD1 ASN B 158 -24.327 23.760 -23.695 1.00 87.72 O ATOM 1633 ND2 ASN B 158 -22.955 24.309 -25.388 1.00 85.07 N ATOM 1634 HD22 ASN B 158 -22.494 24.018 -26.274 1.00 0.00 H ATOM 1635 HD21 ASN B 158 -22.789 25.261 -25.003 1.00 0.00 H ATOM 1636 H ASN B 158 -24.248 22.594 -22.926 1.00 0.00 H ATOM 1637 N GLY B 159 -23.668 19.258 -23.141 1.00 75.93 N ATOM 1638 CA GLY B 159 -22.895 18.062 -22.901 1.00 71.35 C ATOM 1639 C GLY B 159 -21.398 18.264 -22.883 1.00 66.82 C ATOM 1640 O GLY B 159 -20.674 17.368 -22.428 1.00 66.91 O ATOM 1641 H GLY B 159 -24.117 19.728 -22.329 1.00 0.00 H ATOM 1642 N SER B 160 -20.908 19.409 -23.346 1.00 59.67 N ATOM 1643 CA SER B 160 -19.486 19.584 -23.560 1.00 54.87 C ATOM 1644 C SER B 160 -18.785 19.882 -22.242 1.00 49.93 C ATOM 1645 O SER B 160 -19.405 20.109 -21.202 1.00 52.91 O ATOM 1646 CB SER B 160 -19.215 20.711 -24.554 1.00 62.40 C ATOM 1647 OG SER B 160 -19.798 21.923 -24.112 1.00 64.16 O ATOM 1648 HG SER B 160 -19.610 22.638 -24.771 1.00 0.00 H ATOM 1649 H SER B 160 -21.557 20.193 -23.559 1.00 0.00 H ATOM 1650 N TYR B 161 -17.467 19.901 -22.312 1.00 44.52 N ATOM 1651 CA TYR B 161 -16.625 20.117 -21.151 1.00 42.02 C ATOM 1652 C TYR B 161 -15.864 21.423 -21.326 1.00 46.73 C ATOM 1653 O TYR B 161 -15.395 21.734 -22.425 1.00 46.45 O ATOM 1654 CB TYR B 161 -15.670 18.943 -20.982 1.00 43.84 C ATOM 1655 CG TYR B 161 -14.761 19.052 -19.793 1.00 44.00 C ATOM 1656 CD1 TYR B 161 -15.245 18.836 -18.513 1.00 46.10 C ATOM 1657 CD2 TYR B 161 -13.413 19.349 -19.950 1.00 40.26 C ATOM 1658 CE1 TYR B 161 -14.416 18.927 -17.423 1.00 38.94 C ATOM 1659 CE2 TYR B 161 -12.576 19.445 -18.861 1.00 39.21 C ATOM 1660 CZ TYR B 161 -13.084 19.230 -17.599 1.00 39.11 C ATOM 1661 OH TYR B 161 -12.254 19.317 -16.502 1.00 39.19 O ATOM 1662 HH TYR B 161 -12.775 19.136 -15.680 1.00 0.00 H ATOM 1663 H TYR B 161 -17.014 19.755 -23.237 1.00 0.00 H ATOM 1664 N VAL B 162 -15.756 22.195 -20.247 1.00 41.75 N ATOM 1665 CA VAL B 162 -14.961 23.418 -20.237 1.00 35.62 C ATOM 1666 C VAL B 162 -14.028 23.354 -19.037 1.00 30.91 C ATOM 1667 O VAL B 162 -14.487 23.235 -17.892 1.00 35.02 O ATOM 1668 CB VAL B 162 -15.828 24.686 -20.179 1.00 37.61 C ATOM 1669 CG1 VAL B 162 -14.939 25.925 -20.246 1.00 35.59 C ATOM 1670 CG2 VAL B 162 -16.857 24.693 -21.325 1.00 40.26 C ATOM 1671 H VAL B 162 -16.257 21.916 -19.379 1.00 0.00 H ATOM 1672 N SER B 163 -12.728 23.450 -19.293 1.00 31.03 N ATOM 1673 CA SER B 163 -11.715 23.311 -18.257 1.00 30.77 C ATOM 1674 C SER B 163 -11.177 24.674 -17.852 1.00 28.35 C ATOM 1675 O SER B 163 -10.880 25.509 -18.705 1.00 34.04 O ATOM 1676 CB SER B 163 -10.554 22.452 -18.759 1.00 30.65 C ATOM 1677 OG SER B 163 -9.533 22.400 -17.764 1.00 32.36 O ATOM 1678 HG SER B 163 -9.209 23.317 -17.578 1.00 0.00 H ATOM 1679 H SER B 163 -12.423 23.631 -20.270 1.00 0.00 H ATOM 1680 N ALA B 164 -11.002 24.889 -16.553 1.00 29.61 N ATOM 1681 CA ALA B 164 -10.227 26.048 -16.137 1.00 26.76 C ATOM 1682 C ALA B 164 -8.784 25.904 -16.610 1.00 29.07 C ATOM 1683 O ALA B 164 -8.276 24.795 -16.808 1.00 29.79 O ATOM 1684 CB ALA B 164 -10.248 26.201 -14.613 1.00 28.70 C ATOM 1685 H ALA B 164 -11.410 24.243 -15.848 1.00 0.00 H ATOM 1686 N ILE B 165 -8.115 27.038 -16.791 1.00 27.83 N ATOM 1687 CA ILE B 165 -6.662 27.056 -16.919 1.00 27.90 C ATOM 1688 C ILE B 165 -6.134 27.183 -15.492 1.00 26.81 C ATOM 1689 O ILE B 165 -6.075 28.280 -14.931 1.00 30.22 O ATOM 1690 CB ILE B 165 -6.173 28.192 -17.820 1.00 30.30 C ATOM 1691 CG1 ILE B 165 -6.796 28.093 -19.215 1.00 29.37 C ATOM 1692 CG2 ILE B 165 -4.634 28.164 -17.925 1.00 31.87 C ATOM 1693 CD1 ILE B 165 -6.278 29.188 -20.152 1.00 34.77 C ATOM 1694 H ILE B 165 -8.640 27.934 -16.843 1.00 0.00 H ATOM 1695 N THR B 166 -5.804 26.051 -14.869 1.00 24.25 N ATOM 1696 CA THR B 166 -5.469 26.047 -13.450 1.00 25.10 C ATOM 1697 C THR B 166 -3.969 26.232 -13.287 1.00 25.93 C ATOM 1698 O THR B 166 -3.191 25.374 -13.716 1.00 25.83 O ATOM 1699 CB THR B 166 -5.903 24.745 -12.778 1.00 26.41 C ATOM 1700 OG1 THR B 166 -7.331 24.600 -12.861 1.00 27.77 O ATOM 1701 CG2 THR B 166 -5.469 24.745 -11.295 1.00 25.68 C ATOM 1702 HG1 THR B 166 -7.605 24.583 -13.812 1.00 0.00 H ATOM 1703 H THR B 166 -5.785 25.159 -15.403 1.00 0.00 H ATOM 1704 N GLN B 167 -3.567 27.321 -12.636 1.00 25.24 N ATOM 1705 CA GLN B 167 -2.159 27.623 -12.410 1.00 24.71 C ATOM 1706 C GLN B 167 -1.884 27.772 -10.921 1.00 26.24 C ATOM 1707 O GLN B 167 -2.711 28.301 -10.161 1.00 28.24 O ATOM 1708 CB GLN B 167 -1.741 28.905 -13.171 1.00 27.61 C ATOM 1709 CG GLN B 167 -0.246 29.271 -13.062 1.00 28.92 C ATOM 1710 CD GLN B 167 0.685 28.194 -13.600 1.00 29.77 C ATOM 1711 OE1 GLN B 167 0.804 27.112 -13.025 1.00 27.69 O ATOM 1712 NE2 GLN B 167 1.346 28.483 -14.730 1.00 27.23 N ATOM 1713 HE22 GLN B 167 1.218 29.409 -15.185 1.00 0.00 H ATOM 1714 HE21 GLN B 167 1.987 27.781 -15.152 1.00 0.00 H ATOM 1715 H GLN B 167 -4.285 27.981 -12.275 1.00 0.00 H ATOM 1716 N GLY B 168 -0.712 27.307 -10.497 1.00 25.08 N ATOM 1717 CA GLY B 168 -0.288 27.457 -9.122 1.00 26.64 C ATOM 1718 C GLY B 168 0.441 28.766 -8.887 1.00 35.83 C ATOM 1719 O GLY B 168 0.439 29.678 -9.716 1.00 39.67 O ATOM 1720 H GLY B 168 -0.085 26.823 -11.171 1.00 0.00 H ATOM 1721 N LYS B 169 1.075 