Browse entries in the PDBbind-CN Database
HEADER 6OOU_COMPLEX COMPND 6OOU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN VAL LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN VAL LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET MOL A 346 75 ATOM 1 N PRO A 1 28.595 7.656 -2.933 1.00 46.02 N ATOM 2 CA PRO A 1 27.630 7.059 -3.864 1.00 41.54 C ATOM 3 C PRO A 1 26.217 7.046 -3.303 1.00 42.96 C ATOM 4 O PRO A 1 26.015 7.394 -2.137 1.00 45.90 O ATOM 5 CB PRO A 1 28.157 5.635 -4.034 1.00 54.34 C ATOM 6 CG PRO A 1 28.743 5.317 -2.674 1.00 50.87 C ATOM 7 CD PRO A 1 29.260 6.637 -2.097 1.00 46.62 C ATOM 8 HN2 PRO A 1 28.095 8.325 -2.313 1.00 0.00 H ATOM 9 HN1 PRO A 1 29.318 8.166 -3.480 1.00 0.00 H ATOM 10 N GLN A 2 25.251 6.658 -4.129 1.00 43.03 N ATOM 11 CA GLN A 2 23.894 6.398 -3.663 1.00 41.90 C ATOM 12 C GLN A 2 23.770 4.914 -3.345 1.00 33.66 C ATOM 13 O GLN A 2 24.142 4.065 -4.161 1.00 41.61 O ATOM 14 CB GLN A 2 22.860 6.807 -4.710 1.00 46.11 C ATOM 15 CG GLN A 2 21.420 6.548 -4.292 1.00 34.33 C ATOM 16 CD GLN A 2 20.433 7.450 -5.014 1.00 40.09 C ATOM 17 OE1 GLN A 2 19.741 7.024 -5.941 1.00 46.84 O ATOM 18 NE2 GLN A 2 20.358 8.698 -4.586 1.00 37.21 N ATOM 19 HE22 GLN A 2 20.961 9.015 -3.800 1.00 0.00 H ATOM 20 HE21 GLN A 2 19.696 9.363 -5.035 1.00 0.00 H ATOM 21 H GLN A 2 25.469 6.536 -5.138 1.00 0.00 H ATOM 22 N ILE A 3 23.253 4.606 -2.160 1.00 35.24 N ATOM 23 CA ILE A 3 23.130 3.233 -1.687 1.00 32.43 C ATOM 24 C ILE A 3 21.661 2.955 -1.411 1.00 29.01 C ATOM 25 O ILE A 3 21.057 3.587 -0.534 1.00 33.28 O ATOM 26 CB ILE A 3 23.977 2.988 -0.429 1.00 35.19 C ATOM 27 CG1 ILE A 3 25.465 3.138 -0.756 1.00 38.54 C ATOM 28 CG2 ILE A 3 23.689 1.609 0.141 1.00 28.16 C ATOM 29 CD1 ILE A 3 26.348 3.334 0.455 1.00 28.75 C ATOM 30 H ILE A 3 22.923 5.377 -1.545 1.00 0.00 H ATOM 31 N THR A 4 21.086 2.024 -2.165 1.00 31.03 N ATOM 32 CA THR A 4 19.742 1.542 -1.901 1.00 29.45 C ATOM 33 C THR A 4 19.773 0.524 -0.764 1.00 27.55 C ATOM 34 O THR A 4 20.832 0.029 -0.369 1.00 26.84 O ATOM 35 CB THR A 4 19.132 0.913 -3.158 1.00 38.52 C ATOM 36 OG1 THR A 4 20.089 0.047 -3.782 1.00 33.68 O ATOM 37 CG2 THR A 4 18.694 2.000 -4.140 1.00 37.39 C ATOM 38 HG1 THR A 4 20.346 -0.669 -3.149 1.00 0.00 H ATOM 39 H THR A 4 21.615 1.629 -2.969 1.00 0.00 H ATOM 40 N LEU A 5 18.583 0.180 -0.263 1.00 30.85 N ATOM 41 CA LEU A 5 18.464 -0.557 0.989 1.00 30.10 C ATOM 42 C LEU A 5 17.738 -1.887 0.839 1.00 27.78 C ATOM 43 O LEU A 5 17.251 -2.428 1.838 1.00 24.37 O ATOM 44 CB LEU A 5 17.764 0.310 2.040 1.00 22.35 C ATOM 45 CG LEU A 5 18.465 1.635 2.338 1.00 23.59 C ATOM 46 CD1 LEU A 5 17.576 2.546 3.170 1.00 22.52 C ATOM 47 CD2 LEU A 5 19.791 1.390 3.036 1.00 32.98 C ATOM 48 H LEU A 5 17.720 0.445 -0.779 1.00 0.00 H ATOM 49 N TRP A 6 17.654 -2.420 -0.388 1.00 33.06 N ATOM 50 CA TRP A 6 17.110 -3.759 -0.584 1.00 33.05 C ATOM 51 C TRP A 6 17.988 -4.816 0.070 1.00 28.94 C ATOM 52 O TRP A 6 17.507 -5.917 0.364 1.00 32.16 O ATOM 53 CB TRP A 6 16.965 -4.074 -2.076 1.00 34.84 C ATOM 54 CG TRP A 6 16.146 -3.084 -2.839 1.00 31.35 C ATOM 55 CD1 TRP A 6 16.611 -2.098 -3.662 1.00 31.52 C ATOM 56 CD2 TRP A 6 14.718 -2.982 -2.854 1.00 33.00 C ATOM 57 NE1 TRP A 6 15.558 -1.388 -4.186 1.00 35.78 N ATOM 58 CE2 TRP A 6 14.386 -1.909 -3.705 1.00 32.36 C ATOM 59 CE3 TRP A 6 13.687 -3.690 -2.231 1.00 36.25 C ATOM 60 CZ2 TRP A 6 13.068 -1.532 -3.951 1.00 33.13 C ATOM 61 CZ3 TRP A 6 12.378 -3.310 -2.475 1.00 31.32 C ATOM 62 CH2 TRP A 6 12.082 -2.243 -3.327 1.00 29.72 C ATOM 63 HE1 TRP A 6 15.638 -0.585 -4.842 1.00 0.00 H ATOM 64 H TRP A 6 17.980 -1.872 -1.210 1.00 0.00 H ATOM 65 N LYS A 7 19.256 -4.499 0.314 1.00 28.40 N ATOM 66 CA LYS A 7 20.200 -5.392 0.974 1.00 36.69 C ATOM 67 C LYS A 7 20.753 -4.644 2.187 1.00 26.70 C ATOM 68 O LYS A 7 20.572 -3.429 2.327 1.00 26.62 O ATOM 69 CB LYS A 7 21.340 -5.821 0.034 1.00 32.54 C ATOM 70 H LYS A 7 19.593 -3.561 0.017 1.00 0.00 H ATOM 71 N ARG A 8 21.448 -5.361 3.058 1.00 25.46 N ATOM 72 CA ARG A 8 22.123 -4.713 4.173 1.00 24.71 C ATOM 73 C ARG A 8 23.214 -3.785 3.632 1.00 26.60 C ATOM 74 O ARG A 8 24.045 -4.216 2.823 1.00 23.03 O ATOM 75 CB ARG A 8 22.714 -5.765 5.111 1.00 31.08 C ATOM 76 CG ARG A 8 21.718 -6.363 6.112 1.00 25.47 C ATOM 77 CD ARG A 8 22.433 -6.825 7.387 1.00 41.35 C ATOM 78 NE ARG A 8 21.658 -7.786 8.171 1.00 57.41 N ATOM 79 CZ ARG A 8 21.853 -8.030 9.467 1.00 64.94 C ATOM 80 NH1 ARG A 8 22.799 -7.379 10.137 1.00 50.83 N ATOM 81 NH2 ARG A 8 21.101 -8.925 10.095 1.00 56.65 N ATOM 82 HE ARG A 8 20.905 -8.314 7.685 1.00 0.00 H ATOM 83 HH12 ARG A 8 22.947 -7.573 11.148 1.00 0.00 H ATOM 84 HH11 ARG A 8 23.391 -6.676 9.650 1.00 0.00 H ATOM 85 HH22 ARG A 8 21.254 -9.115 11.106 1.00 0.00 H ATOM 86 HH21 ARG A 8 20.359 -9.437 9.576 1.00 0.00 H ATOM 87 H ARG A 8 21.512 -6.393 2.944 1.00 0.00 H ATOM 88 N PRO A 9 23.234 -2.511 4.027 1.00 24.07 N ATOM 89 CA PRO A 9 24.271 -1.609 3.518 1.00 18.21 C ATOM 90 C PRO A 9 25.652 -1.851 4.120 1.00 26.37 C ATOM 91 O PRO A 9 26.133 -1.049 4.932 1.00 21.83 O ATOM 92 CB PRO A 9 23.730 -0.206 3.865 1.00 16.39 C ATOM 93 CG PRO A 9 22.851 -0.428 5.041 1.00 18.29 C ATOM 94 CD PRO A 9 22.250 -1.818 4.874 1.00 21.37 C ATOM 95 N LEU A 10 26.296 -2.940 3.704 1.00 29.62 N ATOM 96 CA LEU A 10 27.608 -3.300 4.220 1.00 32.55 C ATOM 97 C LEU A 10 28.707 -2.670 3.373 1.00 31.21 C ATOM 98 O LEU A 10 28.571 -2.535 2.154 1.00 33.01 O ATOM 99 CB LEU A 10 27.784 -4.817 4.242 1.00 37.24 C ATOM 100 CG LEU A 10 26.814 -5.621 5.103 1.00 29.31 C ATOM 101 CD1 LEU A 10 26.848 -7.094 4.700 1.00 42.27 C ATOM 102 CD2 LEU A 10 27.139 -5.462 6.578 1.00 33.80 C ATOM 103 H LEU A 10 25.849 -3.550 2.990 1.00 0.00 H ATOM 104 N VAL A 11 29.799 -2.283 4.031 1.00 28.66 N ATOM 105 CA VAL A 11 30.909 -1.613 3.369 1.00 28.65 C ATOM 106 C VAL A 11 32.218 -2.061 4.001 1.00 24.66 C ATOM 107 O VAL A 11 32.270 -2.460 5.169 1.00 26.25 O ATOM 108 CB VAL A 11 30.787 -0.074 3.449 1.00 33.81 C ATOM 109 CG1 VAL A 11 29.489 0.394 2.811 1.00 30.13 C ATOM 110 CG2 VAL A 11 30.880 0.382 4.891 1.00 26.21 C ATOM 111 H VAL A 11 29.861 -2.466 5.053 1.00 0.00 H ATOM 112 N THR A 12 33.286 -1.969 3.225 1.00 24.54 N ATOM 113 CA THR A 12 34.620 -2.296 3.708 1.00 27.30 C ATOM 114 C THR A 12 35.232 -1.042 4.317 1.00 32.70 C ATOM 115 O THR A 12 35.357 -0.015 3.643 1.00 36.31 O ATOM 116 CB THR A 12 35.486 -2.837 2.574 1.00 31.38 C ATOM 117 OG1 THR A 12 34.749 -3.835 1.854 1.00 27.50 O ATOM 118 CG2 THR A 12 36.762 -3.464 3.119 1.00 27.85 C ATOM 119 HG1 THR A 12 34.507 -4.572 2.469 1.00 0.00 H ATOM 120 H THR A 12 33.169 -1.654 2.241 1.00 0.00 H ATOM 121 N ILE A 13 35.597 -1.124 5.590 1.00 21.64 N ATOM 122 CA ILE A 13 36.194 -0.009 6.298 1.00 27.31 C ATOM 123 C ILE A 13 37.626 -0.375 6.655 1.00 38.49 C ATOM 124 O ILE A 13 38.019 -1.547 6.659 1.00 28.30 O ATOM 125 CB ILE A 13 35.390 0.375 7.554 1.00 31.78 C ATOM 126 CG1 ILE A 13 35.530 -0.680 8.644 1.00 22.34 C ATOM 127 CG2 ILE A 13 33.923 0.575 7.193 1.00 26.88 C ATOM 128 CD1 ILE A 13 35.094 -0.191 10.022 1.00 41.34 C ATOM 129 H ILE A 13 35.450 -2.020 6.098 1.00 0.00 H ATOM 130 N LYS A 14 