Browse entries in the PDBbind-CN Database
HEADER 5K48_COMPLEX COMPND 5K48_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 231 GLU TYR PRO THR VAL SER GLU ILE PRO VAL GLY GLU VAL SEQRES 2 A 231 ARG LEU TYR GLN ILE ALA ASP GLY VAL TRP SER HIS ILE SEQRES 3 A 231 ALA THR GLN SER PHE ASP GLY ALA VAL TYR PRO SER ASN SEQRES 4 A 231 GLY LEU ILE VAL ARG ASP GLY ASP GLU LEU LEU LEU ILE SEQRES 5 A 231 ASP THR ALA TRP GLY ALA LYS ASN THR ALA ALA LEU LEU SEQRES 6 A 231 ALA GLU ILE GLU LYS GLN ILE GLY LEU PRO VAL THR ARG SEQRES 7 A 231 ALA VAL SER THR HIS PHE HIS ASP ASP ARG VAL GLY GLY SEQRES 8 A 231 VAL ASP VAL LEU ARG ALA ALA GLY VAL ALA THR TYR ALA SEQRES 9 A 231 SER PRO SER THR ARG ARG LEU ALA GLU VAL GLU GLY ASN SEQRES 10 A 231 GLU ILE PRO THR HIS SER LEU GLU GLY LEU SER SER SER SEQRES 11 A 231 GLY ASP ALA VAL ARG PHE GLY PRO VAL GLU LEU PHE TYR SEQRES 12 A 231 PRO GLY ALA ALA HIS SER THR ASP ASN LEU VAL VAL TYR SEQRES 13 A 231 VAL PRO SER ALA SER VAL LEU TYR GLY GLY CYS ALA ILE SEQRES 14 A 231 TYR GLU LEU SER ARG THR SER ALA GLY ASN VAL ALA ASP SEQRES 15 A 231 ALA ASP LEU ALA GLU TRP PRO THR SER ILE GLU ARG ILE SEQRES 16 A 231 GLN GLN HIS TYR PRO GLU ALA GLN PHE VAL ILE PRO GLY SEQRES 17 A 231 HIS GLY LEU PRO GLY GLY LEU ASP LEU LEU LYS HIS THR SEQRES 18 A 231 THR ASN VAL VAL LYS ALA HIS THR ASN ARG HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET S A 5Z 28 ATOM 1 N GLU A 32 -8.710 -3.466 63.923 1.00 57.61 N ATOM 2 CA GLU A 32 -8.066 -2.268 64.448 1.00 46.57 C ATOM 3 C GLU A 32 -8.912 -1.018 64.201 1.00 33.14 C ATOM 4 O GLU A 32 -8.683 0.017 64.827 1.00 39.92 O ATOM 5 CB GLU A 32 -6.676 -2.092 63.824 1.00 38.48 C ATOM 6 CG GLU A 32 -6.686 -1.889 62.313 1.00 50.55 C ATOM 7 CD GLU A 32 -5.290 -1.863 61.715 1.00 67.16 C ATOM 8 OE1 GLU A 32 -4.852 -2.903 61.179 1.00 60.75 O ATOM 9 OE2 GLU A 32 -4.627 -0.807 61.786 1.00 64.10 O ATOM 10 HN3 GLU A 32 -8.850 -3.362 62.898 1.00 0.00 H ATOM 11 HN2 GLU A 32 -9.631 -3.595 64.389 1.00 0.00 H ATOM 12 HN1 GLU A 32 -8.107 -4.292 64.109 1.00 0.00 H ATOM 13 N TYR A 33 -9.885 -1.108 63.295 1.00 46.61 N ATOM 14 CA TYR A 33 -10.732 0.047 63.005 1.00 28.33 C ATOM 15 C TYR A 33 -11.703 0.272 64.160 1.00 28.80 C ATOM 16 O TYR A 33 -12.379 -0.671 64.586 1.00 30.87 O ATOM 17 CB TYR A 33 -11.508 -0.139 61.701 1.00 35.35 C ATOM 18 CG TYR A 33 -12.008 1.171 61.117 1.00 25.18 C ATOM 19 CD1 TYR A 33 -11.168 1.975 60.358 1.00 22.42 C ATOM 20 CD2 TYR A 33 -13.310 1.608 61.336 1.00 24.83 C ATOM 21 CE1 TYR A 33 -11.608 3.175 59.829 1.00 21.38 C ATOM 22 CE2 TYR A 33 -13.760 2.811 60.808 1.00 22.98 C ATOM 23 CZ TYR A 33 -12.902 3.589 60.056 1.00 20.88 C ATOM 24 OH TYR A 33 -13.331 4.782 59.521 1.00 20.26 O ATOM 25 HH TYR A 33 -12.590 5.202 59.017 1.00 0.00 H ATOM 26 H TYR A 33 -10.042 -2.005 62.792 1.00 0.00 H ATOM 27 N PRO A 34 -11.801 1.490 64.694 1.00 30.13 N ATOM 28 CA PRO A 34 -12.692 1.714 65.838 1.00 28.25 C ATOM 29 C PRO A 34 -14.151 1.471 65.481 1.00 42.23 C ATOM 30 O PRO A 34 -14.612 1.809 64.388 1.00 33.17 O ATOM 31 CB PRO A 34 -12.432 3.179 66.210 1.00 33.39 C ATOM 32 CG PRO A 34 -11.795 3.790 65.009 1.00 34.79 C ATOM 33 CD PRO A 34 -11.023 2.695 64.358 1.00 26.58 C ATOM 34 N THR A 35 -14.872 0.871 66.423 1.00 42.78 N ATOM 35 CA THR A 35 -16.286 0.564 66.278 1.00 37.43 C ATOM 36 C THR A 35 -17.098 1.409 67.250 1.00 43.97 C ATOM 37 O THR A 35 -16.560 2.093 68.125 1.00 39.21 O ATOM 38 CB THR A 35 -16.556 -0.925 66.528 1.00 43.33 C ATOM 39 OG1 THR A 35 -16.432 -1.209 67.928 1.00 42.89 O ATOM 40 CG2 THR A 35 -15.576 -1.791 65.751 1.00 48.39 C ATOM 41 HG1 THR A 35 -15.516 -0.986 68.229 1.00 0.00 H ATOM 42 H THR A 35 -14.400 0.607 67.311 1.00 0.00 H ATOM 43 N VAL A 36 -18.421 1.342 67.092 1.00 51.12 N ATOM 44 CA VAL A 36 -19.306 2.162 67.911 1.00 47.53 C ATOM 45 C VAL A 36 -19.168 1.804 69.384 1.00 61.05 C ATOM 46 O VAL A 36 -19.357 2.658 70.259 1.00 73.90 O ATOM 47 CB VAL A 36 -20.761 2.014 67.422 1.00 59.81 C ATOM 48 CG1 VAL A 36 -21.340 0.664 67.834 1.00 60.08 C ATOM 49 CG2 VAL A 36 -21.611 3.152 67.942 1.00 55.73 C ATOM 50 H VAL A 36 -18.824 0.700 66.380 1.00 0.00 H ATOM 51 N SER A 37 -18.837 0.546 69.688 1.00 37.54 N ATOM 52 CA SER A 37 -18.701 0.126 71.077 1.00 54.67 C ATOM 53 C SER A 37 -17.530 0.806 71.774 1.00 42.53 C ATOM 54 O SER A 37 -17.537 0.917 73.004 1.00 50.13 O ATOM 55 CB SER A 37 -18.528 -1.392 71.155 1.00 54.77 C ATOM 56 OG SER A 37 -19.570 -2.066 70.469 1.00 59.33 O ATOM 57 HG SER A 37 -19.430 -3.044 70.538 1.00 0.00 H ATOM 58 H SER A 37 -18.674 -0.142 68.925 1.00 0.00 H ATOM 59 N GLU A 38 -16.536 1.270 71.018 1.00 46.02 N ATOM 60 CA GLU A 38 -15.300 1.791 71.583 1.00 44.78 C ATOM 61 C GLU A 38 -15.203 3.309 71.526 1.00 47.00 C ATOM 62 O GLU A 38 -14.166 3.861 71.910 1.00 45.01 O ATOM 63 CB GLU A 38 -14.102 1.166 70.859 1.00 40.69 C ATOM 64 CG GLU A 38 -14.086 -0.358 70.919 1.00 47.90 C ATOM 65 CD GLU A 38 -13.237 -0.980 69.830 1.00 46.45 C ATOM 66 OE1 GLU A 38 -12.448 -1.898 70.139 1.00 57.16 O ATOM 67 OE2 GLU A 38 -13.359 -0.552 68.663 1.00 54.60 O ATOM 68 H GLU A 38 -16.648 1.260 69.984 1.00 0.00 H ATOM 69 N ILE A 39 -16.243 3.999 71.066 1.00 34.31 N ATOM 70 CA ILE A 39 -16.243 5.460 71.018 1.00 42.91 C ATOM 71 C ILE A 39 -17.494 5.992 71.708 1.00 47.88 C ATOM 72 O ILE A 39 -18.591 5.905 71.137 1.00 46.57 O ATOM 73 CB ILE A 39 -16.181 5.984 69.575 1.00 28.87 C ATOM 74 CG1 ILE A 39 -14.986 5.394 68.825 1.00 29.22 C ATOM 75 CG2 ILE A 39 -16.101 7.507 69.579 1.00 33.52 C ATOM 76 CD1 ILE A 39 -14.932 5.810 67.367 1.00 26.03 C ATOM 77 H ILE A 39 -17.082 3.483 70.730 1.00 0.00 H ATOM 78 N PRO A 40 -17.389 6.562 72.906 1.00 49.35 N ATOM 79 CA PRO A 40 -18.560 7.208 73.506 1.00 52.58 C ATOM 80 C PRO A 40 -18.974 8.431 72.705 1.00 49.96 C ATOM 81 O PRO A 40 -18.142 9.124 72.114 1.00 40.77 O ATOM 82 CB PRO A 40 -18.078 7.599 74.910 1.00 51.45 C ATOM 83 CG PRO A 40 -16.807 6.834 75.131 1.00 51.97 C ATOM 84 CD PRO A 40 -16.208 6.645 73.779 1.00 38.10 C ATOM 85 N VAL A 41 -20.284 8.689 72.681 1.00 46.94 N ATOM 86 CA VAL A 41 -20.783 9.885 72.013 1.00 58.68 C ATOM 87 C VAL A 41 -20.105 11.102 72.623 1.00 56.61 C ATOM 88 O VAL A 41 -20.074 11.268 73.848 1.00 46.97 O ATOM 89 CB VAL A 41 -22.312 9.974 72.127 1.00 56.19 C ATOM 90 CG1 VAL A 41 -22.824 11.243 71.451 1.00 48.38 C ATOM 91 CG2 VAL A 41 -22.968 8.745 71.511 1.00 40.64 C ATOM 92 H VAL A 41 -20.950 8.035 73.140 1.00 0.00 H ATOM 93 N GLY A 42 -19.551 11.957 71.767 1.00 32.63 N ATOM 94 CA GLY A 42 -18.787 13.108 72.195 1.00 38.03 C ATOM 95 C GLY A 42 -17.295 12.977 71.971 1.00 36.81 C ATOM 96 O GLY A 42 -16.589 13.993 72.002 1.00 31.31 O ATOM 97 H GLY A 42 -19.672 11.791 70.748 1.00 0.00 H ATOM 98 N GLU A 43 -16.796 11.763 71.756 1.00 30.59 N ATOM 99 CA GLU A 43 -15.394 11.534 71.443 1.00 33.88 C ATOM 100 C GLU A 43 -15.219 11.245 69.958 1.00 31.58 C ATOM 101 O GLU A 43 -16.155 10.844 69.260 1.00 30.45 O ATOM 102 CB GLU A 43 -14.824 10.368 72.257 1.00 37.35 C ATOM 103 CG GLU A 43 -14.666 10.644 73.739 1.00 44.85 C ATOM 104 CD GLU A 43 -13.720 9.664 74.409 1.00 64.78 C ATOM 105 OE1 GLU A 43 -12.534 9.620 74.018 1.00 68.33 O ATOM 106 OE2 GLU A 43 -14.162 8.930 75.317 1.00 61.65 O ATOM 107 H GLU A 43 -17.434 10.944 71.814 1.00 0.00 H ATOM 108 N VAL A 44 -13.993 11.441 69.485 1.00 25.79 N ATOM 109 CA VAL A 44 -13.643 11.211 68.089 1.00 23.25 C ATOM 110 C VAL A 44 -12.322 10.459 68.041 1.00 27.51 C ATOM 111 O VAL A 44 -11.402 10.747 68.814 1.00 28.53 O ATOM 112 CB VAL A 44 -13.542 12.534 67.301 1.00 25.95 C ATOM 113 CG1 VAL A 44 -13.198 12.261 65.843 1.00 29.97 C ATOM 114 CG2 VAL A 44 -14.840 13.324 67.409 1.00 27.42 C ATOM 115 H VAL A 44 -13.253 11.772 70.137 1.00 0.00 H ATOM 116 N ARG A 45 -12.232 9.493 67.133 1.00 25.57 N ATOM 117 CA ARG A 45 -10.994 8.778 66.868 1.00 26.30 C ATOM 118 C ARG A 45 -10.504 9.116 65.467 1.00 20.99 C ATOM 119 O ARG A 45 -11.299 9.386 64.562 1.00 20.96 O ATOM 120 CB ARG A 45 -11.181 7.260 66.991 1.00 34.45 C ATOM 121 CG ARG A 45 -11.801 6.793 68.299 1.00 31.28 C ATOM 122 CD ARG A 45 -10.780 6.668 69.417 1.00 35.00 C ATOM 123 NE ARG A 45 -11.417 6.330 70.691 1.00 52.10 N ATOM 124 CZ ARG A 45 -11.841 7.223 71.581 1.00 37.30 C ATOM 125 NH1 ARG A 45 -11.698 8.523 71.353 1.00 56.82 N ATOM 126 NH2 ARG A 45 -12.411 6.816 72.708 1.00 51.77 N ATOM 127 HE ARG A 45 -11.547 5.323 70.916 1.00 0.00 H ATOM 128 HH12 ARG A 45 -12.033 9.214 72.055 1.00 0.00 H ATOM 129 HH11 ARG A 45 -11.251 8.851 70.473 1.00 0.00 H ATOM 130 HH22 ARG A 45 -12.743 7.514 73.404 1.00 0.00 H ATOM 131 HH21 ARG A 45 -12.526 5.799 72.895 1.00 0.00 H ATOM 132 H ARG A 45 -13.081 9.238 66.590 1.00 0.00 H ATOM 133 N LEU A 46 -9.186 9.109 65.299 1.00 22.53 N ATOM 134 CA LEU A 46 -8.560 9.224 63.990 1.00 21.39 C ATOM 135 C LEU A 46 -7.951 7.878 63.620 1.00 21.21 C ATOM 136 O LEU A 46 -7.424 7.170 64.483 1.00 23.32 O ATOM 137 CB LEU A 46 -7.479 10.314 63.979 1.00 22.88 C ATOM 138 CG LEU A 46 -7.880 11.695 64.508 1.00 20.95 C ATOM 139 CD1 LEU A 46 -6.729 12.691 64.378 1.00 26.65 C ATOM 140 CD2 LEU A 46 -9.119 12.218 63.799 1.00 22.59 C ATOM 141 H LEU A 46 -8.577 9.018 66.137 1.00 0.00 H ATOM 142 N TYR A 47 -8.038 7.521 62.340 1.00 25.15 N ATOM 143 CA TYR A 47 -7.517 6.252 61.844 1.00 24.92 C ATOM 144 C TYR A 47 -6.703 6.518 60.587 1.00 20.53 C ATOM 145 O TYR A 47 -7.235 7.042 59.603 1.00 22.27 O ATOM 146 CB TYR A 47 -8.658 5.270 61.557 1.00 26.96 C ATOM 147 CG TYR A 47 -8.204 3.910 61.082 1.00 23.19 C ATOM 148 CD1 TYR A 47 -7.949 2.887 61.986 1.00 27.30 C ATOM 149 CD2 TYR A 47 -8.039 3.645 59.729 1.00 26.95 C ATOM 150 CE1 TYR A 47 -7.536 1.643 61.556 1.00 41.49 C ATOM 151 CE2 TYR A 47 -7.626 2.403 59.290 1.00 33.00 C ATOM 152 CZ TYR A 47 -7.377 1.405 60.208 1.00 37.10 C ATOM 153 OH TYR A 47 -6.965 0.164 59.781 1.00 48.14 O ATOM 154 HH TYR A 47 -6.833 -0.426 60.565 1.00 0.00 H ATOM 155 H TYR A 47 -8.494 8.171 61.669 1.00 0.00 H ATOM 156 N GLN A 48 -5.420 6.158 60.615 1.00 25.00 N ATOM 157 CA GLN A 48 -4.542 6.418 59.479 1.00 32.55 C ATOM 158 C GLN A 48 -4.735 5.338 58.420 1.00 33.63 C ATOM 159 O GLN A 48 -4.479 4.156 58.671 1.00 31.28 O ATOM 160 CB GLN A 48 -3.081 6.484 59.918 1.00 33.67 C ATOM 161 CG GLN A 48 -2.135 6.816 58.772 1.00 40.83 C ATOM 162 CD GLN A 48 -0.985 7.710 59.191 1.00 46.95 C ATOM 163 OE1 GLN A 48 -0.439 7.570 60.285 1.00 40.40 O ATOM 164 NE2 GLN A 48 -0.616 8.645 58.321 1.00 62.45 N ATOM 165 HE22 GLN A 48 -1.106 8.727 57.407 1.00 0.00 H ATOM 166 HE21 GLN A 48 0.162 9.294 58.554 1.00 0.00 H ATOM 167 H GLN A 48 -5.039 5.685 61.459 1.00 0.00 H ATOM 168 N ILE A 49 -5.185 5.753 57.240 1.00 35.41 N ATOM 169 CA ILE A 49 -5.408 4.843 56.119 1.00 23.84 C ATOM 170 C ILE A 49 -4.138 4.655 55.307 1.00 38.68 C ATOM 171 O ILE A 49 -3.782 3.537 54.926 1.00 52.44 O ATOM 172 CB ILE A 49 -6.549 5.389 55.236 1.00 23.72 C ATOM 173 CG1 ILE A 49 -7.815 5.608 56.062 1.00 35.40 C ATOM 174 CG2 ILE A 49 -6.826 4.454 54.070 1.00 33.74 C ATOM 175 CD1 ILE A 49 -8.681 6.699 55.506 1.00 35.66 C ATOM 176 H ILE A 49 -5.386 6.765 57.110 1.00 0.00 H ATOM 177 N ALA A 50 -3.462 5.762 55.022 1.00 34.80 N ATOM 178 CA ALA A 50 -2.215 5.772 54.277 1.00 47.14 C ATOM 179 C ALA A 50 -1.455 7.022 54.696 1.00 41.96 C ATOM 180 O ALA A 50 -1.918 7.794 55.541 1.00 33.86 O ATOM 181 CB ALA A 50 -2.473 5.738 52.767 1.00 30.83 C ATOM 182 H ALA A 50 -3.846 6.671 55.350 1.00 0.00 H ATOM 183 N ASP A 51 -0.281 7.226 54.107 1.00 32.90 N ATOM 184 CA ASP A 51 0.476 8.431 54.412 1.00 36.98 C ATOM 185 C ASP A 51 -0.347 9.662 54.055 1.00 44.84 C ATOM 186 O ASP A 51 -0.842 9.789 52.931 1.00 33.18 O ATOM 187 CB ASP A 51 1.803 8.447 53.656 1.00 46.38 C ATOM 188 CG ASP A 51 2.676 9.626 54.046 1.00 53.30 C ATOM 189 OD1 ASP A 51 2.768 9.920 55.257 1.00 56.87 O ATOM 190 OD2 ASP A 51 3.259 10.266 53.146 1.00 65.19 O ATOM 191 H ASP A 51 0.094 6.529 53.432 1.00 0.00 H ATOM 192 N GLY A 52 -0.504 10.562 55.023 1.00 40.96 N ATOM 193 CA GLY A 52 -1.218 11.801 54.792 1.00 30.88 C ATOM 194 C GLY A 52 -2.713 11.669 54.628 1.00 29.45 C ATOM 195 O GLY A 52 -3.357 12.631 54.197 1.00 23.64 O ATOM 196 H GLY A 52 -0.106 10.372 55.965 1.00 0.00 H ATOM 197 N VAL A 53 -3.296 10.517 54.958 1.00 28.24 N ATOM 198 CA VAL A 53 -4.735 10.316 54.829 1.00 21.33 C ATOM 199 C VAL A 53 -5.237 9.606 56.078 1.00 34.89 C ATOM 200 O VAL A 53 -4.788 8.497 56.388 1.00 25.52 O ATOM 201 CB VAL A 53 -5.105 9.503 53.576 1.00 20.76 C ATOM 202 CG1 VAL A 53 -6.613 9.497 53.386 1.00 26.62 C ATOM 203 CG2 VAL A 53 -4.410 10.065 52.349 1.00 24.78 C ATOM 204 H VAL A 53 -2.708 9.739 55.318 1.00 0.00 H ATOM 205 N TRP A 54 -6.165 10.240 56.788 1.00 25.01 N ATOM 206 CA TRP A 54 -6.861 9.631 57.908 1.00 21.31 C ATOM 207 C TRP A 54 -8.360 9.631 57.647 1.00 21.81 C ATOM 208 O TRP A 54 -8.879 10.441 56.873 1.00 21.46 O ATOM 209 CB TRP A 54 -6.617 10.378 59.226 1.00 26.79 C ATOM 210 CG TRP A 54 -5.194 10.566 59.622 1.00 21.61 C ATOM 211 CD1 TRP A 54 -4.519 9.886 60.590 1.00 28.46 C ATOM 212 CD2 TRP A 54 -4.273 11.521 59.084 1.00 27.37 C ATOM 213 NE1 TRP A 54 -3.230 10.351 60.684 1.00 31.94 N ATOM 214 CE2 TRP A 54 -3.053 11.354 59.768 1.00 28.73 C ATOM 215 CE3 TRP A 54 -4.359 12.495 58.085 1.00 23.73 C ATOM 216 CZ2 TRP A 54 -1.928 12.124 59.484 1.00 26.47 C ATOM 217 CZ3 TRP A 54 -3.242 13.258 57.806 1.00 24.39 C ATOM 218 CH2 TRP A 54 -2.043 13.068 58.502 1.00 24.94 C ATOM 219 HE1 TRP A 54 -2.507 9.999 61.343 1.00 0.00 H ATOM 220 H TRP A 54 -6.404 11.219 56.529 1.00 0.00 H ATOM 221 N SER A 55 -9.052 8.719 58.315 1.00 18.83 N ATOM 222 CA SER A 55 -10.477 8.866 58.549 1.00 17.30 C ATOM 223 C SER A 55 -10.669 9.354 59.977 1.00 17.23 C ATOM 224 O SER A 55 -9.826 9.117 60.847 1.00 21.20 O ATOM 225 CB SER A 55 -11.229 7.550 58.334 1.00 19.46 C ATOM 226 OG SER A 55 -10.900 6.593 59.327 1.00 22.10 O ATOM 227 HG SER A 55 -11.403 5.757 59.158 1.00 0.00 H ATOM 228 H SER A 55 -8.562 7.878 58.680 1.00 0.00 H ATOM 229 N HIS A 56 -11.763 10.070 60.211 1.00 16.75 N ATOM 230 CA HIS A 56 -12.173 10.394 61.567 1.00 16.20 C ATOM 231 C HIS A 56 -13.510 9.727 61.837 1.00 19.04 C ATOM 232 O HIS A 56 -14.389 9.697 60.970 1.00 17.85 O ATOM 233 CB HIS A 56 -12.231 11.917 61.825 1.00 15.69 C ATOM 234 CG HIS A 56 -13.229 12.670 60.997 1.00 15.87 C ATOM 235 ND1 HIS A 56 -14.576 12.700 61.293 1.00 14.65 N ATOM 236 CD2 HIS A 56 -13.062 13.487 59.931 1.00 17.39 C ATOM 237 CE1 HIS A 56 -15.199 13.474 60.423 1.00 17.13 C ATOM 238 NE2 HIS A 56 -14.302 13.965 59.585 1.00 16.41 N ATOM 239 H HIS A 56 -12.336 10.404 59.410 1.00 0.00 H ATOM 240 N ILE A 57 -13.634 9.151 63.028 1.00 16.74 N ATOM 241 CA ILE A 57 -14.791 8.352 63.401 1.00 20.39 C ATOM 242 C ILE A 57 -15.412 8.978 64.637 1.00 18.54 C ATOM 243 O ILE A 57 -14.726 9.196 65.642 1.00 19.79 O ATOM 244 CB ILE A 57 -14.421 6.879 63.665 1.00 24.03 C ATOM 245 CG1 ILE A 57 -13.601 6.300 62.507 1.00 18.92 C ATOM 246 CG2 ILE A 57 -15.684 6.047 63.866 1.00 23.20 C ATOM 247 CD1 ILE A 57 -12.099 6.516 62.635 1.00 24.26 C ATOM 248 H ILE A 57 -12.871 9.277 63.723 1.00 0.00 H ATOM 249 N ALA A 58 -16.702 9.276 64.555 1.00 18.46 N ATOM 250 CA ALA A 58 -17.464 9.762 65.688 1.00 25.45 C ATOM 251 C ALA A 58 -18.719 8.912 65.817 1.00 23.25 C ATOM 252 O ALA A 58 -18.993 8.037 64.989 1.00 21.34 O ATOM 253 CB ALA A 58 -17.808 11.248 65.534 1.00 21.62 C ATOM 254 H ALA A 58 -17.185 9.156 63.642 1.00 0.00 H ATOM 255 N THR A 59 -19.482 9.167 66.873 1.00 25.40 N ATOM 256 CA THR A 59 -20.712 8.438 67.124 1.00 28.92 C ATOM 257 C THR A 59 -21.791 9.423 67.539 1.00 27.68 C ATOM 258 O THR A 59 -21.503 10.494 68.079 1.00 25.62 O ATOM 259 CB THR A 59 -20.537 7.374 68.213 1.00 26.70 C ATOM 260 OG1 THR A 59 -20.087 7.995 69.422 1.00 31.76 O ATOM 261 CG2 THR A 59 -19.529 6.317 67.775 1.00 29.28 C ATOM 262 HG1 THR A 59 -19.975 7.306 70.124 1.00 0.00 H ATOM 263 H THR A 59 -19.190 9.910 67.539 1.00 0.00 H ATOM 264 N GLN A 60 -23.037 9.050 67.278 1.00 26.19 N ATOM 265 CA GLN A 60 -24.162 9.898 67.623 1.00 31.38 C ATOM 266 C GLN A 60 -25.322 9.022 68.062 1.00 40.22 C ATOM 267 O GLN A 60 -25.507 7.917 67.545 1.00 30.08 O ATOM 268 CB GLN A 60 -24.557 10.786 66.434 1.00 26.02 C ATOM 269 CG GLN A 60 -25.474 11.937 66.790 1.00 38.43 C ATOM 270 CD GLN A 60 -24.970 12.736 67.975 1.00 36.70 C ATOM 271 OE1 GLN A 60 -25.383 12.502 69.110 1.00 32.39 O ATOM 272 NE2 GLN A 60 -24.065 13.673 67.721 1.00 32.66 N ATOM 273 HE22 GLN A 60 -23.745 13.836 66.745 1.00 0.00 H ATOM 274 HE21 GLN A 60 -23.676 14.244 68.498 1.00 0.00 H ATOM 275 H GLN A 60 -23.210 8.134 66.818 1.00 0.00 H ATOM 276 N SER A 61 -26.079 9.507 69.042 1.00 32.57 N ATOM 277 CA SER A 61 -27.281 8.828 69.498 1.00 43.04 C ATOM 278 C SER A 61 -28.451 9.272 68.634 1.00 62.40 C ATOM 279 O SER A 61 -28.613 10.467 68.363 1.00 58.06 O ATOM 280 CB SER A 61 -27.560 9.139 70.969 1.00 41.85 C ATOM 281 OG SER A 61 -26.417 8.888 71.768 1.00 53.44 O ATOM 282 HG SER A 61 -26.624 9.097 72.713 1.00 0.00 H ATOM 283 H SER A 61 -25.802 10.400 69.497 1.00 0.00 H ATOM 284 N PHE A 62 -29.259 8.312 68.198 1.00 53.48 N ATOM 285 CA PHE A 62 -30.393 8.623 67.335 1.00 64.54 C ATOM 286 C PHE A 62 -31.420 7.517 67.484 1.00 51.32 C ATOM 287 O PHE A 62 -31.102 6.344 67.261 1.00 51.88 O ATOM 288 CB PHE A 62 -29.948 8.760 65.876 1.00 52.91 C ATOM 289 CG PHE A 62 -31.032 9.239 64.953 1.00 45.53 C ATOM 290 H PHE A 62 -29.081 7.326 68.476 1.00 0.00 H ATOM 291 N ASP A 63 -32.638 7.879 67.879 1.00 66.37 N ATOM 292 CA ASP A 63 -33.761 6.953 67.825 1.00 52.50 C ATOM 293 C ASP A 63 -33.522 5.726 68.703 1.00 53.88 C ATOM 294 O ASP A 63 -33.996 4.629 68.398 1.00 50.98 O ATOM 295 CB ASP A 63 -34.025 6.543 66.373 1.00 53.41 C ATOM 296 CG ASP A 63 -35.346 5.841 66.191 1.00 54.78 C ATOM 297 OD1 ASP A 63 -36.288 6.126 66.959 1.00 60.40 O ATOM 298 OD2 ASP A 63 -35.442 5.008 65.267 1.00 71.14 O ATOM 299 H ASP A 63 -32.792 8.844 68.234 1.00 0.00 H ATOM 300 N GLY A 64 -32.775 5.897 69.792 1.00 50.55 N ATOM 301 CA GLY A 64 -32.552 4.817 70.733 1.00 52.30 C ATOM 302 C GLY A 64 -31.179 4.182 70.646 1.00 68.31 C ATOM 303 O GLY A 64 -30.609 3.790 71.669 1.00 60.42 O ATOM 304 H GLY A 64 -32.342 6.825 69.971 1.00 0.00 H ATOM 305 N ALA A 65 -30.633 4.074 69.437 1.00 53.70 N ATOM 306 CA ALA A 65 -29.382 3.368 69.212 1.00 46.38 C ATOM 307 C ALA A 65 -28.223 4.354 69.081 1.00 40.37 C ATOM 308 O ALA A 65 -28.388 5.573 69.162 1.00 39.03 O ATOM 309 CB ALA A 65 -29.487 2.484 67.968 1.00 50.97 C ATOM 310 H ALA A 65 -31.117 4.509 68.626 1.00 0.00 H ATOM 311 N VAL A 66 -27.029 3.803 68.879 1.00 38.40 N ATOM 312 CA VAL A 66 -25.815 4.580 68.658 1.00 35.36 C ATOM 313 C VAL A 66 -25.223 4.148 67.325 1.00 41.72 C ATOM 314 O VAL A 66 -25.137 2.947 67.041 1.00 35.87 O ATOM 315 CB VAL A 66 -24.797 4.387 69.798 1.00 36.45 C ATOM 316 CG1 VAL A 66 -23.577 5.267 69.576 1.00 33.68 C ATOM 317 CG2 VAL A 66 -25.435 4.694 71.143 1.00 44.25 C ATOM 318 H VAL A 66 -26.958 2.765 68.879 1.00 0.00 H ATOM 319 N TYR A 67 -24.817 5.123 66.512 1.00 30.00 N ATOM 320 CA TYR A 67 -24.287 4.838 65.191 1.00 32.31 C ATOM 321 C TYR A 67 -22.918 5.480 65.017 1.00 25.49 C ATOM 322 O TYR A 67 -22.673 6.573 65.540 1.00 27.90 O ATOM 323 CB TYR A 67 -25.233 5.352 64.098 1.00 27.20 C ATOM 324 CG TYR A 67 -26.631 4.796 64.206 1.00 29.85 C ATOM 325 CD1 TYR A 67 -26.864 3.434 64.083 1.00 50.90 C ATOM 326 CD2 TYR A 67 -27.717 5.631 64.431 1.00 47.23 C ATOM 327 CE1 TYR A 67 -28.139 2.916 64.182 1.00 34.52 C ATOM 328 CE2 TYR A 67 -28.999 5.122 64.532 1.00 40.02 C ATOM 329 CZ TYR A 67 -29.202 3.764 64.405 1.00 54.34 C ATOM 330 OH TYR A 67 -30.475 3.250 64.504 1.00 58.44 O ATOM 331 HH TYR A 67 -30.443 2.267 64.390 1.00 0.00 H ATOM 332 H TYR A 67 -24.881 6.111 66.831 1.00 0.00 H ATOM 333 N PRO A 68 -22.008 4.828 64.298 1.00 24.46 N ATOM 334 CA PRO A 68 -20.745 5.469 63.931 1.00 22.35 C ATOM 335 C PRO A 68 -20.882 6.248 62.630 1.00 20.40 C ATOM 336 O PRO A 68 -21.816 6.055 61.849 1.00 20.68 O ATOM 337 CB PRO A 68 -19.798 4.276 63.758 1.00 22.84 C ATOM 338 CG PRO A 68 -20.689 3.204 63.213 1.00 27.84 C ATOM 339 CD PRO A 68 -22.065 3.436 63.815 1.00 36.79 C ATOM 340 N SER A 69 -19.919 7.140 62.408 1.00 18.81 N ATOM 341 CA SER A 69 -19.882 7.927 61.183 1.00 17.29 C ATOM 342 C SER A 69 -18.436 8.260 60.852 1.00 17.12 C ATOM 343 O SER A 69 -17.639 8.550 61.748 1.00 20.63 O ATOM 344 CB SER A 69 -20.702 9.215 61.313 1.00 17.30 C ATOM 345 OG SER A 69 -20.788 9.880 60.066 1.00 17.77 O ATOM 346 HG SER A 69 -19.878 10.109 59.752 1.00 0.00 H ATOM 347 H SER A 69 -19.178 7.278 63.124 1.00 0.00 H ATOM 348 N ASN A 70 -18.112 8.224 59.561 1.00 17.47 N ATOM 349 CA ASN A 70 -16.762 8.471 59.070 1.00 14.40 C ATOM 350 C ASN A 70 -16.679 9.802 58.336 1.00 13.57 C ATOM 351 O ASN A 70 -17.597 10.177 57.600 1.00 15.66 O ATOM 352 CB ASN A 70 -16.308 7.376 58.101 1.00 16.77 C ATOM 353 CG ASN A 70 -16.263 6.012 58.733 1.00 15.91 C ATOM 354 OD1 ASN A 70 -15.821 5.850 59.870 1.00 22.42 O ATOM 355 ND2 ASN A 70 -16.715 5.010 57.990 1.00 16.77 N ATOM 356 HD22 ASN A 70 -17.080 5.195 57.034 1.00 0.00 H ATOM 357 HD21 ASN A 70 -16.705 4.040 58.364 1.00 0.00 H ATOM 358 H ASN A 70 -18.858 8.009 58.869 1.00 0.00 H ATOM 359 N GLY A 71 -15.563 10.498 58.535 1.00 16.68 N ATOM 360 CA GLY A 71 -15.133 11.549 57.637 1.00 15.83 C ATOM 361 C GLY A 71 -13.697 11.314 57.215 1.00 14.03 C ATOM 362 O GLY A 71 -13.132 10.264 57.534 1.00 17.53 O ATOM 363 H GLY A 71 -14.978 10.279 59.366 1.00 0.00 H ATOM 364 N LEU A 72 -13.089 12.266 56.508 1.00 13.98 N ATOM 365 CA LEU A 72 -11.741 12.090 55.986 1.00 16.91 C ATOM 366 C LEU A 72 -10.873 13.294 56.326 1.00 17.66 C ATOM 367 O LEU A 72 -11.364 14.417 56.465 1.00 15.86 O ATOM 368 CB LEU A 72 -11.753 11.880 54.465 1.00 13.99 C ATOM 369 CG LEU A 72 -10.569 11.093 53.900 1.00 17.98 C ATOM 370 CD1 LEU A 72 -10.631 9.631 54.335 1.00 20.06 C ATOM 371 CD2 LEU A 72 -10.540 11.208 52.387 1.00 18.24 C ATOM 372 H LEU A 72 -13.591 13.158 56.324 1.00 0.00 H ATOM 373 N ILE A 73 -9.571 13.038 56.462 1.00 15.70 N ATOM 374 CA ILE A 73 -8.559 14.071 56.659 1.00 15.22 C ATOM 375 C ILE A 73 -7.441 13.810 55.661 1.00 18.90 C ATOM 376 O ILE A 73 -6.879 12.711 55.633 1.00 20.18 O ATOM 377 CB ILE A 73 -7.992 14.070 58.093 1.00 24.26 C ATOM 378 CG1 ILE A 73 -9.112 14.154 59.132 1.00 25.62 C ATOM 379 CG2 ILE A 73 -7.011 15.228 58.277 1.00 23.53 C ATOM 380 CD1 ILE A 73 -8.635 13.903 60.557 1.00 18.50 C ATOM 381 H ILE A 73 -9.259 12.046 56.426 1.00 0.00 H ATOM 382 N VAL A 74 -7.114 14.814 54.851 1.00 16.80 N ATOM 383 CA VAL A 74 -6.107 14.666 53.805 1.00 18.08 C ATOM 384 C VAL A 74 -5.073 15.768 53.974 1.00 24.48 C ATOM 385 O VAL A 74 -5.415 16.956 53.932 1.00 23.72 O ATOM 386 CB VAL A 74 -6.724 14.716 52.397 1.00 20.07 C ATOM 387 CG1 VAL A 74 -5.654 14.491 51.344 1.00 19.64 C ATOM 388 CG2 VAL A 74 -7.831 13.680 52.265 1.00 19.70 C ATOM 389 H VAL A 74 -7.590 15.731 54.967 1.00 0.00 H ATOM 390 N ARG A 75 -3.811 15.380 54.147 1.00 25.36 N ATOM 391 CA ARG A 75 -2.752 16.367 54.285 1.00 27.15 C ATOM 392 C ARG A 75 -2.561 17.122 52.976 1.00 33.71 C ATOM 393 O ARG A 75 -2.572 16.537 51.889 1.00 25.75 O ATOM 394 CB ARG A 75 -1.442 15.707 54.713 1.00 29.73 C ATOM 395 CG ARG A 75 -0.315 16.712 54.887 1.00 28.12 C ATOM 396 CD ARG A 75 0.823 16.170 55.731 1.00 38.03 C ATOM 397 NE ARG A 75 1.845 17.189 55.956 1.00 51.92 N ATOM 398 CZ ARG A 75 2.952 17.001 56.667 1.00 40.16 C ATOM 399 NH1 ARG A 75 3.192 15.826 57.234 1.00 49.58 N ATOM 400 NH2 ARG A 75 3.820 17.993 56.813 1.00 41.34 N ATOM 401 HE ARG A 75 1.696 18.126 55.531 1.00 0.00 H ATOM 402 HH12 ARG A 75 4.060 15.684 57.789 1.00 0.00 H ATOM 403 HH11 ARG A 75 2.512 15.047 57.123 1.00 0.00 H ATOM 404 HH22 ARG A 75 4.687 17.848 57.369 1.00 0.00 H ATOM 405 HH21 ARG A 75 3.634 18.916 56.371 1.00 0.00 H ATOM 406 H ARG A 75 -3.582 14.366 54.184 1.00 0.00 H ATOM 407 N ASP A 76 -2.378 18.437 53.097 1.00 32.23 N ATOM 408 CA ASP A 76 -2.375 19.370 51.973 1.00 30.72 C ATOM 409 C ASP A 76 -1.124 20.245 52.067 1.00 36.71 C ATOM 410 O ASP A 76 -1.188 21.460 52.250 1.00 40.07 O ATOM 411 CB ASP A 76 -3.670 20.188 52.004 1.00 49.48 C ATOM 412 CG ASP A 76 -3.816 21.127 50.821 1.00 56.87 C ATOM 413 OD1 ASP A 76 -3.104 20.954 49.813 1.00 32.90 O ATOM 414 OD2 ASP A 76 -4.668 22.039 50.899 1.00 42.63 O ATOM 415 H ASP A 76 -2.228 18.823 54.051 1.00 0.00 H ATOM 416 N GLY A 77 0.036 19.604 51.948 1.00 30.27 N ATOM 417 CA GLY A 77 1.297 20.260 52.234 1.00 39.67 C ATOM 418 C GLY A 77 1.518 20.375 53.728 1.00 43.57 C ATOM 419 O GLY A 77 1.672 19.363 54.419 1.00 34.95 O ATOM 420 H GLY A 77 0.038 18.610 51.643 1.00 0.00 H ATOM 421 N ASP A 78 1.532 21.605 54.241 1.00 29.09 N ATOM 422 CA ASP A 78 1.589 21.855 55.674 1.00 32.59 C ATOM 423 C ASP A 78 0.226 22.236 56.240 1.00 31.55 C ATOM 424 O ASP A 78 0.148 22.803 57.335 1.00 31.45 O ATOM 425 CB ASP A 78 2.621 22.942 55.974 1.00 34.34 C ATOM 426 CG ASP A 78 4.023 22.541 55.555 1.00 52.76 C ATOM 427 OD1 ASP A 78 4.374 21.353 55.718 1.00 53.88 O ATOM 428 OD2 ASP A 78 4.770 23.408 55.056 1.00 61.12 O ATOM 429 H ASP A 78 1.501 22.418 53.593 1.00 0.00 H ATOM 430 N GLU A 79 -0.846 21.934 55.510 1.00 31.48 N ATOM 431 CA GLU A 79 -2.214 22.165 55.944 1.00 25.17 C ATOM 432 C GLU A 79 -2.987 20.858 55.833 1.00 24.17 C ATOM 433 O GLU A 79 -2.484 19.855 55.319 1.00 25.94 O ATOM 434 CB GLU A 79 -2.894 23.254 55.102 1.00 36.11 C ATOM 435 CG GLU A 79 -2.241 24.620 55.198 1.00 47.30 C ATOM 436 CD GLU A 79 -2.733 25.577 54.127 1.00 44.18 C ATOM 437 OE1 GLU A 79 -2.056 26.598 53.887 1.00 52.03 O ATOM 438 OE2 GLU A 79 -3.795 25.308 53.526 1.00 43.07 O ATOM 439 H GLU A 79 -0.696 21.507 54.574 1.00 0.00 H ATOM 440 N LEU A 80 -4.227 20.876 56.316 1.00 20.96 N ATOM 441 CA LEU A 80 -5.111 19.723 56.246 1.00 23.86 C ATOM 442 C LEU A 80 -6.402 20.099 55.535 1.00 23.32 C ATOM 443 O LEU A 80 -6.954 21.183 55.756 1.00 21.89 O ATOM 444 CB LEU A 80 -5.442 19.179 57.644 1.00 22.82 C ATOM 445 CG LEU A 80 -4.269 18.686 58.495 1.00 23.81 C ATOM 446 CD1 LEU A 80 -4.775 18.216 59.848 1.00 25.56 C ATOM 447 CD2 LEU A 80 -3.503 17.574 57.795 1.00 22.30 C ATOM 448 H LEU A 80 -4.578 21.748 56.761 1.00 0.00 H ATOM 449 N LEU A 81 -6.869 19.203 54.672 1.00 17.68 N ATOM 450 CA LEU A 81 -8.208 19.279 54.107 1.00 17.64 C ATOM 451 C LEU A 81 -9.108 18.322 54.874 1.00 17.15 C ATOM 452 O LEU A 81 -8.794 17.134 54.999 1.00 20.84 O ATOM 453 CB LEU A 81 -8.205 18.926 52.618 1.00 17.77 C ATOM 454 CG LEU A 81 -9.580 18.779 51.952 1.00 15.81 C ATOM 455 CD1 LEU A 81 -10.346 20.100 51.938 1.00 16.93 C ATOM 456 CD2 LEU A 81 -9.427 18.232 50.544 1.00 22.16 C ATOM 457 H LEU A 81 -6.252 18.415 54.389 1.00 0.00 H ATOM 458 N LEU A 82 -10.215 18.842 55.393 1.00 14.54 N ATOM 459 CA LEU A 82 -11.185 18.047 56.129 1.00 13.74 C ATOM 460 C LEU A 82 -12.350 17.704 55.210 1.00 15.57 C ATOM 461 O LEU A 82 -12.848 18.570 54.485 1.00 18.18 O ATOM 462 CB LEU A 82 -11.686 18.809 57.357 1.00 15.65 C ATOM 463 CG LEU A 82 -12.736 18.114 58.229 1.00 14.32 C ATOM 464 CD1 LEU A 82 -12.161 16.862 58.862 1.00 14.79 C ATOM 465 CD2 LEU A 82 -13.247 19.068 59.297 1.00 24.87 C ATOM 466 H LEU A 82 -10.395 19.859 55.268 1.00 0.00 H ATOM 467 N ILE A 83 -12.771 16.444 55.229 1.00 13.29 N ATOM 468 CA ILE A 83 -13.967 16.015 54.514 1.00 11.03 C ATOM 469 C ILE A 83 -15.010 15.647 55.558 1.00 14.48 C ATOM 470 O ILE A 83 -14.870 14.642 56.268 1.00 13.18 O ATOM 471 CB ILE A 83 -13.694 14.845 53.560 1.00 14.46 C ATOM 472 CG1 ILE A 83 -12.520 15.169 52.632 1.00 14.14 C ATOM 473 CG2 ILE A 83 -14.944 14.539 52.736 1.00 13.22 C ATOM 474 CD1 ILE A 83 -12.724 16.413 51.780 1.00 14.94 C ATOM 475 H ILE A 83 -12.230 15.741 55.772 1.00 0.00 H ATOM 476 N ASP A 84 -16.041 16.486 55.658 1.00 13.51 N ATOM 477 CA ASP A 84 -17.228 16.262 56.479 1.00 10.72 C ATOM 478 C ASP A 84 -16.995 16.511 57.963 1.00 15.00 C ATOM 479 O ASP A 84 -15.893 16.307 58.485 1.00 15.57 O ATOM 480 CB ASP A 84 -17.773 14.848 56.254 1.00 14.79 C ATOM 481 CG ASP A 84 -18.446 14.701 54.899 1.00 17.42 C ATOM 482 OD1 ASP A 84 -19.087 15.676 54.454 1.00 16.43 O ATOM 483 OD2 ASP A 84 -18.350 13.620 54.279 1.00 12.15 O ATOM 484 H ASP A 84 -15.997 17.368 55.109 1.00 0.00 H ATOM 485 N THR A 85 -18.045 16.977 58.636 1.00 16.98 N ATOM 486 CA THR A 85 -18.025 17.191 60.073 1.00 17.47 C ATOM 487 C THR A 85 -18.078 15.852 60.801 1.00 22.80 C ATOM 488 O THR A 85 -18.173 14.782 60.193 1.00 17.31 O ATOM 489 CB THR A 85 -19.210 18.052 60.499 1.00 18.32 C ATOM 490 OG1 THR A 85 -20.426 17.341 60.236 1.00 19.12 O ATOM 491 CG2 THR A 85 -19.224 19.370 59.750 1.00 15.57 C ATOM 492 HG1 THR A 85 -21.198 17.897 60.511 1.00 0.00 H ATOM 493 H THR A 85 -18.916 17.197 58.111 1.00 0.00 H ATOM 494 N ALA A 86 -18.048 15.921 62.133 1.00 16.33 N ATOM 495 CA ALA A 86 -18.136 14.739 62.982 1.00 16.07 C ATOM 496 C ALA A 86 -19.543 14.528 63.540 1.00 15.82 C ATOM 497 O ALA A 86 -19.704 13.927 64.605 1.00 15.36 O ATOM 498 CB ALA A 86 -17.121 14.829 64.121 1.00 15.72 C ATOM 499 H ALA A 86 -17.958 16.854 62.583 1.00 0.00 H ATOM 500 N TRP A 87 -20.566 15.019 62.837 1.00 17.25 N ATOM 501 CA TRP A 87 -21.956 14.761 63.195 1.00 18.31 C ATOM 502 C TRP A 87 -22.366 15.510 64.457 1.00 17.39 C ATOM 503 O TRP A 87 -22.835 14.903 65.425 1.00 21.90 O ATOM 504 CB TRP A 87 -22.191 13.255 63.369 1.00 19.75 C ATOM 505 CG TRP A 87 -23.618 12.843 63.133 1.00 21.32 C ATOM 506 CD1 TRP A 87 -24.694 13.668 62.984 1.00 21.41 C ATOM 507 CD2 TRP A 87 -24.120 11.504 63.003 1.00 20.96 C ATOM 508 NE1 TRP A 87 -25.833 12.931 62.774 1.00 27.52 N ATOM 509 CE2 TRP A 87 -25.509 11.601 62.783 1.00 23.28 C ATOM 510 CE3 TRP A 87 -23.531 10.238 63.052 1.00 27.96 C ATOM 511 CZ2 TRP A 87 -26.318 10.479 62.613 1.00 27.83 C ATOM 512 CZ3 TRP A 87 -24.339 9.123 62.884 1.00 28.14 C ATOM 513 CH2 TRP A 87 -25.716 9.253 62.668 1.00 28.46 C ATOM 514 HE1 TRP A 87 -26.787 13.320 62.631 1.00 0.00 H ATOM 515 H TRP A 87 -20.364 15.607 62.003 1.00 0.00 H ATOM 516 N GLY A 88 -22.200 16.830 64.450 1.00 17.18 N ATOM 517 CA GLY A 88 -22.676 17.659 65.541 1.00 17.17 C ATOM 518 C GLY A 88 -21.652 18.663 66.029 1.00 20.28 C ATOM 519 O GLY A 88 -20.447 18.485 65.827 1.00 17.68 O ATOM 520 H GLY A 88 -21.718 17.278 63.644 1.00 0.00 H ATOM 521 N ALA A 89 -22.131 19.723 66.682 1.00 21.61 N ATOM 522 CA ALA A 89 -21.241 20.768 67.179 1.00 18.37 C ATOM 523 C ALA A 89 -20.229 20.209 68.173 1.00 19.00 C ATOM 524 O ALA A 89 -19.023 20.452 68.051 1.00 23.94 O ATOM 525 CB ALA A 89 -22.065 21.885 67.821 1.00 24.98 C ATOM 526 H ALA A 89 -23.156 19.806 66.840 1.00 0.00 H ATOM 527 N LYS A 90 -20.703 19.463 69.174 1.00 23.78 N ATOM 528 CA LYS A 90 -19.811 18.947 70.210 1.00 27.99 C ATOM 529 C LYS A 90 -18.779 17.990 69.625 1.00 33.61 C ATOM 530 O LYS A 90 -17.587 18.071 69.945 1.00 22.88 O ATOM 531 CB LYS A 90 -20.624 18.249 71.300 1.00 30.56 C ATOM 532 CG LYS A 90 -19.773 17.532 72.336 1.00 37.97 C ATOM 533 H LYS A 90 -21.719 19.247 69.217 1.00 0.00 H ATOM 534 N ASN A 91 -19.226 17.061 68.775 1.00 23.13 N ATOM 535 CA ASN A 91 -18.311 16.107 68.154 1.00 18.55 C ATOM 536 C ASN A 91 -17.271 16.814 67.293 1.00 17.72 C ATOM 537 O ASN A 91 -16.105 16.403 67.251 1.00 20.11 O ATOM 538 CB ASN A 91 -19.090 15.107 67.298 1.00 22.42 C ATOM 539 CG ASN A 91 -19.766 14.022 68.118 1.00 28.13 C ATOM 540 OD1 ASN A 91 -19.745 14.048 69.347 1.00 26.86 O ATOM 541 ND2 ASN A 91 -20.375 13.060 67.431 1.00 24.45 N ATOM 542 HD22 ASN A 91 -20.367 13.079 66.391 1.00 0.00 H ATOM 543 HD21 ASN A 91 -20.859 12.289 67.934 1.00 0.00 H ATOM 544 H ASN A 91 -20.241 17.017 68.552 1.00 0.00 H ATOM 545 N THR A 92 -17.681 17.864 66.579 1.00 17.43 N ATOM 546 CA THR A 92 -16.759 18.543 65.674 1.00 15.06 C ATOM 547 C THR A 92 -15.749 19.385 66.440 1.00 18.63 C ATOM 548 O THR A 92 -14.599 19.517 66.006 1.00 21.35 O ATOM 549 CB THR A 92 -17.540 19.401 64.678 1.00 20.61 C ATOM 550 OG1 THR A 92 -18.458 18.570 63.956 1.00 20.52 O ATOM 551 CG2 THR A 92 -16.599 20.080 63.684 1.00 13.81 C ATOM 552 HG1 THR A 92 -19.086 18.144 64.592 1.00 0.00 H ATOM 553 H THR A 92 -18.661 18.200 66.668 1.00 0.00 H ATOM 554 N ALA A 93 -16.152 19.962 67.573 1.00 19.72 N ATOM 555 CA ALA A 93 -15.183 20.610 68.447 1.00 24.85 C ATOM 556 C ALA A 93 -14.147 19.607 68.936 1.00 21.09 C ATOM 557 O ALA A 93 -12.948 19.906 68.970 1.00 25.74 O ATOM 558 CB ALA A 93 -15.898 21.268 69.627 1.00 25.58 C ATOM 559 H ALA A 93 -17.159 19.949 67.833 1.00 0.00 H ATOM 560 N ALA A 94 -14.591 18.403 69.308 1.00 22.73 N ATOM 561 CA ALA A 94 -13.655 17.366 69.732 1.00 26.47 C ATOM 562 C ALA A 94 -12.798 16.891 68.566 1.00 24.16 C ATOM 563 O ALA A 94 -11.612 16.590 68.742 1.00 22.50 O ATOM 564 CB ALA A 94 -14.417 16.195 70.353 1.00 24.41 C ATOM 565 H ALA A 94 -15.612 18.203 69.295 1.00 0.00 H ATOM 566 N LEU A 95 -13.383 16.814 67.368 1.00 23.03 N ATOM 567 CA LEU A 95 -12.610 16.475 66.177 1.00 26.27 C ATOM 568 C LEU A 95 -11.435 17.428 66.000 1.00 20.39 C ATOM 569 O LEU A 95 -10.294 16.996 65.796 1.00 23.61 O ATOM 570 CB LEU A 95 -13.514 16.507 64.943 1.00 18.35 C ATOM 571 CG LEU A 95 -12.818 16.402 63.583 1.00 14.74 C ATOM 572 CD1 LEU A 95 -12.067 15.084 63.446 1.00 19.22 C ATOM 573 CD2 LEU A 95 -13.830 16.572 62.461 1.00 20.02 C ATOM 574 H LEU A 95 -14.403 16.998 67.282 1.00 0.00 H ATOM 575 N LEU A 96 -11.696 18.735 66.067 1.00 24.43 N ATOM 576 CA LEU A 96 -10.628 19.712 65.885 1.00 19.92 C ATOM 577 C LEU A 96 -9.572 19.587 66.976 1.00 20.02 C ATOM 578 O LEU A 96 -8.373 19.726 66.706 1.00 29.27 O ATOM 579 CB LEU A 96 -11.205 21.127 65.857 1.00 22.59 C ATOM 580 CG LEU A 96 -12.095 21.483 64.664 1.00 25.74 C ATOM 581 CD1 LEU A 96 -12.641 22.892 64.814 1.00 23.45 C ATOM 582 CD2 LEU A 96 -11.338 21.345 63.349 1.00 32.61 C ATOM 583 H LEU A 96 -12.667 19.059 66.250 1.00 0.00 H ATOM 584 N ALA A 97 -9.994 19.332 68.218 1.00 20.93 N ATOM 585 CA ALA A 97 -9.028 19.167 69.300 1.00 22.85 C ATOM 586 C ALA A 97 -8.190 17.910 69.102 1.00 23.23 C ATOM 587 O ALA A 97 -6.986 17.910 69.387 1.00 33.55 O ATOM 588 CB ALA A 97 -9.745 19.124 70.650 1.00 23.95 C ATOM 589 H ALA A 97 -11.012 19.251 68.414 1.00 0.00 H ATOM 590 N GLU A 98 -8.806 16.829 68.614 1.00 24.35 N ATOM 591 CA GLU A 98 -8.063 15.596 68.375 1.00 22.64 C ATOM 592 C GLU A 98 -7.107 15.741 67.196 1.00 22.27 C ATOM 593 O GLU A 98 -6.003 15.184 67.217 1.00 27.01 O ATOM 594 CB GLU A 98 -9.029 14.433 68.139 1.00 27.92 C ATOM 595 CG GLU A 98 -8.358 13.061 68.133 1.00 34.16 C ATOM 596 CD GLU A 98 -7.819 12.664 69.496 1.00 36.08 C ATOM 597 OE1 