28.846 -7.723 1.00 39.43 N ATOM 1722 CA LYS B 169 1.891 29.986 -7.324 1.00 41.73 C ATOM 1723 C LYS B 169 3.326 29.518 -7.125 1.00 43.46 C ATOM 1724 O LYS B 169 3.566 28.539 -6.412 1.00 45.21 O ATOM 1725 CB LYS B 169 1.356 30.616 -6.031 1.00 43.91 C ATOM 1726 H LYS B 169 0.984 28.051 -7.059 1.00 0.00 H ATOM 1727 N ARG B 170 4.280 30.214 -7.744 1.00 44.14 N ATOM 1728 CA ARG B 170 5.695 29.917 -7.537 1.00 49.51 C ATOM 1729 C ARG B 170 6.209 30.802 -6.406 1.00 54.76 C ATOM 1730 O ARG B 170 6.302 32.025 -6.558 1.00 59.49 O ATOM 1731 CB ARG B 170 6.503 30.124 -8.817 1.00 50.64 C ATOM 1732 CG ARG B 170 7.986 29.779 -8.654 1.00 54.68 C ATOM 1733 CD ARG B 170 8.836 30.236 -9.839 1.00 54.89 C ATOM 1734 NE ARG B 170 10.240 29.867 -9.655 1.00 56.50 N ATOM 1735 CZ ARG B 170 10.896 28.987 -10.409 1.00 52.39 C ATOM 1736 NH1 ARG B 170 10.285 28.387 -11.422 1.00 44.66 N ATOM 1737 NH2 ARG B 170 12.171 28.716 -10.157 1.00 55.02 N ATOM 1738 HE ARG B 170 10.762 30.324 -8.881 1.00 0.00 H ATOM 1739 HH12 ARG B 170 10.802 27.700 -12.008 1.00 0.00 H ATOM 1740 HH11 ARG B 170 9.289 28.603 -11.630 1.00 0.00 H ATOM 1741 HH22 ARG B 170 12.683 28.029 -10.746 1.00 0.00 H ATOM 1742 HH21 ARG B 170 12.658 29.191 -9.370 1.00 0.00 H ATOM 1743 H ARG B 170 4.011 30.985 -8.388 1.00 0.00 H ATOM 1744 N GLU B 171 6.532 30.188 -5.270 1.00 52.69 N ATOM 1745 CA GLU B 171 7.028 30.925 -4.113 1.00 56.28 C ATOM 1746 C GLU B 171 8.482 31.338 -4.311 1.00 52.94 C ATOM 1747 O GLU B 171 9.111 31.883 -3.402 1.00 66.45 O ATOM 1748 CB GLU B 171 6.889 30.087 -2.839 1.00 57.99 C ATOM 1749 H GLU B 171 6.428 29.155 -5.206 1.00 0.00 H TER 1750 GLU B 171 HETATM 1751 O HOH 1 -18.064 19.749 -4.192 1.00 60.48 O HETATM 1752 O HOH 2 -18.230 20.681 -11.979 1.00 51.34 O HETATM 1753 O HOH 3 -13.289 20.170 3.087 1.00 43.12 O HETATM 1754 O HOH 4 3.962 11.220 -27.300 1.00 43.87 O HETATM 1755 O HOH 5 0.281 18.206 -32.794 1.00 42.93 O HETATM 1756 O HOH 6 -14.260 29.604 -3.321 1.00 47.52 O HETATM 1757 O HOH 7 4.831 7.815 -23.390 1.00 55.17 O HETATM 1758 O HOH 8 6.004 24.456 -35.057 1.00 56.81 O HETATM 1759 O HOH 9 -15.697 18.494 -10.217 1.00 42.86 O HETATM 1760 O HOH 10 -18.958 24.534 -6.664 1.00 39.96 O HETATM 1761 O HOH 11 8.343 4.926 -14.645 1.00 52.26 O HETATM 1762 O HOH 12 -13.074 18.840 0.641 1.00 49.11 O HETATM 1763 O HOH 13 -17.911 32.498 -7.431 1.00 46.45 O HETATM 1764 O HOH 14 9.785 20.284 -22.624 1.00 52.91 O HETATM 1765 O HOH 15 -13.152 22.479 6.470 1.00 42.65 O HETATM 1766 O HOH 16 7.677 15.814 -28.158 1.00 34.89 O HETATM 1767 O HOH 17 2.984 1.712 -19.436 1.00 51.68 O HETATM 1768 O HOH 18 9.873 7.713 -16.057 