38.414 0.647 6.967 1.00 28.99 N ATOM 131 CA LYS A 14 39.809 0.462 7.354 1.00 33.26 C ATOM 132 C LYS A 14 40.043 1.158 8.685 1.00 36.17 C ATOM 133 O LYS A 14 39.777 2.354 8.820 1.00 37.07 O ATOM 134 CB LYS A 14 40.777 0.999 6.299 1.00 31.90 C ATOM 135 CG LYS A 14 42.213 0.519 6.490 1.00 41.71 C ATOM 136 CD LYS A 14 43.135 1.114 5.434 1.00 57.06 C ATOM 137 CE LYS A 14 44.110 2.115 6.041 1.00 74.49 C ATOM 138 NZ LYS A 14 44.255 3.337 5.191 1.00 85.11 N ATOM 139 HZ1 LYS A 14 44.609 3.065 4.252 1.00 0.00 H ATOM 140 HZ2 LYS A 14 43.330 3.801 5.093 1.00 0.00 H ATOM 141 HZ3 LYS A 14 44.927 3.992 5.640 1.00 0.00 H ATOM 142 H LYS A 14 38.025 1.611 6.935 1.00 0.00 H ATOM 143 N ILE A 15 40.519 0.408 9.670 1.00 27.77 N ATOM 144 CA ILE A 15 40.777 0.908 11.012 1.00 34.06 C ATOM 145 C ILE A 15 41.961 0.135 11.575 1.00 32.05 C ATOM 146 O ILE A 15 42.053 -1.086 11.419 1.00 28.93 O ATOM 147 CB ILE A 15 39.529 0.762 11.905 1.00 35.01 C ATOM 148 CG1 ILE A 15 39.744 1.481 13.229 1.00 31.46 C ATOM 149 CG2 ILE A 15 39.206 -0.715 12.132 1.00 39.71 C ATOM 150 CD1 ILE A 15 38.571 1.358 14.192 1.00 31.87 C ATOM 151 H ILE A 15 40.719 -0.593 9.472 1.00 0.00 H ATOM 152 N GLY A 16 42.877 0.856 12.217 1.00 40.46 N ATOM 153 CA GLY A 16 44.058 0.235 12.787 1.00 32.41 C ATOM 154 C GLY A 16 44.885 -0.550 11.796 1.00 29.93 C ATOM 155 O GLY A 16 45.543 -1.518 12.180 1.00 41.31 O ATOM 156 H GLY A 16 42.744 1.883 12.312 1.00 0.00 H ATOM 157 N GLY A 17 44.867 -0.158 10.527 1.00 35.92 N ATOM 158 CA GLY A 17 45.592 -0.868 9.497 1.00 37.46 C ATOM 159 C GLY A 17 44.924 -2.123 8.989 1.00 45.54 C ATOM 160 O GLY A 17 45.491 -2.795 8.117 1.00 65.57 O ATOM 161 H GLY A 17 44.315 0.684 10.267 1.00 0.00 H ATOM 162 N GLN A 18 43.744 -2.459 9.501 1.00 36.55 N ATOM 163 CA GLN A 18 43.014 -3.654 9.110 1.00 39.04 C ATOM 164 C GLN A 18 41.775 -3.273 8.313 1.00 36.31 C ATOM 165 O GLN A 18 41.151 -2.241 8.561 1.00 37.91 O ATOM 166 CB GLN A 18 42.599 -4.461 10.347 1.00 40.90 C ATOM 167 CG GLN A 18 42.565 -5.965 10.160 1.00 50.33 C ATOM 168 CD GLN A 18 42.278 -6.690 11.459 1.00 50.30 C ATOM 169 OE1 GLN A 18 41.592 -6.164 12.335 1.00 57.54 O ATOM 170 NE2 GLN A 18 42.807 -7.901 11.594 1.00 66.33 N ATOM 171 HE22 GLN A 18 43.381 -8.306 10.827 1.00 0.00 H ATOM 172 HE21 GLN A 18 42.648 -8.444 12.467 1.00 0.00 H ATOM 173 H GLN A 18 43.321 -1.835 10.218 1.00 0.00 H ATOM 174 N LEU A 19 41.419 -4.118 7.355 1.00 24.70 N ATOM 175 CA LEU A 19 40.141 -4.005 6.673 1.00 25.71 C ATOM 176 C LEU A 19 39.077 -4.800 7.427 1.00 34.51 C ATOM 177 O LEU A 19 39.369 -5.809 8.069 1.00 33.10 O ATOM 178 CB LEU A 19 40.247 -4.509 5.236 1.00 31.51 C ATOM 179 CG LEU A 19 41.222 -3.789 4.308 1.00 26.30 C ATOM 180 CD1 LEU A 19 41.072 -4.324 2.880 1.00 41.65 C ATOM 181 CD2 LEU A 19 41.012 -2.286 4.332 1.00 33.63 C ATOM 182 H LEU A 19 42.072 -4.881 7.085 1.00 0.00 H ATOM 183 N LYS A 20 37.837 -4.324 7.353 1.00 28.79 N ATOM 184 CA LYS A 20 36.712 -5.001 7.988 1.00 25.80 C ATOM 185 C LYS A 20 35.448 -4.592 7.253 1.00 22.66 C ATOM 186 O LYS A 20 35.392 -3.532 6.629 1.00 27.15 O ATOM 187 CB LYS A 20 36.590 -4.649 9.474 1.00 19.96 C ATOM 188 CG LYS A 20 37.348 -5.568 10.411 1.00 35.50 C ATOM 189 CD LYS A 20 37.284 -5.053 11.845 1.00 36.96 C ATOM 190 CE LYS A 20 38.362 -5.690 12.715 1.00 44.06 C ATOM 191 NZ LYS A 20 38.273 -7.177 12.718 1.00 50.25 N ATOM 192 HZ1 LYS A 20 37.345 -7.467 13.087 1.00 0.00 H ATOM 193 HZ2 LYS A 20 38.388 -7.532 11.747 1.00 0.00 H ATOM 194 HZ3 LYS A 20 39.025 -7.567 13.322 1.00 0.00 H ATOM 195 H LYS A 20 37.665 -3.443 6.827 1.00 0.00 H ATOM 196 N GLU A 21 34.424 -5.427 7.367 1.00 24.26 N ATOM 197 CA GLU A 21 33.101 -5.111 6.848 1.00 26.65 C ATOM 198 C GLU A 21 32.257 -4.534 7.980 1.00 26.75 C ATOM 199 O GLU A 21 32.294 -5.027 9.112 1.00 19.07 O ATOM 200 CB GLU A 21 32.421 -6.339 6.249 1.00 27.93 C ATOM 201 CG GLU A 21 31.876 -6.123 4.845 1.00 48.82 C ATOM 202 CD GLU A 21 32.932 -5.646 3.856 1.00 66.16 C ATOM 203 OE1 GLU A 21 34.123 -5.987 4.038 1.00 56.10 O ATOM 204 OE2 GLU A 21 32.567 -4.922 2.899 1.00 82.93 O ATOM 205 H GLU A 21 34.571 -6.339 7.844 1.00 0.00 H ATOM 206 N ALA A 22 31.513 -3.474 7.675 1.00 22.99 N ATOM 207 CA ALA A 22 30.731 -2.763 8.672 1.00 22.62 C ATOM 208 C ALA A 22 29.380 -2.391 8.077 1.00 24.53 C ATOM 209 O ALA A 22 29.223 -2.259 6.863 1.00 20.85 O ATOM 210 CB ALA A 22 31.460 -1.508 9.165 1.00 23.90 C ATOM 211 H ALA A 22 31.490 -3.143 6.689 1.00 0.00 H ATOM 212 N LEU A 23 28.409 -2.212 8.955 1.00 19.04 N ATOM 213 CA LEU A 23 27.046 -1.879 8.568 1.00 19.30 C ATOM 214 C LEU A 23 26.810 -0.394 8.817 1.00 19.38 C ATOM 215 O LEU A 23 27.006 0.091 9.937 1.00 22.81 O ATOM 216 CB LEU A 23 26.048 -2.723 9.360 1.00 15.67 C ATOM 217 CG LEU A 23 24.566 -2.505 9.080 1.00 24.53 C ATOM 218 CD1 LEU A 23 24.200 -3.047 7.721 1.00 26.55 C ATOM 219 CD2 LEU A 23 23.711 -3.170 10.155 1.00 25.99 C ATOM 220 H LEU A 23 28.628 -2.313 9.967 1.00 0.00 H ATOM 221 N LEU A 24 26.400 0.319 7.774 1.00 22.46 N ATOM 222 CA LEU A 24 26.049 1.731 7.886 1.00 18.49 C ATOM 223 C LEU A 24 24.691 1.840 8.568 1.00 22.52 C ATOM 224 O LEU A 24 23.666 1.427 8.014 1.00 21.41 O ATOM 225 CB LEU A 24 26.034 2.370 6.508 1.00 23.91 C ATOM 226 CG LEU A 24 27.339 2.234 5.724 1.00 20.98 C ATOM 227 CD1 LEU A 24 27.214 2.919 4.358 1.00 25.84 C ATOM 228 CD2 LEU A 24 28.504 2.802 6.503 1.00 28.66 C ATOM 229 H LEU A 24 26.327 -0.145 6.846 1.00 0.00 H ATOM 230 N ASP A 25 24.681 2.408 9.768 1.00 18.72 N ATOM 231 CA ASP A 25 23.580 2.258 10.712 1.00 22.22 C ATOM 232 C ASP A 25 23.093 3.633 11.154 1.00 18.54 C ATOM 233 O ASP A 25 23.611 4.199 12.114 1.00 17.20 O ATOM 234 CB ASP A 25 24.063 1.403 11.887 1.00 17.98 C ATOM 235 CG ASP A 25 22.942 0.899 12.749 1.00 15.78 C ATOM 236 OD1 ASP A 25 21.800 1.370 12.562 1.00 18.50 O ATOM 237 OD2 ASP A 25 23.223 0.044 13.626 1.00 19.11 O ATOM 238 H ASP A 25 25.498 2.988 10.048 1.00 0.00 H ATOM 239 N THR A 26 22.078 4.160 10.460 1.00 18.87 N ATOM 240 CA THR A 26 21.562 5.481 10.809 1.00 20.21 C ATOM 241 C THR A 26 20.801 5.472 12.127 1.00 16.90 C ATOM 242 O THR A 26 20.518 6.548 12.670 1.00 17.36 O ATOM 243 CB THR A 26 20.651 6.029 9.705 1.00 17.02 C ATOM 244 OG1 THR A 26 19.639 5.069 9.375 1.00 18.88 O ATOM 245 CG2 THR A 26 21.466 6.365 8.469 1.00 16.93 C ATOM 246 HG1 THR A 26 20.068 4.235 9.057 1.00 0.00 H ATOM 247 H THR A 26 21.656 3.629 9.672 1.00 0.00 H ATOM 248 N GLY A 27 20.471 4.295 12.650 1.00 15.71 N ATOM 249 CA GLY A 27 19.851 4.165 13.950 1.00 16.57 C ATOM 250 C GLY A 27 20.814 4.060 15.112 1.00 17.13 C ATOM 251 O GLY A 27 20.385 3.936 16.265 1.00 15.17 O ATOM 252 H GLY A 27 20.667 3.433 12.102 1.00 0.00 H ATOM 253 N ALA A 28 22.114 4.099 14.846 1.00 13.96 N ATOM 254 CA ALA A 28 23.122 4.084 15.897 1.00 16.10 C ATOM 255 C ALA A 28 23.700 5.483 16.056 1.00 18.95 C ATOM 256 O ALA A 28 24.221 6.056 15.086 1.00 19.61 O ATOM 257 CB ALA A 28 24.230 3.085 15.574 1.00 17.20 C ATOM 258 H ALA A 28 22.423 4.142 13.854 1.00 0.00 H ATOM 259 N ASP A 29 23.600 6.036 17.272 1.00 17.52 N ATOM 260 CA ASP A 29 24.316 7.274 17.568 1.00 21.87 C ATOM 261 C ASP A 29 25.821 7.066 17.442 