GLU A 98 -8.164 13.330 70.495 1.00 45.50 O ATOM 598 OE2 GLU A 98 -7.047 11.683 69.567 1.00 43.25 O ATOM 599 H GLU A 98 -9.824 16.867 68.403 1.00 0.00 H ATOM 600 N ILE A 99 -7.509 16.475 66.154 1.00 20.83 N ATOM 601 CA ILE A 99 -6.592 16.726 65.042 1.00 20.76 C ATOM 602 C ILE A 99 -5.391 17.527 65.529 1.00 22.42 C ATOM 603 O ILE A 99 -4.235 17.164 65.280 1.00 26.12 O ATOM 604 CB ILE A 99 -7.313 17.447 63.886 1.00 19.23 C ATOM 605 CG1 ILE A 99 -8.385 16.551 63.258 1.00 27.00 C ATOM 606 CG2 ILE A 99 -6.303 17.862 62.821 1.00 23.36 C ATOM 607 CD1 ILE A 99 -9.217 17.245 62.171 1.00 22.59 C ATOM 608 H ILE A 99 -8.472 16.867 66.134 1.00 0.00 H ATOM 609 N GLU A 100 -5.651 18.643 66.216 1.00 26.70 N ATOM 610 CA GLU A 100 -4.578 19.465 66.767 1.00 33.82 C ATOM 611 C GLU A 100 -3.631 18.624 67.617 1.00 31.31 C ATOM 612 O GLU A 100 -2.405 18.766 67.535 1.00 32.53 O ATOM 613 CB GLU A 100 -5.213 20.599 67.582 1.00 32.76 C ATOM 614 CG GLU A 100 -4.288 21.636 68.204 1.00 41.29 C ATOM 615 CD GLU A 100 -5.062 22.608 69.090 1.00 28.91 C ATOM 616 OE1 GLU A 100 -4.840 23.834 68.987 1.00 45.11 O ATOM 617 OE2 GLU A 100 -5.910 22.142 69.880 1.00 29.34 O ATOM 618 H GLU A 100 -6.639 18.932 66.361 1.00 0.00 H ATOM 619 N LYS A 101 -4.190 17.736 68.442 1.00 29.70 N ATOM 620 CA LYS A 101 -3.374 16.936 69.348 1.00 28.64 C ATOM 621 C LYS A 101 -2.526 15.915 68.592 1.00 28.92 C ATOM 622 O LYS A 101 -1.313 15.818 68.817 1.00 30.81 O ATOM 623 CB LYS A 101 -4.271 16.243 70.378 1.00 28.81 C ATOM 624 CG LYS A 101 -3.554 15.204 71.230 1.00 36.90 C ATOM 625 CD LYS A 101 -4.454 14.648 72.324 1.00 38.38 C ATOM 626 CE LYS A 101 -3.779 13.503 73.064 1.00 38.59 C ATOM 627 NZ LYS A 101 -4.658 12.903 74.106 1.00 49.55 N ATOM 628 HZ1 LYS A 101 -4.913 13.631 74.804 1.00 0.00 H ATOM 629 HZ2 LYS A 101 -5.521 12.532 73.659 1.00 0.00 H ATOM 630 HZ3 LYS A 101 -4.152 12.128 74.581 1.00 0.00 H ATOM 631 H LYS A 101 -5.223 17.613 68.439 1.00 0.00 H ATOM 632 N GLN A 102 -3.141 15.142 67.693 1.00 29.67 N ATOM 633 CA GLN A 102 -2.441 14.030 67.054 1.00 32.47 C ATOM 634 C GLN A 102 -1.636 14.447 65.825 1.00 36.80 C ATOM 635 O GLN A 102 -0.554 13.898 65.587 1.00 35.58 O ATOM 636 CB GLN A 102 -3.431 12.932 66.645 1.00 29.95 C ATOM 637 CG GLN A 102 -4.254 12.338 67.782 1.00 37.96 C ATOM 638 CD GLN A 102 -5.035 11.106 67.355 1.00 48.09 C ATOM 639 OE1 GLN A 102 -4.513 10.231 66.661 1.00 47.06 O ATOM 640 H GLN A 102 -4.132 15.334 67.444 1.00 0.00 H ATOM 641 N ILE A 103 -2.137 15.388 65.028 1.00 29.29 N ATOM 642 CA ILE A 103 -1.503 15.769 63.773 1.00 29.44 C ATOM 643 C ILE A 103 -0.801 17.114 63.882 1.00 30.55 C ATOM 644 O ILE A 103 0.317 17.275 63.386 1.00 30.88 O ATOM 645 CB ILE A 103 -2.531 15.778 62.619 1.00 23.92 C ATOM 646 CG1 ILE A 103 -3.253 14.428 62.530 1.00 24.82 C ATOM 647 CG2 ILE A 103 -1.843 16.101 61.293 1.00 28.32 C ATOM 648 CD1 ILE A 103 -4.335 14.373 61.459 1.00 24.69 C ATOM 649 H ILE A 103 -3.014 15.869 65.312 1.00 0.00 H ATOM 650 N GLY A 104 -1.440 18.098 64.510 1.00 29.20 N ATOM 651 CA GLY A 104 -0.791 19.370 64.748 1.00 33.78 C ATOM 652 C GLY A 104 -0.656 20.264 63.538 1.00 41.34 C ATOM 653 O GLY A 104 0.093 21.242 63.594 1.00 38.02 O ATOM 654 H GLY A 104 -2.417 17.951 64.834 1.00 0.00 H ATOM 655 N LEU A 105 -1.344 19.956 62.443 1.00 27.34 N ATOM 656 CA LEU A 105 -1.379 20.841 61.293 1.00 32.52 C ATOM 657 C LEU A 105 -2.753 21.495 61.184 1.00 23.49 C ATOM 658 O LEU A 105 -3.761 20.904 61.584 1.00 26.23 O ATOM 659 CB LEU A 105 -1.068 20.088 59.994 1.00 32.64 C ATOM 660 CG LEU A 105 0.320 19.447 59.918 1.00 36.08 C ATOM 661 CD1 LEU A 105 0.430 18.547 58.698 1.00 31.25 C ATOM 662 CD2 LEU A 105 1.409 20.508 59.895 1.00 36.32 C ATOM 663 H LEU A 105 -1.870 19.059 62.410 1.00 0.00 H ATOM 664 N PRO A 106 -2.830 22.714 60.652 1.00 35.86 N ATOM 665 CA PRO A 106 -4.103 23.443 60.664 1.00 34.95 C ATOM 666 C PRO A 106 -5.079 22.943 59.611 1.00 30.61 C ATOM 667 O PRO A 106 -4.706 22.645 58.473 1.00 28.54 O ATOM 668 CB PRO A 106 -3.679 24.888 60.379 1.00 32.98 C ATOM 669 CG PRO A 106 -2.442 24.749 59.560 1.00 40.53 C ATOM 670 CD PRO A 106 -1.740 23.514 60.066 1.00 30.54 C ATOM 671 N VAL A 107 -6.344 22.857 60.011 1.00 25.75 N ATOM 672 CA VAL A 107 -7.437 22.555 59.093 1.00 18.44 C ATOM 673 C VAL A 107 -7.856 23.868 58.444 1.00 21.00 C ATOM 674 O VAL A 107 -8.473 24.719 59.088 1.00 30.54 O ATOM 675 CB VAL A 107 -8.618 21.894 59.813 1.00 21.82 C ATOM 676 CG1 VAL A 107 -9.708 21.516 58.814 1.00 19.52 C ATOM 677 CG2 VAL A 107 -8.156 20.677 60.600 1.00 22.48 C ATOM 678 H VAL A 107 -6.563 23.011 61.016 1.00 0.00 H ATOM 679 N THR A 108 -7.521 24.039 57.169 1.00 18.31 N ATOM 680 CA THR A 108 -7.798 25.292 56.480 1.00 20.69 C ATOM 681 C THR A 108 -9.090 25.267 55.681 1.00 21.47 C ATOM 682 O THR A 108 -9.718 26.317 55.513 1.00 21.26 O ATOM 683 CB THR A 108 -6.639 25.646 55.545 1.00 24.25 C ATOM 684 OG1 THR A 108 -6.358 24.534 54.687 1.00 22.97 O ATOM 685 CG2 THR A 108 -5.398 25.996 56.355 1.00 26.80 C ATOM 686 HG1 THR A 108 -5.608 24.766 54.083 1.00 0.00 H ATOM 687 H THR A 108 -7.053 23.265 56.655 1.00 0.00 H ATOM 688 N ARG A 109 -9.505 24.100 55.194 1.00 17.61 N ATOM 689 CA ARG A 109 -10.709 23.985 54.387 1.00 17.62 C ATOM 690 C ARG A 109 -11.453 22.713 54.761 1.00 24.53 C ATOM 691 O ARG A 109 -10.853 21.730 55.204 1.00 20.88 O ATOM 692 CB ARG A 109 -10.381 23.984 52.889 1.00 19.44 C ATOM 693 CG ARG A 109 -9.792 25.296 52.391 1.00 21.98 C ATOM 694 CD ARG A 109 -9.538 25.277 50.890 1.00 26.38 C ATOM 695 NE ARG A 109 -8.527 24.296 50.503 1.00 33.86 N ATOM 696 CZ ARG A 109 -8.085 24.131 49.259 1.00 40.94 C ATOM 697 NH1 ARG A 109 -8.564 24.881 48.275 1.00 30.53 N ATOM 698 NH2 ARG A 109 -7.163 23.215 48.996 1.00 31.88 N ATOM 699 HE ARG A 109 -8.128 23.688 51.247 1.00 0.00 H ATOM 700 HH12 ARG A 109 -8.216 24.749 47.304 1.00 0.00 H ATOM 701 HH11 ARG A 109 -9.288 25.601 48.475 1.00 0.00 H ATOM 702 HH22 ARG A 109 -6.819 23.088 48.023 1.00 0.00 H ATOM 703 HH21 ARG A 109 -6.784 22.624 49.763 1.00 0.00 H ATOM 704 H ARG A 109 -8.951 23.244 55.397 1.00 0.00 H ATOM 705 N ALA A 110 -12.771 22.748 54.579 1.00 14.32 N ATOM 706 CA ALA A 110 -13.632 21.603 54.833 1.00 12.51 C ATOM 707 C ALA A 110 -14.655 21.487 53.714 1.00 16.64 C ATOM 708 O ALA A 110 -15.227 22.492 53.282 1.00 20.49 O ATOM 709 CB ALA A 110 -14.349 21.725 56.183 1.00 17.14 C ATOM 710 H ALA A 110 -13.204 23.631 54.241 1.00 0.00 H ATOM 711 N VAL A 111 -14.877 20.260 53.248 1.00 16.98 N ATOM 712 CA VAL A 111 -15.894 19.959 52.247 1.00 16.65 C ATOM 713 C VAL A 111 -16.925 19.035 52.881 1.00 15.47 C ATOM 714 O VAL A 111 -16.566 18.010 53.471 1.00 14.35 O ATOM 715 CB VAL A 111 -15.286 19.305 50.993 1.00 12.80 C ATOM 716 CG1 VAL A 111 -16.388 18.843 50.042 1.00 17.94 C ATOM 717 CG2 VAL A 111 -14.343 20.266 50.289 1.00 17.58 C ATOM 718 H VAL A 111 -14.297 19.479 53.615 1.00 0.00 H ATOM 719 N SER A 112 -18.200 19.395 52.752 1.00 11.30 N ATOM 720 CA SER A 112 -19.309 18.538 53.156 1.00 15.65 C ATOM 721 C SER A 112 -19.863 17.837 51.921 1.00 19.22 C ATOM 722 O SER A 112 -20.140 18.491 50.910 1.00 14.77 O ATOM 723 CB SER A 112 -20.409 19.349 53.845 1.00 15.38 C ATOM 724 OG SER A 112 -19.943 19.938 55.049 1.00 16.53 O ATOM 725 HG SER A 112 -19.186 20.543 54.847 1.00 0.00 H ATOM 726 H SER A 112 -18.415 20.328 52.345 1.00 0.00 H ATOM 727 N THR A 113 -20.031 16.513 52.005 1.00 13.52 N ATOM 728 CA THR A 113 -20.353 15.712 50.827 1.00 16.61 C ATOM 729 C THR A 113 -21.849 15.472 50.627 1.00 16.85 C ATOM 730 O THR A 113 -22.235 14.961 49.571 1.00 16.47 O ATOM 731 CB THR A 113 -19.617 14.366 50.882 1.00 13.49 C ATOM 732 OG1 THR A 113 -19.955 13.669 52.089 1.00 19.09 O ATOM 733 CG2 THR A 113 -18.105 14.584 50.820 1.00 11.54 C ATOM 734 HG1 THR A 113 -19.691 14.217 52.870 1.00 0.00 H ATOM 735 H THR A 113 -19.930 16.044 52.928 1.00 0.00 H ATOM 736 N HIS A 114 -22.696 15.805 51.598 1.00 14.35 N ATOM 737 CA HIS A 114 -24.113 16.056 51.330 1.00 15.14 C ATOM 738 C HIS A 114 -24.679 16.817 52.525 1.00 11.73 C ATOM 739 O HIS A 114 -23.936 17.226 53.425 1.00 14.01 O ATOM 740 CB HIS A 114 -24.883 14.767 50.982 1.00 12.97 C ATOM 741 CG HIS A 114 -25.013 13.771 52.095 1.00 12.13 C ATOM 742 ND1 HIS A 114 -24.043 12.831 52.370 1.00 9.92 N ATOM 743 CD2 HIS A 114 -26.040 13.505 52.938 1.00 15.29 C ATOM 744 CE1 HIS A 114 -24.444 12.065 53.369 1.00 11.89 C ATOM 745 NE2 HIS A 114 -25.654 12.450 53.731 1.00 12.37 N ATOM 746 H HIS A 114 -22.342 15.889 52.572 1.00 0.00 H ATOM 747 N PHE A 115 -25.992 17.039 52.523 1.00 14.15 N ATOM 748 CA PHE A 115 -26.599 18.052 53.381 1.00 13.00 C ATOM 749 C PHE A 115 -27.049 17.531 54.740 1.00 18.01 C ATOM 750 O PHE A 115 -27.558 18.322 55.542 1.00 15.71 O ATOM 751 CB PHE A 115 -27.799 18.699 52.672 1.00 17.26 C ATOM 752 CG PHE A 115 -28.995 17.792 52.517 1.00 18.08 C ATOM 753 CD1 PHE A 115 -29.109 16.954 51.420 1.00 21.12 C ATOM 754 CD2 PHE A 115 -30.020 17.800 53.454 1.00 18.92 C ATOM 755 CE1 PHE A 115 -30.211 16.130 51.267 1.00 15.65 C ATOM 756 CE2 PHE A 115 -31.126 16.976 53.303 1.00 24.46 C ATOM 757 CZ PHE A 115 -31.219 16.141 52.207 1.00 18.23 C ATOM 758 H PHE A 115 -26.600 16.477 51.894 1.00 0.00 H ATOM 759 N HIS A 116 -26.877 16.244 55.028 1.00 13.40 N ATOM 760 CA HIS A 116 -27.340 15.702 56.296 1.00 14.30 C ATOM 761 C HIS A 116 -26.404 16.112 57.434 1.00 19.77 C ATOM 762 O HIS A 116 -25.275 16.560 57.218 1.00 15.73 O ATOM 763 CB HIS A 116 -27.460 14.177 56.217 1.00 15.14 C ATOM 764 CG HIS A 116 -28.620 13.703 55.395 1.00 13.47 C ATOM 765 ND1 HIS A 116 -28.686 12.435 54.859 1.00 13.27 N ATOM 766 CD2 HIS A 116 -29.762 14.328 55.020 1.00 13.65 C ATOM 767 CE1 HIS A 116 -29.817 12.299 54.188 1.00 15.12 C ATOM 768 NE2 HIS A 116 -30.488 13.434 54.271 1.00 17.63 N ATOM 769 H HIS A 116 -26.408 15.620 54.341 1.00 0.00 H ATOM 770 N ASP A 117 -26.896 15.944 58.666 1.00 17.91 N ATOM 771 CA ASP A 117 -26.202 16.448 59.848 1.00 12.20 C ATOM 772 C ASP A 117 -24.878 15.746 60.110 1.00 13.43 C ATOM 773 O ASP A 117 -24.018 16.318 60.789 1.00 12.63 O ATOM 774 CB ASP A 117 -27.091 16.312 61.086 1.00 19.68 C ATOM 775 CG ASP A 117 -28.202 17.338 61.122 1.00 28.28 C ATOM 776 OD1 ASP A 117 -27.939 18.515 60.801 1.00 27.84 O ATOM 777 OD2 ASP A 117 -29.341 16.968 61.474 1.00 29.27 O ATOM 778 H ASP A 117 -27.798 15.440 58.786 1.00 0.00 H ATOM 779 N ASP A 118 -24.690 14.525 59.615 1.00 15.87 N ATOM 780 CA ASP A 118 -23.394 13.879 59.773 1.00 18.67 C ATOM 781 C ASP A 118 -22.360 14.418 58.795 1.00 21.50 C ATOM 782 O ASP A 118 -21.210 13.966 58.819 1.00 16.07 O ATOM 783 CB ASP A 118 -23.524 12.357 59.629 1.00 12.79 C ATOM 784 CG ASP A 118 -24.097 11.927 58.293 1.00 16.41 C ATOM 785 OD1 ASP A 118 -24.758 12.745 57.621 1.00 17.44 O ATOM 786 OD2 ASP A 118 -23.894 10.750 57.926 1.00 18.49 O ATOM 787 H ASP A 118 -25.462 14.036 59.119 1.00 0.00 H ATOM 788 N ARG A 119 -22.737 15.385 57.960 1.00 14.30 N ATOM 789 CA ARG A 119 -21.838 16.017 57.003 1.00 11.46 C ATOM 790 C ARG A 119 -21.718 17.519 57.206 1.00 15.05 C ATOM 791 O ARG A 119 -20.631 18.073 57.021 1.00 17.22 O ATOM 792 CB ARG A 119 -22.317 15.733 55.568 1.00 12.83 C ATOM 793 CG ARG A 119 -22.684 14.275 55.300 1.00 13.47 C ATOM 794 CD ARG A 119 -21.467 13.364 55.291 1.00 12.65 C ATOM 795 NE ARG A 119 -21.700 12.139 56.047 1.00 14.41 N ATOM 796 CZ ARG A 119 -20.739 11.326 56.477 1.00 13.33 C ATOM 797 NH1 ARG A 119 -19.467 11.603 56.234 1.00 17.41 N ATOM 798 NH2 ARG A 119 -21.048 10.236 57.162 1.00 15.16 N ATOM 799 HE ARG A 119 -22.684 11.884 56.265 1.00 0.00 H ATOM 800 HH12 ARG A 119 -18.721 10.962 56.573 1.00 0.00 H ATOM 801 HH11 ARG A 119 -19.214 12.461 55.704 1.00 0.00 H ATOM 802 HH22 ARG A 119 -20.295 9.602 57.497 1.00 0.00 H ATOM 803 HH21 ARG A 119 -22.044 10.014 57.365 1.00 0.00 H ATOM 804 H ARG A 119 -23.726 15.706 57.993 1.00 0.00 H ATOM 805 N VAL A 120 -22.804 18.198 57.583 1.00 15.77 N ATOM 806 CA VAL A 120 -22.780 19.639 57.829 1.00 19.05 C ATOM 807 C VAL A 120 -22.974 19.991 59.296 1.00 13.19 C ATOM 808 O VAL A 120 -22.755 21.156 59.668 1.00 17.00 O ATOM 809 CB VAL A 120 -23.839 20.380 56.982 1.00 14.27 C ATOM 810 CG1 VAL A 120 -23.560 20.213 55.494 1.00 13.40 C ATOM 811 CG2 VAL A 120 -25.243 19.898 57.334 1.00 18.71 C ATOM 812 H VAL A 120 -23.699 17.683 57.706 1.00 0.00 H ATOM 813 N GLY A 121 -23.395 19.046 60.134 1.00 18.70 N ATOM 814 CA GLY A 121 -23.579 19.321 61.544 1.00 18.39 C ATOM 815 C GLY A 121 -22.247 19.554 62.221 1.00 18.47 C ATOM 816 O GLY A 121 -21.462 18.618 62.399 1.00 16.21 O ATOM 817 H GLY A 121 -23.595 18.093 59.769 1.00 0.00 H ATOM 818 N GLY A 122 -21.984 20.801 62.604 1.00 15.54 N ATOM 819 CA GLY A 122 -20.668 21.221 63.056 1.00 18.24 C ATOM 820 C GLY A 122 -20.016 22.253 62.158 1.00 17.92 C ATOM 821 O GLY A 122 -18.924 22.736 62.488 1.00 18.64 O ATOM 822 H GLY A 122 -22.751 21.503 62.579 1.00 0.00 H ATOM 823 N VAL A 123 -20.639 22.609 61.034 1.00 17.22 N ATOM 824 CA VAL A 123 -20.079 23.624 60.146 1.00 12.91 C ATOM 825 C VAL A 123 -19.918 24.951 60.877 1.00 16.90 C ATOM 826 O VAL A 123 -18.948 25.685 60.650 1.00 19.76 O ATOM 827 CB VAL A 123 -20.963 23.758 58.889 1.00 16.98 C ATOM 828 CG1 VAL A 123 -20.895 25.166 58.303 1.00 19.07 C ATOM 829 CG2 VAL A 123 -20.546 22.728 57.850 1.00 18.96 C ATOM 830 H VAL A 123 -21.541 22.155 60.785 1.00 0.00 H ATOM 831 N ASP A 124 -20.862 25.290 61.760 1.00 18.19 N ATOM 832 CA ASP A 124 -20.763 26.550 62.489 1.00 18.23 C ATOM 833 C ASP A 124 -19.552 26.552 63.416 1.00 26.34 C ATOM 834 O ASP A 124 -18.902 27.588 63.599 1.00 22.82 O ATOM 835 CB ASP A 124 -22.049 26.812 63.278 1.00 18.53 C ATOM 836 CG ASP A 124 -23.233 27.155 62.382 1.00 30.56 C ATOM 837 OD1 ASP A 124 -23.046 27.278 61.153 1.00 22.10 O ATOM 838 OD2 ASP A 124 -24.353 27.316 62.911 1.00 22.80 O ATOM 839 H ASP A 124 -21.668 24.655 61.928 1.00 0.00 H ATOM 840 N VAL A 125 -19.232 25.398 64.003 1.00 18.14 N ATOM 841 CA VAL A 125 -18.029 25.283 64.823 1.00 17.05 C ATOM 842 C VAL A 125 -16.783 25.443 63.960 1.00 20.25 C ATOM 843 O VAL A 125 -15.849 26.169 64.319 1.00 21.83 O ATOM 844 CB VAL A 125 -18.030 23.940 65.577 1.00 20.16 C ATOM 845 CG1 VAL A 125 -16.640 23.614 66.109 1.00 26.70 C ATOM 846 CG2 VAL A 125 -19.047 23.979 66.715 1.00 24.42 C ATOM 847 H VAL A 125 -19.847 24.569 63.875 1.00 0.00 H ATOM 848 N LEU A 126 -16.742 24.752 62.819 1.00 20.49 N ATOM 849 CA LEU A 126 -15.616 24.902 61.903 1.00 16.30 C ATOM 850 C LEU A 126 -15.433 26.361 61.507 1.00 19.18 C ATOM 851 O LEU A 126 -14.328 26.908 61.598 1.00 21.18 O ATOM 852 CB LEU A 126 -15.828 24.035 60.661 1.00 19.57 C ATOM 853 CG LEU A 126 -15.837 22.516 60.843 1.00 14.88 C ATOM 854 CD1 LEU A 126 -16.207 21.836 59.531 1.00 17.83 C ATOM 855 CD2 LEU A 126 -14.490 22.018 61.340 1.00 16.33 C ATOM 856 H LEU A 126 -17.518 24.102 62.581 1.00 0.00 H ATOM 857 N ARG A 127 -16.514 27.010 61.066 1.00 21.09 N ATOM 858 CA ARG A 127 -16.422 28.407 60.657 1.00 23.04 C ATOM 859 C ARG A 127 -15.880 29.277 61.784 1.00 24.60 C ATOM 860 O ARG A 127 -15.017 30.133 61.557 1.00 20.83 O ATOM 861 CB ARG A 127 -17.792 28.913 60.204 1.00 23.28 C ATOM 862 CG ARG A 127 -17.786 30.368 59.758 1.00 21.86 C ATOM 863 CD ARG A 127 -19.173 30.851 59.372 1.00 35.03 C ATOM 864 NE ARG A 127 -19.748 30.041 58.304 1.00 29.60 N ATOM 865 CZ ARG A 127 -20.730 29.158 58.459 1.00 36.10 C ATOM 866 NH1 ARG A 127 -21.288 28.955 59.646 1.00 34.87 N ATOM 867 NH2 ARG A 127 -21.164 28.477 57.410 1.00 30.27 N ATOM 868 HE ARG A 127 -19.360 30.164 57.347 1.00 0.00 H ATOM 869 HH12 ARG A 127 -22.055 28.260 59.748 1.00 0.00 H ATOM 870 HH11 ARG A 127 -20.958 29.491 60.474 1.00 0.00 H ATOM 871 HH22 ARG A 127 -21.932 27.784 57.521 1.00 0.00 H ATOM 872 HH21 ARG A 127 -20.737 28.635 56.475 1.00 0.00 H ATOM 873 H ARG A 127 -17.428 26.516 61.014 1.00 0.00 H ATOM 874 N ALA A 128 -16.375 29.073 63.009 1.00 23.11 N ATOM 875 CA ALA A 128 -15.926 29.888 64.133 1.00 29.65 C ATOM 876 C ALA A 128 -14.442 29.689 64.406 1.00 27.70 C ATOM 877 O ALA A 128 -13.779 30.593 64.927 1.00 28.43 O ATOM 878 CB ALA A 128 -16.741 29.554 65.383 1.00 26.38 C ATOM 879 H ALA A 128 -17.085 28.328 63.162 1.00 0.00 H ATOM 880 N ALA A 129 -13.909 28.520 64.062 1.00 23.51 N ATOM 881 CA ALA A 129 -12.502 28.203 64.259 1.00 25.73 C ATOM 882 C ALA A 129 -11.619 28.692 63.119 1.00 27.97 C ATOM 883 O ALA A 129 -10.404 28.473 63.159 1.00 27.90 O ATOM 884 CB ALA A 129 -12.327 26.690 64.422 1.00 24.12 C ATOM 885 H ALA A 129 -14.525 27.800 63.633 1.00 0.00 H ATOM 886 N GLY A 130 -12.193 29.338 62.107 1.00 22.86 N ATOM 887 CA GLY A 130 -11.427 29.849 60.990 1.00 20.47 C ATOM 888 C GLY A 130 -11.303 28.909 59.813 1.00 20.79 C ATOM 889 O GLY A 130 -10.520 29.192 58.898 1.00 21.40 O ATOM 890 H GLY A 130 -13.223 29.480 62.119 1.00 0.00 H ATOM 891 N VAL A 131 -12.043 27.804 59.807 1.00 19.59 N ATOM 892 CA VAL A 131 -12.019 26.864 58.692 1.00 17.52 C ATOM 893 C VAL A 131 -12.954 27.366 57.601 1.00 17.37 C ATOM 894 O VAL A 131 -14.109 27.718 57.870 1.00 20.17 O ATOM 895 CB VAL A 131 -12.433 25.458 59.155 1.00 16.59 C ATOM 896 CG1 VAL A 131 -12.362 24.476 57.989 1.00 15.57 C ATOM 897 CG2 VAL A 131 -11.569 24.994 60.321 1.00 21.76 C ATOM 898 H VAL A 131 -12.657 27.604 60.622 1.00 0.00 H ATOM 