1.00 50.66 O HETATM 1769 O HOH 19 -16.466 30.668 -5.839 1.00 44.24 O HETATM 1770 O HOH 20 7.676 26.505 -27.778 1.00 46.58 O HETATM 1771 O HOH 21 6.479 13.573 -28.345 1.00 45.77 O HETATM 1772 O HOH 22 -19.970 22.170 -6.235 1.00 59.68 O HETATM 1773 O HOH 23 -17.500 25.047 -0.036 1.00 50.96 O HETATM 1774 O HOH 24 5.954 21.283 -31.824 1.00 59.69 O HETATM 1775 O HOH 25 8.273 6.734 -22.009 1.00 50.22 O HETATM 1776 O HOH 26 -18.027 23.657 2.190 1.00 58.78 O HETATM 1777 O HOH 27 2.442 12.802 -33.658 1.00 62.81 O HETATM 1778 O HOH 28 7.659 23.299 -18.913 1.00 50.64 O HETATM 1779 O HOH 29 -5.893 25.148 1.360 1.00 35.65 O HETATM 1780 O HOH 30 13.004 18.858 -14.935 1.00 39.64 O HETATM 1781 O HOH 31 -17.772 15.634 -22.242 1.00 53.41 O HETATM 1782 O HOH 32 7.729 25.105 -21.208 1.00 48.18 O HETATM 1783 O HOH 33 -7.883 12.697 -29.509 1.00 51.87 O HETATM 1784 O HOH 34 10.203 7.895 -18.855 1.00 55.38 O HETATM 1785 O HOH 35 -3.933 10.041 -0.877 1.00 46.47 O HETATM 1786 O HOH 36 6.347 27.349 -5.407 1.00 41.03 O HETATM 1787 O HOH 37 -14.575 20.831 -11.114 1.00 32.29 O HETATM 1788 O HOH 38 1.176 5.673 -6.174 1.00 48.44 O HETATM 1789 O HOH 39 -4.318 27.655 -8.149 1.00 50.55 O HETATM 1790 O HOH 40 -13.747 31.477 -5.535 1.00 52.93 O HETATM 1791 O HOH 41 -2.791 31.250 -16.470 1.00 35.95 O HETATM 1792 O HOH 42 -3.833 7.743 -5.360 1.00 50.85 O HETATM 1793 O HOH 43 1.333 34.003 -21.420 1.00 44.39 O HETATM 1794 O HOH 44 -7.799 22.874 -14.924 1.00 26.31 O HETATM 1795 O HOH 45 2.542 26.741 -4.635 1.00 43.32 O HETATM 1796 O HOH 46 -5.171 30.821 -15.338 1.00 45.32 O HETATM 1797 O HOH 47 5.257 28.470 -16.376 1.00 31.44 O HETATM 1798 O HOH 48 -9.311 8.351 -20.069 1.00 52.73 O HETATM 1799 O HOH 49 -9.124 18.547 -5.966 1.00 30.57 O HETATM 1800 O HOH 50 -11.264 27.432 -25.548 1.00 39.08 O HETATM 1801 O HOH 51 -4.419 35.457 -16.494 1.00 47.19 O HETATM 1802 O HOH 52 -4.334 -0.539 -14.505 1.00 45.94 O HETATM 1803 O HOH 53 6.775 26.809 -18.171 1.00 42.03 O HETATM 1804 O HOH 54 0.610 37.088 -19.010 1.00 58.46 O HETATM 1805 O HOH 55 -8.451 24.150 -10.290 1.00 36.80 O HETATM 1806 O HOH 56 -11.463 35.508 -24.271 1.00 44.61 O HETATM 1807 O HOH 57 -13.639 27.202 0.242 1.00 47.30 O HETATM 1808 O HOH 58 15.548 18.623 -18.905 1.00 50.72 O HETATM 1809 O HOH 59 -18.043 29.903 -3.616 1.00 53.86 O HETATM 1810 O HOH 60 3.930 32.624 -9.229 1.00 60.97 O HETATM 1811 O HOH 61 -0.635 32.681 -25.596 1.00 51.14 O HETATM 1812 O HOH 62 11.362 27.447 -6.506 1.00 50.19 O HETATM 1813 O HOH 63 -5.393 3.956 -20.329 1.00 50.39 O HETATM 1814 O HOH 64 0.815 33.012 -12.641 1.00 46.03 O HETATM 1815 O HOH 65 -5.760 