1.00 24.77 C ATOM 262 O ASP A 29 26.547 7.947 16.963 1.00 22.13 O ATOM 263 CB ASP A 29 24.004 7.773 18.982 1.00 17.97 C ATOM 264 CG ASP A 29 22.528 7.930 19.245 1.00 22.16 C ATOM 265 OD1 ASP A 29 21.713 7.928 18.293 1.00 22.87 O ATOM 266 OD2 ASP A 29 22.182 8.047 20.435 1.00 17.63 O ATOM 267 H ASP A 29 23.014 5.585 18.003 1.00 0.00 H ATOM 268 N ASP A 30 26.306 5.904 17.880 1.00 20.98 N ATOM 269 CA ASP A 30 27.732 5.646 18.020 1.00 22.80 C ATOM 270 C ASP A 30 28.148 4.466 17.153 1.00 24.30 C ATOM 271 O ASP A 30 27.332 3.623 16.775 1.00 18.95 O ATOM 272 CB ASP A 30 28.100 5.362 19.484 1.00 25.05 C ATOM 273 CG ASP A 30 27.596 6.436 20.428 1.00 25.16 C ATOM 274 OD1 ASP A 30 27.923 7.625 20.201 1.00 34.91 O ATOM 275 OD2 ASP A 30 26.866 6.096 21.385 1.00 37.64 O ATOM 276 H ASP A 30 25.637 5.149 18.133 1.00 0.00 H ATOM 277 N THR A 31 29.440 4.430 16.842 1.00 22.97 N ATOM 278 CA THR A 31 30.044 3.367 16.053 1.00 17.46 C ATOM 279 C THR A 31 30.605 2.309 16.993 1.00 20.41 C ATOM 280 O THR A 31 31.343 2.632 17.929 1.00 20.45 O ATOM 281 CB THR A 31 31.154 3.930 15.165 1.00 21.17 C ATOM 282 OG1 THR A 31 30.573 4.749 14.149 1.00 16.42 O ATOM 283 CG2 THR A 31 31.962 2.813 14.538 1.00 21.96 C ATOM 284 HG1 THR A 31 30.075 5.493 14.571 1.00 0.00 H ATOM 285 H THR A 31 30.050 5.201 17.180 1.00 0.00 H ATOM 286 N VAL A 32 30.250 1.050 16.742 1.00 22.23 N ATOM 287 CA VAL A 32 30.559 -0.056 17.639 1.00 20.64 C ATOM 288 C VAL A 32 31.110 -1.206 16.811 1.00 20.77 C ATOM 289 O VAL A 32 30.443 -1.685 15.887 1.00 22.78 O ATOM 290 CB VAL A 32 29.322 -0.513 18.431 1.00 20.44 C ATOM 291 CG1 VAL A 32 29.717 -1.465 19.533 1.00 16.13 C ATOM 292 CG2 VAL A 32 28.566 0.699 18.988 1.00 25.22 C ATOM 293 H VAL A 32 29.728 0.847 15.866 1.00 0.00 H ATOM 294 N LEU A 33 32.311 -1.662 17.156 1.00 20.58 N ATOM 295 CA LEU A 33 32.995 -2.715 16.427 1.00 17.64 C ATOM 296 C LEU A 33 33.174 -3.946 17.307 1.00 20.82 C ATOM 297 O LEU A 33 33.279 -3.851 18.532 1.00 21.72 O ATOM 298 CB LEU A 33 34.362 -2.248 15.938 1.00 23.44 C ATOM 299 CG LEU A 33 34.384 -1.098 14.933 1.00 21.57 C ATOM 300 CD1 LEU A 33 35.833 -0.760 14.569 1.00 18.86 C ATOM 301 CD2 LEU A 33 33.603 -1.448 13.700 1.00 22.86 C ATOM 302 H LEU A 33 32.781 -1.246 17.985 1.00 0.00 H ATOM 303 N GLU A 34 33.214 -5.104 16.662 1.00 21.25 N ATOM 304 CA GLU A 34 33.450 -6.356 17.359 1.00 25.60 C ATOM 305 C GLU A 34 34.838 -6.358 17.999 1.00 32.86 C ATOM 306 O GLU A 34 35.674 -5.477 17.746 1.00 28.11 O ATOM 307 CB GLU A 34 33.315 -7.532 16.395 1.00 21.94 C ATOM 308 CG GLU A 34 31.911 -7.745 15.850 1.00 31.30 C ATOM 309 CD GLU A 34 31.852 -8.841 14.803 1.00 41.38 C ATOM 310 OE1 GLU A 34 32.594 -8.743 13.799 1.00 42.85 O ATOM 311 OE2 GLU A 34 31.067 -9.797 14.989 1.00 41.38 O ATOM 312 H GLU A 34 33.073 -5.116 15.632 1.00 0.00 H ATOM 313 N GLU A 35 35.070 -7.370 18.846 1.00 31.14 N ATOM 314 CA GLU A 35 36.344 -7.482 19.548 1.00 25.24 C ATOM 315 C GLU A 35 37.500 -7.382 18.563 1.00 27.69 C ATOM 316 O GLU A 35 37.458 -7.979 17.480 1.00 28.64 O ATOM 317 CB GLU A 35 36.400 -8.817 20.307 1.00 35.46 C ATOM 318 CG GLU A 35 35.151 -9.152 21.141 1.00 79.05 C ATOM 319 CD GLU A 35 35.055 -8.339 22.428 1.00 54.13 C ATOM 320 OE1 GLU A 35 35.712 -7.278 22.520 1.00 42.09 O ATOM 321 OE2 GLU A 35 34.321 -8.760 23.348 1.00 48.21 O ATOM 322 H GLU A 35 34.332 -8.085 19.005 1.00 0.00 H ATOM 323 N MET A 36 38.530 -6.635 18.965 1.00 37.77 N ATOM 324 CA MET A 36 39.647 -6.358 18.068 1.00 39.40 C ATOM 325 C MET A 36 40.783 -5.759 18.881 1.00 45.63 C ATOM 326 O MET A 36 40.570 -5.253 19.985 1.00 35.99 O ATOM 327 CB MET A 36 39.247 -5.392 16.937 1.00 42.49 C ATOM 328 CG MET A 36 38.733 -4.059 17.460 1.00 58.51 C ATOM 329 SD MET A 36 38.306 -2.854 16.184 1.00 54.40 S ATOM 330 CE MET A 36 39.621 -3.100 15.017 1.00 34.22 C ATOM 331 H MET A 36 38.537 -6.246 19.929 1.00 0.00 H ATOM 332 N ASN A 37 41.989 -5.804 18.313 1.00 44.83 N ATOM 333 CA ASN A 37 43.168 -5.181 18.906 1.00 43.21 C ATOM 334 C ASN A 37 43.354 -3.813 18.252 1.00 42.04 C ATOM 335 O ASN A 37 43.749 -3.724 17.087 1.00 46.02 O ATOM 336 CB ASN A 37 44.400 -6.063 18.720 1.00 53.39 C ATOM 337 H ASN A 37 42.094 -6.305 17.408 1.00 0.00 H ATOM 338 N LEU A 38 43.050 -2.753 18.993 1.00 38.84 N ATOM 339 CA LEU A 38 43.217 -1.389 18.518 1.00 44.30 C ATOM 340 C LEU A 38 44.332 -0.709 19.296 1.00 38.17 C ATOM 341 O LEU A 38 44.324 -0.750 20.534 1.00 43.90 O ATOM 342 CB LEU A 38 41.914 -0.597 18.682 1.00 52.09 C ATOM 343 CG LEU A 38 41.156 -0.205 17.418 1.00 44.59 C ATOM 344 CD1 LEU A 38 39.908 0.619 17.772 1.00 33.37 C ATOM 345 CD2 LEU A 38 42.033 0.566 16.449 1.00 33.78 C ATOM 346 H LEU A 38 42.677 -2.905 19.952 1.00 0.00 H ATOM 347 N PRO A 39 45.307 -0.089 18.632 1.00 46.67 N ATOM 348 CA PRO A 39 46.366 0.603 19.379 1.00 51.86 C ATOM 349 C PRO A 39 45.897 1.966 19.870 1.00 52.51 C ATOM 350 O PRO A 39 45.272 2.734 19.135 1.00 53.10 O ATOM 351 CB PRO A 39 47.498 0.733 18.351 1.00 52.34 C ATOM 352 CG PRO A 39 46.794 0.797 17.036 1.00 43.03 C ATOM 353 CD PRO A 39 45.519 -0.016 17.170 1.00 42.05 C ATOM 354 N GLY A 40 46.205 2.261 21.129 1.00 48.84 N ATOM 355 CA GLY A 40 45.815 3.509 21.761 1.00 53.24 C ATOM 356 C GLY A 40 45.129 3.222 23.089 1.00 57.82 C ATOM 357 O GLY A 40 44.568 2.141 23.330 1.00 57.91 O ATOM 358 H GLY A 40 46.748 1.569 21.684 1.00 0.00 H ATOM 359 N ARG A 41 45.189 4.204 23.977 1.00 53.57 N ATOM 360 CA ARG A 41 44.539 4.082 25.273 1.00 54.00 C ATOM 361 C ARG A 41 43.023 4.089 25.101 1.00 50.97 C ATOM 362 O ARG A 41 42.490 4.634 24.128 1.00 37.68 O ATOM 363 CB ARG A 41 44.964 5.211 26.213 1.00 59.46 C ATOM 364 H ARG A 41 45.708 5.074 23.744 1.00 0.00 H ATOM 365 N TRP A 42 42.327 3.462 26.049 1.00 47.38 N ATOM 366 CA TRP A 42 40.875 3.380 26.003 1.00 47.41 C ATOM 367 C TRP A 42 40.304 3.553 27.402 1.00 53.91 C ATOM 368 O TRP A 42 41.022 3.486 28.403 1.00 51.61 O ATOM 369 CB TRP A 42 40.406 2.047 25.404 1.00 47.88 C ATOM 370 CG TRP A 42 41.051 0.826 25.999 1.00 35.97 C ATOM 371 CD1 TRP A 42 42.173 0.191 25.547 1.00 55.15 C ATOM 372 CD2 TRP A 42 40.604 0.084 27.137 1.00 37.57 C ATOM 373 NE1 TRP A 42 42.454 -0.898 26.336 1.00 45.67 N ATOM 374 CE2 TRP A 42 41.505 -0.985 27.321 1.00 46.49 C ATOM 375 CE3 TRP A 42 39.532 0.220 28.025 1.00 40.49 C ATOM 376 CZ2 TRP A 42 41.368 -1.907 28.353 1.00 46.62 C ATOM 377 CZ3 TRP A 42 39.394 -0.706 29.046 1.00 50.60 C ATOM 378 CH2 TRP A 42 40.308 -1.752 29.203 1.00 46.82 C ATOM 379 HE1 TRP A 42 43.255 -1.549 26.207 1.00 0.00 H ATOM 380 H TRP A 42 42.835 3.020 26.842 1.00 0.00 H ATOM 381 N LYS A 43 38.990 3.779 27.460 1.00 39.61 N ATOM 382 CA LYS A 43 38.262 3.932 28.709 1.00 38.06 C ATOM 383 C LYS A 43 37.027 3.041 28.693 1.00 38.65 C ATOM 384 O LYS A 43 36.357 2.921 27.661 1.00 30.78 O ATOM 385 CB LYS A 43 37.849 5.398 28.927 1.00 38.15 C ATOM 386 H LYS A 43 38.461 3.849 26.568 1.00 0.00 H ATOM 387 N PRO A 44 36.706 2.387 29.807 1.00 45.41 N ATOM 388 CA PRO A 44 35.477 1.586 29.842 1.00 38.58 C ATOM 389 C PRO A 44 34.250 2.456 29.623 1.00 48.39 C ATOM 390 O PRO A 44 34.247 3.655 29.913 1.00 46.54 O ATOM 391 CB PRO A 44 35.481 0.970 31.247 