899 N ALA A 132 -12.462 27.389 56.365 1.00 19.93 N ATOM 900 CA ALA A 132 -13.306 27.707 55.219 1.00 19.78 C ATOM 901 C ALA A 132 -14.122 26.473 54.852 1.00 21.31 C ATOM 902 O ALA A 132 -13.556 25.431 54.503 1.00 19.54 O ATOM 903 CB ALA A 132 -12.457 28.170 54.037 1.00 17.67 C ATOM 904 H ALA A 132 -11.455 27.176 56.213 1.00 0.00 H ATOM 905 N THR A 133 -15.444 26.585 54.934 1.00 19.97 N ATOM 906 CA THR A 133 -16.335 25.457 54.701 1.00 16.52 C ATOM 907 C THR A 133 -16.886 25.512 53.280 1.00 18.73 C ATOM 908 O THR A 133 -17.198 26.589 52.765 1.00 18.42 O ATOM 909 CB THR A 133 -17.475 25.442 55.727 1.00 14.44 C ATOM 910 OG1 THR A 133 -18.195 26.683 55.691 1.00 16.59 O ATOM 911 CG2 THR A 133 -16.919 25.228 57.127 1.00 15.85 C ATOM 912 HG1 THR A 133 -17.578 27.427 55.904 1.00 0.00 H ATOM 913 H THR A 133 -15.856 27.510 55.173 1.00 0.00 H ATOM 914 N TYR A 134 -16.984 24.343 52.644 1.00 15.51 N ATOM 915 CA TYR A 134 -17.341 24.250 51.235 1.00 15.83 C ATOM 916 C TYR A 134 -18.408 23.188 51.012 1.00 14.81 C ATOM 917 O TYR A 134 -18.446 22.163 51.699 1.00 18.11 O ATOM 918 CB TYR A 134 -16.127 23.900 50.362 1.00 17.49 C ATOM 919 CG TYR A 134 -15.092 24.991 50.229 1.00 20.46 C ATOM 920 CD1 TYR A 134 -14.159 25.215 51.230 1.00 21.19 C ATOM 921 CD2 TYR A 134 -15.033 25.781 49.088 1.00 22.70 C ATOM 922 CE1 TYR A 134 -13.202 26.201 51.105 1.00 22.71 C ATOM 923 CE2 TYR A 134 -14.082 26.771 48.955 1.00 25.07 C ATOM 924 CZ TYR A 134 -13.168 26.977 49.967 1.00 26.21 C ATOM 925 OH TYR A 134 -12.218 27.962 49.844 1.00 31.24 O ATOM 926 HH TYR A 134 -12.665 28.839 49.742 1.00 0.00 H ATOM 927 H TYR A 134 -16.799 23.467 53.173 1.00 0.00 H ATOM 928 N ALA A 135 -19.265 23.443 50.027 1.00 17.03 N ATOM 929 CA ALA A 135 -20.200 22.443 49.535 1.00 15.60 C ATOM 930 C ALA A 135 -20.719 22.904 48.182 1.00 14.28 C ATOM 931 O ALA A 135 -20.560 24.067 47.800 1.00 17.89 O ATOM 932 CB ALA A 135 -21.354 22.215 50.516 1.00 12.32 C ATOM 933 H ALA A 135 -19.267 24.389 49.594 1.00 0.00 H ATOM 934 N SER A 136 -21.323 21.974 47.450 1.00 17.65 N ATOM 935 CA SER A 136 -21.937 22.320 46.182 1.00 17.70 C ATOM 936 C SER A 136 -23.154 23.208 46.423 1.00 23.32 C ATOM 937 O SER A 136 -23.764 23.163 47.493 1.00 19.73 O ATOM 938 CB SER A 136 -22.368 21.066 45.435 1.00 16.71 C ATOM 939 OG SER A 136 -23.518 20.508 46.047 1.00 19.56 O ATOM 940 HG SER A 136 -23.790 19.694 45.554 1.00 0.00 H ATOM 941 H SER A 136 -21.356 20.991 47.788 1.00 0.00 H ATOM 942 N PRO A 137 -23.534 24.023 45.439 1.00 22.11 N ATOM 943 CA PRO A 137 -24.795 24.768 45.574 1.00 19.99 C ATOM 944 C PRO A 137 -25.981 23.863 45.858 1.00 27.16 C ATOM 945 O PRO A 137 -26.909 24.267 46.569 1.00 21.31 O ATOM 946 CB PRO A 137 -24.931 25.479 44.221 1.00 24.81 C ATOM 947 CG PRO A 137 -23.545 25.558 43.687 1.00 32.35 C ATOM 948 CD PRO A 137 -22.840 24.330 44.175 1.00 19.24 C ATOM 949 N SER A 138 -25.969 22.639 45.324 1.00 21.02 N ATOM 950 CA SER A 138 -27.044 21.689 45.591 1.00 18.55 C ATOM 951 C SER A 138 -27.112 21.353 47.074 1.00 17.28 C ATOM 952 O SER A 138 -28.188 21.376 47.684 1.00 20.47 O ATOM 953 CB SER A 138 -26.833 20.422 44.760 1.00 25.88 C ATOM 954 OG SER A 138 -27.808 19.439 45.061 1.00 27.99 O ATOM 955 HG SER A 138 -27.645 18.634 44.509 1.00 0.00 H ATOM 956 H SER A 138 -25.180 22.358 44.707 1.00 0.00 H ATOM 957 N THR A 139 -25.965 21.033 47.673 1.00 15.15 N ATOM 958 CA THR A 139 -25.933 20.721 49.096 1.00 13.98 C ATOM 959 C THR A 139 -26.338 21.928 49.935 1.00 16.92 C ATOM 960 O THR A 139 -27.101 21.794 50.898 1.00 15.50 O ATOM 961 CB THR A 139 -24.537 20.237 49.486 1.00 14.96 C ATOM 962 OG1 THR A 139 -24.255 18.997 48.819 1.00 17.24 O ATOM 963 CG2 THR A 139 -24.432 20.037 50.986 1.00 14.32 C ATOM 964 HG1 THR A 139 -24.926 18.320 49.086 1.00 0.00 H ATOM 965 H THR A 139 -25.085 21.006 47.120 1.00 0.00 H ATOM 966 N ARG A 140 -25.832 23.115 49.589 1.00 17.34 N ATOM 967 CA ARG A 140 -26.155 24.307 50.370 1.00 22.29 C ATOM 968 C ARG A 140 -27.649 24.603 50.325 1.00 23.44 C ATOM 969 O ARG A 140 -28.249 24.973 51.342 1.00 21.16 O ATOM 970 CB ARG A 140 -25.351 25.506 49.860 1.00 21.43 C ATOM 971 CG ARG A 140 -23.842 25.328 49.982 1.00 20.89 C ATOM 972 CD ARG A 140 -23.067 26.539 49.480 1.00 20.86 C ATOM 973 NE ARG A 140 -23.211 27.694 50.364 1.00 21.63 N ATOM 974 CZ ARG A 140 -24.039 28.712 50.152 1.00 22.93 C ATOM 975 NH1 ARG A 140 -24.815 28.743 49.075 1.00 27.77 N ATOM 976 NH2 ARG A 140 -24.089 29.709 51.024 1.00 31.64 N ATOM 977 HE ARG A 140 -22.623 27.721 51.221 1.00 0.00 H ATOM 978 HH12 ARG A 140 -25.459 29.545 48.921 1.00 0.00 H ATOM 979 HH11 ARG A 140 -24.779 27.965 48.386 1.00 0.00 H ATOM 980 HH22 ARG A 140 -24.735 30.508 50.864 1.00 0.00 H ATOM 981 HH21 ARG A 140 -23.482 29.692 51.869 1.00 0.00 H ATOM 982 H ARG A 140 -25.207 23.191 48.762 1.00 0.00 H ATOM 983 N ARG A 141 -28.266 24.441 49.154 1.00 17.19 N ATOM 984 CA ARG A 141 -29.700 24.673 49.024 1.00 17.78 C ATOM 985 C ARG A 141 -30.492 23.699 49.888 1.00 21.80 C ATOM 986 O ARG A 141 -31.389 24.101 50.639 1.00 19.12 O ATOM 987 CB ARG A 141 -30.106 24.548 47.555 1.00 22.87 C ATOM 988 CG ARG A 141 -31.552 24.895 47.267 1.00 30.15 C ATOM 989 CD ARG A 141 -31.912 24.624 45.810 1.00 33.15 C ATOM 990 NE ARG A 141 -31.041 25.330 44.868 1.00 39.91 N ATOM 991 CZ ARG A 141 -30.173 24.746 44.042 1.00 41.61 C ATOM 992 NH1 ARG A 141 -30.036 23.424 44.011 1.00 45.02 N ATOM 993 NH2 ARG A 141 -29.435 25.493 43.232 1.00 44.36 N ATOM 994 HE ARG A 141 -31.105 26.368 44.841 1.00 0.00 H ATOM 995 HH12 ARG A 141 -29.353 22.987 43.359 1.00 0.00 H ATOM 996 HH11 ARG A 141 -30.612 22.827 44.638 1.00 0.00 H ATOM 997 HH22 ARG A 141 -28.756 25.044 42.585 1.00 0.00 H ATOM 998 HH21 ARG A 141 -29.535 26.528 43.244 1.00 0.00 H ATOM 999 H ARG A 141 -27.717 24.145 48.322 1.00 0.00 H ATOM 1000 N LEU A 142 -30.169 22.407 49.796 1.00 19.27 N ATOM 1001 CA LEU A 142 -30.908 21.396 50.544 1.00 20.40 C ATOM 1002 C LEU A 142 -30.677 21.515 52.045 1.00 17.02 C ATOM 1003 O LEU A 142 -31.588 21.231 52.832 1.00 20.80 O ATOM 1004 CB LEU A 142 -30.518 20.004 50.056 1.00 18.98 C ATOM 1005 CG LEU A 142 -31.016 19.672 48.649 1.00 19.98 C ATOM 1006 CD1 LEU A 142 -30.264 18.481 48.085 1.00 20.53 C ATOM 1007 CD2 LEU A 142 -32.516 19.408 48.666 1.00 19.80 C ATOM 1008 H LEU A 142 -29.380 22.118 49.183 1.00 0.00 H ATOM 1009 N ALA A 143 -29.475 21.913 52.464 1.00 21.80 N ATOM 1010 CA ALA A 143 -29.251 22.186 53.880 1.00 21.56 C ATOM 1011 C ALA A 143 -30.144 23.323 54.355 1.00 15.78 C ATOM 1012 O ALA A 143 -30.775 23.234 55.416 1.00 18.11 O ATOM 1013 CB ALA A 143 -27.779 22.516 54.129 1.00 15.88 C ATOM 1014 H ALA A 143 -28.698 22.029 51.782 1.00 0.00 H ATOM 1015 N GLU A 144 -30.222 24.401 53.571 1.00 19.95 N ATOM 1016 CA GLU A 144 -31.053 25.535 53.961 1.00 21.22 C ATOM 1017 C GLU A 144 -32.514 25.126 54.091 1.00 25.12 C ATOM 1018 O GLU A 144 -33.192 25.510 55.051 1.00 20.61 O ATOM 1019 CB GLU A 144 -30.904 26.671 52.949 1.00 18.69 C ATOM 1020 CG GLU A 144 -31.614 27.953 53.361 1.00 22.28 C ATOM 1021 CD GLU A 144 -31.443 29.069 52.347 1.00 37.84 C ATOM 1022 OE1 GLU A 144 -31.881 30.203 52.631 1.00 50.02 O ATOM 1023 OE2 GLU A 144 -30.870 28.813 51.267 1.00 46.98 O ATOM 1024 H GLU A 144 -29.688 24.432 52.679 1.00 0.00 H ATOM 1025 N VAL A 145 -33.020 24.347 53.132 1.00 21.85 N ATOM 1026 CA VAL A 145 -34.406 23.894 53.198 1.00 29.90 C ATOM 1027 C VAL A 145 -34.641 23.095 54.472 1.00 22.67 C ATOM 1028 O VAL A 145 -35.679 23.235 55.131 1.00 31.25 O ATOM 1029 CB VAL A 145 -34.757 23.071 51.945 1.00 34.73 C ATOM 1030 CG1 VAL A 145 -36.135 22.445 52.088 1.00 25.60 C ATOM 1031 CG2 VAL A 145 -34.695 23.945 50.702 1.00 34.45 C ATOM 1032 H VAL A 145 -32.422 24.061 52.331 1.00 0.00 H ATOM 1033 N GLU A 146 -33.685 22.244 54.834 1.00 22.08 N ATOM 1034 CA GLU A 146 -33.821 21.373 55.991 1.00 18.26 C ATOM 1035 C GLU A 146 -33.622 22.105 57.310 1.00 30.43 C ATOM 1036 O GLU A 146 -33.904 21.530 58.367 1.00 23.30 O ATOM 1037 CB GLU A 146 -32.814 20.225 55.890 1.00 25.95 C ATOM 1038 CG GLU A 146 -33.267 18.941 56.550 1.00 33.68 C ATOM 1039 CD GLU A 146 -34.400 18.271 55.795 1.00 42.05 C ATOM 1040 OE1 GLU A 146 -34.616 18.618 54.614 1.00 40.03 O ATOM 1041 OE2 GLU A 146 -35.075 17.400 56.383 1.00 59.54 O ATOM 1042 H GLU A 146 -32.812 22.200 54.271 1.00 0.00 H ATOM 1043 N GLY A 147 -33.154 23.349 57.277 1.00 20.26 N ATOM 1044 CA GLY A 147 -32.815 24.049 58.498 1.00 23.74 C ATOM 1045 C GLY A 147 -31.495 23.630 59.101 1.00 19.31 C ATOM 1046 O GLY A 147 -31.255 23.898 60.284 1.00 20.10 O ATOM 1047 H GLY A 147 -33.030 23.826 56.361 1.00 0.00 H ATOM 1048 N ASN A 148 -30.634 22.975 58.327 1.00 16.09 N ATOM 1049 CA ASN A 148 -29.327 22.545 58.801 1.00 15.02 C ATOM 1050 C ASN A 148 -28.292 23.651 58.598 1.00 17.60 C ATOM 1051 O ASN A 148 -28.551 24.679 57.967 1.00 21.00 O ATOM 1052 CB ASN A 148 -28.879 21.273 58.076 1.00 18.75 C ATOM 1053 CG ASN A 148 -29.850 20.117 58.253 1.00 20.92 C ATOM 1054 OD1 ASN A 148 -30.748 20.163 59.092 1.00 22.97 O ATOM 1055 ND2 ASN A 148 -29.660 19.062 57.465 1.00 19.36 N ATOM 1056 HD22 ASN A 148 -28.888 19.066 56.769 1.00 0.00 H ATOM 1057 HD21 ASN A 148 -30.284 18.234 57.545 1.00 0.00 H ATOM 1058 H ASN A 148 -30.905 22.762 57.346 1.00 0.00 H ATOM 1059 N GLU A 149 -27.100 23.422 59.143 1.00 17.77 N ATOM 1060 CA GLU A 149 -26.006 24.366 58.976 1.00 20.97 C ATOM 1061 C GLU A 149 -25.537 24.372 57.525 1.00 20.32 C ATOM 1062 O GLU A 149 -25.623 23.365 56.816 1.00 19.46 O ATOM 1063 CB GLU A 149 -24.853 24.016 59.919 1.00 21.62 C ATOM 1064 CG GLU A 149 -25.225 24.143 61.393 1.00 19.23 C ATOM 1065 CD GLU A 149 -24.291 23.374 62.307 1.00 23.66 C ATOM 1066 OE1 GLU A 149 -23.070 23.637 62.278 1.00 23.53 O ATOM 1067 OE2 GLU A 149 -24.781 22.498 63.053 1.00 37.08 O ATOM 1068 H GLU A 149 -26.948 22.555 59.697 1.00 0.00 H ATOM 1069 N ILE A 150 -25.038 25.524 57.088 1.00 15.50 N ATOM 1070 CA ILE A 150 -24.796 25.776 55.669 1.00 19.28 C ATOM 1071 C ILE A 150 -23.335 26.151 55.446 1.00 22.01 C ATOM 1072 O ILE A 150 -22.903 27.232 55.872 1.00 18.31 O ATOM 1073 CB ILE A 150 -25.716 26.887 55.140 1.00 18.93 C ATOM 1074 CG1 ILE A 150 -27.184 26.546 55.409 1.00 26.66 C ATOM 1075 CG2 ILE A 150 -25.487 27.103 53.647 1.00 22.63 C ATOM 1076 CD1 ILE A 150 -28.133 27.702 55.172 1.00 30.72 C ATOM 1077 H ILE A 150 -24.813 26.269 57.778 1.00 0.00 H ATOM 1078 N PRO A 151 -22.546 25.304 54.784 1.00 15.30 N ATOM 1079 CA PRO A 151 -21.189 25.709 54.402 1.00 22.16 C ATOM 1080 C PRO A 151 -21.190 27.041 53.662 1.00 21.25 C ATOM 1081 O PRO A 151 -22.112 27.357 52.907 1.00 17.46 O ATOM 1082 CB PRO A 151 -20.721 24.559 53.504 1.00 14.93 C ATOM 1083 CG PRO A 151 -21.481 23.374 54.012 1.00 20.36 C ATOM 1084 CD PRO A 151 -22.822 23.900 54.435 1.00 15.17 C ATOM 1085 N THR A 152 -20.130 27.822 53.883 1.00 16.22 N ATOM 1086 CA THR A 152 -20.086 29.191 53.375 1.00 18.03 C ATOM 1087 C THR A 152 -19.862 29.225 51.867 1.00 23.60 C ATOM 1088 O THR A 152 -20.558 29.947 51.143 1.00 22.30 O ATOM 1089 CB THR A 152 -18.986 29.977 54.093 1.00 21.50 C ATOM 1090 OG1 THR A 152 -19.364 30.197 55.457 1.00 25.80 O ATOM 1091 CG2 THR A 152 -18.738 31.325 53.413 1.00 19.05 C ATOM 1092 HG1 THR A 152 -18.651 30.705 55.918 1.00 0.00 H ATOM 1093 H THR A 152 -19.324 27.450 54.425 1.00 0.00 H ATOM 1094 N HIS A 153 -18.882 28.473 51.378 1.00 19.11 N ATOM 1095 CA HIS A 153 -18.452 28.569 49.991 1.00 18.03 C ATOM 1096 C HIS A 153 -19.150 27.531 49.122 1.00 18.47 C ATOM 1097 O HIS A 153 -19.523 26.451 49.586 1.00 18.86 O ATOM 1098 CB HIS A 153 -16.940 28.387 49.890 1.00 22.72 C ATOM 1099 CG HIS A 153 -16.163 29.483 50.545 1.00 21.25 C ATOM 1100 ND1 HIS A 153 -15.788 30.626 49.877 1.00 21.42 N ATOM 1101 CD2 HIS A 153 -15.709 29.619 51.813 1.00 18.25 C ATOM 1102 CE1 HIS A 153 -15.126 31.418 50.702 1.00 28.66 C ATOM 1103 NE2 HIS A 153 -15.064 30.830 51.882 1.00 19.75 N ATOM 1104 H HIS A 153 -18.407 27.794 52.006 1.00 0.00 H ATOM 1105 N SER A 154 -19.306 27.869 47.843 1.00 19.30 N ATOM 1106 CA SER A 154 -19.987 27.023 46.871 1.00 18.22 C ATOM 1107 C SER A 154 -18.974 26.401 45.919 1.00 18.44 C ATOM 1108 O SER A 154 -18.144 27.109 45.338 1.00 25.39 O ATOM 1109 CB SER A 154 -21.020 27.824 46.075 1.00 24.99 C ATOM 1110 OG SER A 154 -22.017 28.357 46.927 1.00 29.30 O ATOM 1111 HG SER A 154 -21.595 28.956 47.593 1.00 0.00 H ATOM 1112 H SER A 154 -18.923 28.781 47.522 1.00 0.00 H ATOM 1113 N LEU A 155 -19.059 25.084 45.749 1.00 18.85 N ATOM 1114 CA LEU A 155 -18.174 24.348 44.852 1.00 18.20 C ATOM 1115 C LEU A 155 -18.821 24.277 43.473 1.00 29.82 C ATOM 1116 O LEU A 155 -19.834 23.594 43.288 1.00 25.51 O ATOM 1117 CB LEU A 155 -17.898 22.950 45.399 1.00 24.65 C ATOM 1118 CG LEU A 155 -17.062 22.874 46.680 1.00 24.04 C ATOM 1119 CD1 LEU A 155 -17.163 21.489 47.298 1.00 24.45 C ATOM 1120 CD2 LEU A 155 -15.610 23.225 46.387 1.00 26.90 C ATOM 1121 H LEU A 155 -19.785 24.558 46.276 1.00 0.00 H ATOM 1122 N GLU A 156 -18.234 24.976 42.506 1.00 31.03 N ATOM 1123 CA GLU A 156 -18.764 24.994 41.153 1.00 32.29 C ATOM 1124 C GLU A 156 -18.311 23.761 40.375 1.00 28.83 C ATOM 1125 O GLU A 156 -17.350 23.077 40.740 1.00 28.82 O ATOM 1126 CB GLU A 156 -18.315 26.257 40.416 1.00 35.62 C ATOM 1127 CG GLU A 156 -18.716 27.555 41.096 1.00 48.34 C ATOM 1128 CD GLU A 156 -20.217 27.693 41.251 1.00 56.27 C ATOM 1129 OE1 GLU A 156 -20.661 28.266 42.267 1.00 55.32 O ATOM 1130 OE2 GLU A 156 -20.953 27.221 40.359 1.00 68.14 O ATOM 1131 H GLU A 156 -17.376 25.522 42.723 1.00 0.00 H ATOM 1132 N GLY A 157 -19.028 23.480 39.288 1.00 33.36 N ATOM 1133 CA GLY A 157 -18.620 22.444 38.360 1.00 33.51 C ATOM 1134 C GLY A 157 -18.974 21.030 38.762 1.00 29.29 C ATOM 1135 O GLY A 157 -18.307 20.088 38.322 1.00 32.79 O ATOM 1136 H GLY A 157 -19.900 24.016 39.101 1.00 0.00 H ATOM 1137 N LEU A 158 -20.016 20.849 39.579 1.00 28.26 N ATOM 1138 CA LEU A 158 -20.416 19.524 40.042 1.00 24.70 C ATOM 1139 C LEU A 158 -21.916 19.291 39.885 1.00 23.60 C ATOM 1140 O LEU A 158 -22.472 18.413 40.553 1.00 22.86 O ATOM 1141 CB LEU A 158 -20.010 19.322 41.505 1.00 21.76 C ATOM 1142 CG LEU A 158 -18.508 19.253 41.798 1.00 20.24 C ATOM 1143 CD1 LEU A 158 -18.236 19.510 43.272 1.00 23.40 C ATOM 1144 CD2 LEU A 158 -17.941 17.906 41.378 1.00 24.86 C ATOM 1145 H LEU A 158 -20.559 21.678 39.895 1.00 0.00 H ATOM 1146 N SER A 159 -22.582 20.043 39.007 1.00 28.79 N ATOM 1147 CA SER A 159 -24.036 19.987 38.921 1.00 29.31 C ATOM 1148 C SER A 159 -24.549 18.810 38.100 1.00 27.33 C ATOM 1149 O SER A 159 -25.719 18.438 38.248 1.00 30.04 O ATOM 1150 CB SER A 159 -24.577 21.286 38.319 1.00 34.36 C ATOM 1151 OG SER A 159 -24.029 21.516 37.033 1.00 45.48 O ATOM 1152 HG SER A 159 -24.268 20.764 36.435 1.00 0.00 H ATOM 1153 H SER A 159 -22.056 20.679 38.374 1.00 0.00 H ATOM 1154 N SER A 160 -23.716 18.219 37.247 1.00 27.06 N ATOM 1155 CA SER A 160 -24.145 17.172 36.330 1.00 25.38 C ATOM 1156 C SER A 160 -23.430 15.869 36.653 1.00 23.87 C ATOM 1157 O SER A 160 -22.233 15.863 36.957 1.00 27.98 O ATOM 1158 CB SER A 160 -23.871 17.572 34.875 1.00 29.71 C ATOM 1159 OG SER A 160 -24.513 18.794 34.558 1.00 42.30 O ATOM 1160 HG SER A 160 -24.322 19.031 33.616 1.00 0.00 H ATOM 1161 H SER A 160 -22.720 18.516 37.235 1.00 0.00 H ATOM 1162 N SER A 161 -24.172 14.764 36.580 1.00 28.84 N ATOM 1163 CA SER A 161 -23.606 13.455 36.875 1.00 29.66 C ATOM 1164 C SER A 161 -22.361 13.210 36.034 1.00 26.30 C ATOM 1165 O SER A 161 -22.336 13.493 34.834 1.00 27.19 O ATOM 1166 CB SER A 161 -24.644 12.362 36.612 1.00 32.27 C ATOM 1167 OG SER A 161 -25.787 12.546 37.428 1.00 43.07 O ATOM 1168 HG SER A 161 -26.194 13.427 37.231 1.00 0.00 H ATOM 1169 H SER A 161 -25.173 14.838 36.308 1.00 0.00 H ATOM 1170 N GLY A 162 -21.321 12.683 36.676 1.00 26.27 N ATOM 1171 CA GLY A 162 -20.044 12.478 36.031 1.00 29.26 C ATOM 1172 C GLY A 162 -19.090 13.646 36.138 1.00 30.52 C ATOM 1173 O GLY A 162 -17.933 13.522 35.715 1.00 25.87 O ATOM 1174 H GLY A 162 -21.431 12.410 37.674 1.00 0.00 H ATOM 1175 N ASP A 163 -19.535 14.774 36.686 1.00 30.51 N ATOM 1176 CA ASP A 163 -18.665 15.930 36.850 1.00 34.25 C ATOM 1177 C ASP A 163 -17.609 15.668 37.916 1.00 25.46 C ATOM 1178 O ASP A 163 -17.895 15.099 38.973 1.00 24.67 O ATOM 1179 CB ASP A 163 -19.485 17.163 37.231 1.00 34.20 C ATOM 1180 CG ASP A 163 -20.188 17.790 36.042 1.00 33.74 C ATOM 1181 OD1 ASP A 163 -19.819 17.471 34.892 1.00 32.07 O ATOM 1182 OD2 ASP A 163 -21.104 18.612 36.259 1.00 31.62 O ATOM 1183 H ASP A 163 -20.524 14.831 37.003 1.00 0.00 H ATOM 1184 N ALA A 164 -16.380 16.094 37.631 1.00 24.69 N ATOM 1185 CA ALA A 164 -15.286 16.036 38.588 1.00 28.09 C ATOM 1186 C ALA A 164 -14.523 17.353 38.565 1.00 31.19 C ATOM 1187 O ALA A 164 -14.379 17.978 37.511 1.00 31.10 O ATOM 1188 CB ALA A 164 -14.334 14.874 38.281 1.00 35.06 C ATOM 1189 H ALA A 164 -16.195 16.484 36.685 1.00 0.00 H ATOM 1190 N VAL A 165 -14.045 17.777 39.736 1.00 28.08 N ATOM 1191 CA VAL A 165 -13.199 18.958 39.856 1.00 31.01 C ATOM 1192 C VAL A 165 -12.079 18.636 40.835 1.00 30.99 C ATOM 1193 O VAL A 165 -12.255 17.841 41.764 1.00 30.69 O ATOM 1194 CB VAL A 165 -13.991 20.204 40.327 1.00 34.91 C ATOM 1195 CG1 VAL A 165 -15.238 20.419 39.473 