29.102 -11.999 1.00 44.38 O HETATM 1816 O HOH 66 -1.447 5.431 -22.107 1.00 41.50 O HETATM 1817 O HOH 67 -12.610 18.989 -27.945 1.00 43.77 O HETATM 1818 O HOH 68 8.795 21.697 -18.845 1.00 42.30 O HETATM 1819 O HOH 69 4.227 8.709 -25.946 1.00 52.95 O HETATM 1820 O HOH 70 -6.223 32.949 -16.354 1.00 44.95 O HETATM 1821 O HOH 71 10.935 13.381 -4.505 1.00 56.36 O HETATM 1822 O HOH 72 4.660 25.090 -3.939 1.00 30.79 O HETATM 1823 O HOH 73 -19.739 19.852 -13.969 1.00 49.79 O HETATM 1824 O HOH 74 0.000 14.139 0.000 1.00 43.49 O HETATM 1825 O HOH 75 3.283 35.086 -18.001 1.00 52.00 O HETATM 1826 O HOH 76 -9.244 25.558 -8.479 1.00 44.48 O HETATM 1827 O HOH 77 -9.795 29.796 -0.182 1.00 72.94 O HETATM 1828 O HOH 78 -9.931 39.141 -12.334 1.00 58.88 O HETATM 1829 O HOH 79 -0.967 33.849 -22.947 1.00 38.94 O HETATM 1830 O HOH 80 -9.702 37.168 -25.110 1.00 60.86 O HETATM 1831 O HOH 81 -4.471 34.984 -30.876 1.00 50.61 O HETATM 1832 O HOH 82 -2.052 31.394 -10.246 1.00 55.50 O HETATM 1833 O HOH 83 -10.529 40.315 -14.321 1.00 61.48 O HETATM 1834 O HOH 84 12.597 19.082 -22.817 1.00 52.47 O HETATM 1835 O HOH 85 -0.831 28.017 -2.231 1.00 53.90 O HETATM 1836 O HOH 86 -13.627 9.977 -19.960 1.00 52.51 O HETATM 1837 O HOH 87 -6.614 27.214 -1.772 1.00 40.97 O HETATM 1838 O HOH 88 -19.412 34.836 -10.087 1.00 62.24 O HETATM 1839 O HOH 89 -1.539 26.255 -0.925 1.00 40.27 O HETATM 1840 O HOH 90 -11.583 13.456 -27.454 1.00 53.79 O HETATM 1841 O HOH 91 8.509 26.195 -0.707 1.00 42.54 O HETATM 1842 O HOH 92 -3.248 3.592 -21.819 1.00 43.57 O HETATM 1843 O HOH 93 -2.039 32.506 -13.868 1.00 42.35 O HETATM 1844 O HOH 94 -3.595 -7.517 -14.191 1.00 54.52 O HETATM 1845 O HOH 95 0.000 16.448 0.000 1.00 44.77 O HETATM 1846 O HOH 96 -9.046 12.119 -27.365 1.00 49.07 O HETATM 1847 O HOH 97 -10.587 15.327 -1.592 1.00 59.65 O HETATM 1848 O HOH 98 -9.445 9.445 -26.952 1.00 49.45 O HETATM 1849 N UNN A 99 -14.054 16.828 -13.399 1.00 -0.27 N HETATM 1850 CA UNN A 99 -12.611 16.566 -13.368 1.00 0.13 C HETATM 1851 C UNN A 99 -12.256 15.558 -14.465 1.00 0.20 C HETATM 1852 O UNN A 99 -12.941 14.555 -14.653 1.00 -0.39 O HETATM 1853 NAM UNN A 99 -11.186 15.869 -15.206 1.00 -0.27 N HETATM 1854 CAN UNN A 99 -10.715 14.973 -16.268 1.00 0.11 C HETATM 1855 CAO UNN A 99 -9.345 14.443 -15.820 1.00 0.12 C HETATM 1856 OAX UNN A 99 -9.266 13.814 -14.747 1.00 -0.37 O HETATM 1857 H7 UNN A 99 -8.459 14.614 -16.429 1.00 0.14 H HETATM 1858 CAQ UNN A 99 -10.628 15.696 -17.620 1.00 -0.01 C HETATM 1859 CAR UNN A 99 -12.041 16.024 -18.126 1.00 -0.02 C HETATM 1860 CAS UNN A 99 -12.778 14.731 -18.484 1.00 0.06 C HETATM 1861 NAT UNN