1.00 40.87 C ATOM 392 CG PRO A 44 36.903 1.059 31.708 1.00 38.13 C ATOM 393 CD PRO A 44 37.474 2.289 31.063 1.00 38.37 C ATOM 394 N LYS A 45 33.195 1.831 29.107 1.00 47.11 N ATOM 395 CA LYS A 45 31.941 2.529 28.863 1.00 32.86 C ATOM 396 C LYS A 45 30.851 1.492 28.648 1.00 28.44 C ATOM 397 O LYS A 45 31.127 0.325 28.363 1.00 31.56 O ATOM 398 CB LYS A 45 32.051 3.470 27.659 1.00 43.00 C ATOM 399 H LYS A 45 33.268 0.820 28.873 1.00 0.00 H ATOM 400 N MET A 46 29.608 1.940 28.793 1.00 28.50 N ATOM 401 CA MET A 46 28.433 1.110 28.585 1.00 31.43 C ATOM 402 C MET A 46 27.595 1.723 27.473 1.00 38.11 C ATOM 403 O MET A 46 27.394 2.944 27.446 1.00 42.13 O ATOM 404 CB MET A 46 27.608 1.002 29.867 1.00 33.33 C ATOM 405 CG MET A 46 28.400 0.512 31.067 1.00 40.68 C ATOM 406 SD MET A 46 28.501 -1.286 31.131 1.00 50.20 S ATOM 407 CE MET A 46 26.821 -1.682 31.635 1.00 46.01 C ATOM 408 H MET A 46 29.469 2.933 29.069 1.00 0.00 H ATOM 409 N ILE A 47 27.131 0.879 26.546 1.00 24.36 N ATOM 410 CA ILE A 47 26.142 1.284 25.555 1.00 28.65 C ATOM 411 C ILE A 47 24.979 0.308 25.631 1.00 30.98 C ATOM 412 O ILE A 47 25.163 -0.881 25.903 1.00 27.80 O ATOM 413 CB ILE A 47 26.697 1.328 24.114 1.00 36.03 C ATOM 414 CG1 ILE A 47 27.666 0.172 23.876 1.00 29.15 C ATOM 415 CG2 ILE A 47 27.337 2.673 23.829 1.00 41.85 C ATOM 416 CD1 ILE A 47 27.864 -0.127 22.423 1.00 32.47 C ATOM 417 H ILE A 47 27.487 -0.098 26.531 1.00 0.00 H ATOM 418 N GLY A 48 23.777 0.813 25.371 1.00 25.28 N ATOM 419 CA GLY A 48 22.579 -0.002 25.343 1.00 28.75 C ATOM 420 C GLY A 48 22.030 -0.095 23.932 1.00 28.08 C ATOM 421 O GLY A 48 22.124 0.854 23.148 1.00 35.13 O ATOM 422 H GLY A 48 23.693 1.832 25.180 1.00 0.00 H ATOM 423 N GLY A 49 21.453 -1.246 23.614 1.00 24.99 N ATOM 424 CA GLY A 49 20.807 -1.444 22.333 1.00 27.13 C ATOM 425 C GLY A 49 19.374 -1.903 22.504 1.00 26.59 C ATOM 426 O GLY A 49 18.725 -1.575 23.498 1.00 24.39 O ATOM 427 H GLY A 49 21.465 -2.026 24.302 1.00 0.00 H ATOM 428 N ILE A 50 18.872 -2.682 21.547 1.00 22.38 N ATOM 429 CA ILE A 50 17.495 -3.138 21.633 1.00 25.04 C ATOM 430 C ILE A 50 17.333 -4.155 22.753 1.00 25.26 C ATOM 431 O ILE A 50 16.243 -4.282 23.328 1.00 30.02 O ATOM 432 CB ILE A 50 17.043 -3.711 20.277 1.00 25.20 C ATOM 433 CG1 ILE A 50 15.524 -3.564 20.136 1.00 24.26 C ATOM 434 CG2 ILE A 50 17.473 -5.167 20.149 1.00 19.84 C ATOM 435 CD1 ILE A 50 14.996 -3.937 18.783 1.00 30.11 C ATOM 436 H ILE A 50 19.465 -2.963 20.740 1.00 0.00 H ATOM 437 N GLY A 51 18.404 -4.880 23.097 1.00 22.19 N ATOM 438 CA GLY A 51 18.291 -5.979 24.038 1.00 28.08 C ATOM 439 C GLY A 51 18.885 -5.715 25.403 1.00 30.26 C ATOM 440 O GLY A 51 18.845 -6.580 26.278 1.00 28.17 O ATOM 441 H GLY A 51 19.331 -4.652 22.684 1.00 0.00 H ATOM 442 N GLY A 52 19.432 -4.522 25.603 1.00 32.19 N ATOM 443 CA GLY A 52 20.033 -4.185 26.877 1.00 25.99 C ATOM 444 C GLY A 52 21.383 -3.526 26.717 1.00 31.55 C ATOM 445 O GLY A 52 21.654 -2.937 25.670 1.00 23.80 O ATOM 446 H GLY A 52 19.429 -3.821 24.835 1.00 0.00 H ATOM 447 N PHE A 53 22.247 -3.639 27.724 1.00 29.42 N ATOM 448 CA PHE A 53 23.501 -2.901 27.755 1.00 26.71 C ATOM 449 C PHE A 53 24.689 -3.849 27.769 1.00 28.44 C ATOM 450 O PHE A 53 24.596 -4.984 28.243 1.00 33.37 O ATOM 451 CB PHE A 53 23.565 -1.982 28.977 1.00 25.29 C ATOM 452 CG PHE A 53 22.644 -0.815 28.896 1.00 27.22 C ATOM 453 CD1 PHE A 53 21.268 -0.985 29.012 1.00 33.36 C ATOM 454 CD2 PHE A 53 23.145 0.464 28.705 1.00 34.24 C ATOM 455 CE1 PHE A 53 20.413 0.095 28.930 1.00 32.85 C ATOM 456 CE2 PHE A 53 22.287 1.552 28.626 1.00 29.73 C ATOM 457 CZ PHE A 53 20.927 1.369 28.744 1.00 36.55 C ATOM 458 H PHE A 53 22.018 -4.275 28.514 1.00 0.00 H ATOM 459 N ILE A 54 25.813 -3.366 27.237 1.00 27.35 N ATOM 460 CA ILE A 54 27.032 -4.154 27.140 1.00 32.23 C ATOM 461 C ILE A 54 28.216 -3.299 27.563 1.00 28.23 C ATOM 462 O ILE A 54 28.130 -2.074 27.637 1.00 30.50 O ATOM 463 CB ILE A 54 27.250 -4.701 25.714 1.00 29.50 C ATOM 464 CG1 ILE A 54 27.447 -3.561 24.718 1.00 19.94 C ATOM 465 CG2 ILE A 54 26.066 -5.562 25.284 1.00 27.04 C ATOM 466 CD1 ILE A 54 27.900 -4.026 23.336 1.00 21.26 C ATOM 467 H ILE A 54 25.818 -2.390 26.878 1.00 0.00 H ATOM 468 N LYS A 55 29.337 -3.970 27.818 1.00 26.73 N ATOM 469 CA LYS A 55 30.592 -3.322 28.161 1.00 27.76 C ATOM 470 C LYS A 55 31.404 -3.126 26.890 1.00 30.48 C ATOM 471 O LYS A 55 31.537 -4.057 26.088 1.00 33.98 O ATOM 472 CB LYS A 55 31.381 -4.176 29.158 1.00 32.59 C ATOM 473 CG LYS A 55 31.266 -3.746 30.610 1.00 39.45 C ATOM 474 CD LYS A 55 32.064 -4.677 31.523 1.00 48.23 C ATOM 475 CE LYS A 55 31.157 -5.651 32.271 1.00 63.71 C ATOM 476 NZ LYS A 55 31.649 -5.932 33.659 1.00 68.98 N ATOM 477 HZ1 LYS A 55 32.601 -6.349 33.610 1.00 0.00 H ATOM 478 HZ2 LYS A 55 31.685 -5.044 34.199 1.00 0.00 H ATOM 479 HZ3 LYS A 55 31.001 -6.598 34.127 1.00 0.00 H ATOM 480 H LYS A 55 29.314 -5.009 27.769 1.00 0.00 H ATOM 481 N VAL A 56 31.948 -1.921 26.706 1.00 25.79 N ATOM 482 CA VAL A 56 32.747 -1.624 25.528 1.00 21.88 C ATOM 483 C VAL A 56 34.027 -0.902 25.929 1.00 28.87 C ATOM 484 O VAL A 56 34.146 -0.338 27.015 1.00 30.99 O ATOM 485 CB VAL A 56 31.972 -0.780 24.484 1.00 30.72 C ATOM 486 CG1 VAL A 56 30.744 -1.536 23.970 1.00 23.02 C ATOM 487 CG2 VAL A 56 31.573 0.573 25.075 1.00 35.00 C ATOM 488 H VAL A 56 31.797 -1.180 27.420 1.00 0.00 H ATOM 489 N ARG A 57 34.990 -0.934 25.020 1.00 29.69 N ATOM 490 CA ARG A 57 36.225 -0.172 25.128 1.00 24.72 C ATOM 491 C ARG A 57 36.102 1.052 24.229 1.00 26.86 C ATOM 492 O ARG A 57 35.904 0.913 23.018 1.00 28.33 O ATOM 493 CB ARG A 57 37.424 -1.031 24.719 1.00 37.79 C ATOM 494 CG ARG A 57 37.976 -1.912 25.836 1.00 42.43 C ATOM 495 CD ARG A 57 38.595 -3.210 25.299 1.00 42.58 C ATOM 496 NE ARG A 57 39.317 -3.006 24.046 1.00 51.82 N ATOM 497 CZ ARG A 57 39.521 -3.952 23.130 1.00 64.98 C ATOM 498 NH1 ARG A 57 40.195 -3.667 22.020 1.00 56.34 N ATOM 499 NH2 ARG A 57 39.056 -5.181 23.318 1.00 47.27 N ATOM 500 HE ARG A 57 39.698 -2.057 23.856 1.00 0.00 H ATOM 501 HH12 ARG A 57 40.355 -4.405 21.305 1.00 0.00 H ATOM 502 HH11 ARG A 57 40.563 -2.706 21.867 1.00 0.00 H ATOM 503 HH22 ARG A 57 39.219 -5.914 22.599 1.00 0.00 H ATOM 504 HH21 ARG A 57 38.529 -5.411 24.185 1.00 0.00 H ATOM 505 H ARG A 57 34.856 -1.537 24.183 1.00 0.00 H ATOM 506 N GLN A 58 36.223 2.243 24.817 1.00 30.22 N ATOM 507 CA GLN A 58 36.069 3.483 24.069 1.00 27.85 C ATOM 508 C GLN A 58 37.426 3.995 23.601 1.00 37.15 C ATOM 509 O GLN A 58 38.301 4.289 24.425 1.00 34.44 O ATOM 510 CB GLN A 58 35.377 4.538 24.930 1.00 28.50 C ATOM 511 CG GLN A 58 35.098 5.834 24.201 1.00 28.18 C ATOM 512 CD GLN A 58 34.151 6.750 24.967 1.00 32.33 C ATOM 513 OE1 GLN A 58 33.458 6.314 25.878 1.00 36.91 O ATOM 514 NE2 GLN A 58 34.123 8.024 24.595 1.00 28.67 N ATOM 515 HE22 GLN A 58 34.729 8.352 23.816 1.00 0.00 H ATOM 516 HE21 GLN A 58 33.495 8.695 25.083 1.00 0.00 H ATOM 517 H GLN A 58 36.432 2.287 25.835 1.00 0.00 H ATOM 518 N TYR A 59 37.590 4.116 22.283 1.00 31.70 N ATOM 519 CA TYR A 59 38.786 4.686 21.671 1.00 35.74 C ATOM 520 C TYR A 59 38.411 6.007 21.010 1.00 33.30 C ATOM 521 O TYR