1.00 49.04 C ATOM 1196 CG2 VAL A 165 -14.369 20.080 41.794 1.00 32.08 C ATOM 1197 H VAL A 165 -14.285 17.244 40.596 1.00 0.00 H ATOM 1198 N ARG A 166 -10.918 19.257 40.631 1.00 30.44 N ATOM 1199 CA ARG A 166 -9.840 19.138 41.604 1.00 26.00 C ATOM 1200 C ARG A 166 -10.057 20.126 42.740 1.00 24.27 C ATOM 1201 O ARG A 166 -10.420 21.284 42.516 1.00 27.39 O ATOM 1202 CB ARG A 166 -8.465 19.391 40.979 1.00 33.76 C ATOM 1203 CG ARG A 166 -7.353 19.437 42.050 1.00 42.83 C ATOM 1204 CD ARG A 166 -5.944 19.737 41.536 1.00 43.62 C ATOM 1205 NE ARG A 166 -5.671 21.145 41.238 1.00 68.18 N ATOM 1206 CZ ARG A 166 -4.442 21.634 41.078 1.00 60.25 C ATOM 1207 NH1 ARG A 166 -3.395 20.828 41.192 1.00 56.45 N ATOM 1208 NH2 ARG A 166 -4.246 22.920 40.796 1.00 67.55 N ATOM 1209 HE ARG A 166 -6.477 21.796 41.147 1.00 0.00 H ATOM 1210 HH12 ARG A 166 -2.433 21.204 41.068 1.00 0.00 H ATOM 1211 HH11 ARG A 166 -3.536 19.820 41.405 1.00 0.00 H ATOM 1212 HH22 ARG A 166 -3.279 23.284 40.674 1.00 0.00 H ATOM 1213 HH21 ARG A 166 -5.059 23.561 40.697 1.00 0.00 H ATOM 1214 H ARG A 166 -10.781 19.829 39.773 1.00 0.00 H ATOM 1215 N PHE A 167 -9.810 19.664 43.966 1.00 27.64 N ATOM 1216 CA PHE A 167 -9.842 20.526 45.150 1.00 21.75 C ATOM 1217 C PHE A 167 -8.625 20.168 46.003 1.00 23.56 C ATOM 1218 O PHE A 167 -8.676 19.246 46.821 1.00 23.08 O ATOM 1219 CB PHE A 167 -11.142 20.365 45.923 1.00 21.80 C ATOM 1220 CG PHE A 167 -11.428 21.502 46.857 1.00 25.40 C ATOM 1221 CD1 PHE A 167 -11.959 22.687 46.376 1.00 25.34 C ATOM 1222 CD2 PHE A 167 -11.161 21.392 48.211 1.00 23.60 C ATOM 1223 CE1 PHE A 167 -12.222 23.741 47.227 1.00 23.28 C ATOM 1224 CE2 PHE A 167 -11.423 22.445 49.068 1.00 16.97 C ATOM 1225 CZ PHE A 167 -11.953 23.620 48.574 1.00 22.65 C ATOM 1226 H PHE A 167 -9.587 18.655 44.086 1.00 0.00 H ATOM 1227 N GLY A 168 -7.534 20.903 45.806 1.00 27.15 N ATOM 1228 CA GLY A 168 -6.313 20.645 46.527 1.00 23.32 C ATOM 1229 C GLY A 168 -5.815 19.232 46.288 1.00 30.50 C ATOM 1230 O GLY A 168 -5.614 18.813 45.143 1.00 28.40 O ATOM 1231 H GLY A 168 -7.563 21.681 45.116 1.00 0.00 H ATOM 1232 N PRO A 169 -5.625 18.457 47.359 1.00 24.96 N ATOM 1233 CA PRO A 169 -5.043 17.119 47.212 1.00 23.99 C ATOM 1234 C PRO A 169 -6.039 16.030 46.850 1.00 24.69 C ATOM 1235 O PRO A 169 -5.645 14.860 46.793 1.00 25.53 O ATOM 1236 CB PRO A 169 -4.447 16.867 48.601 1.00 27.74 C ATOM 1237 CG PRO A 169 -5.413 17.536 49.516 1.00 26.59 C ATOM 1238 CD PRO A 169 -5.922 18.757 48.774 1.00 30.33 C ATOM 1239 N VAL A 170 -7.309 16.359 46.614 1.00 19.27 N ATOM 1240 CA VAL A 170 -8.316 15.362 46.283 1.00 26.53 C ATOM 1241 C VAL A 170 -9.009 15.760 44.987 1.00 19.78 C ATOM 1242 O VAL A 170 -8.887 16.886 44.504 1.00 21.65 O ATOM 1243 CB VAL A 170 -9.360 15.183 47.405 1.00 23.72 C ATOM 1244 CG1 VAL A 170 -8.676 14.940 48.745 1.00 19.62 C ATOM 1245 CG2 VAL A 170 -10.283 16.390 47.475 1.00 24.14 C ATOM 1246 H VAL A 170 -7.589 17.359 46.668 1.00 0.00 H ATOM 1247 N GLU A 171 -9.752 14.807 44.434 1.00 22.36 N ATOM 1248 CA GLU A 171 -10.708 15.068 43.369 1.00 18.61 C ATOM 1249 C GLU A 171 -12.111 14.921 43.938 1.00 18.67 C ATOM 1250 O GLU A 171 -12.387 13.974 44.683 1.00 21.41 O ATOM 1251 CB GLU A 171 -10.513 14.112 42.190 1.00 21.88 C ATOM 1252 CG GLU A 171 -11.419 14.414 41.006 1.00 26.19 C ATOM 1253 CD GLU A 171 -11.085 13.581 39.786 1.00 35.97 C ATOM 1254 OE1 GLU A 171 -11.173 12.339 39.871 1.00 28.58 O ATOM 1255 OE2 GLU A 171 -10.724 14.168 38.744 1.00 31.98 O ATOM 1256 H GLU A 171 -9.645 13.831 44.778 1.00 0.00 H ATOM 1257 N LEU A 172 -12.982 15.867 43.606 1.00 21.03 N ATOM 1258 CA LEU A 172 -14.386 15.808 43.980 1.00 19.41 C ATOM 1259 C LEU A 172 -15.183 15.324 42.778 1.00 18.40 C ATOM 1260 O LEU A 172 -14.959 15.786 41.655 1.00 23.15 O ATOM 1261 CB LEU A 172 -14.889 17.175 44.446 1.00 17.56 C ATOM 1262 CG LEU A 172 -14.119 17.816 45.603 1.00 22.21 C ATOM 1263 CD1 LEU A 172 -14.662 19.209 45.889 1.00 21.96 C ATOM 1264 CD2 LEU A 172 -14.178 16.949 46.851 1.00 18.98 C ATOM 1265 H LEU A 172 -12.646 16.683 43.056 1.00 0.00 H ATOM 1266 N PHE A 173 -16.102 14.393 43.014 1.00 15.61 N ATOM 1267 CA PHE A 173 -16.828 13.734 41.937 1.00 18.01 C ATOM 1268 C PHE A 173 -18.299 13.668 42.306 1.00 22.34 C ATOM 1269 O PHE A 173 -18.642 13.266 43.421 1.00 17.40 O ATOM 1270 CB PHE A 173 -16.260 12.329 41.692 1.00 20.60 C ATOM 1271 CG PHE A 173 -16.918 11.573 40.564 1.00 20.18 C ATOM 1272 CD1 PHE A 173 -16.774 11.989 39.251 1.00 24.00 C ATOM 1273 CD2 PHE A 173 -17.645 10.420 40.818 1.00 19.81 C ATOM 1274 CE1 PHE A 173 -17.365 11.286 38.214 1.00 33.07 C ATOM 1275 CE2 PHE A 173 -18.238 9.712 39.785 1.00 19.74 C ATOM 1276 CZ PHE A 173 -18.096 10.145 38.483 1.00 21.91 C ATOM 1277 H PHE A 173 -16.309 14.127 43.998 1.00 0.00 H ATOM 1278 N TYR A 174 -19.164 14.083 41.378 1.00 20.81 N ATOM 1279 CA TYR A 174 -20.598 13.936 41.572 1.00 18.62 C ATOM 1280 C TYR A 174 -21.080 12.763 40.727 1.00 21.13 C ATOM 1281 O TYR A 174 -21.188 12.894 39.499 1.00 22.03 O ATOM 1282 CB TYR A 174 -21.341 15.219 41.191 1.00 21.92 C ATOM 1283 CG TYR A 174 -22.843 15.069 41.247 1.00 21.32 C ATOM 1284 CD1 TYR A 174 -23.471 14.607 42.397 1.00 15.34 C ATOM 1285 CD2 TYR A 174 -23.634 15.388 40.153 1.00 19.52 C ATOM 1286 CE1 TYR A 174 -24.844 14.467 42.453 1.00 17.56 C ATOM 1287 CE2 TYR A 174 -25.007 15.251 40.200 1.00 23.75 C ATOM 1288 CZ TYR A 174 -25.607 14.789 41.351 1.00 22.22 C ATOM 1289 OH TYR A 174 -26.975 14.653 41.395 1.00 19.50 O ATOM 1290 HH TYR A 174 -27.243 14.313 42.285 1.00 0.00 H ATOM 1291 H TYR A 174 -18.807 14.518 40.503 1.00 0.00 H ATOM 1292 N PRO A 175 -21.369 11.599 41.322 1.00 18.36 N ATOM 1293 CA PRO A 175 -21.759 10.433 40.515 1.00 23.70 C ATOM 1294 C PRO A 175 -23.201 10.450 40.049 1.00 20.73 C ATOM 1295 O PRO A 175 -23.589 9.571 39.268 1.00 18.65 O ATOM 1296 CB PRO A 175 -21.523 9.264 41.477 1.00 15.74 C ATOM 1297 CG PRO A 175 -21.815 9.849 42.820 1.00 17.08 C ATOM 1298 CD PRO A 175 -21.322 11.276 42.760 1.00 17.67 C ATOM 1299 N GLY A 176 -23.998 11.408 40.495 1.00 25.99 N ATOM 1300 CA GLY A 176 -25.433 11.382 40.313 1.00 24.86 C ATOM 1301 C GLY A 176 -26.151 11.076 41.618 1.00 21.84 C ATOM 1302 O GLY A 176 -25.551 10.719 42.632 1.00 17.61 O ATOM 1303 H GLY A 176 -23.575 12.214 40.998 1.00 0.00 H ATOM 1304 N ALA A 177 -27.471 11.226 41.572 1.00 17.92 N ATOM 1305 CA ALA A 177 -28.275 11.035 42.771 1.00 18.66 C ATOM 1306 C ALA A 177 -28.162 9.599 43.267 1.00 18.86 C ATOM 1307 O ALA A 177 -28.098 8.651 42.478 1.00 18.92 O ATOM 1308 CB ALA A 177 -29.737 11.384 42.492 1.00 25.71 C ATOM 1309 H ALA A 177 -27.932 11.481 40.675 1.00 0.00 H ATOM 1310 N ALA A 178 -28.133 9.442 44.589 1.00 18.05 N ATOM 1311 CA ALA A 178 -28.003 8.124 45.195 1.00 16.22 C ATOM 1312 C ALA A 178 -28.591 8.136 46.602 1.00 13.41 C ATOM 1313 O ALA A 178 -29.815 8.165 46.762 1.00 14.56 O ATOM 1314 CB ALA A 178 -26.533 7.695 45.204 1.00 18.66 C ATOM 1315 H ALA A 178 -28.205 10.279 45.202 1.00 0.00 H ATOM 1316 N HIS A 179 -27.732 8.108 47.628 1.00 13.49 N ATOM 1317 CA HIS A 179 -28.200 8.285 49.000 1.00 13.27 C ATOM 1318 C HIS A 179 -28.945 9.605 49.148 1.00 14.41 C ATOM 1319 O HIS A 179 -29.933 9.694 49.887 1.00 16.02 O ATOM 1320 CB HIS A 179 -27.004 8.218 49.956 1.00 12.09 C ATOM 1321 CG HIS A 179 -27.295 8.686 51.351 1.00 12.79 C ATOM 1322 ND1 HIS A 179 -27.930 7.897 52.289 1.00 15.85 N ATOM 1323 CD2 HIS A 179 -27.007 9.852 51.976 1.00 17.65 C ATOM 1324 CE1 HIS A 179 -28.032 8.563 53.425 1.00 21.12 C ATOM 1325 NE2 HIS A 179 -27.478 9.751 53.263 1.00 13.77 N ATOM 1326 H HIS A 179 -26.719 7.958 47.446 1.00 0.00 H ATOM 1327 N SER A 180 -28.478 10.639 48.454 1.00 16.56 N ATOM 1328 CA SER A 180 -29.172 11.911 48.332 1.00 19.12 C ATOM 1329 C SER A 180 -28.917 12.445 46.929 1.00 16.40 C ATOM 1330 O SER A 180 -28.038 11.960 46.212 1.00 17.98 O ATOM 1331 CB SER A 180 -28.712 12.910 49.405 1.00 14.31 C ATOM 1332 OG SER A 180 -27.314 13.126 49.344 1.00 19.24 O ATOM 1333 HG SER A 180 -27.076 13.488 48.454 1.00 0.00 H ATOM 1334 H SER A 180 -27.563 10.532 47.971 1.00 0.00 H ATOM 1335 N THR A 181 -29.703 13.444 46.522 1.00 16.67 N ATOM 1336 CA THR A 181 -29.542 13.976 45.174 1.00 16.98 C ATOM 1337 C THR A 181 -28.231 14.727 45.007 1.00 17.71 C ATOM 1338 O THR A 181 -27.786 14.929 43.872 1.00 21.97 O ATOM 1339 CB THR A 181 -30.709 14.899 44.817 1.00 31.77 C ATOM 1340 OG1 THR A 181 -30.716 16.033 45.691 1.00 33.35 O ATOM 1341 CG2 THR A 181 -32.023 14.156 44.942 1.00 20.40 C ATOM 1342 HG1 THR A 181 -30.815 15.726 46.627 1.00 0.00 H ATOM 1343 H THR A 181 -30.423 13.839 47.160 1.00 0.00 H ATOM 1344 N ASP A 182 -27.597 15.120 46.109 1.00 15.53 N ATOM 1345 CA ASP A 182 -26.418 15.971 46.084 1.00 22.31 C ATOM 1346 C ASP A 182 -25.130 15.252 46.463 1.00 21.34 C ATOM 1347 O ASP A 182 -24.082 15.902 46.519 1.00 18.42 O ATOM 1348 CB ASP A 182 -26.617 17.160 47.035 1.00 17.00 C ATOM 1349 CG ASP A 182 -26.797 16.725 48.483 1.00 19.11 C ATOM 1350 OD1 ASP A 182 -27.471 15.701 48.718 1.00 19.81 O ATOM 1351 OD2 ASP A 182 -26.264 17.403 49.387 1.00 17.08 O ATOM 1352 H ASP A 182 -27.961 14.804 47.030 1.00 0.00 H ATOM 1353 N ASN A 183 -25.159 13.944 46.725 1.00 15.54 N ATOM 1354 CA ASN A 183 -24.003 13.327 47.365 1.00 12.17 C ATOM 1355 C ASN A 183 -22.779 13.373 46.456 1.00 15.23 C ATOM 1356 O ASN A 183 -22.857 13.106 45.253 1.00 16.46 O ATOM 1357 CB ASN A 183 -24.285 11.882 47.813 1.00 15.66 C ATOM 1358 CG ASN A 183 -25.025 11.037 46.779 1.00 14.04 C ATOM 1359 OD1 ASN A 183 -25.826 10.180 47.150 1.00 16.64 O ATOM 1360 ND2 ASN A 183 -24.743 11.241 45.502 1.00 17.91 N ATOM 1361 HD22 ASN A 183 -24.059 11.976 45.232 1.00 0.00 H ATOM 1362 HD21 ASN A 183 -25.205 10.666 44.769 1.00 0.00 H ATOM 1363 H ASN A 183 -25.993 13.374 46.477 1.00 0.00 H ATOM 1364 N LEU A 184 -21.646 13.741 47.049 1.00 17.30 N ATOM 1365 CA LEU A 184 -20.354 13.757 46.383 1.00 21.23 C ATOM 1366 C LEU A 184 -19.492 12.622 46.918 1.00 15.69 C ATOM 1367 O LEU A 184 -19.658 12.181 48.058 1.00 16.66 O ATOM 1368 CB LEU A 184 -19.622 15.083 46.613 1.00 18.15 C ATOM 1369 CG LEU A 184 -20.300 16.381 46.184 1.00 14.81 C ATOM 1370 CD1 LEU A 184 -19.446 17.563 46.633 1.00 17.69 C ATOM 1371 CD2 LEU A 184 -20.518 16.408 44.680 1.00 15.24 C ATOM 1372 H LEU A 184 -21.687 14.034 48.046 1.00 0.00 H ATOM 1373 N VAL A 185 -18.560 12.159 46.088 1.00 17.35 N ATOM 1374 CA VAL A 185 -17.516 11.250 46.537 1.00 15.98 C ATOM 1375 C VAL A 185 -16.176 11.957 46.369 1.00 18.61 C ATOM 1376 O VAL A 185 -16.039 12.907 45.594 1.00 17.67 O ATOM 1377 CB VAL A 185 -17.538 9.903 45.781 1.00 24.75 C ATOM 1378 CG1 VAL A 185 -18.880 9.210 45.972 1.00 17.66 C ATOM 1379 CG2 VAL A 185 -17.252 10.100 44.310 1.00 32.27 C ATOM 1380 H VAL A 185 -18.578 12.455 45.091 1.00 0.00 H ATOM 1381 N VAL A 186 -15.182 11.489 47.122 1.00 17.50 N ATOM 1382 CA VAL A 186 -13.868 12.121 47.169 1.00 18.26 C ATOM 1383 C VAL A 186 -12.807 11.057 46.931 1.00 18.02 C ATOM 1384 O VAL A 186 -12.856 9.980 47.535 1.00 18.20 O ATOM 1385 CB VAL A 186 -13.625 12.833 48.516 1.00 21.11 C ATOM 1386 CG1 VAL A 186 -12.281 13.544 48.516 1.00 20.59 C ATOM 1387 CG2 VAL A 186 -14.744 13.818 48.808 1.00 17.17 C ATOM 1388 H VAL A 186 -15.349 10.640 47.699 1.00 0.00 H ATOM 1389 N TYR A 187 -11.849 11.361 46.057 1.00 18.98 N ATOM 1390 CA TYR A 187 -10.755 10.452 45.741 1.00 20.14 C ATOM 1391 C TYR A 187 -9.427 11.126 46.052 1.00 23.61 C ATOM 1392 O TYR A 187 -9.216 12.290 45.695 1.00 22.43 O ATOM 1393 CB TYR A 187 -10.795 10.026 44.270 1.00 25.19 C ATOM 1394 CG TYR A 187 -9.815 8.925 43.936 1.00 21.38 C ATOM 1395 CD1 TYR A 187 -9.908 7.677 44.545 1.00 22.40 C ATOM 1396 CD2 TYR A 187 -8.800 9.127 43.010 1.00 21.48 C ATOM 1397 CE1 TYR A 187 -9.014 6.666 44.243 1.00 21.19 C ATOM 1398 CE2 TYR A 187 -7.904 8.120 42.700 1.00 28.08 C ATOM 1399 CZ TYR A 187 -8.015 6.894 43.320 1.00 27.20 C ATOM 1400 OH TYR A 187 -7.122 5.894 43.013 1.00 28.82 O ATOM 1401 HH TYR A 187 -6.204 6.195 43.230 1.00 0.00 H ATOM 1402 H TYR A 187 -11.883 12.285 45.581 1.00 0.00 H ATOM 1403 N VAL A 188 -8.542 10.393 46.722 1.00 22.10 N ATOM 1404 CA VAL A 188 -7.186 10.853 47.008 1.00 19.99 C ATOM 1405 C VAL A 188 -6.239 10.097 46.082 1.00 22.25 C ATOM 1406 O VAL A 188 -5.831 8.972 46.406 1.00 29.21 O ATOM 1407 CB VAL A 188 -6.814 10.636 48.484 1.00 19.94 C ATOM 1408 CG1 VAL A 188 -5.504 11.350 48.821 1.00 22.26 C ATOM 1409 CG2 VAL A 188 -7.943 11.100 49.399 1.00 21.40 C ATOM 1410 H VAL A 188 -8.828 9.451 47.057 1.00 0.00 H ATOM 1411 N PRO A 189 -5.874 10.655 44.924 1.00 37.89 N ATOM 1412 CA PRO A 189 -5.052 9.882 43.976 1.00 28.32 C ATOM 1413 C PRO A 189 -3.697 9.467 44.524 1.00 26.25 C ATOM 1414 O PRO A 189 -3.201 8.392 44.161 1.00 29.37 O ATOM 1415 CB PRO A 189 -4.911 10.828 42.773 1.00 28.15 C ATOM 1416 CG PRO A 189 -5.399 12.166 43.231 1.00 35.72 C ATOM 1417 CD PRO A 189 -6.354 11.920 44.344 1.00 27.90 C ATOM 1418 N SER A 190 -3.078 10.277 45.386 1.00 26.14 N ATOM 1419 CA SER A 190 -1.761 9.929 45.911 1.00 31.76 C ATOM 1420 C SER A 190 -1.796 8.642 46.724 1.00 27.69 C ATOM 1421 O SER A 190 -0.787 7.932 46.803 1.00 33.12 O ATOM 1422 CB SER A 190 -1.219 11.076 46.764 1.00 42.99 C ATOM 1423 OG SER A 190 -2.111 11.391 47.821 1.00 43.65 O ATOM 1424 HG SER A 190 -2.985 11.662 47.444 1.00 0.00 H ATOM 1425 H SER A 190 -3.537 11.161 45.685 1.00 0.00 H ATOM 1426 N ALA A 191 -2.939 8.322 47.333 1.00 25.72 N ATOM 1427 CA ALA A 191 -3.065 7.153 48.192 1.00 31.17 C ATOM 1428 C ALA A 191 -4.048 6.116 47.668 1.00 27.27 C ATOM 1429 O ALA A 191 -4.221 5.073 48.311 1.00 30.07 O ATOM 1430 CB ALA A 191 -3.495 7.579 49.603 1.00 37.38 C ATOM 1431 H ALA A 191 -3.771 8.930 47.189 1.00 0.00 H ATOM 1432 N SER A 192 -4.698 6.368 46.531 1.00 30.30 N ATOM 1433 CA SER A 192 -5.693 5.451 45.972 1.00 24.42 C ATOM 1434 C SER A 192 -6.812 5.180 46.974 1.00 32.85 C ATOM 1435 O SER A 192 -7.292 4.053 47.110 1.00 23.74 O ATOM 1436 CB SER A 192 -5.047 4.141 45.515 1.00 26.80 C ATOM 1437 OG SER A 192 -3.970 4.390 44.629 1.00 30.88 O ATOM 1438 HG SER A 192 -3.286 4.939 45.089 1.00 0.00 H ATOM 1439 H SER A 192 -4.490 7.250 46.022 1.00 0.00 H ATOM 1440 N VAL A 193 -7.230 6.227 47.678 1.00 24.99 N ATOM 1441 CA VAL A 193 -8.289 6.142 48.677 1.00 20.73 C ATOM 1442 C VAL A 193 -9.554 6.741 48.082 1.00 19.01 C ATOM 1443 O VAL A 193 -9.570 7.912 47.681 1.00 19.74 O ATOM 1444 CB VAL A 193 -7.895 6.864 49.975 1.00 18.88 C ATOM 1445 CG1 VAL A 193 -9.094 6.963 50.920 1.00 21.50 C ATOM 1446 CG2 VAL A 193 -6.736 6.143 50.651 1.00 23.33 C ATOM 1447 H VAL A 193 -6.781 7.150 47.509 1.00 0.00 H ATOM 1448 N LEU A 194 -10.616 5.944 48.035 1.00 21.26 N ATOM 1449 CA LEU A 194 -11.916 6.385 47.549 1.00 20.49 C ATOM 1450 C LEU A 194 -12.850 6.564 48.739 1.00 18.20 C ATOM 1451 O LEU A 194 -13.160 5.596 49.441 1.00 19.96 O ATOM 1452 CB LEU A 194 -12.499 5.381 46.554 1.00 27.65 C ATOM 1453 CG LEU A 194 -13.910 5.707 46.058 1.00 21.18 C ATOM 1454 CD1 LEU A 194 -13.956 7.072 45.380 1.00 22.59 C ATOM 1455 CD2 LEU A 194 -14.403 4.619 45.119 1.00 23.35 C ATOM 1456 H LEU A 194 -10.514 4.961 48.360 1.00 0.00 H ATOM 1457 N TYR A 195 -13.290 7.799 48.959 1.00 15.14 N ATOM 1458 CA TYR A 195 -14.223 8.118 50.036 1.00 17.75 C ATOM 1459 C TYR A 195 -15.614 8.243 49.430 1.00 15.05 C ATOM 1460 O TYR A 195 -15.931 9.229 48.760 1.00 16.07 O ATOM 1461 CB TYR A 195 -13.834 9.397 50.772 1.00 17.45 C ATOM 1462 CG TYR A 195 -14.872 9.801 51.798 1.00 14.13 C ATOM 1463 CD1 TYR A 195 -14.887 9.227 53.063 1.00 23.34 C ATOM 1464 CD2 TYR A 195 -15.850 10.737 51.492 1.00 14.71 C ATOM 1465 CE1 TYR A 195 -15.843 9.586 53.999 1.00 14.85 C ATOM 1466 CE2 TYR A 195 -16.807 11.100 52.418 1.00 10.17 C ATOM 1467 CZ TYR A 195 -16.800 10.523 53.669 1.00 15.64 C ATOM 1468 OH TYR A 195 -17.755 10.890 54.589 1.00 29.76 O ATOM 1469 HH TYR A 195 -17.684 11.861 54.767 1.00 0.00 H ATOM 1470 H TYR A 195 -12.957 8.567 48.341 1.00 0.00 H ATOM 1471 N GLY A 196 -16.445 7.228 49.665 1.00 14.56 N ATOM 1472 CA GLY A 196 -17.764 7.178 49.066 1.00 16.30 C ATOM 1473 C GLY A 196 -18.856 7.909 49.805 1.00 13.91 C ATOM 1474 O GLY A 196 -19.930 8.133 49.237 1.00 17.20 O ATOM 1475 H GLY A 196 -16.141 6.456 50.291 1.00 0.00 H ATOM 1476 N GLY A 197 -18.620 8.294 51.053 1.00 15.61 N ATOM 1477 CA GLY A 197 -19.688 8.918 51.787 1.00 16.87 C ATOM 1478 C GLY A 197 -20.841 7.943 51.959 1.00 12.74 C ATOM 1479 O GLY A 197 -20.700 6.724 51.829 1.00 14.42 O ATOM 1480 H GLY A 197 -17.687 8.148 51.489 1.00 0.00 H ATOM 1481 N CYS A 198 -22.011 8.506 52.241 1.00 12.42 N ATOM 1482 CA CYS A 198 -23.163 7.687 52.586 1.00 12.12 C ATOM 1483 C CYS A 198 -23.856 7.092 51.365 1.00 19.11 C ATOM 1484 O CYS A 198 -24.835 6.355 51.524 1.00 17.59 O ATOM 1485 CB CYS A 198 -24.127 8.521 53.427 1.00 14.67 C ATOM 1486 SG CYS A 198 -23.287 9.186 54.887 1.00 13.26 S ATOM 1487 H CYS A 198 -22.104 9.541 52.215 1.00 0.00 H ATOM 1488 N ALA A 199 -23.360 7.376 50.159 1.00 15.36 N ATOM 1489 CA ALA A 199 -23.778 6.647 48.971 1.00 13.24 C ATOM 1490 C ALA A 199 -23.223 5.230 48.934 1.00 12.38 C ATOM 1491 O ALA A 199 -23.681 4.425 48.116 1.00 16.52 O ATOM 1492 CB ALA A 199 -23.335 7.397 47.715 1.00 18.77 C ATOM 1493 H ALA A 199 -22.657 8.137 50.066 1.00 0.00 