A 99 -14.220 15.000 -18.587 1.00 -0.27 N HETATM 1862 CAU UNN A 99 -14.824 15.381 -19.718 1.00 0.29 C HETATM 1863 NAV UNN A 99 -16.147 15.608 -19.727 1.00 -0.28 N HETATM 1864 H16 UNN A 99 -16.613 15.901 -20.597 1.00 0.26 H HETATM 1865 H17 UNN A 99 -16.696 15.489 -18.864 1.00 0.26 H HETATM 1866 NAW UNN A 99 -14.105 15.539 -20.841 1.00 -0.28 N HETATM 1867 H18 UNN A 99 -13.090 15.364 -20.831 1.00 0.26 H HETATM 1868 H19 UNN A 99 -14.569 15.835 -21.712 1.00 0.26 H HETATM 1869 H15 UNN A 99 -14.797 14.889 -17.741 1.00 0.26 H HETATM 1870 H12 UNN A 99 -12.601 13.979 -17.701 1.00 0.07 H HETATM 1871 H13 UNN A 99 -12.406 14.352 -19.447 1.00 0.07 H HETATM 1872 H10 UNN A 99 -11.970 16.663 -19.019 1.00 0.03 H HETATM 1873 H11 UNN A 99 -12.597 16.555 -17.339 1.00 0.03 H HETATM 1874 H8 UNN A 99 -10.120 15.047 -18.349 1.00 0.03 H HETATM 1875 H9 UNN A 99 -10.058 16.629 -17.499 1.00 0.03 H HETATM 1876 H6 UNN A 99 -11.415 14.131 -16.370 1.00 0.08 H HETATM 1877 H14 UNN A 99 -10.700 16.726 -15.033 1.00 0.19 H HETATM 1878 CB UNN A 99 -12.202 16.094 -11.955 1.00 -0.01 C HETATM 1879 CG UNN A 99 -11.980 17.348 -11.092 1.00 -0.04 C HETATM 1880 CD UNN A 99 -11.994 17.028 -9.595 1.00 -0.01 C HETATM 1881 CE UNN A 99 -11.700 18.306 -8.802 1.00 -0.04 C HETATM 1882 NZ UNN A 99 -11.808 18.049 -7.352 1.00 0.22 N HETATM 1883 H28 UNN A 99 -11.612 18.898 -6.845 1.00 0.20 H HETATM 1884 H29 UNN A 99 -11.145 17.338 -7.086 1.00 0.20 H HETATM 1885 H30 UNN A 99 -12.741 17.736 -7.135 1.00 0.20 H HETATM 1886 H26 UNN A 99 -12.424 19.084 -9.087 1.00 0.08 H HETATM 1887 H27 UNN A 99 -10.681 18.650 -9.034 1.00 0.08 H HETATM 1888 H24 UNN A 99 -11.226 16.273 -9.373 1.00 0.03 H HETATM 1889 H25 UNN A 99 -12.983 16.639 -9.312 1.00 0.03 H HETATM 1890 H22 UNN A 99 -12.779 18.072 -11.307 1.00 0.03 H HETATM 1891 H23 UNN A 99 -11.006 17.789 -11.351 1.00 0.03 H HETATM 1892 H20 UNN A 99 -11.273 15.507 -12.010 1.00 0.03 H HETATM 1893 H21 UNN A 99 -13.001 15.476 -11.520 1.00 0.03 H HETATM 1894 H2 UNN A 99 -12.077 17.504 -13.581 1.00 0.08 H HETATM 1895 CAB UNN A 99 -14.488 18.008 -13.833 1.00 0.18 C HETATM 1896 CAA UNN A 99 -16.008 18.203 -13.813 1.00 0.03 C HETATM 1897 H3 UNN A 99 -16.254 19.207 -14.190 1.00 0.05 H HETATM 1898 H4 UNN A 99 -16.378 18.098 -12.782 1.00 0.05 H HETATM 1899 H5 UNN A 99 -16.483 17.445 -14.452 1.00 0.05 H HETATM 1900 OAC UNN A 99 -13.731 18.886 -14.242 1.00 -0.40 O HETATM 1901 H1 UNN A 99 -14.703 16.129 -13.098 1.00 0.19 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 350 351 354 355 356 CONECT 354 350 CONECT 355 350 CONECT 356 350 CONECT 1849 1850 1895 1901 CONECT 1850 1849 1851 