A 59 37.560 6.032 20.116 1.00 27.59 O ATOM 522 CB TYR A 59 39.388 3.743 20.624 1.00 27.88 C ATOM 523 CG TYR A 59 39.875 2.421 21.156 1.00 29.42 C ATOM 524 CD1 TYR A 59 39.007 1.344 21.294 1.00 35.33 C ATOM 525 CD2 TYR A 59 41.205 2.244 21.512 1.00 37.84 C ATOM 526 CE1 TYR A 59 39.448 0.131 21.781 1.00 35.02 C ATOM 527 CE2 TYR A 59 41.659 1.033 22.004 1.00 39.61 C ATOM 528 CZ TYR A 59 40.776 -0.023 22.134 1.00 50.14 C ATOM 529 OH TYR A 59 41.216 -1.236 22.620 1.00 31.85 O ATOM 530 HH TYR A 59 40.459 -1.874 22.647 1.00 0.00 H ATOM 531 H TYR A 59 36.826 3.787 21.659 1.00 0.00 H ATOM 532 N ASP A 60 39.059 7.091 21.424 1.00 33.72 N ATOM 533 CA ASP A 60 38.805 8.406 20.855 1.00 25.56 C ATOM 534 C ASP A 60 39.819 8.725 19.760 1.00 33.35 C ATOM 535 O ASP A 60 40.898 8.136 19.689 1.00 28.14 O ATOM 536 CB ASP A 60 38.852 9.488 21.938 1.00 32.28 C ATOM 537 CG ASP A 60 37.650 9.443 22.862 1.00 36.56 C ATOM 538 OD1 ASP A 60 36.582 8.967 22.424 1.00 40.72 O ATOM 539 OD2 ASP A 60 37.771 9.883 24.027 1.00 37.27 O ATOM 540 H ASP A 60 39.769 6.997 22.178 1.00 0.00 H ATOM 541 N GLN A 61 39.440 9.669 18.895 1.00 31.54 N ATOM 542 CA GLN A 61 40.277 10.148 17.800 1.00 35.37 C ATOM 543 C GLN A 61 40.943 8.996 17.054 1.00 31.29 C ATOM 544 O GLN A 61 42.160 8.961 16.860 1.00 39.01 O ATOM 545 CB GLN A 61 41.316 11.144 18.318 1.00 46.87 C ATOM 546 CG GLN A 61 40.906 12.602 18.146 1.00 43.70 C ATOM 547 CD GLN A 61 41.808 13.558 18.901 1.00 45.81 C ATOM 548 OE1 GLN A 61 41.560 13.876 20.062 1.00 52.41 O ATOM 549 NE2 GLN A 61 42.859 14.027 18.239 1.00 28.36 N ATOM 550 HE22 GLN A 61 43.030 13.730 17.257 1.00 0.00 H ATOM 551 HE21 GLN A 61 43.511 14.691 18.702 1.00 0.00 H ATOM 552 H GLN A 61 38.494 10.087 19.008 1.00 0.00 H ATOM 553 N ILE A 62 40.118 8.054 16.606 1.00 31.16 N ATOM 554 CA ILE A 62 40.579 6.892 15.861 1.00 28.50 C ATOM 555 C ILE A 62 40.336 7.144 14.384 1.00 26.14 C ATOM 556 O ILE A 62 39.243 7.569 13.995 1.00 28.58 O ATOM 557 CB ILE A 62 39.863 5.611 16.326 1.00 30.52 C ATOM 558 CG1 ILE A 62 40.506 5.074 17.606 1.00 29.59 C ATOM 559 CG2 ILE A 62 39.885 4.565 15.226 1.00 37.84 C ATOM 560 CD1 ILE A 62 41.888 4.484 17.406 1.00 40.56 C ATOM 561 H ILE A 62 39.100 8.152 16.796 1.00 0.00 H ATOM 562 N LEU A 63 41.342 6.857 13.559 1.00 24.85 N ATOM 563 CA LEU A 63 41.201 7.013 12.117 1.00 22.21 C ATOM 564 C LEU A 63 40.332 5.901 11.541 1.00 30.68 C ATOM 565 O LEU A 63 40.562 4.716 11.805 1.00 29.67 O ATOM 566 CB LEU A 63 42.571 6.997 11.450 1.00 32.25 C ATOM 567 CG LEU A 63 43.264 8.344 11.254 1.00 54.12 C ATOM 568 CD1 LEU A 63 43.693 8.935 12.590 1.00 41.19 C ATOM 569 CD2 LEU A 63 44.465 8.189 10.320 1.00 44.11 C ATOM 570 H LEU A 63 42.243 6.516 13.951 1.00 0.00 H ATOM 571 N ILE A 64 39.339 6.287 10.743 1.00 32.57 N ATOM 572 CA ILE A 64 38.477 5.345 10.040 1.00 33.16 C ATOM 573 C ILE A 64 38.327 5.810 8.600 1.00 28.81 C ATOM 574 O ILE A 64 38.084 6.994 8.349 1.00 35.86 O ATOM 575 CB ILE A 64 37.088 5.231 10.693 1.00 42.80 C ATOM 576 CG1 ILE A 64 37.203 5.162 12.206 1.00 37.04 C ATOM 577 CG2 ILE A 64 36.348 4.013 10.166 1.00 46.82 C ATOM 578 CD1 ILE A 64 35.856 5.201 12.905 1.00 51.24 C ATOM 579 H ILE A 64 39.171 7.305 10.616 1.00 0.00 H ATOM 580 N GLU A 65 38.460 4.884 7.659 1.00 28.75 N ATOM 581 CA GLU A 65 38.208 5.150 6.250 1.00 34.03 C ATOM 582 C GLU A 65 37.040 4.283 5.799 1.00 40.70 C ATOM 583 O GLU A 65 37.013 3.079 6.076 1.00 39.66 O ATOM 584 CB GLU A 65 39.445 4.867 5.400 1.00 39.25 C ATOM 585 CG GLU A 65 39.340 5.377 3.968 1.00 43.11 C ATOM 586 CD GLU A 65 40.680 5.401 3.259 1.00 48.02 C ATOM 587 OE1 GLU A 65 40.719 5.795 2.075 1.00 49.50 O ATOM 588 OE2 GLU A 65 41.693 5.029 3.889 1.00 44.79 O ATOM 589 H GLU A 65 38.757 3.928 7.940 1.00 0.00 H ATOM 590 N ILE A 66 36.078 4.896 5.114 1.00 31.54 N ATOM 591 CA ILE A 66 34.870 4.221 4.653 1.00 31.87 C ATOM 592 C ILE A 66 34.700 4.550 3.179 1.00 34.57 C ATOM 593 O ILE A 66 34.387 5.693 2.828 1.00 41.27 O ATOM 594 CB ILE A 66 33.626 4.641 5.451 1.00 33.18 C ATOM 595 CG1 ILE A 66 33.765 4.196 6.906 1.00 32.56 C ATOM 596 CG2 ILE A 66 32.367 4.062 4.830 1.00 42.31 C ATOM 597 CD1 ILE A 66 32.687 4.712 7.825 1.00 33.30 C ATOM 598 H ILE A 66 36.193 5.906 4.897 1.00 0.00 H ATOM 599 N CYS A 67 34.897 3.555 2.316 1.00 53.32 N ATOM 600 CA CYS A 67 34.715 3.730 0.875 1.00 56.87 C ATOM 601 C CYS A 67 35.477 4.954 0.369 1.00 55.26 C ATOM 602 O CYS A 67 34.994 5.720 -0.468 1.00 55.48 O ATOM 603 CB CYS A 67 33.228 3.829 0.520 1.00 54.92 C ATOM 604 SG CYS A 67 32.350 2.247 0.543 1.00 72.23 S ATOM 605 H CYS A 67 35.189 2.625 2.678 1.00 0.00 H ATOM 606 N GLY A 68 36.685 5.140 0.886 1.00 53.39 N ATOM 607 CA GLY A 68 37.525 6.236 0.463 1.00 48.19 C ATOM 608 C GLY A 68 37.291 7.547 1.172 1.00 50.69 C ATOM 609 O GLY A 68 37.861 8.565 0.758 1.00 49.58 O ATOM 610 H GLY A 68 37.034 4.482 1.612 1.00 0.00 H ATOM 611 N HIS A 69 36.470 7.563 2.217 1.00 52.32 N ATOM 612 CA HIS A 69 36.207 8.766 2.998 1.00 34.06 C ATOM 613 C HIS A 69 36.822 8.598 4.379 1.00 29.94 C ATOM 614 O HIS A 69 36.561 7.604 5.064 1.00 34.41 O ATOM 615 CB HIS A 69 34.707 9.036 3.113 1.00 37.57 C ATOM 616 CG HIS A 69 34.055 9.373 1.809 1.00 39.27 C ATOM 617 ND1 HIS A 69 33.516 10.614 1.550 1.00 45.87 N ATOM 618 CD2 HIS A 69 33.846 8.632 0.696 1.00 45.56 C ATOM 619 CE1 HIS A 69 33.008 10.625 0.331 1.00 51.18 C ATOM 620 NE2 HIS A 69 33.194 9.434 -0.209 1.00 48.68 N ATOM 621 H HIS A 69 35.994 6.679 2.490 1.00 0.00 H ATOM 622 N LYS A 70 37.636 9.565 4.784 1.00 31.66 N ATOM 623 CA LYS A 70 38.358 9.482 6.044 1.00 31.93 C ATOM 624 C LYS A 70 37.542 10.101 7.173 1.00 34.30 C ATOM 625 O LYS A 70 36.873 11.122 6.993 1.00 33.26 O ATOM 626 CB LYS A 70 39.718 10.179 5.933 1.00 28.53 C ATOM 627 H LYS A 70 37.761 10.405 4.184 1.00 0.00 H ATOM 628 N ALA A 71 37.591 9.461 8.338 1.00 25.94 N ATOM 629 CA ALA A 71 36.970 9.980 9.545 1.00 26.91 C ATOM 630 C ALA A 71 37.946 9.836 10.706 1.00 22.33 C ATOM 631 O ALA A 71 38.864 9.014 10.676 1.00 24.30 O ATOM 632 CB ALA A 71 35.662 9.254 9.870 1.00 22.33 C ATOM 633 H ALA A 71 38.094 8.552 8.387 1.00 0.00 H ATOM 634 N ILE A 72 37.751 10.670 11.718 1.00 23.08 N ATOM 635 CA ILE A 72 38.532 10.617 12.945 1.00 21.57 C ATOM 636 C ILE A 72 37.577 10.841 14.108 1.00 23.55 C ATOM 637 O ILE A 72 37.202 11.980 14.409 1.00 32.31 O ATOM 638 CB ILE A 72 39.660 11.665 12.960 1.00 22.17 C ATOM 639 CG1 ILE A 72 40.591 11.461 11.767 1.00 26.74 C ATOM 640 CG2 ILE A 72 40.428 11.583 14.271 1.00 24.89 C ATOM 641 CD1 ILE A 72 41.859 12.319 11.822 1.00 28.24 C ATOM 642 H ILE A 72 37.008 11.393 11.631 1.00 0.00 H ATOM 643 N GLY A 73 37.181 9.768 14.774 1.00 24.89 N ATOM 644 CA GLY A 73 36.207 9.901 15.830 1.00 23.96 C ATOM 645 C GLY A 73 36.261 8.741 16.794 1.00 29.28 C ATOM 646 O GLY A 73 37.161 7.902 16.734 1.00 33.77 O ATOM 647 H GLY A 73 37.570 8.833 14.537 1.00 0.00 H ATOM 648 N THR A 74 35.274 8.703 17.689 1.00 24.17 N ATOM 649 CA THR A 74 35.229 7.698 18.735 1.00 22.92 C ATOM 650 C THR A 74 34.754 6.366 18.175 1.00 29.39 C ATOM 651 O THR A 74 33.850 6.309 17.334 1.00 21.76 O ATOM 652 CB THR A 74 34.304 8.147 19.862 