H ATOM 1494 N ILE A 200 -22.255 4.911 49.791 1.00 14.45 N ATOM 1495 CA ILE A 200 -21.623 3.599 49.832 1.00 14.42 C ATOM 1496 C ILE A 200 -21.835 3.002 51.218 1.00 17.23 C ATOM 1497 O ILE A 200 -21.529 3.644 52.230 1.00 16.23 O ATOM 1498 CB ILE A 200 -20.122 3.688 49.494 1.00 19.42 C ATOM 1499 CG1 ILE A 200 -19.925 4.299 48.101 1.00 18.06 C ATOM 1500 CG2 ILE A 200 -19.467 2.317 49.576 1.00 17.16 C ATOM 1501 CD1 ILE A 200 -20.481 3.462 46.961 1.00 27.07 C ATOM 1502 H ILE A 200 -21.934 5.635 50.465 1.00 0.00 H ATOM 1503 N TYR A 201 -22.359 1.781 51.257 1.00 15.73 N ATOM 1504 CA TYR A 201 -22.602 1.057 52.498 1.00 15.97 C ATOM 1505 C TYR A 201 -21.427 0.150 52.842 1.00 16.86 C ATOM 1506 O TYR A 201 -20.723 -0.350 51.960 1.00 17.85 O ATOM 1507 CB TYR A 201 -23.858 0.192 52.390 1.00 19.34 C ATOM 1508 CG TYR A 201 -25.176 0.922 52.480 1.00 18.18 C ATOM 1509 CD1 TYR A 201 -25.257 2.302 52.347 1.00 33.51 C ATOM 1510 CD2 TYR A 201 -26.349 0.217 52.703 1.00 33.45 C ATOM 1511 CE1 TYR A 201 -26.477 2.954 52.432 1.00 34.86 C ATOM 1512 CE2 TYR A 201 -27.562 0.855 52.789 1.00 36.83 C ATOM 1513 CZ TYR A 201 -27.626 2.221 52.655 1.00 20.64 C ATOM 1514 OH TYR A 201 -28.847 2.846 52.746 1.00 22.13 O ATOM 1515 HH TYR A 201 -28.727 3.822 52.629 1.00 0.00 H ATOM 1516 H TYR A 201 -22.608 1.320 50.358 1.00 0.00 H ATOM 1517 N GLU A 202 -21.244 -0.089 54.139 1.00 17.28 N ATOM 1518 CA GLU A 202 -20.287 -1.085 54.594 1.00 18.54 C ATOM 1519 C GLU A 202 -20.846 -2.489 54.367 1.00 19.54 C ATOM 1520 O GLU A 202 -22.057 -2.693 54.255 1.00 15.46 O ATOM 1521 CB GLU A 202 -19.951 -0.882 56.075 1.00 16.65 C ATOM 1522 CG GLU A 202 -21.047 -1.325 57.046 1.00 17.61 C ATOM 1523 CD GLU A 202 -20.602 -1.285 58.496 1.00 19.96 C ATOM 1524 OE1 GLU A 202 -19.478 -1.743 58.794 1.00 18.95 O ATOM 1525 OE2 GLU A 202 -21.374 -0.786 59.341 1.00 20.96 O ATOM 1526 H GLU A 202 -21.796 0.446 54.840 1.00 0.00 H ATOM 1527 N LEU A 203 -19.940 -3.470 54.317 1.00 19.16 N ATOM 1528 CA LEU A 203 -20.343 -4.838 53.996 1.00 19.31 C ATOM 1529 C LEU A 203 -21.333 -5.389 55.014 1.00 20.04 C ATOM 1530 O LEU A 203 -22.239 -6.152 54.657 1.00 20.25 O ATOM 1531 CB LEU A 203 -19.112 -5.742 53.911 1.00 19.50 C ATOM 1532 CG LEU A 203 -18.138 -5.437 52.771 1.00 18.64 C ATOM 1533 CD1 LEU A 203 -16.940 -6.371 52.829 1.00 19.95 C ATOM 1534 CD2 LEU A 203 -18.836 -5.536 51.416 1.00 23.29 C ATOM 1535 H LEU A 203 -18.940 -3.258 54.508 1.00 0.00 H ATOM 1536 N SER A 204 -21.179 -5.021 56.286 1.00 18.10 N ATOM 1537 CA SER A 204 -22.016 -5.597 57.330 1.00 21.07 C ATOM 1538 C SER A 204 -23.461 -5.123 57.251 1.00 27.19 C ATOM 1539 O SER A 204 -24.344 -5.776 57.819 1.00 24.05 O ATOM 1540 CB SER A 204 -21.434 -5.266 58.702 1.00 30.30 C ATOM 1541 OG SER A 204 -20.188 -5.914 58.883 1.00 33.35 O ATOM 1542 HG SER A 204 -19.556 -5.612 58.184 1.00 0.00 H ATOM 1543 H SER A 204 -20.455 -4.317 56.535 1.00 0.00 H ATOM 1544 N ARG A 205 -23.725 -4.016 56.564 1.00 17.66 N ATOM 1545 CA ARG A 205 -25.077 -3.488 56.439 1.00 18.32 C ATOM 1546 C ARG A 205 -25.773 -4.157 55.260 1.00 19.55 C ATOM 1547 O ARG A 205 -25.341 -4.012 54.112 1.00 20.58 O ATOM 1548 CB ARG A 205 -25.051 -1.972 56.260 1.00 22.68 C ATOM 1549 CG ARG A 205 -26.401 -1.383 55.896 1.00 32.13 C ATOM 1550 CD ARG A 205 -26.524 0.061 56.349 1.00 44.00 C ATOM 1551 NE ARG A 205 -26.747 0.154 57.789 1.00 51.43 N ATOM 1552 CZ ARG A 205 -27.929 -0.014 58.376 1.00 45.45 C ATOM 1553 NH1 ARG A 205 -28.038 0.090 59.694 1.00 46.54 N ATOM 1554 NH2 ARG A 205 -29.004 -0.288 57.648 1.00 34.85 N ATOM 1555 HE ARG A 205 -25.929 0.365 58.395 1.00 0.00 H ATOM 1556 HH12 ARG A 205 -28.963 -0.042 60.151 1.00 0.00 H ATOM 1557 HH11 ARG A 205 -27.199 0.303 60.270 1.00 0.00 H ATOM 1558 HH22 ARG A 205 -29.926 -0.419 58.111 1.00 0.00 H ATOM 1559 HH21 ARG A 205 -28.924 -0.372 56.614 1.00 0.00 H ATOM 1560 H ARG A 205 -22.942 -3.511 56.101 1.00 0.00 H ATOM 1561 N THR A 206 -26.850 -4.888 55.548 1.00 20.65 N ATOM 1562 CA THR A 206 -27.598 -5.596 54.521 1.00 26.98 C ATOM 1563 C THR A 206 -28.960 -4.985 54.237 1.00 30.87 C ATOM 1564 O THR A 206 -29.602 -5.375 53.256 1.00 36.47 O ATOM 1565 CB THR A 206 -27.778 -7.067 54.920 1.00 45.61 C ATOM 1566 OG1 THR A 206 -28.329 -7.150 56.240 1.00 47.65 O ATOM 1567 CG2 THR A 206 -26.445 -7.776 54.887 1.00 40.30 C ATOM 1568 HG1 THR A 206 -28.442 -8.101 56.490 1.00 0.00 H ATOM 1569 H THR A 206 -27.165 -4.954 56.537 1.00 0.00 H ATOM 1570 N SER A 207 -29.412 -4.040 55.056 1.00 26.38 N ATOM 1571 CA SER A 207 -30.686 -3.372 54.860 1.00 33.50 C ATOM 1572 C SER A 207 -30.443 -1.896 54.583 1.00 34.51 C ATOM 1573 O SER A 207 -29.498 -1.298 55.106 1.00 26.03 O ATOM 1574 CB SER A 207 -31.586 -3.524 56.089 1.00 36.58 C ATOM 1575 OG SER A 207 -31.095 -2.752 57.171 1.00 41.68 O ATOM 1576 HG SER A 207 -31.070 -1.798 56.909 1.00 0.00 H ATOM 1577 H SER A 207 -28.828 -3.768 55.872 1.00 0.00 H ATOM 1578 N ALA A 208 -31.300 -1.313 53.752 1.00 33.00 N ATOM 1579 CA ALA A 208 -31.209 0.115 53.492 1.00 26.83 C ATOM 1580 C ALA A 208 -31.422 0.889 54.787 1.00 38.90 C ATOM 1581 O ALA A 208 -32.308 0.569 55.583 1.00 37.65 O ATOM 1582 CB ALA A 208 -32.237 0.533 52.444 1.00 42.32 C ATOM 1583 H ALA A 208 -32.038 -1.879 53.286 1.00 0.00 H ATOM 1584 N GLY A 209 -30.593 1.904 55.003 1.00 33.92 N ATOM 1585 CA GLY A 209 -30.678 2.698 56.210 1.00 58.85 C ATOM 1586 C GLY A 209 -31.570 3.909 56.042 1.00 47.05 C ATOM 1587 O GLY A 209 -32.788 3.781 55.891 1.00 40.16 O ATOM 1588 H GLY A 209 -29.869 2.132 54.292 1.00 0.00 H ATOM 1589 N ASN A 210 -30.966 5.094 56.065 1.00 54.09 N ATOM 1590 CA ASN A 210 -31.694 6.350 55.903 1.00 57.97 C ATOM 1591 C ASN A 210 -31.814 6.639 54.412 1.00 36.75 C ATOM 1592 O ASN A 210 -30.899 7.199 53.803 1.00 48.73 O ATOM 1593 CB ASN A 210 -30.975 7.477 56.636 1.00 50.27 C ATOM 1594 CG ASN A 210 -31.650 8.820 56.447 1.00 58.58 C ATOM 1595 OD1 ASN A 210 -32.846 8.893 56.166 1.00 66.89 O ATOM 1596 ND2 ASN A 210 -30.882 9.893 56.598 1.00 55.43 N ATOM 1597 HD22 ASN A 210 -29.876 9.783 56.836 1.00 0.00 H ATOM 1598 HD21 ASN A 210 -31.287 10.843 56.478 1.00 0.00 H ATOM 1599 H ASN A 210 -29.936 5.127 56.204 1.00 0.00 H ATOM 1600 N VAL A 211 -32.942 6.258 53.816 1.00 35.53 N ATOM 1601 CA VAL A 211 -33.171 6.477 52.392 1.00 25.62 C ATOM 1602 C VAL A 211 -34.322 7.454 52.155 1.00 20.23 C ATOM 1603 O VAL A 211 -34.858 7.521 51.049 1.00 22.94 O ATOM 1604 CB VAL A 211 -33.410 5.152 51.649 1.00 20.35 C ATOM 1605 CG1 VAL A 211 -32.222 4.215 51.827 1.00 26.21 C ATOM 1606 CG2 VAL A 211 -34.704 4.497 52.112 1.00 34.98 C ATOM 1607 H VAL A 211 -33.680 5.792 54.381 1.00 0.00 H ATOM 1608 N ALA A 212 -34.711 8.220 53.177 1.00 26.77 N ATOM 1609 CA ALA A 212 -35.795 9.181 53.005 1.00 25.21 C ATOM 1610 C ALA A 212 -35.500 10.166 51.882 1.00 24.36 C ATOM 1611 O ALA A 212 -36.421 10.609 51.187 1.00 23.03 O ATOM 1612 CB ALA A 212 -36.046 9.929 54.315 1.00 33.73 C ATOM 1613 H ALA A 212 -34.239 8.131 54.100 1.00 0.00 H ATOM 1614 N ASP A 213 -34.229 10.511 51.678 1.00 23.27 N ATOM 1615 CA ASP A 213 -33.838 11.497 50.680 1.00 18.78 C ATOM 1616 C ASP A 213 -33.137 10.874 49.478 1.00 21.83 C ATOM 1617 O ASP A 213 -32.561 11.601 48.662 1.00 19.42 O ATOM 1618 CB ASP A 213 -32.940 12.551 51.328 1.00 22.20 C ATOM 1619 CG ASP A 213 -33.651 13.319 52.426 1.00 24.25 C ATOM 1620 OD1 ASP A 213 -34.825 13.688 52.222 1.00 25.97 O ATOM 1621 OD2 ASP A 213 -33.044 13.539 53.495 1.00 22.66 O ATOM 1622 H ASP A 213 -33.489 10.059 52.253 1.00 0.00 H ATOM 1623 N ALA A 214 -33.191 9.553 49.339 1.00 18.79 N ATOM 1624 CA ALA A 214 -32.440 8.859 48.307 1.00 15.94 C ATOM 1625 C ALA A 214 -33.187 8.863 46.978 1.00 17.22 C ATOM 1626 O ALA A 214 -34.400 9.083 46.909 1.00 20.79 O ATOM 1627 CB ALA A 214 -32.163 7.417 48.727 1.00 18.52 C ATOM 1628 H ALA A 214 -33.788 9.001 49.987 1.00 0.00 H ATOM 1629 N ASP A 215 -32.434 8.613 45.912 1.00 17.98 N ATOM 1630 CA ASP A 215 -32.977 8.345 44.584 1.00 17.51 C ATOM 1631 C ASP A 215 -32.679 6.874 44.309 1.00 18.46 C ATOM 1632 O ASP A 215 -31.658 6.534 43.709 1.00 18.08 O ATOM 1633 CB ASP A 215 -32.357 9.266 43.533 1.00 22.22 C ATOM 1634 CG ASP A 215 -33.057 9.180 42.186 1.00 24.68 C ATOM 1635 OD1 ASP A 215 -33.383 8.058 41.741 1.00 21.42 O ATOM 1636 OD2 ASP A 215 -33.280 10.245 41.574 1.00 22.21 O ATOM 1637 H ASP A 215 -31.401 8.608 46.031 1.00 0.00 H ATOM 1638 N LEU A 216 -33.569 5.997 44.780 1.00 22.30 N ATOM 1639 CA LEU A 216 -33.336 4.564 44.631 1.00 19.75 C ATOM 1640 C LEU A 216 -33.190 4.177 43.166 1.00 16.01 C ATOM 1641 O LEU A 216 -32.377 3.312 42.822 1.00 18.21 O ATOM 1642 CB LEU A 216 -34.475 3.775 45.278 1.00 20.37 C ATOM 1643 CG LEU A 216 -34.553 3.817 46.804 1.00 27.83 C ATOM 1644 CD1 LEU A 216 -35.835 3.159 47.274 1.00 26.73 C ATOM 1645 CD2 LEU A 216 -33.342 3.141 47.430 1.00 27.37 C ATOM 1646 H LEU A 216 -34.430 6.336 45.254 1.00 0.00 H ATOM 1647 N ALA A 217 -33.965 4.816 42.287 1.00 24.90 N ATOM 1648 CA ALA A 217 -33.957 4.446 40.875 1.00 25.24 C ATOM 1649 C ALA A 217 -32.598 4.703 40.235 1.00 21.82 C ATOM 1650 O ALA A 217 -32.157 3.938 39.369 1.00 22.49 O ATOM 1651 CB ALA A 217 -35.044 5.220 40.131 1.00 28.12 C ATOM 1652 H ALA A 217 -34.582 5.587 42.612 1.00 0.00 H ATOM 1653 N GLU A 218 -31.923 5.776 40.645 1.00 20.20 N ATOM 1654 CA GLU A 218 -30.662 6.190 40.044 1.00 22.35 C ATOM 1655 C GLU A 218 -29.442 5.711 40.816 1.00 20.52 C ATOM 1656 O GLU A 218 -28.329 5.756 40.281 1.00 20.51 O ATOM 1657 CB GLU A 218 -30.614 7.719 39.936 1.00 22.87 C ATOM 1658 CG GLU A 218 -31.616 8.283 38.953 1.00 29.95 C ATOM 1659 CD GLU A 218 -31.338 7.830 37.538 1.00 39.12 C ATOM 1660 OE1 GLU A 218 -30.149 7.676 37.190 1.00 27.56 O ATOM 1661 OE2 GLU A 218 -32.304 7.613 36.779 1.00 35.74 O ATOM 1662 H GLU A 218 -32.312 6.341 41.426 1.00 0.00 H ATOM 1663 N TRP A 219 -29.630 5.252 42.049 1.00 19.65 N ATOM 1664 CA TRP A 219 -28.499 4.884 42.899 1.00 16.26 C ATOM 1665 C TRP A 219 -27.600 3.844 42.240 1.00 16.64 C ATOM 1666 O TRP A 219 -26.374 4.054 42.209 1.00 17.87 O ATOM 1667 CB TRP A 219 -29.058 4.424 44.249 1.00 12.34 C ATOM 1668 CG TRP A 219 -28.107 4.372 45.409 1.00 12.97 C ATOM 1669 CD1 TRP A 219 -26.753 4.200 45.373 1.00 16.07 C ATOM 1670 CD2 TRP A 219 -28.461 4.485 46.793 1.00 15.48 C ATOM 1671 NE1 TRP A 219 -26.244 4.204 46.653 1.00 14.63 N ATOM 1672 CE2 TRP A 219 -27.273 4.376 47.541 1.00 13.13 C ATOM 1673 CE3 TRP A 219 -29.671 4.665 47.472 1.00 14.74 C ATOM 1674 CZ2 TRP A 219 -27.259 4.443 48.934 1.00 11.08 C ATOM 1675 CZ3 TRP A 219 -29.656 4.737 48.852 1.00 15.11 C ATOM 1676 CH2 TRP A 219 -28.459 4.623 49.570 1.00 17.72 C ATOM 1677 HE1 TRP A 219 -25.241 4.094 46.905 1.00 0.00 H ATOM 1678 H TRP A 219 -30.598 5.153 42.415 1.00 0.00 H ATOM 1679 N PRO A 220 -28.114 2.740 41.685 1.00 18.08 N ATOM 1680 CA PRO A 220 -27.214 1.786 41.009 1.00 17.41 C ATOM 1681 C PRO A 220 -26.436 2.399 39.858 1.00 19.69 C ATOM 1682 O PRO A 220 -25.249 2.094 39.684 1.00 21.14 O ATOM 1683 CB PRO A 220 -28.173 0.689 40.521 1.00 23.89 C ATOM 1684 CG PRO A 220 -29.355 0.790 41.423 1.00 26.02 C ATOM 1685 CD PRO A 220 -29.503 2.251 41.708 1.00 23.43 C ATOM 1686 N THR A 221 -27.076 3.251 39.055 1.00 22.27 N ATOM 1687 CA THR A 221 -26.375 3.883 37.943 1.00 22.45 C ATOM 1688 C THR A 221 -25.293 4.831 38.443 1.00 21.35 C ATOM 1689 O THR A 221 -24.231 4.953 37.823 1.00 25.49 O ATOM 1690 CB THR A 221 -27.368 4.626 37.052 1.00 22.63 C ATOM 1691 OG1 THR A 221 -28.313 3.694 36.508 1.00 24.43 O ATOM 1692 CG2 THR A 221 -26.643 5.336 35.915 1.00 26.11 C ATOM 1693 HG1 THR A 221 -28.800 3.250 37.247 1.00 0.00 H ATOM 1694 H THR A 221 -28.080 3.466 39.223 1.00 0.00 H ATOM 1695 N SER A 222 -25.548 5.519 39.557 1.00 22.19 N ATOM 1696 CA SER A 222 -24.544 6.420 40.112 1.00 21.93 C ATOM 1697 C SER A 222 -23.339 5.645 40.626 1.00 20.30 C ATOM 1698 O SER A 222 -22.194 6.076 40.449 1.00 19.59 O ATOM 1699 CB SER A 222 -25.162 7.263 41.227 1.00 16.57 C ATOM 1700 OG SER A 222 -26.242 8.031 40.726 1.00 20.02 O ATOM 1701 HG SER A 222 -26.630 8.570 41.460 1.00 0.00 H ATOM 1702 H SER A 222 -26.467 5.413 40.032 1.00 0.00 H ATOM 1703 N ILE A 223 -23.577 4.497 41.263 1.00 17.69 N ATOM 1704 CA ILE A 223 -22.475 3.655 41.716 1.00 18.08 C ATOM 1705 C ILE A 223 -21.639 3.193 40.529 1.00 17.35 C ATOM 1706 O ILE A 223 -20.405 3.147 40.600 1.00 23.09 O ATOM 1707 CB ILE A 223 -23.015 2.467 42.533 1.00 15.17 C ATOM 1708 CG1 ILE A 223 -23.489 2.952 43.907 1.00 21.17 C ATOM 1709 CG2 ILE A 223 -21.954 1.377 42.674 1.00 22.73 C ATOM 1710 CD1 ILE A 223 -24.155 1.884 44.748 1.00 28.67 C ATOM 1711 H ILE A 223 -24.558 4.199 41.438 1.00 0.00 H ATOM 1712 N GLU A 224 -22.295 2.832 39.423 1.00 19.13 N ATOM 1713 CA GLU A 224 -21.552 2.410 38.240 1.00 23.02 C ATOM 1714 C GLU A 224 -20.620 3.510 37.749 1.00 27.68 C ATOM 1715 O GLU A 224 -19.525 3.217 37.255 1.00 26.36 O ATOM 1716 CB GLU A 224 -22.514 1.997 37.125 1.00 25.82 C ATOM 1717 CG GLU A 224 -21.812 1.493 35.874 1.00 37.00 C ATOM 1718 H GLU A 224 -23.335 2.852 39.405 1.00 0.00 H ATOM 1719 N ARG A 225 -21.030 4.775 37.873 1.00 24.36 N ATOM 1720 CA ARG A 225 -20.154 5.874 37.478 1.00 23.31 C ATOM 1721 C ARG A 225 -18.932 5.951 38.384 1.00 26.73 C ATOM 1722 O ARG A 225 -17.828 6.262 37.923 1.00 21.62 O ATOM 1723 CB ARG A 225 -20.918 7.198 37.501 1.00 20.41 C ATOM 1724 CG ARG A 225 -22.045 7.284 36.487 1.00 31.03 C ATOM 1725 CD ARG A 225 -22.463 8.728 36.237 1.00 26.66 C ATOM 1726 NE ARG A 225 -23.614 8.813 35.340 1.00 26.72 N ATOM 1727 CZ ARG A 225 -24.881 8.824 35.743 1.00 25.39 C ATOM 1728 NH1 ARG A 225 -25.175 8.757 37.036 1.00 25.21 N ATOM 1729 NH2 ARG A 225 -25.859 8.901 34.850 1.00 31.50 N ATOM 1730 HE ARG A 225 -23.430 8.869 34.318 1.00 0.00 H ATOM 1731 HH12 ARG A 225 -26.168 8.766 37.345 1.00 0.00 H ATOM 1732 HH11 ARG A 225 -24.412 8.695 37.740 1.00 0.00 H ATOM 1733 HH22 ARG A 225 -26.850 8.910 35.164 1.00 0.00 H ATOM 1734 HH21 ARG A 225 -25.634 8.953 33.836 1.00 0.00 H ATOM 1735 H ARG A 225 -21.977 4.978 38.252 1.00 0.00 H ATOM 1736 N ILE A 226 -19.111 5.676 39.676 1.00 23.37 N ATOM 1737 CA ILE A 226 -17.977 5.645 40.596 1.00 17.91 C ATOM 1738 C ILE A 226 -16.996 4.558 40.176 1.00 20.90 C ATOM 1739 O ILE A 226 -15.788 4.795 40.054 1.00 23.56 O ATOM 1740 CB ILE A 226 -18.466 5.424 42.038 1.00 16.14 C ATOM 1741 CG1 ILE A 226 -19.473 6.508 42.435 1.00 19.03 C ATOM 1742 CG2 ILE A 226 -17.283 5.395 42.997 1.00 18.37 C ATOM 1743 CD1 ILE A 226 -20.174 6.231 43.739 1.00 24.53 C ATOM 1744 H ILE A 226 -20.068 5.481 40.033 1.00 0.00 H ATOM 1745 N GLN A 227 -17.510 3.345 39.955 1.00 20.79 N ATOM 1746 CA GLN A 227 -16.662 2.229 39.554 1.00 22.96 C ATOM 1747 C GLN A 227 -15.902 2.547 38.274 1.00 26.53 C ATOM 1748 O GLN A 227 -14.708 2.244 38.160 1.00 28.81 O ATOM 1749 CB GLN A 227 -17.519 0.973 39.375 1.00 27.78 C ATOM 1750 CG GLN A 227 -16.813 -0.188 38.685 1.00 47.40 C ATOM 1751 CD GLN A 227 -15.643 -0.732 39.483 1.00 53.00 C ATOM 1752 OE1 GLN A 227 -15.788 -1.101 40.648 1.00 40.33 O ATOM 1753 NE2 GLN A 227 -14.473 -0.786 38.854 1.00 48.76 N ATOM 1754 HE22 GLN A 227 -14.397 -0.463 37.868 1.00 0.00 H ATOM 1755 HE21 GLN A 227 -13.634 -1.151 39.348 1.00 0.00 H ATOM 1756 H GLN A 227 -18.532 3.194 40.071 1.00 0.00 H ATOM 1757 N GLN A 228 -16.579 3.151 37.296 1.00 25.51 N ATOM 1758 CA GLN A 228 -15.932 3.449 36.023 1.00 28.11 C ATOM 1759 C GLN A 228 -14.858 4.519 36.172 1.00 27.99 C ATOM 1760 O GLN A 228 -13.873 4.513 35.425 1.00 30.45 O ATOM 1761 CB GLN A 228 -16.975 3.889 34.996 1.00 34.90 C ATOM 1762 CG GLN A 228 -17.920 2.779 34.556 1.00 42.71 C ATOM 1763 CD GLN A 228 -17.195 1.620 33.897 1.00 41.36 C ATOM 1764 OE1 GLN A 228 -16.397 1.812 32.979 1.00 53.15 O ATOM 1765 NE2 GLN A 228 -17.463 0.408 34.370 1.00 49.90 N ATOM 1766 HE22 GLN A 228 -18.144 0.292 35.147 1.00 0.00 H ATOM 1767 HE21 GLN A 228 -16.991 -0.425 33.963 1.00 0.00 H ATOM 1768 H GLN A 228 -17.575 3.411 37.442 1.00 0.00 H ATOM 1769 N HIS A 229 -15.021 5.432 37.128 1.00 25.57 N ATOM 1770 CA HIS A 229 -14.110 6.561 37.273 1.00 25.78 C ATOM 1771 C HIS A 229 -12.913 6.251 38.161 1.00 25.99 C ATOM 1772 O HIS A 229 -11.848 6.853 37.980 1.00 27.43 O ATOM 1773 CB HIS A 229 -14.862 7.765 37.847 1.00 24.29 C ATOM 1774 CG HIS A 229 -14.383 9.084 37.326 1.00 36.30 C ATOM 1775 ND1 HIS A 229 -14.939 9.693 36.222 1.00 36.83 N ATOM 1776 CD2 HIS A 229 -13.403 9.912 37.759 1.00 38.65 C ATOM 1777 CE1 HIS A 229 -14.322 10.839 35.996 1.00 39.88 C ATOM 1778 NE2 HIS A 229 -13.386 10.996 36.915 1.00 38.72 N ATOM 1779 H HIS A 229 -15.819 5.337 37.788 1.00 0.00 H ATOM 1780 N TYR A 230 -13.058 5.328 39.119 1.00 23.31 N ATOM 1781 CA TYR A 230 -11.997 5.033 40.085 1.00 23.88 C ATOM 1782 C TYR A 230 -11.746 3.530 40.189 1.00 21.81 C ATOM 1783 O TYR A 230 -11.716 2.964 41.282 1.00 25.30 O ATOM 1784 CB TYR A 230 -12.352 5.622 41.448 1.00 23.86 C ATOM 1785 CG TYR A 230 -12.592 7.112 41.392 1.00 24.37 C ATOM 1786 CD1 TYR A 230 -11.549 7.991 41.133 1.00 23.29 C ATOM 1787 CD2 TYR A 230 -13.861 7.641 41.587 1.00 24.43 C ATOM 1788 CE1 TYR A 230 -11.759 9.353 41.073 1.00 29.20 C ATOM 1789 CE2 TYR A 230 -14.082 9.005 41.528 1.00 27.81 C ATOM 1790 CZ TYR A 230 -13.027 9.856 41.270 1.00 26.38 C ATOM 1791 OH TYR A 230 -13.237 11.214 41.211 1.00 26.47 