1878 1894 CONECT 1851 1850 1852 1853 CONECT 1852 1851 CONECT 1853 1851 1854 1877 CONECT 1854 1853 1855 1858 1876 CONECT 1855 1854 1856 1857 CONECT 1856 1855 CONECT 1857 1855 CONECT 1858 1854 1859 1874 1875 CONECT 1859 1858 1860 1872 1873 CONECT 1860 1859 1861 1870 1871 CONECT 1861 1860 1862 1869 CONECT 1862 1861 1863 1866 CONECT 1863 1862 1864 1865 CONECT 1864 1863 CONECT 1865 1863 CONECT 1866 1862 1867 1868 CONECT 1867 1866 CONECT 1868 1866 CONECT 1869 1861 CONECT 1870 1860 CONECT 1871 1860 CONECT 1872 1859 CONECT 1873 1859 CONECT 1874 1858 CONECT 1875 1858 CONECT 1876 1854 CONECT 1877 1853 CONECT 1878 1850 1879 1892 1893 CONECT 1879 1878 1880 1890 1891 CONECT 1880 1879 1881 1888 1889 CONECT 1881 1880 1882 1886 1887 CONECT 1882 1881 1883 1884 1885 CONECT 1883 1882 CONECT 1884 1882 CONECT 1885 1882 CONECT 1886 1881 CONECT 1887 1881 CONECT 1888 1880 CONECT 1889 1880 CONECT 1890 1879 CONECT 1891 1879 CONECT 1892 1878 CONECT 1893 1878 CONECT 1894 1850 CONECT 1895 1849 1896 1900 CONECT 1896 1895 1897 1898 1899 CONECT 1897 1896 CONECT 1898 1896 CONECT 1899 1896 CONECT 1900 1895 CONECT 1901 1849 MASTER 0 0 0 0 0 0 0 0 1899 2 61 15 END
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Structure:
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Related entries of code: 5yof
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5h6v
RCSB PDB
PDBbind
52aa, >5H6V_1|Chain... at 100%
5zmq
RCSB PDB
PDBbind
53aa, >5ZMQ_1|Chains... at 100%
5zms
RCSB PDB
PDBbind
53aa, >5ZMS_1|Chains... at 100%
5zob
RCSB PDB
PDBbind
53aa, >5ZOB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5h6v
RCSB PDB
PDBbind
7HS
Entry Information
PDB ID
5yof
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
bZiPro
Ligand Name
7HS
EC.Number
E.C.-.-.-.-
Resolution
1.51(Å)
Affinity (Kd/Ki/IC50)
IC50=1.5uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Structure Vol. 26: pp. 555-564.e3
Ligand Properties
Formula
C
1
4
H
3
0
N
6
O
3
Molecular Weight
330.426
Exact Mass
330.238
No. of atoms
53
No. of bonds
52
Polar Surface Area
168.92
LOGP Value
-0.11 (
Computed with XLOGP3
)
-2.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
Canonical SMILES
O=C[C@@H](NC(=O)[C@@H](NC(=O)C)CCCC[NH3+])CCC[NH+]=C(N)N
InChI String
InChI=1S/C14H28N6O3/c1-10(22)19-12(6-2-3-7-15)13(23)20-11(9-21)5-4-8-18-14(16)17/h9,11-12H,2-8,15H2,1H3,(H,19,22)(H,20,23)(H4,16,17,18)/p+2/t11-,12-/m0/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):
Q32ZE1
Entrez Gene ID
NCBI Entrez Gene ID:
7751225
ASD
Information of known allosteric effects of PDB entries
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