1.00 25.94 C ATOM 653 OG1 THR A 74 34.702 9.446 20.315 1.00 28.49 O ATOM 654 CG2 THR A 74 34.361 7.169 21.019 1.00 37.00 C ATOM 655 HG1 THR A 74 35.634 9.407 20.647 1.00 0.00 H ATOM 656 H THR A 74 34.516 9.413 17.636 1.00 0.00 H ATOM 657 N VAL A 75 35.382 5.293 18.643 1.00 26.67 N ATOM 658 CA VAL A 75 35.046 3.934 18.240 1.00 25.99 C ATOM 659 C VAL A 75 34.894 3.101 19.502 1.00 28.95 C ATOM 660 O VAL A 75 35.780 3.097 20.363 1.00 28.58 O ATOM 661 CB VAL A 75 36.119 3.329 17.318 1.00 27.12 C ATOM 662 CG1 VAL A 75 35.771 1.898 16.961 1.00 23.39 C ATOM 663 CG2 VAL A 75 36.263 4.173 16.065 1.00 29.80 C ATOM 664 H VAL A 75 36.151 5.430 19.330 1.00 0.00 H ATOM 665 N LEU A 76 33.766 2.422 19.626 1.00 21.24 N ATOM 666 CA LEU A 76 33.504 1.531 20.744 1.00 21.00 C ATOM 667 C LEU A 76 33.758 0.100 20.292 1.00 22.71 C ATOM 668 O LEU A 76 33.368 -0.292 19.189 1.00 21.06 O ATOM 669 CB LEU A 76 32.071 1.676 21.258 1.00 21.65 C ATOM 670 CG LEU A 76 31.619 3.111 21.504 1.00 22.15 C ATOM 671 CD1 LEU A 76 30.133 3.181 21.867 1.00 28.67 C ATOM 672 CD2 LEU A 76 32.446 3.765 22.599 1.00 25.73 C ATOM 673 H LEU A 76 33.036 2.530 18.893 1.00 0.00 H ATOM 674 N VAL A 77 34.433 -0.676 21.137 1.00 20.39 N ATOM 675 CA VAL A 77 34.829 -2.048 20.827 1.00 18.92 C ATOM 676 C VAL A 77 34.270 -2.955 21.910 1.00 21.51 C ATOM 677 O VAL A 77 34.612 -2.812 23.090 1.00 28.31 O ATOM 678 CB VAL A 77 36.356 -2.181 20.727 1.00 27.95 C ATOM 679 CG1 VAL A 77 36.742 -3.599 20.348 1.00 28.12 C ATOM 680 CG2 VAL A 77 36.910 -1.183 19.725 1.00 30.31 C ATOM 681 H VAL A 77 34.692 -0.286 22.066 1.00 0.00 H ATOM 682 N GLY A 78 33.433 -3.901 21.506 1.00 28.35 N ATOM 683 CA GLY A 78 32.797 -4.794 22.439 1.00 23.16 C ATOM 684 C GLY A 78 31.947 -5.835 21.754 1.00 26.53 C ATOM 685 O GLY A 78 31.982 -5.989 20.530 1.00 22.32 O ATOM 686 H GLY A 78 33.231 -4.000 20.491 1.00 0.00 H ATOM 687 N PRO A 79 31.157 -6.577 22.543 1.00 35.23 N ATOM 688 CA PRO A 79 30.386 -7.713 22.001 1.00 27.73 C ATOM 689 C PRO A 79 29.127 -7.282 21.253 1.00 24.03 C ATOM 690 O PRO A 79 28.003 -7.647 21.607 1.00 30.07 O ATOM 691 CB PRO A 79 30.072 -8.525 23.265 1.00 36.05 C ATOM 692 CG PRO A 79 29.973 -7.492 24.348 1.00 38.24 C ATOM 693 CD PRO A 79 31.000 -6.439 24.005 1.00 31.33 C ATOM 694 N THR A 80 29.315 -6.497 20.179 1.00 28.70 N ATOM 695 CA THR A 80 28.200 -6.185 19.295 1.00 20.02 C ATOM 696 C THR A 80 27.995 -7.324 18.299 1.00 22.65 C ATOM 697 O THR A 80 28.965 -7.923 17.836 1.00 32.13 O ATOM 698 CB THR A 80 28.450 -4.870 18.549 1.00 21.72 C ATOM 699 OG1 THR A 80 27.399 -4.640 17.609 1.00 23.20 O ATOM 700 CG2 THR A 80 29.777 -4.887 17.806 1.00 20.78 C ATOM 701 HG1 THR A 80 27.370 -5.386 16.959 1.00 0.00 H ATOM 702 H THR A 80 30.260 -6.111 19.978 1.00 0.00 H ATOM 703 N PRO A 81 26.750 -7.650 17.953 1.00 25.93 N ATOM 704 CA PRO A 81 26.537 -8.705 16.948 1.00 26.03 C ATOM 705 C PRO A 81 27.107 -8.355 15.594 1.00 28.48 C ATOM 706 O PRO A 81 27.393 -9.269 14.814 1.00 22.43 O ATOM 707 CB PRO A 81 25.009 -8.846 16.885 1.00 31.12 C ATOM 708 CG PRO A 81 24.483 -7.540 17.423 1.00 26.16 C ATOM 709 CD PRO A 81 25.480 -7.086 18.453 1.00 21.75 C ATOM 710 N VAL A 82 27.282 -7.066 15.296 1.00 21.12 N ATOM 711 CA VAL A 82 27.675 -6.602 13.971 1.00 25.45 C ATOM 712 C VAL A 82 28.504 -5.334 14.135 1.00 25.37 C ATOM 713 O VAL A 82 28.209 -4.497 14.994 1.00 21.53 O ATOM 714 CB VAL A 82 26.441 -6.321 13.080 1.00 30.33 C ATOM 715 CG1 VAL A 82 26.870 -5.806 11.712 1.00 36.04 C ATOM 716 CG2 VAL A 82 25.572 -7.568 12.950 1.00 47.98 C ATOM 717 H VAL A 82 27.131 -6.359 16.044 1.00 0.00 H ATOM 718 N ASN A 83 29.531 -5.186 13.298 1.00 18.11 N ATOM 719 CA ASN A 83 30.233 -3.911 13.182 1.00 23.36 C ATOM 720 C ASN A 83 29.281 -2.878 12.594 1.00 19.57 C ATOM 721 O ASN A 83 28.835 -3.015 11.451 1.00 20.80 O ATOM 722 CB ASN A 83 31.469 -4.049 12.297 1.00 23.55 C ATOM 723 CG ASN A 83 32.456 -5.088 12.815 1.00 27.48 C ATOM 724 OD1 ASN A 83 32.647 -5.252 14.023 1.00 22.02 O ATOM 725 ND2 ASN A 83 33.100 -5.782 11.895 1.00 28.22 N ATOM 726 HD22 ASN A 83 32.909 -5.612 10.887 1.00 0.00 H ATOM 727 HD21 ASN A 83 33.798 -6.499 12.178 1.00 0.00 H ATOM 728 H ASN A 83 29.837 -5.993 12.718 1.00 0.00 H ATOM 729 N ILE A 84 28.954 -1.853 13.367 1.00 19.09 N ATOM 730 CA ILE A 84 27.988 -0.849 12.943 1.00 19.65 C ATOM 731 C ILE A 84 28.665 0.508 12.885 1.00 17.05 C ATOM 732 O ILE A 84 29.431 0.868 13.784 1.00 20.06 O ATOM 733 CB ILE A 84 26.765 -0.800 13.881 1.00 22.80 C ATOM 734 CG1 ILE A 84 27.195 -0.521 15.320 1.00 18.18 C ATOM 735 CG2 ILE A 84 25.990 -2.112 13.793 1.00 19.96 C ATOM 736 CD1 ILE A 84 26.014 -0.204 16.238 1.00 22.98 C ATOM 737 H ILE A 84 29.399 -1.763 14.302 1.00 0.00 H ATOM 738 N ILE A 85 28.374 1.258 11.825 1.00 19.62 N ATOM 739 CA ILE A 85 28.890 2.607 11.637 1.00 19.21 C ATOM 740 C ILE A 85 27.777 3.580 12.014 1.00 25.05 C ATOM 741 O ILE A 85 26.788 3.732 11.285 1.00 16.42 O ATOM 742 CB ILE A 85 29.358 2.836 10.195 1.00 21.75 C ATOM 743 CG1 ILE A 85 30.410 1.804 9.798 1.00 26.28 C ATOM 744 CG2 ILE A 85 29.899 4.243 10.033 1.00 26.58 C ATOM 745 CD1 ILE A 85 31.621 1.787 10.694 1.00 23.80 C ATOM 746 H ILE A 85 27.748 0.862 11.095 1.00 0.00 H ATOM 747 N GLY A 86 27.942 4.252 13.150 1.00 17.23 N ATOM 748 CA GLY A 86 26.936 5.158 13.659 1.00 22.03 C ATOM 749 C GLY A 86 27.092 6.579 13.144 1.00 18.67 C ATOM 750 O GLY A 86 27.990 6.903 12.368 1.00 18.87 O ATOM 751 H GLY A 86 28.822 4.122 13.689 1.00 0.00 H ATOM 752 N ARG A 87 26.194 7.447 13.620 1.00 18.47 N ATOM 753 CA ARG A 87 26.087 8.793 13.073 1.00 20.80 C ATOM 754 C ARG A 87 27.320 9.635 13.377 1.00 18.42 C ATOM 755 O ARG A 87 27.625 10.572 12.632 1.00 22.04 O ATOM 756 CB ARG A 87 24.832 9.477 13.620 1.00 19.64 C ATOM 757 CG ARG A 87 23.535 8.910 13.058 1.00 21.89 C ATOM 758 CD ARG A 87 22.338 9.753 13.478 1.00 15.02 C ATOM 759 NE ARG A 87 22.115 9.708 14.913 1.00 14.13 N ATOM 760 CZ ARG A 87 22.434 10.685 15.760 1.00 20.60 C ATOM 761 NH1 ARG A 87 22.992 11.809 15.325 1.00 18.00 N ATOM 762 NH2 ARG A 87 22.186 10.539 17.052 1.00 20.20 N ATOM 763 HE ARG A 87 21.675 8.852 15.307 1.00 0.00 H ATOM 764 HH12 ARG A 87 23.236 12.563 15.998 1.00 0.00 H ATOM 765 HH11 ARG A 87 23.185 11.935 14.311 1.00 0.00 H ATOM 766 HH22 ARG A 87 22.433 11.299 17.718 1.00 0.00 H ATOM 767 HH21 ARG A 87 21.744 9.665 17.401 1.00 0.00 H ATOM 768 H ARG A 87 25.562 7.157 14.393 1.00 0.00 H ATOM 769 N ASN A 88 28.035 9.331 14.457 1.00 19.70 N ATOM 770 CA ASN A 88 29.242 10.085 14.771 1.00 22.21 C ATOM 771 C ASN A 88 30.262 9.983 13.645 1.00 21.15 C ATOM 772 O ASN A 88 30.996 10.944 13.383 1.00 26.51 O ATOM 773 CB ASN A 88 29.837 9.595 16.091 1.00 26.09 C ATOM 774 CG ASN A 88 30.487 8.224 15.973 1.00 24.20 C ATOM 775 OD1 ASN A 88 29.894 7.278 15.453 1.00 15.88 O ATOM 776 ND2 ASN A 88 31.717 8.119 16.457 1.00 21.19 N ATOM 777 HD22 ASN A 88 32.179 8.945 16.888 1.00 0.00 H ATOM 778 HD21 ASN A 88 32.220 7.210 16.406 1.00 0.00 H ATOM 779 H ASN A 88 27.732 8.554 15.078 1.00 0.00 H ATOM 780 N VAL A 89 30.313 8.843 12.965 1.00 16.82 N ATOM 781 CA VAL A 89 31.180 8.676 11.806 1.00 20.82 C ATOM 782 C VAL A 