O ATOM 1792 HH TYR A 230 -12.380 11.671 41.018 1.00 0.00 H ATOM 1793 H TYR A 230 -13.954 4.803 39.180 1.00 0.00 H ATOM 1794 N PRO A 231 -11.539 2.851 39.056 1.00 27.55 N ATOM 1795 CA PRO A 231 -11.276 1.405 39.108 1.00 28.85 C ATOM 1796 C PRO A 231 -9.996 1.044 39.838 1.00 30.01 C ATOM 1797 O PRO A 231 -9.836 -0.116 40.237 1.00 26.66 O ATOM 1798 CB PRO A 231 -11.198 1.011 37.626 1.00 25.48 C ATOM 1799 CG PRO A 231 -10.791 2.271 36.929 1.00 29.86 C ATOM 1800 CD PRO A 231 -11.463 3.377 37.683 1.00 29.34 C ATOM 1801 N GLU A 232 -9.079 1.990 40.024 1.00 25.04 N ATOM 1802 CA GLU A 232 -7.801 1.704 40.659 1.00 30.01 C ATOM 1803 C GLU A 232 -7.834 1.886 42.171 1.00 25.76 C ATOM 1804 O GLU A 232 -6.806 1.681 42.825 1.00 25.86 O ATOM 1805 CB GLU A 232 -6.699 2.588 40.053 1.00 31.45 C ATOM 1806 CG GLU A 232 -6.752 4.067 40.440 1.00 33.47 C ATOM 1807 CD GLU A 232 -7.738 4.873 39.611 1.00 37.91 C ATOM 1808 OE1 GLU A 232 -8.666 4.275 39.029 1.00 35.07 O ATOM 1809 OE2 GLU A 232 -7.579 6.111 39.540 1.00 46.75 O ATOM 1810 H GLU A 232 -9.281 2.960 39.707 1.00 0.00 H ATOM 1811 N ALA A 233 -8.978 2.260 42.743 1.00 25.19 N ATOM 1812 CA ALA A 233 -9.044 2.509 44.176 1.00 23.45 C ATOM 1813 C ALA A 233 -8.664 1.258 44.955 1.00 31.12 C ATOM 1814 O ALA A 233 -9.127 0.153 44.653 1.00 22.73 O ATOM 1815 CB ALA A 233 -10.446 2.975 44.572 1.00 20.35 C ATOM 1816 H ALA A 233 -9.832 2.375 42.160 1.00 0.00 H ATOM 1817 N GLN A 234 -7.806 1.439 45.958 1.00 23.16 N ATOM 1818 CA GLN A 234 -7.381 0.352 46.827 1.00 29.62 C ATOM 1819 C GLN A 234 -8.070 0.373 48.184 1.00 36.99 C ATOM 1820 O GLN A 234 -8.150 -0.672 48.837 1.00 26.45 O ATOM 1821 CB GLN A 234 -5.864 0.405 47.031 1.00 25.95 C ATOM 1822 CG GLN A 234 -5.071 0.110 45.768 1.00 41.68 C ATOM 1823 CD GLN A 234 -5.264 -1.315 45.285 1.00 48.03 C ATOM 1824 OE1 GLN A 234 -5.037 -2.269 46.028 1.00 59.76 O ATOM 1825 NE2 GLN A 234 -5.696 -1.467 44.037 1.00 46.41 N ATOM 1826 HE22 GLN A 234 -5.875 -0.632 43.443 1.00 0.00 H ATOM 1827 HE21 GLN A 234 -5.855 -2.421 43.654 1.00 0.00 H ATOM 1828 H GLN A 234 -7.426 2.392 46.126 1.00 0.00 H ATOM 1829 N PHE A 235 -8.564 1.532 48.614 1.00 22.74 N ATOM 1830 CA PHE A 235 -9.298 1.675 49.863 1.00 20.36 C ATOM 1831 C PHE A 235 -10.618 2.371 49.567 1.00 23.73 C ATOM 1832 O PHE A 235 -10.637 3.387 48.864 1.00 26.31 O ATOM 1833 CB PHE A 235 -8.495 2.486 50.888 1.00 23.90 C ATOM 1834 CG PHE A 235 -7.058 2.067 51.008 1.00 32.96 C ATOM 1835 CD1 PHE A 235 -6.113 2.508 50.093 1.00 30.58 C ATOM 1836 CD2 PHE A 235 -6.646 1.247 52.045 1.00 44.47 C ATOM 1837 CE1 PHE A 235 -4.789 2.128 50.204 1.00 45.84 C ATOM 1838 CE2 PHE A 235 -5.324 0.865 52.161 1.00 41.45 C ATOM 1839 CZ PHE A 235 -4.394 1.306 51.240 1.00 42.19 C ATOM 1840 H PHE A 235 -8.418 2.378 48.028 1.00 0.00 H ATOM 1841 N VAL A 236 -11.715 1.829 50.095 1.00 20.37 N ATOM 1842 CA VAL A 236 -13.044 2.412 49.925 1.00 18.15 C ATOM 1843 C VAL A 236 -13.631 2.683 51.306 1.00 23.88 C ATOM 1844 O VAL A 236 -13.821 1.753 52.098 1.00 18.02 O ATOM 1845 CB VAL A 236 -13.978 1.499 49.113 1.00 20.12 C ATOM 1846 CG1 VAL A 236 -15.352 2.142 48.980 1.00 19.52 C ATOM 1847 CG2 VAL A 236 -13.390 1.198 47.738 1.00 29.83 C ATOM 1848 H VAL A 236 -11.621 0.955 50.651 1.00 0.00 H ATOM 1849 N ILE A 237 -13.945 3.946 51.573 1.00 17.23 N ATOM 1850 CA ILE A 237 -14.447 4.393 52.872 1.00 19.81 C ATOM 1851 C ILE A 237 -15.944 4.627 52.757 1.00 23.31 C ATOM 1852 O ILE A 237 -16.365 5.494 51.972 1.00 17.58 O ATOM 1853 CB ILE A 237 -13.740 5.679 53.332 1.00 19.63 C ATOM 1854 CG1 ILE A 237 -12.214 5.541 53.259 1.00 30.35 C ATOM 1855 CG2 ILE A 237 -14.213 6.081 54.728 1.00 17.55 C ATOM 1856 CD1 ILE A 237 -11.663 4.283 53.862 1.00 41.95 C ATOM 1857 H ILE A 237 -13.828 4.653 50.820 1.00 0.00 H ATOM 1858 N PRO A 238 -16.784 3.931 53.521 1.00 13.37 N ATOM 1859 CA PRO A 238 -18.209 4.255 53.544 1.00 14.50 C ATOM 1860 C PRO A 238 -18.499 5.387 54.519 1.00 17.19 C ATOM 1861 O PRO A 238 -17.691 5.716 55.391 1.00 15.46 O ATOM 1862 CB PRO A 238 -18.857 2.944 54.003 1.00 21.94 C ATOM 1863 CG PRO A 238 -17.837 2.344 54.916 1.00 14.90 C ATOM 1864 CD PRO A 238 -16.473 2.806 54.427 1.00 17.29 C ATOM 1865 N GLY A 239 -19.675 5.995 54.354 1.00 13.19 N ATOM 1866 CA GLY A 239 -20.071 7.052 55.267 1.00 15.60 C ATOM 1867 C GLY A 239 -20.187 6.566 56.697 1.00 14.76 C ATOM 1868 O GLY A 239 -19.951 7.327 57.640 1.00 17.74 O ATOM 1869 H GLY A 239 -20.305 5.713 53.576 1.00 0.00 H ATOM 1870 N HIS A 240 -20.535 5.294 56.875 1.00 16.28 N ATOM 1871 CA HIS A 240 -20.714 4.692 58.187 1.00 13.69 C ATOM 1872 C HIS A 240 -20.158 3.279 58.162 1.00 16.05 C ATOM 1873 O HIS A 240 -20.555 2.473 57.316 1.00 18.00 O ATOM 1874 CB HIS A 240 -22.194 4.649 58.578 1.00 15.20 C ATOM 1875 CG HIS A 240 -22.879 5.973 58.491 1.00 13.30 C ATOM 1876 ND1 HIS A 240 -22.860 6.886 59.519 1.00 15.47 N ATOM 1877 CD2 HIS A 240 -23.607 6.538 57.497 1.00 20.03 C ATOM 1878 CE1 HIS A 240 -23.545 7.960 59.166 1.00 14.82 C ATOM 1879 NE2 HIS A 240 -24.006 7.773 57.942 1.00 11.93 N ATOM 1880 H HIS A 240 -20.687 4.701 56.034 1.00 0.00 H ATOM 1881 N GLY A 241 -19.249 2.982 59.078 1.00 17.16 N ATOM 1882 CA GLY A 241 -18.790 1.624 59.268 1.00 24.47 C ATOM 1883 C GLY A 241 -17.409 1.352 58.705 1.00 16.95 C ATOM 1884 O GLY A 241 -16.603 2.251 58.453 1.00 17.10 O ATOM 1885 H GLY A 241 -18.858 3.740 59.672 1.00 0.00 H ATOM 1886 N LEU A 242 -17.149 0.063 58.495 1.00 16.14 N ATOM 1887 CA LEU A 242 -15.793 -0.411 58.239 1.00 16.58 C ATOM 1888 C LEU A 242 -15.391 -0.145 56.791 1.00 16.16 C ATOM 1889 O LEU A 242 -16.165 -0.440 55.874 1.00 18.13 O ATOM 1890 CB LEU A 242 -15.676 -1.903 58.534 1.00 23.48 C ATOM 1891 CG LEU A 242 -15.915 -2.364 59.976 1.00 26.63 C ATOM 1892 CD1 LEU A 242 -15.540 -3.831 60.116 1.00 33.93 C ATOM 1893 CD2 LEU A 242 -15.142 -1.516 60.977 1.00 23.97 C ATOM 1894 H LEU A 242 -17.931 -0.622 58.514 1.00 0.00 H ATOM 1895 N PRO A 243 -14.199 0.397 56.549 1.00 19.02 N ATOM 1896 CA PRO A 243 -13.690 0.484 55.178 1.00 17.70 C ATOM 1897 C PRO A 243 -13.422 -0.897 54.601 1.00 26.02 C ATOM 1898 O PRO A 243 -13.359 -1.907 55.306 1.00 23.81 O ATOM 1899 CB PRO A 243 -12.392 1.280 55.327 1.00 23.83 C ATOM 1900 CG PRO A 243 -12.516 1.997 56.622 1.00 39.29 C ATOM 1901 CD PRO A 243 -13.306 1.078 57.501 1.00 23.24 C ATOM 1902 N GLY A 244 -13.257 -0.924 53.296 1.00 17.91 N ATOM 1903 CA GLY A 244 -12.914 -2.144 52.595 1.00 19.05 C ATOM 1904 C GLY A 244 -12.349 -1.807 51.241 1.00 19.90 C ATOM 1905 O GLY A 244 -11.698 -0.775 51.062 1.00 18.81 O ATOM 1906 H GLY A 244 -13.376 -0.045 52.753 1.00 0.00 H ATOM 1907 N GLY A 245 -12.604 -2.688 50.275 1.00 25.73 N ATOM 1908 CA GLY A 245 -12.192 -2.487 48.908 1.00 28.92 C ATOM 1909 C GLY A 245 -13.352 -2.104 48.009 1.00 18.34 C ATOM 1910 O GLY A 245 -14.445 -1.759 48.461 1.00 19.28 O ATOM 1911 H GLY A 245 -13.122 -3.557 50.517 1.00 0.00 H ATOM 1912 N LEU A 246 -13.096 -2.181 46.700 1.00 22.91 N ATOM 1913 CA LEU A 246 -14.115 -1.821 45.719 1.00 23.62 C ATOM 1914 C LEU A 246 -15.347 -2.713 45.792 1.00 25.85 C ATOM 1915 O LEU A 246 -16.393 -2.347 45.243 1.00 20.80 O ATOM 1916 CB LEU A 246 -13.525 -1.861 44.308 1.00 19.99 C ATOM 1917 CG LEU A 246 -12.764 -0.602 43.883 1.00 19.73 C ATOM 1918 CD1 LEU A 246 -12.001 -0.846 42.593 1.00 24.04 C ATOM 1919 CD2 LEU A 246 -13.718 0.577 43.726 1.00 26.60 C ATOM 1920 H LEU A 246 -12.161 -2.501 46.377 1.00 0.00 H ATOM 1921 N ASP A 247 -15.244 -3.877 46.442 1.00 20.28 N ATOM 1922 CA ASP A 247 -16.408 -4.738 46.636 1.00 36.47 C ATOM 1923 C ASP A 247 -17.574 -3.982 47.258 1.00 26.01 C ATOM 1924 O ASP A 247 -18.736 -4.343 47.039 1.00 23.76 O ATOM 1925 CB ASP A 247 -16.045 -5.929 47.530 1.00 32.17 C ATOM 1926 CG ASP A 247 -15.296 -7.019 46.788 1.00 21.62 C ATOM 1927 OD1 ASP A 247 -14.862 -6.781 45.642 1.00 27.61 O ATOM 1928 OD2 ASP A 247 -15.137 -8.118 47.361 1.00 21.83 O ATOM 1929 H ASP A 247 -14.320 -4.174 46.816 1.00 0.00 H ATOM 1930 N LEU A 248 -17.287 -2.941 48.043 1.00 21.49 N ATOM 1931 CA LEU A 248 -18.351 -2.219 48.736 1.00 15.20 C ATOM 1932 C LEU A 248 -19.331 -1.581 47.761 1.00 21.40 C ATOM 1933 O LEU A 248 -20.493 -1.349 48.115 1.00 19.15 O ATOM 1934 CB LEU A 248 -17.757 -1.148 49.655 1.00 18.07 C ATOM 1935 CG LEU A 248 -17.410 -1.584 51.080 1.00 22.22 C ATOM 1936 CD1 LEU A 248 -16.360 -2.686 51.071 1.00 23.43 C ATOM 1937 CD2 LEU A 248 -16.934 -0.390 51.904 1.00 19.08 C ATOM 1938 H LEU A 248 -16.298 -2.642 48.162 1.00 0.00 H ATOM 1939 N LEU A 249 -18.888 -1.283 46.538 1.00 19.82 N ATOM 1940 CA LEU A 249 -19.784 -0.681 45.556 1.00 19.70 C ATOM 1941 C LEU A 249 -20.850 -1.674 45.105 1.00 19.30 C ATOM 1942 O LEU A 249 -22.049 -1.378 45.166 1.00 19.97 O ATOM 1943 CB LEU A 249 -18.983 -0.164 44.361 1.00 17.08 C ATOM 1944 CG LEU A 249 -18.282 1.188 44.537 1.00 23.99 C ATOM 1945 CD1 LEU A 249 -17.329 1.178 45.722 1.00 32.78 C ATOM 1946 CD2 LEU A 249 -17.539 1.560 43.265 1.00 24.02 C ATOM 1947 H LEU A 249 -17.899 -1.481 46.283 1.00 0.00 H ATOM 1948 N LYS A 250 -20.436 -2.860 44.648 1.00 19.13 N ATOM 1949 CA LYS A 250 -21.415 -3.873 44.261 1.00 18.82 C ATOM 1950 C LYS A 250 -22.292 -4.260 45.444 1.00 17.25 C ATOM 1951 O LYS A 250 -23.502 -4.467 45.288 1.00 18.62 O ATOM 1952 CB LYS A 250 -20.711 -5.105 43.687 1.00 18.77 C ATOM 1953 CG LYS A 250 -21.655 -6.168 43.116 1.00 35.45 C ATOM 1954 CD LYS A 250 -22.538 -5.609 42.005 1.00 34.17 C ATOM 1955 CE LYS A 250 -23.261 -6.713 41.247 1.00 44.21 C ATOM 1956 NZ LYS A 250 -24.388 -6.186 40.422 1.00 43.70 N ATOM 1957 HZ1 LYS A 250 -25.077 -5.713 41.041 1.00 0.00 H ATOM 1958 HZ2 LYS A 250 -24.019 -5.505 39.728 1.00 0.00 H ATOM 1959 HZ3 LYS A 250 -24.850 -6.974 39.925 1.00 0.00 H ATOM 1960 H LYS A 250 -19.419 -3.061 44.568 1.00 0.00 H ATOM 1961 N HIS A 251 -21.703 -4.355 46.639 1.00 19.57 N ATOM 1962 CA HIS A 251 -22.499 -4.634 47.829 1.00 16.97 C ATOM 1963 C HIS A 251 -23.621 -3.615 47.978 1.00 19.49 C ATOM 1964 O HIS A 251 -24.779 -3.977 48.213 1.00 18.71 O ATOM 1965 CB HIS A 251 -21.621 -4.631 49.081 1.00 20.00 C ATOM 1966 CG HIS A 251 -22.410 -4.652 50.354 1.00 19.63 C ATOM 1967 ND1 HIS A 251 -23.056 -5.780 50.810 1.00 18.81 N ATOM 1968 CD2 HIS A 251 -22.690 -3.671 51.244 1.00 20.04 C ATOM 1969 CE1 HIS A 251 -23.683 -5.499 51.938 1.00 14.25 C ATOM 1970 NE2 HIS A 251 -23.478 -4.227 52.224 1.00 14.12 N ATOM 1971 H HIS A 251 -20.674 -4.230 46.721 1.00 0.00 H ATOM 1972 N THR A 252 -23.292 -2.329 47.840 1.00 15.95 N ATOM 1973 CA THR A 252 -24.304 -1.287 47.980 1.00 15.78 C ATOM 1974 C THR A 252 -25.382 -1.431 46.914 1.00 15.15 C ATOM 1975 O THR A 252 -26.575 -1.298 47.207 1.00 17.13 O ATOM 1976 CB THR A 252 -23.650 0.093 47.904 1.00 15.85 C ATOM 1977 OG1 THR A 252 -22.652 0.207 48.928 1.00 18.35 O ATOM 1978 CG2 THR A 252 -24.688 1.195 48.090 1.00 22.85 C ATOM 1979 HG1 THR A 252 -21.964 -0.492 48.796 1.00 0.00 H ATOM 1980 H THR A 252 -22.307 -2.068 47.631 1.00 0.00 H ATOM 1981 N THR A 253 -24.985 -1.707 45.671 1.00 14.96 N ATOM 1982 CA THR A 253 -25.974 -1.958 44.628 1.00 20.51 C ATOM 1983 C THR A 253 -26.897 -3.105 45.022 1.00 16.20 C ATOM 1984 O THR A 253 -28.120 -3.006 44.871 1.00 18.08 O ATOM 1985 CB THR A 253 -25.273 -2.253 43.300 1.00 22.57 C ATOM 1986 OG1 THR A 253 -24.507 -1.109 42.899 1.00 27.54 O ATOM 1987 CG2 THR A 253 -26.288 -2.586 42.206 1.00 20.17 C ATOM 1988 HG1 THR A 253 -24.054 -1.301 42.040 1.00 0.00 H ATOM 1989 H THR A 253 -23.970 -1.743 45.445 1.00 0.00 H ATOM 1990 N ASN A 254 -26.334 -4.194 45.551 1.00 19.21 N ATOM 1991 CA ASN A 254 -27.153 -5.336 45.945 1.00 22.81 C ATOM 1992 C ASN A 254 -28.186 -4.931 46.990 1.00 16.68 C ATOM 1993 O ASN A 254 -29.369 -5.273 46.881 1.00 18.86 O ATOM 1994 CB ASN A 254 -26.268 -6.460 46.489 1.00 22.20 C ATOM 1995 CG ASN A 254 -25.347 -7.047 45.437 1.00 23.33 C ATOM 1996 OD1 ASN A 254 -25.600 -6.941 44.237 1.00 22.61 O ATOM 1997 ND2 ASN A 254 -24.274 -7.686 45.888 1.00 26.04 N ATOM 1998 HD22 ASN A 254 -24.099 -7.751 46.911 1.00 0.00 H ATOM 1999 HD21 ASN A 254 -23.608 -8.121 45.218 1.00 0.00 H ATOM 2000 H ASN A 254 -25.303 -4.229 45.683 1.00 0.00 H ATOM 2001 N VAL A 255 -27.747 -4.204 48.017 1.00 17.20 N ATOM 2002 CA VAL A 255 -28.644 -3.786 49.091 1.00 16.11 C ATOM 2003 C VAL A 255 -29.719 -2.852 48.555 1.00 15.91 C ATOM 2004 O VAL A 255 -30.896 -2.960 48.918 1.00 16.61 O ATOM 2005 CB VAL A 255 -27.829 -3.127 50.220 1.00 19.52 C ATOM 2006 CG1 VAL A 255 -28.747 -2.550 51.291 1.00 20.90 C ATOM 2007 CG2 VAL A 255 -26.858 -4.136 50.821 1.00 19.39 C ATOM 2008 H VAL A 255 -26.745 -3.929 48.054 1.00 0.00 H ATOM 2009 N VAL A 256 -29.334 -1.918 47.685 1.00 14.90 N ATOM 2010 CA VAL A 256 -30.290 -0.954 47.150 1.00 18.47 C ATOM 2011 C VAL A 256 -31.345 -1.660 46.310 1.00 14.45 C ATOM 2012 O VAL A 256 -32.541 -1.359 46.404 1.00 17.81 O ATOM 2013 CB VAL A 256 -29.549 0.127 46.340 1.00 17.64 C ATOM 2014 CG1 VAL A 256 -30.530 0.963 45.526 1.00 20.35 C ATOM 2015 CG2 VAL A 256 -28.736 1.013 47.270 1.00 19.67 C ATOM 2016 H VAL A 256 -28.339 -1.876 47.384 1.00 0.00 H ATOM 2017 N LYS A 257 -30.921 -2.604 45.470 1.00 19.44 N ATOM 2018 CA LYS A 257 -31.874 -3.314 44.626 1.00 18.48 C ATOM 2019 C LYS A 257 -32.794 -4.197 45.459 1.00 15.82 C ATOM 2020 O LYS A 257 -33.997 -4.283 45.185 1.00 18.60 O ATOM 2021 CB LYS A 257 -31.128 -4.141 43.582 1.00 17.69 C ATOM 2022 CG LYS A 257 -30.349 -3.300 42.589 1.00 27.73 C ATOM 2023 CD LYS A 257 -29.864 -4.135 41.419 1.00 31.72 C ATOM 2024 CE LYS A 257 -29.392 -3.256 40.271 1.00 31.61 C ATOM 2025 NZ LYS A 257 -29.407 -3.986 38.973 1.00 48.10 N ATOM 2026 HZ1 LYS A 257 -28.777 -4.811 39.033 1.00 0.00 H ATOM 2027 HZ2 LYS A 257 -30.376 -4.302 38.766 1.00 0.00 H ATOM 2028 HZ3 LYS A 257 -29.079 -3.352 38.216 1.00 0.00 H ATOM 2029 H LYS A 257 -29.908 -2.834 45.417 1.00 0.00 H ATOM 2030 N ALA A 258 -32.248 -4.860 46.480 1.00 16.06 N ATOM 2031 CA ALA A 258 -33.082 -5.645 47.384 1.00 19.92 C ATOM 2032 C ALA A 258 -34.151 -4.775 48.025 1.00 18.89 C ATOM 2033 O ALA A 258 -35.328 -5.150 48.078 1.00 20.04 O ATOM 2034 CB ALA A 258 -32.216 -6.304 48.456 1.00 22.37 C ATOM 2035 H ALA A 258 -31.220 -4.817 46.633 1.00 0.00 H ATOM 2036 N HIS A 259 -33.755 -3.605 48.521 1.00 17.90 N ATOM 2037 CA HIS A 259 -34.731 -2.700 49.114 1.00 22.32 C ATOM 2038 C HIS A 259 -35.743 -2.236 48.074 1.00 28.25 C ATOM 2039 O HIS A 259 -36.943 -2.153 48.362 1.00 19.10 O ATOM 2040 CB HIS A 259 -34.022 -1.506 49.760 1.00 23.48 C ATOM 2041 CG HIS A 259 -34.962 -0.500 50.338 1.00 23.29 C ATOM 2042 ND1 HIS A 259 -35.581 -0.667 51.552 1.00 28.21 N ATOM 2043 CD2 HIS A 259 -35.404 0.681 49.848 1.00 29.30 C ATOM 2044 CE1 HIS A 259 -36.358 0.378 51.795 1.00 22.85 C ATOM 2045 NE2 HIS A 259 -36.268 1.208 50.776 1.00 32.39 N ATOM 2046 H HIS A 259 -32.751 -3.337 48.485 1.00 0.00 H ATOM 2047 N THR A 260 -35.286 -1.947 46.850 1.00 17.49 N ATOM 2048 CA THR A 260 -36.209 -1.540 45.791 1.00 17.78 C ATOM 2049 C THR A 260 -37.305 -2.579 45.571 1.00 26.92 C ATOM 2050 O THR A 260 -38.466 -2.221 45.341 1.00 26.92 O ATOM 2051 CB THR A 260 -35.453 -1.289 44.483 1.00 18.01 C ATOM 2052 OG1 THR A 260 -34.599 -0.147 44.624 1.00 24.27 O ATOM 2053 CG2 THR A 260 -36.434 -1.050 43.325 1.00 27.47 C ATOM 2054 HG1 THR A 260 -34.114 0.008 43.775 1.00 0.00 H ATOM 2055 H THR A 260 -34.267 -2.012 46.650 1.00 0.00 H ATOM 2056 N ASN A 261 -36.958 -3.867 45.607 1.00 20.21 N ATOM 2057 CA ASN A 261 -37.933 -4.937 45.402 1.00 19.40 C ATOM 2058 C ASN A 261 -38.625 -5.359 46.692 1.00 34.87 C ATOM 2059 O ASN A 261 -39.258 -6.418 46.725 1.00 32.38 O ATOM 2060 CB ASN A 261 -37.275 -6.167 44.765 1.00 21.00 C ATOM 2061 CG ASN A 261 -36.796 -5.907 43.349 1.00 30.29 C ATOM 2062 OD1 ASN A 261 -37.184 -4.921 42.725 1.00 29.78 O ATOM 2063 ND2 ASN A 261 -35.959 -6.803 42.826 1.00 22.54 N ATOM 2064 HD22 ASN A 261 -35.656 -7.623 43.390 1.00 0.00 H ATOM 2065 HD21 ASN A 261 -35.609 -6.682 41.854 1.00 0.00 H ATOM 2066 H ASN A 261 -35.965 -4.117 45.786 1.00 0.00 H ATOM 2067 N ARG A 262 -38.512 -4.565 47.750 1.00 34.60 N ATOM 2068 CA ARG A 262 -39.138 -4.880 49.024 1.00 34.40 C ATOM 2069 C ARG A 262 -40.637 -5.134 48.876 1.00 32.80 C ATOM 2070 O ARG A 262 -41.338 -4.396 48.182 1.00 41.47 O ATOM 2071 CB ARG A 262 -38.892 -3.744 50.008 1.00 43.37 C ATOM 2072 CG ARG A 262 -39.583 -2.449 49.629 1.00 48.60 C ATOM 2073 CD ARG A 262 -39.256 -1.374 50.639 1.00 31.70 C ATOM 2074 NE ARG A 262 -39.939 -0.113 50.373 1.00 31.52 N ATOM 2075 CZ ARG A 262 -39.647 0.699 49.363 1.00 45.30 C ATOM 2076 NH1 ARG A 262 -38.694 0.376 48.498 1.00 23.68 N ATOM 2077 NH2 ARG A 262 -40.320 1.831 49.211 1.00 40.40 N ATOM 2078 HE ARG A 262 -40.705 0.169 51.017 1.00 0.00 H ATOM 2079 HH12 ARG A 262 -38.469 1.015 47.709 1.00 0.00 H ATOM 2080 HH11 ARG A 262 -38.172 -0.516 48.609 1.00 0.00 H ATOM 2081 HH22 ARG A 262 -40.094 2.469 48.421 1.00 0.00 H ATOM 2082 HH21 ARG A 262 -41.074 2.081 49.882 1.00 0.00 H ATOM 2083 H ARG A 262 -37.958 -3.689 47.665 1.00 0.00 H TER 2084 ARG A 262 HETATM 2085 ZN ZN A 1 -27.082 11.188 54.684 1.00 16.30 ZN HETATM 2086 ZN ZN A 2 -24.568 9.321 56.700 1.00 16.87 ZN HETATM 2087 ZN ZN A 3 -14.171 32.056 53.216 1.00 22.86 ZN HETATM 2088 O HOH 4 -1.726 19.986 48.881 1.00 35.47 O HETATM 2089 O HOH 5 -5.241 25.578 70.159 1.00 