89 30.471 9.079 10.522 1.00 22.66 C ATOM 783 O VAL A 89 31.079 9.695 9.646 1.00 18.56 O ATOM 784 CB VAL A 89 31.684 7.218 11.729 1.00 22.40 C ATOM 785 CG1 VAL A 89 32.176 6.901 10.331 1.00 18.99 C ATOM 786 CG2 VAL A 89 32.778 6.979 12.751 1.00 23.42 C ATOM 787 H VAL A 89 29.717 8.047 13.269 1.00 0.00 H ATOM 788 N LEU A 90 29.185 8.737 10.390 1.00 25.12 N ATOM 789 CA LEU A 90 28.474 9.010 9.147 1.00 18.86 C ATOM 790 C LEU A 90 28.416 10.502 8.849 1.00 20.63 C ATOM 791 O LEU A 90 28.449 10.901 7.679 1.00 15.00 O ATOM 792 CB LEU A 90 27.061 8.425 9.209 1.00 24.38 C ATOM 793 CG LEU A 90 26.942 6.912 9.359 1.00 25.94 C ATOM 794 CD1 LEU A 90 25.528 6.542 9.794 1.00 23.58 C ATOM 795 CD2 LEU A 90 27.300 6.189 8.070 1.00 31.65 C ATOM 796 H LEU A 90 28.689 8.274 11.178 1.00 0.00 H ATOM 797 N THR A 91 28.320 11.342 9.882 1.00 21.74 N ATOM 798 CA THR A 91 28.329 12.780 9.640 1.00 25.26 C ATOM 799 C THR A 91 29.664 13.251 9.080 1.00 19.14 C ATOM 800 O THR A 91 29.694 14.167 8.256 1.00 28.30 O ATOM 801 CB THR A 91 28.012 13.546 10.924 1.00 24.63 C ATOM 802 OG1 THR A 91 28.909 13.140 11.956 1.00 21.93 O ATOM 803 CG2 THR A 91 26.575 13.281 11.375 1.00 25.00 C ATOM 804 HG1 THR A 91 28.806 12.169 12.117 1.00 0.00 H ATOM 805 H THR A 91 28.239 10.974 10.851 1.00 0.00 H ATOM 806 N GLN A 92 30.769 12.627 9.491 1.00 26.15 N ATOM 807 CA GLN A 92 32.076 13.066 9.026 1.00 18.86 C ATOM 808 C GLN A 92 32.261 12.819 7.533 1.00 28.60 C ATOM 809 O GLN A 92 33.000 13.554 6.872 1.00 34.93 O ATOM 810 CB GLN A 92 33.174 12.356 9.815 1.00 24.01 C ATOM 811 CG GLN A 92 33.218 12.717 11.282 1.00 18.63 C ATOM 812 CD GLN A 92 34.581 12.507 11.906 1.00 21.56 C ATOM 813 OE1 GLN A 92 35.587 12.330 11.210 1.00 23.74 O ATOM 814 NE2 GLN A 92 34.623 12.536 13.230 1.00 19.19 N ATOM 815 HE22 GLN A 92 33.750 12.688 13.775 1.00 0.00 H ATOM 816 HE21 GLN A 92 35.529 12.407 13.724 1.00 0.00 H ATOM 817 H GLN A 92 30.696 11.823 10.147 1.00 0.00 H ATOM 818 N ILE A 93 31.644 11.767 6.997 1.00 29.17 N ATOM 819 CA ILE A 93 31.743 11.458 5.578 1.00 33.26 C ATOM 820 C ILE A 93 30.619 12.073 4.757 1.00 30.26 C ATOM 821 O ILE A 93 30.489 11.760 3.569 1.00 26.12 O ATOM 822 CB ILE A 93 31.828 9.943 5.356 1.00 27.50 C ATOM 823 CG1 ILE A 93 30.546 9.255 5.804 1.00 29.40 C ATOM 824 CG2 ILE A 93 33.017 9.378 6.131 1.00 27.12 C ATOM 825 CD1 ILE A 93 30.453 7.798 5.402 1.00 40.38 C ATOM 826 H ILE A 93 31.075 11.149 7.610 1.00 0.00 H ATOM 827 N GLY A 94 29.799 12.918 5.365 1.00 36.94 N ATOM 828 CA GLY A 94 28.751 13.625 4.676 1.00 37.35 C ATOM 829 C GLY A 94 27.588 12.764 4.272 1.00 33.04 C ATOM 830 O GLY A 94 26.978 13.021 3.234 1.00 29.53 O ATOM 831 H GLY A 94 29.918 13.078 6.386 1.00 0.00 H ATOM 832 N CYS A 95 27.240 11.768 5.077 1.00 27.49 N ATOM 833 CA CYS A 95 26.173 10.841 4.724 1.00 30.47 C ATOM 834 C CYS A 95 24.812 11.412 5.112 1.00 28.41 C ATOM 835 O CYS A 95 24.630 11.916 6.225 1.00 27.69 O ATOM 836 CB CYS A 95 26.406 9.493 5.414 1.00 30.50 C ATOM 837 SG CYS A 95 25.321 8.189 4.872 1.00 43.91 S ATOM 838 H CYS A 95 27.740 11.646 5.981 1.00 0.00 H ATOM 839 N THR A 96 23.858 11.334 4.186 1.00 24.30 N ATOM 840 CA THR A 96 22.498 11.787 4.420 1.00 21.13 C ATOM 841 C THR A 96 21.510 10.728 3.945 1.00 26.93 C ATOM 842 O THR A 96 21.845 9.857 3.133 1.00 24.02 O ATOM 843 CB THR A 96 22.209 13.103 3.699 1.00 26.49 C ATOM 844 OG1 THR A 96 22.340 12.903 2.285 1.00 28.26 O ATOM 845 CG2 THR A 96 23.172 14.199 4.158 1.00 31.42 C ATOM 846 HG1 THR A 96 21.695 12.212 1.989 1.00 0.00 H ATOM 847 H THR A 96 24.097 10.932 3.257 1.00 0.00 H ATOM 848 N LEU A 97 20.284 10.815 4.462 1.00 24.01 N ATOM 849 CA LEU A 97 19.166 10.009 3.983 1.00 26.52 C ATOM 850 C LEU A 97 18.300 10.843 3.049 1.00 24.82 C ATOM 851 O LEU A 97 18.108 12.039 3.270 1.00 29.06 O ATOM 852 CB LEU A 97 18.323 9.489 5.144 1.00 25.01 C ATOM 853 CG LEU A 97 18.923 8.330 5.938 1.00 24.24 C ATOM 854 CD1 LEU A 97 18.216 8.196 7.290 1.00 26.49 C ATOM 855 CD2 LEU A 97 18.842 7.019 5.161 1.00 28.27 C ATOM 856 H LEU A 97 20.118 11.486 5.239 1.00 0.00 H ATOM 857 N ASN A 98 17.784 10.209 2.001 1.00 30.41 N ATOM 858 CA ASN A 98 16.999 10.906 0.991 1.00 34.42 C ATOM 859 C ASN A 98 15.881 10.005 0.494 1.00 41.59 C ATOM 860 O ASN A 98 16.132 8.851 0.129 1.00 35.27 O ATOM 861 CB ASN A 98 17.882 11.339 -0.192 1.00 25.13 C ATOM 862 CG ASN A 98 19.067 12.183 0.239 1.00 47.39 C ATOM 863 OD1 ASN A 98 20.066 11.664 0.755 1.00 40.32 O ATOM 864 ND2 ASN A 98 18.969 13.492 0.026 1.00 29.34 N ATOM 865 HD22 ASN A 98 18.111 13.885 -0.410 1.00 0.00 H ATOM 866 HD21 ASN A 98 19.751 14.123 0.296 1.00 0.00 H ATOM 867 H ASN A 98 17.945 9.187 1.899 1.00 0.00 H ATOM 868 N PHE A 99 14.659 10.534 0.475 1.00 33.83 N ATOM 869 CA PHE A 99 13.530 9.824 -0.127 1.00 48.33 C ATOM 870 C PHE A 99 12.477 10.805 -0.646 1.00 45.41 C ATOM 871 O PHE A 99 11.347 10.421 -0.964 1.00 43.67 O ATOM 872 CB PHE A 99 12.895 8.843 0.868 1.00 46.18 C ATOM 873 CG PHE A 99 12.395 9.483 2.134 1.00 37.97 C ATOM 874 CD1 PHE A 99 13.177 9.484 3.275 1.00 44.03 C ATOM 875 CD2 PHE A 99 11.136 10.063 2.190 1.00 48.36 C ATOM 876 CE1 PHE A 99 12.719 10.061 4.446 1.00 48.39 C ATOM 877 CE2 PHE A 99 10.676 10.646 3.359 1.00 55.17 C ATOM 878 CZ PHE A 99 11.468 10.642 4.488 1.00 38.02 C ATOM 879 OXT PHE A 99 12.737 12.002 -0.757 1.00 51.70 O ATOM 880 H PHE A 99 14.504 11.472 0.897 1.00 0.00 H TER 881 PHE A 99 ATOM 882 N PRO B 1 12.527 14.314 0.699 1.00 59.05 N ATOM 883 CA PRO B 1 13.365 15.264 1.444 1.00 62.76 C ATOM 884 C PRO B 1 14.776 14.744 1.683 1.00 50.14 C ATOM 885 O PRO B 1 15.057 13.580 1.405 1.00 39.78 O ATOM 886 CB PRO B 1 12.615 15.428 2.772 1.00 45.96 C ATOM 887 CG PRO B 1 11.932 14.103 2.964 1.00 62.26 C ATOM 888 CD PRO B 1 11.567 13.608 1.572 1.00 65.47 C ATOM 889 HN2 PRO B 1 13.143 13.612 0.242 1.00 0.00 H ATOM 890 HN1 PRO B 1 11.997 14.835 -0.029 1.00 0.00 H ATOM 891 N GLN B 2 15.650 15.610 2.188 1.00 48.64 N ATOM 892 CA GLN B 2 16.985 15.219 2.624 1.00 45.16 C ATOM 893 C GLN B 2 17.078 15.409 4.131 1.00 35.12 C ATOM 894 O GLN B 2 16.735 16.475 4.647 1.00 44.69 O ATOM 895 CB GLN B 2 18.072 16.035 1.924 1.00 33.81 C ATOM 896 CG GLN B 2 19.484 15.627 2.336 1.00 37.56 C ATOM 897 CD GLN B 2 20.551 16.189 1.420 1.00 38.39 C ATOM 898 OE1 GLN B 2 20.647 15.813 0.254 1.00 43.53 O ATOM 899 NE2 GLN B 2 21.361 17.099 1.948 1.00 40.28 N ATOM 900 HE22 GLN B 2 21.243 17.387 2.940 1.00 0.00 H ATOM 901 HE21 GLN B 2 22.114 17.524 1.369 1.00 0.00 H ATOM 902 H GLN B 2 15.369 16.608 2.275 1.00 0.00 H ATOM 903 N ILE B 3 17.547 14.381 4.831 1.00 37.74 N ATOM 904 CA ILE B 3 17.646 14.398 6.286 1.00 36.13 C ATOM 905 C ILE B 3 19.104 14.192 6.668 1.00 41.62 C ATOM 906 O ILE B 3 19.733 13.217 6.236 1.00 33.36 O ATOM 907 CB ILE B 3 16.749 13.322 6.927 1.00 32.58 C ATOM 908 CG1 ILE B 3 15.298 13.521 6.485 1.00 39.93 C ATOM 909 CG2 ILE B 3 16.854 13.380 8.433 1.00 36.30 C ATOM 910 CD1 ILE B 3 14.397 12.357 6.782 1.00 41.71 C ATOM 911 H ILE B 3 17.856 13.529 4.320 1.00 0.00 H ATOM 912 N THR B 4 19.639 15.115 7.469 1.00 24.91 N ATOM 913 CA THR B 4 21.011 15.021 7.925 1.00 21.36 C ATOM 914 C THR B 4 21.090 