38.01 O HETATM 2090 O HOH 6 -14.376 -7.926 50.764 1.00 28.36 O HETATM 2091 O HOH 7 -13.430 -8.111 44.591 1.00 39.59 O HETATM 2092 O HOH 8 -21.118 10.321 75.573 1.00 44.03 O HETATM 2093 O HOH 9 -12.217 30.247 49.529 1.00 36.03 O HETATM 2094 O HOH 10 -9.131 7.705 38.680 1.00 26.78 O HETATM 2095 O HOH 11 -12.529 -2.184 67.129 1.00 33.41 O HETATM 2096 O HOH 12 0.037 22.516 66.130 1.00 46.56 O HETATM 2097 O HOH 13 -10.650 29.250 51.152 1.00 43.42 O HETATM 2098 O HOH 14 -8.562 15.311 71.840 1.00 33.60 O HETATM 2099 O HOH 15 -20.612 4.673 71.757 1.00 45.42 O HETATM 2100 O HOH 16 -24.245 -8.080 58.688 1.00 39.07 O HETATM 2101 O HOH 17 -0.863 23.677 51.219 1.00 40.78 O HETATM 2102 O HOH 18 -13.669 -5.144 50.942 1.00 32.76 O HETATM 2103 O HOH 19 -27.005 -6.118 42.375 1.00 32.35 O HETATM 2104 O HOH 20 -16.715 19.975 36.378 1.00 47.93 O HETATM 2105 O HOH 21 -11.294 13.081 36.530 1.00 39.00 O HETATM 2106 O HOH 22 -19.722 0.172 65.261 1.00 44.45 O HETATM 2107 O HOH 23 -25.638 14.108 71.061 1.00 39.01 O HETATM 2108 O HOH 24 -29.873 2.969 38.383 1.00 24.49 O HETATM 2109 O HOH 25 -33.943 19.593 52.362 1.00 28.09 O HETATM 2110 O HOH 26 -7.655 21.265 64.799 1.00 25.90 O HETATM 2111 O HOH 27 -13.283 -9.844 47.712 1.00 27.63 O HETATM 2112 O HOH 28 -14.936 -6.759 43.083 1.00 42.21 O HETATM 2113 O HOH 29 -29.469 19.865 62.370 1.00 38.28 O HETATM 2114 O HOH 30 -18.138 -2.021 41.245 1.00 36.50 O HETATM 2115 O HOH 31 -22.063 14.503 70.419 1.00 36.94 O HETATM 2116 O HOH 32 -24.266 18.453 42.437 1.00 25.75 O HETATM 2117 O HOH 33 -22.673 1.689 56.011 1.00 19.11 O HETATM 2118 O HOH 34 -20.823 14.957 33.291 1.00 40.62 O HETATM 2119 O HOH 35 -25.207 28.075 46.579 1.00 17.91 O HETATM 2120 O HOH 36 -23.653 18.118 44.997 1.00 17.98 O HETATM 2121 O HOH 37 -30.189 26.682 58.348 1.00 30.76 O HETATM 2122 O HOH 38 -5.665 21.574 38.657 1.00 36.65 O HETATM 2123 O HOH 39 -21.389 10.501 49.076 1.00 15.83 O HETATM 2124 O HOH 40 -24.938 20.821 65.068 1.00 45.55 O HETATM 2125 O HOH 41 -29.642 15.041 59.010 1.00 21.34 O HETATM 2126 O HOH 42 -19.634 12.202 60.577 1.00 19.97 O HETATM 2127 O HOH 43 -17.688 4.438 61.102 1.00 18.58 O HETATM 2128 O HOH 44 -22.411 4.277 54.646 1.00 14.93 O HETATM 2129 O HOH 45 -17.623 -3.437 43.161 1.00 35.71 O HETATM 2130 O HOH 46 -40.953 -2.537 46.222 1.00 34.42 O HETATM 2131 O HOH 47 -28.899 5.491 53.023 1.00 20.46 O HETATM 2132 O HOH 48 -20.845 0.004 61.831 1.00 27.10 O HETATM 2133 O HOH 49 -35.560 19.539 58.998 1.00 41.26 O HETATM 2134 O HOH 50 -20.096 29.950 63.238 1.00 33.13 O HETATM 2135 O HOH 51 -16.995 16.109 73.587 1.00 37.76 O HETATM 2136 O HOH 52 -7.149 22.740 52.867 1.00 25.11 O HETATM 2137 O HOH 53 -21.294 30.348 48.563 1.00 24.82 O HETATM 2138 O HOH 54 -24.256 13.719 32.978 1.00 39.70 O HETATM 2139 O HOH 55 -26.915 20.993 60.776 1.00 19.67 O HETATM 2140 O HOH 56 -5.863 19.873 71.312 1.00 23.46 O HETATM 2141 O HOH 57 -28.801 8.808 35.159 1.00 35.19 O HETATM 2142 O HOH 58 -8.631 5.186 36.498 1.00 31.93 O HETATM 2143 O HOH 59 -16.461 18.498 72.354 1.00 27.72 O HETATM 2144 O HOH 60 -15.332 26.801 66.887 1.00 29.48 O HETATM 2145 O HOH 61 -31.663 17.875 60.448 1.00 27.37 O HETATM 2146 O HOH 62 -16.592 28.456 57.095 1.00 18.48 O HETATM 2147 O HOH 63 -18.854 10.648 69.289 1.00 22.63 O HETATM 2148 O HOH 64 -0.091 19.597 68.678 1.00 31.99 O HETATM 2149 O HOH 65 -1.548 5.563 44.292 1.00 47.76 O HETATM 2150 O HOH 66 -21.577 19.259 48.467 1.00 18.46 O HETATM 2151 O HOH 67 -3.538 13.205 46.348 1.00 24.83 O HETATM 2152 O HOH 68 -29.869 -4.249 36.309 1.00 39.42 O HETATM 2153 O HOH 69 -27.717 8.290 38.235 1.00 29.85 O HETATM 2154 O HOH 70 -35.721 -7.839 48.107 1.00 43.62 O HETATM 2155 O HOH 71 -22.090 24.822 39.760 1.00 43.75 O HETATM 2156 O HOH 72 -21.688 11.592 51.715 1.00 13.40 O HETATM 2157 O HOH 73 1.945 15.695 61.859 1.00 40.92 O HETATM 2158 O HOH 74 -11.039 15.751 71.282 1.00 37.70 O HETATM 2159 O HOH 75 -21.844 16.364 68.366 1.00 25.77 O HETATM 2160 O HOH 76 -24.309 -0.425 40.224 1.00 33.54 O HETATM 2161 O HOH 77 -31.787 14.232 48.417 1.00 19.75 O HETATM 2162 O HOH 78 -30.553 21.097 45.397 1.00 39.94 O HETATM 2163 O HOH 79 -15.581 27.710 46.191 1.00 42.40 O HETATM 2164 O HOH 80 -33.494 14.973 55.823 1.00 39.04 O HETATM 2165 O HOH 81 -31.480 9.476 52.329 1.00 20.35 O HETATM 2166 O HOH 82 -24.937 27.455 59.131 1.00 24.91 O HETATM 2167 O HOH 83 -18.599 -3.887 57.259 1.00 19.98 O HETATM 2168 O HOH 84 -14.798 -4.211 54.713 1.00 24.26 O HETATM 2169 O HOH 85 -26.359 21.435 35.516 1.00 35.00 O HETATM 2170 O HOH 86 -23.720 0.640 58.883 1.00 34.56 O HETATM 2171 O HOH 87 -17.192 -2.937 55.195 1.00 18.28 O HETATM 2172 O HOH 88 -26.922 15.188 36.426 1.00 35.71 O HETATM 2173 O HOH 89 -4.883 21.082 64.137 1.00 29.67 O HETATM 2174 O HOH 90 -19.608 -3.115 61.228 1.00 28.72 O HETATM 2175 O HOH 91 -33.177 0.654 42.351 1.00 23.99 O HETATM 2176 O HOH 92 -21.593 22.548 41.379 1.00 25.05 O HETATM 2177 O HOH 93 -33.883 2.194 38.022 1.00 26.66 O HETATM 2178 O HOH 94 -28.524 11.390 38.980 1.00 29.23 O HETATM 2179 O HOH 95 -12.663 -5.353 46.644 1.00 40.95 O HETATM 2180 O HOH 96 -32.766 26.399 49.795 1.00 38.13 O HETATM 2181 O HOH 97 -4.763 7.047 42.010 1.00 38.24 O HETATM 2182 O HOH 98 -21.658 23.740 64.707 1.00 18.57 O HETATM 2183 O HOH 99 -22.771 -9.364 44.205 1.00 20.60 O HETATM 2184 O HOH 100 -30.038 -7.670 45.570 1.00 25.53 O HETATM 2185 O HOH 101 -11.520 -2.213 39.412 1.00 23.07 O HETATM 2186 O HOH 102 -8.535 -1.398 42.378 1.00 28.84 O HETATM 2187 O HOH 103 -9.175 10.816 38.597 1.00 43.32 O HETATM 2188 O HOH 104 -10.436 26.985 47.889 1.00 32.29 O HETATM 2189 O HOH 105 -21.893 30.849 61.655 1.00 42.67 O HETATM 2190 O HOH 106 -26.933 27.093 46.705 1.00 15.22 O HETATM 2191 O HOH 107 -29.349 24.190 62.363 1.00 31.37 O HETATM 2192 O HOH 108 1.384 23.967 52.678 1.00 40.71 O HETATM 2193 O HOH 109 -9.796 16.831 38.435 1.00 44.13 O HETATM 2194 O HOH 110 -11.856 22.480 69.463 1.00 39.83 O HETATM 2195 O HOH 111 -8.521 -3.271 47.714 1.00 37.77 O HETATM 2196 O HOH 112 -32.934 25.595 61.870 1.00 32.99 O HETATM 2197 O HOH 113 -16.896 2.268 62.715 1.00 22.42 O HETATM 2198 O HOH 114 -18.123 29.561 43.838 1.00 33.44 O HETATM 2199 O HOH 115 -18.250 22.269 54.934 1.00 18.62 O HETATM 2200 O HOH 116 -24.972 5.282 54.212 1.00 21.94 O HETATM 2201 O HOH 117 -26.942 1.417 35.337 1.00 49.27 O HETATM 2202 O HOH 118 -7.598 23.040 43.837 1.00 35.07 O HETATM 2203 O HOH 119 -1.771 9.604 63.089 1.00 41.84 O HETATM 2204 O HOH 120 -27.236 17.588 42.813 1.00 26.89 O HETATM 2205 O HOH 121 -23.520 19.118 69.839 1.00 37.99 O HETATM 2206 O HOH 122 -24.156 29.240 45.151 1.00 35.81 O HETATM 2207 O HOH 123 -7.602 8.880 67.740 1.00 29.41 O HETATM 2208 O HOH 124 -35.134 5.917 55.716 1.00 41.09 O HETATM 2209 O HOH 125 -31.050 16.488 57.280 1.00 22.90 O HETATM 2210 O HOH 126 -10.269 -2.388 45.902 1.00 34.82 O HETATM 2211 O HOH 127 -12.961 1.908 34.394 1.00 36.98 O HETATM 2212 O HOH 128 -31.964 -3.968 51.475 1.00 40.43 O HETATM 2213 O HOH 129 -17.239 11.546 61.837 1.00 16.41 O HETATM 2214 O HOH 130 -17.700 7.558 35.247 1.00 34.72 O HETATM 2215 O HOH 131 -15.612 30.305 46.917 1.00 41.97 O HETATM 2216 O HOH 132 -3.696 2.478 61.027 1.00 47.71 O HETATM 2217 O HOH 133 -10.682 -3.601 61.660 1.00 40.48 O HETATM 2218 O HOH 134 -16.050 17.286 34.875 1.00 39.49 O HETATM 2219 O HOH 135 -22.486 -2.323 40.999 1.00 36.28 O HETATM 2220 O HOH 136 -32.187 27.577 57.026 1.00 30.57 O HETATM 2221 O HOH 137 3.116 21.036 63.483 1.00 34.34 O HETATM 2222 O HOH 138 -33.844 -2.777 52.980 1.00 39.05 O HETATM 2223 O HOH 139 -15.430 25.990 43.094 1.00 33.19 O HETATM 2224 O HOH 140 -9.710 -0.541 53.407 1.00 34.56 O HETATM 2225 O HOH 141 -11.769 -2.566 57.872 1.00 40.69 O HETATM 2226 O HOH 142 -25.699 25.537 65.065 1.00 41.46 O HETATM 2227 O HOH 143 -28.561 -1.548 37.233 1.00 35.14 O HETATM 2228 O HOH 144 -11.942 12.752 71.437 1.00 36.68 O HETATM 2229 O HOH 145 -3.582 -1.398 58.756 1.00 51.55 O HETATM 2230 O HOH 146 -11.388 -6.170 49.148 1.00 36.54 O HETATM 2231 O HOH 147 -37.775 3.891 49.891 1.00 31.02 O HETATM 2232 O HOH 148 -8.355 31.481 59.472 1.00 32.73 O HETATM 2233 O HOH 149 -23.530 -8.898 55.702 1.00 34.65 O HETATM 2234 O HOH 150 -18.350 30.819 47.012 1.00 35.54 O HETATM 2235 O HOH 151 -7.280 23.885 62.920 1.00 38.60 O HETATM 2236 O HOH 152 -17.285 -6.311 57.507 1.00 36.71 O HETATM 2237 O HOH 153 -1.773 13.454 51.218 1.00 26.96 O HETATM 2238 O HOH 154 -14.311 -0.195 35.654 1.00 36.11 O HETATM 2239 O HOH 155 -28.024 22.029 63.347 1.00 29.19 O HETATM 2240 O HOH 156 -13.527 28.792 67.669 1.00 37.67 O HETATM 2241 O HOH 157 -14.617 23.745 42.463 1.00 47.55 O HETATM 2242 O HOH 158 -14.292 -3.999 41.315 1.00 37.07 O HETATM 2243 O HOH 159 -7.721 16.046 40.243 1.00 43.97 O HETATM 2244 O HOH 160 1.401 13.046 56.737 1.00 42.40 O HETATM 2245 O HOH 161 -28.994 14.027 63.101 1.00 39.14 O HETATM 2246 O HOH 162 -24.274 21.419 42.556 1.00 25.32 O HETATM 2247 O HOH 163 -6.230 1.206 55.875 1.00 37.25 O HETATM 2248 O HOH 164 -24.069 25.598 39.709 1.00 40.16 O HETATM 2249 O HOH 165 -13.760 19.162 72.706 1.00 39.45 O HETATM 2250 O HOH 166 -22.927 2.172 60.693 1.00 32.73 O HETATM 2251 O HOH 167 -20.612 27.590 66.787 1.00 45.86 O HETATM 2252 O HOH 168 0.133 14.127 51.921 1.00 23.52 O HETATM 2253 O HOH 169 -27.356 5.486 55.973 1.00 30.68 O HETATM 2254 O HOH 170 -31.405 27.510 60.741 1.00 34.12 O HETATM 2255 O HOH 171 -25.692 3.210 56.062 1.00 51.91 O HETATM 2256 O HOH 172 -28.556 28.032 48.339 1.00 36.46 O HETATM 2257 O HOH 173 -20.993 4.264 34.014 1.00 44.62 O HETATM 2258 O HOH 174 -16.953 -5.823 42.708 1.00 39.21 O HETATM 2259 O HOH 175 -34.655 17.484 51.062 1.00 32.03 O HETATM 2260 O HOH 176 -35.649 -5.990 51.729 1.00 39.93 O HETATM 2261 O HOH 177 -10.874 17.679 36.064 1.00 45.12 O HETATM 2262 O HOH 178 -26.173 18.629 64.169 1.00 33.86 O HETATM 2263 O HOH 179 -21.014 -5.922 62.608 1.00 41.55 O HETATM 2264 O HOH 180 -28.045 26.794 62.031 1.00 40.60 O HETATM 2265 O HOH 181 -18.428 32.333 62.566 1.00 30.13 O HETATM 2266 O HOH 182 -26.002 30.990 54.212 1.00 36.35 O HETATM 2267 O HOH 183 -12.571 14.363 35.017 1.00 49.49 O HETATM 2268 O HOH 184 -12.265 21.668 72.449 1.00 46.00 O HETATM 2269 O HOH 185 -27.481 4.713 73.931 1.00 41.57 O HETATM 2270 O HOH 186 -10.421 -4.645 55.391 1.00 47.75 O HETATM 2271 O HOH 187 -26.213 -1.607 38.280 1.00 33.08 O HETATM 2272 O HOH 188 -10.552 25.127 43.847 1.00 49.52 O HETATM 2273 O HOH 189 -33.713 15.728 48.880 1.00 40.86 O HETATM 2274 O HOH 190 -18.493 0.071 63.214 1.00 24.21 O HETATM 2275 O HOH 191 -35.826 19.383 50.735 1.00 43.07 O HETATM 2276 O HOH 192 -1.144 -1.618 59.606 1.00 47.59 O HETATM 2277 O HOH 193 -25.340 -0.079 36.102 1.00 44.17 O HETATM 2278 O HOH 194 -22.519 25.381 66.682 1.00 30.30 O HETATM 2279 O HOH 195 -30.493 0.294 37.970 1.00 26.07 O HETATM 2280 O HOH 196 -19.245 9.211 34.738 1.00 36.84 O HETATM 2281 O HOH 197 -20.053 23.990 70.508 1.00 48.60 O HETATM 2282 O HOH 198 -20.224 -1.365 40.463 1.00 37.43 O HETATM 2283 O HOH 199 -24.471 1.652 34.725 1.00 44.16 O HETATM 2284 O HOH 200 -30.342 -9.698 47.159 1.00 38.67 O HETATM 2285 O HOH 201 -12.178 17.501 73.171 1.00 34.91 O HETATM 2286 O HOH 202 -17.983 27.288 68.189 1.00 36.24 O HETATM 2287 O HOH 203 -14.570 24.845 68.630 1.00 42.60 O HETATM 2288 O HOH 204 -34.265 22.314 47.385 1.00 40.44 O HETATM 2289 O HOH 205 -15.816 -4.055 63.794 1.00 30.21 O HETATM 2290 O HOH 206 -29.349 4.770 76.360 1.00 33.37 O HETATM 2291 O HOH 207 -8.665 1.154 55.165 1.00 35.26 O HETATM 2292 O HOH 208 -18.361 26.038 70.196 1.00 48.82 O HETATM 2293 C10 S A 5 -25.914 4.502 60.270 1.00 -0.06 C HETATM 2294 C09 S A 5 -26.342 5.818 60.124 1.00 -0.05 C HETATM 2295 C08 S A 5 -27.702 6.154 60.194 1.00 -0.02 C HETATM 2296 C13 S A 5 -28.606 5.106 60.410 1.00 -0.05 C HETATM 2297 C12 S A 5 -28.175 3.788 60.558 1.00 -0.06 C HETATM 2298 C11 S A 5 -26.824 3.477 60.488 1.00 -0.06 C HETATM 2299 H6 S A 5 -26.486 2.453 60.601 1.00 0.06 H HETATM 2300 H7 S A 5 -28.900 3.001 60.729 1.00 0.06 H HETATM 2301 H2 S A 5 -29.666 5.325 60.463 1.00 0.06 H HETATM 2302 C07 S A 5 -28.144 7.558 60.027 1.00 -0.02 C HETATM 2303 C06 S A 5 -29.188 8.021 60.817 1.00 -0.06 C HETATM 2304 C05 S A 5 -29.644 9.329 60.685 1.00 -0.05 C HETATM 2305 C04 S A 5 -29.092 10.218 59.773 1.00 0.01 C HETATM 2306 C15 S A 5 -28.037 9.765 58.959 1.00 -0.02 C HETATM 2307 C14 S A 5 -27.585 8.444 59.100 1.00 -0.05 C HETATM 2308 H8 S A 5 -26.774 8.098 58.469 1.00 0.06 H HETATM 2309 C16 S A 5 -27.390 10.650 57.949 1.00 0.03 C HETATM 2310 S17 S A 5 -26.844 9.763 56.486 1.00 -0.16 S HETATM 2311 H11 S A 5 -26.417 10.410 55.842 1.00 0.10 H HETATM 2312 H9 S A 5 -26.517 11.132 58.413 1.00 0.05 H HETATM 2313 H10 S A 5 -28.114 11.420 57.642 1.00 0.05 H HETATM 2314 C02 S A 5 -29.691 11.635 59.718 1.00 0.06 C HETATM 2315 O01 S A 5 -28.899 12.593 59.660 1.00 -0.56 O HETATM 2316 O03 S A 5 -30.946 11.719 59.733 1.00 -0.56 O HETATM 2317 H3 S A 5 -30.459 9.665 61.316 1.00 0.06 H HETATM 2318 H4 S A 5 -29.650 7.360 61.541 1.00 0.06 H HETATM 2319 H5 S A 5 -25.610 6.599 59.953 1.00 0.06 H HETATM 2320 H1 S A 5 -24.856 4.274 60.213 1.00 0.06 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 745 743 744 2085 CONECT 765 764 767 2085 CONECT 786 784 2086 CONECT 1103 1101 1102 2087 CONECT 1325 1323 1324 2085 CONECT 1486 1485 2086 CONECT 1879 1877 1878 2086 CONECT 2085 745 765 1325 CONECT 2086 786 1486 1879 CONECT 2087 1103 CONECT 2293 2294 2298 2320 CONECT 2294 2293 2295 2319 CONECT 2295 2294 2296 2302 CONECT 2296 2295 2297 2301 CONECT 2297 2296 2298 2300 CONECT 2298 2293 2297 2299 CONECT 2299 2298 CONECT 2300 2297 CONECT 2301 2296 CONECT 2302 2295 2303 2307 CONECT 2303 2302 2304 2318 CONECT 2304 2303 2305 2317 CONECT 2305 2304 2306 2314 CONECT 2306 2305 2307 2309 CONECT 2307 2302 2306 2308 CONECT 2308 2307 CONECT 2309 2306 2310 2312 2313 CONECT 2310 2309 2311 CONECT 2311 2310 CONECT 2312 2309 CONECT 2313 2309 CONECT 2314 2305 2315 2316 CONECT 2315 2314 CONECT 2316 2314 CONECT 2317 2304 CONECT 2318 2303 CONECT 2319 2294 CONECT 2320 2293 MASTER 0 0 0 0 0 0 0 0 2319 1 42 18 END
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Structure:
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Related entries of code: 5k48
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
266aa, >2YZ3_1|Chains... *
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PDBbind
242aa, >4C1D_1|Chains... at 99%
4c1e
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PDBbind
242aa, >4C1E_1|Chains... at 99%
4pvo
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242aa, >4PVO_1|Chains... at 99%
4pvt
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5acw
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PDBbind
266aa, >5ACW_1|Chains... at 100%
5acx
RCSB PDB
PDBbind
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5fqc
RCSB PDB
PDBbind
242aa, >5FQC_1|Chains... at 99%
5lca
RCSB PDB
PDBbind
266aa, >5LCA_1|Chain... at 100%
5lcf
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PDBbind
266aa, >5LCF_1|Chain... at 100%
5lch
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PDBbind
266aa, >5LCH_1|Chain... at 100%
5le1
RCSB PDB
PDBbind
266aa, >5LE1_1|Chain... at 100%
5lm6
RCSB PDB
PDBbind
266aa, >5LM6_1|Chains... at 100%
5lsc
RCSB PDB
PDBbind
240aa, >5LSC_1|Chains... at 100%
5mm9
RCSB PDB
PDBbind
241aa, >5MM9_1|Chains... at 99%
5mxq
RCSB PDB
PDBbind
231aa, >5MXQ_1|Chain... at 100%
5mxr
RCSB PDB
PDBbind
232aa, >5MXR_1|Chain... at 100%
5n4s
RCSB PDB
PDBbind
232aa, >5N4S_1|Chains... at 99%
5n4t
RCSB PDB
PDBbind
234aa, >5N4T_1|Chains... at 100%
5nhz
RCSB PDB
PDBbind
266aa, >5NHZ_1|Chains... at 100%
5ni0
RCSB PDB
PDBbind
266aa, >5NI0_1|Chains... at 100%
5y6d
RCSB PDB
PDBbind
231aa, >5Y6D_1|Chains... at 100%
5y6e
RCSB PDB
PDBbind
231aa, >5Y6E_1|Chains... at 100%
6ew3
RCSB PDB
PDBbind
232aa, >6EW3_1|Chains... at 100%
6hf5
RCSB PDB
PDBbind
231aa, >6HF5_1|Chain... at 100%
6o5t
RCSB PDB
PDBbind
242aa, >6O5T_1|Chains... at 99%
6jn6
RCSB PDB
PDBbind
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6j8r
RCSB PDB
PDBbind
231aa, >6J8R_1|Chain... at 100%
6dd1
RCSB PDB
PDBbind
242aa, >6DD1_1|Chains... at 99%
5o7n
RCSB PDB
PDBbind
254aa, >5O7N_1|Chains... at 94%
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RCSB PDB
PDBbind
242aa, >6DD0_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5k48
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Beta-lactamase VIM-2
Ligand Name
S5Z
EC.Number
E.C.-.-.-.-
Resolution
1.74(Å)
Affinity (Kd/Ki/IC50)
Kd=0.251uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 1255-1260
Ligand Properties
Formula
C
1
4
H
1
2
O
2
S
Molecular Weight
244.309
Exact Mass
244.056
No. of atoms
29
No. of bonds
30
Polar Surface Area
76.1
LOGP Value
4.25 (
Computed with XLOGP3
)
3.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
SCc1cc(ccc1C(=O)O)c1ccccc1
InChI String
InChI=1S/C14H12O2S/c15-14(16)13-7-6-11(8-12(13)9-17)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,15,16)
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):
Q9K2N0
Entrez Gene ID
NCBI Entrez Gene ID:
61723701
ASD
Information of known allosteric effects of PDB entries
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