14.120 9.155 1.00 22.96 C ATOM 915 O THR B 4 20.079 13.772 9.769 1.00 31.18 O ATOM 916 CB THR B 4 21.571 16.409 8.237 1.00 31.08 C ATOM 917 OG1 THR B 4 20.762 17.040 9.234 1.00 34.56 O ATOM 918 CG2 THR B 4 21.601 17.269 6.980 1.00 28.97 C ATOM 919 HG1 THR B 4 20.766 16.490 10.057 1.00 0.00 H ATOM 920 H THR B 4 19.057 15.921 7.773 1.00 0.00 H ATOM 921 N LEU B 5 22.319 13.758 9.524 1.00 24.10 N ATOM 922 CA LEU B 5 22.556 12.803 10.598 1.00 23.93 C ATOM 923 C LEU B 5 23.141 13.444 11.853 1.00 21.96 C ATOM 924 O LEU B 5 23.620 12.721 12.739 1.00 17.60 O ATOM 925 CB LEU B 5 23.479 11.686 10.109 1.00 27.23 C ATOM 926 CG LEU B 5 22.953 10.794 8.986 1.00 30.87 C ATOM 927 CD1 LEU B 5 23.677 9.445 9.014 1.00 40.87 C ATOM 928 CD2 LEU B 5 21.455 10.581 9.084 1.00 28.40 C ATOM 929 H LEU B 5 23.135 14.171 9.029 1.00 0.00 H ATOM 930 N TRP B 6 23.119 14.778 11.955 1.00 15.30 N ATOM 931 CA TRP B 6 23.545 15.429 13.187 1.00 20.07 C ATOM 932 C TRP B 6 22.713 14.948 14.371 1.00 20.94 C ATOM 933 O TRP B 6 23.227 14.791 15.486 1.00 22.07 O ATOM 934 CB TRP B 6 23.430 16.944 13.052 1.00 20.97 C ATOM 935 CG TRP B 6 24.307 17.566 12.031 1.00 24.29 C ATOM 936 CD1 TRP B 6 23.909 18.250 10.912 1.00 27.16 C ATOM 937 CD2 TRP B 6 25.742 17.601 12.030 1.00 24.73 C ATOM 938 NE1 TRP B 6 25.008 18.702 10.217 1.00 25.75 N ATOM 939 CE2 TRP B 6 26.143 18.316 10.882 1.00 25.65 C ATOM 940 CE3 TRP B 6 26.722 17.096 12.884 1.00 23.50 C ATOM 941 CZ2 TRP B 6 27.480 18.530 10.568 1.00 32.67 C ATOM 942 CZ3 TRP B 6 28.051 17.317 12.570 1.00 26.40 C ATOM 943 CH2 TRP B 6 28.417 18.027 11.428 1.00 25.46 C ATOM 944 HE1 TRP B 6 24.982 19.247 9.332 1.00 0.00 H ATOM 945 H TRP B 6 22.796 15.353 11.151 1.00 0.00 H ATOM 946 N LYS B 7 21.427 14.713 14.148 1.00 25.76 N ATOM 947 CA LYS B 7 20.499 14.251 15.168 1.00 27.23 C ATOM 948 C LYS B 7 19.846 12.955 14.700 1.00 19.78 C ATOM 949 O LYS B 7 19.914 12.588 13.527 1.00 18.95 O ATOM 950 CB LYS B 7 19.433 15.319 15.462 1.00 23.02 C ATOM 951 CG LYS B 7 18.857 15.973 14.221 1.00 35.10 C ATOM 952 CD LYS B 7 17.987 17.175 14.565 1.00 40.89 C ATOM 953 CE LYS B 7 16.587 16.755 14.993 1.00 38.22 C ATOM 954 NZ LYS B 7 15.535 17.621 14.378 1.00 52.32 N ATOM 955 HZ1 LYS B 7 15.685 18.607 14.671 1.00 0.00 H ATOM 956 HZ2 LYS B 7 15.594 17.554 13.342 1.00 0.00 H ATOM 957 HZ3 LYS B 7 14.597 17.302 14.694 1.00 0.00 H ATOM 958 H LYS B 7 21.061 14.868 13.187 1.00 0.00 H ATOM 959 N ARG B 8 19.214 12.255 15.631 1.00 22.31 N ATOM 960 CA ARG B 8 18.499 11.036 15.280 1.00 24.17 C ATOM 961 C ARG B 8 17.474 11.346 14.191 1.00 28.12 C ATOM 962 O ARG B 8 16.736 12.334 14.306 1.00 24.23 O ATOM 963 CB ARG B 8 17.811 10.456 16.506 1.00 20.25 C ATOM 964 CG ARG B 8 18.774 10.008 17.603 1.00 23.68 C ATOM 965 CD ARG B 8 18.045 9.246 18.716 1.00 32.52 C ATOM 966 NE ARG B 8 18.968 8.454 19.529 1.00 35.03 N ATOM 967 CZ ARG B 8 18.597 7.559 20.441 1.00 40.15 C ATOM 968 NH1 ARG B 8 17.312 7.330 20.672 1.00 45.12 N ATOM 969 NH2 ARG B 8 19.516 6.891 21.130 1.00 34.37 N ATOM 970 HE ARG B 8 19.987 8.601 19.384 1.00 0.00 H ATOM 971 HH12 ARG B 8 17.029 6.629 21.386 1.00 0.00 H ATOM 972 HH11 ARG B 8 16.587 7.851 20.139 1.00 0.00 H ATOM 973 HH22 ARG B 8 19.225 6.192 21.843 1.00 0.00 H ATOM 974 HH21 ARG B 8 20.526 7.068 20.957 1.00 0.00 H ATOM 975 H ARG B 8 19.229 12.579 16.619 1.00 0.00 H ATOM 976 N PRO B 9 17.419 10.557 13.108 1.00 21.95 N ATOM 977 CA PRO B 9 16.444 10.842 12.028 1.00 24.17 C ATOM 978 C PRO B 9 15.031 10.391 12.387 1.00 21.54 C ATOM 979 O PRO B 9 14.485 9.416 11.873 1.00 31.20 O ATOM 980 CB PRO B 9 17.036 10.073 10.840 1.00 27.61 C ATOM 981 CG PRO B 9 17.747 8.908 11.464 1.00 23.31 C ATOM 982 CD PRO B 9 18.302 9.417 12.783 1.00 22.59 C ATOM 983 N LEU B 10 14.419 11.117 13.313 1.00 20.03 N ATOM 984 CA LEU B 10 13.055 10.845 13.725 1.00 18.00 C ATOM 985 C LEU B 10 12.068 11.496 12.765 1.00 25.75 C ATOM 986 O LEU B 10 12.243 12.643 12.345 1.00 23.17 O ATOM 987 CB LEU B 10 12.825 11.374 15.144 1.00 23.37 C ATOM 988 CG LEU B 10 13.621 10.688 16.253 1.00 23.53 C ATOM 989 CD1 LEU B 10 13.395 11.381 17.581 1.00 31.90 C ATOM 990 CD2 LEU B 10 13.251 9.201 16.344 1.00 27.45 C ATOM 991 H LEU B 10 14.932 11.905 13.757 1.00 0.00 H ATOM 992 N VAL B 11 11.013 10.755 12.426 1.00 21.05 N ATOM 993 CA VAL B 11 9.962 11.250 11.549 1.00 27.39 C ATOM 994 C VAL B 11 8.619 10.794 12.105 1.00 30.03 C ATOM 995 O VAL B 11 8.535 9.904 12.957 1.00 29.39 O ATOM 996 CB VAL B 11 10.127 10.769 10.086 1.00 26.37 C ATOM 997 CG1 VAL B 11 11.448 11.261 9.505 1.00 25.96 C ATOM 998 CG2 VAL B 11 10.034 9.257 10.010 1.00 24.39 C ATOM 999 H VAL B 11 10.938 9.788 12.802 1.00 0.00 H ATOM 1000 N THR B 12 7.559 11.424 11.616 1.00 23.05 N ATOM 1001 CA THR B 12 6.209 11.031 11.976 1.00 25.34 C ATOM 1002 C THR B 12 5.735 9.935 11.031 1.00 23.52 C ATOM 1003 O THR B 12 5.890 10.045 9.813 1.00 25.42 O ATOM 1004 CB THR B 12 5.255 12.224 11.927 1.00 31.29 C ATOM 1005 OG1 THR B 12 5.776 13.295 12.731 1.00 21.44 O ATOM 1006 CG2 THR B 12 3.878 11.815 12.444 1.00 20.95 C ATOM 1007 HG1 THR B 12 5.870 12.988 13.667 1.00 0.00 H ATOM 1008 H THR B 12 7.699 12.218 10.959 1.00 0.00 H ATOM 1009 N ILE B 13 5.155 8.882 11.596 1.00 23.81 N ATOM 1010 CA ILE B 13 4.579 7.803 10.814 1.00 21.16 C ATOM 1011 C ILE B 13 3.114 7.670 11.197 1.00 31.12 C ATOM 1012 O ILE B 13 2.673 8.141 12.248 1.00 26.62 O ATOM 1013 CB ILE B 13 5.327 6.474 11.027 1.00 21.83 C ATOM 1014 CG1 ILE B 13 5.131 5.956 12.448 1.00 18.90 C ATOM 1015 CG2 ILE B 13 6.792 6.666 10.731 1.00 24.08 C ATOM 1016 CD1 ILE B 13 5.576 4.510 12.635 1.00 26.98 C ATOM 1017 H ILE B 13 5.112 8.829 12.634 1.00 0.00 H ATOM 1018 N LYS B 14 2.359 7.009 10.329 1.00 25.41 N ATOM 1019 CA LYS B 14 0.953 6.718 10.569 1.00 23.22 C ATOM 1020 C LYS B 14 0.752 5.218 10.437 1.00 24.00 C ATOM 1021 O LYS B 14 1.075 4.637 9.397 1.00 27.44 O ATOM 1022 CB LYS B 14 0.064 7.472 9.588 1.00 27.38 C ATOM 1023 CG LYS B 14 -1.421 7.219 9.770 1.00 28.12 C ATOM 1024 CD LYS B 14 -2.215 8.061 8.783 1.00 47.06 C ATOM 1025 CE LYS B 14 -3.596 7.485 8.538 1.00 54.66 C ATOM 1026 NZ LYS B 14 -4.220 8.069 7.311 1.00 62.41 N ATOM 1027 HZ1 LYS B 14 -4.306 9.099 7.424 1.00 0.00 H ATOM 1028 HZ2 LYS B 14 -3.623 7.859 6.486 1.00 0.00 H ATOM 1029 HZ3 LYS B 14 -5.163 7.654 7.172 1.00 0.00 H ATOM 1030 H LYS B 14 2.790 6.685 9.440 1.00 0.00 H ATOM 1031 N ILE B 15 0.236 4.595 11.491 1.00 26.87 N ATOM 1032 CA ILE B 15 -0.011 3.158 11.483 1.00 29.10 C ATOM 1033 C ILE B 15 -1.215 2.873 12.368 1.00 27.99 C ATOM 1034 O ILE B 15 -1.361 3.463 13.444 1.00 28.46 O ATOM 1035 CB ILE B 15 1.221 2.366 11.966 1.00 30.93 C ATOM 1036 CG1 ILE B 15 0.882 0.867 12.016 1.00 34.07 C ATOM 1037 CG2 ILE B 15 1.662 2.863 13.329 1.00 21.69 C ATOM 1038 CD1 ILE B 15 2.051 -0.015 12.298 1.00 35.13 C ATOM 1039 H ILE B 15 0.003 5.145 12.342 1.00 0.00 H ATOM 1040 N GLY B 16 -2.059 1.941 11.925 1.00 35.42 N ATOM 1041 CA GLY B 16 -3.241 1.584 12.685 1.00 36.08 C ATOM 1042 C GLY B 16 -4.129 2.762 13.002 1.00 33.02 C ATOM 1043 O GLY B 16 -4.820 2.755 14.030 1.00 35.50 O ATOM 1044 H GLY B 16 -1.867 1.463 11.021 1.00 0.00 H ATOM 1045 N GLY B 17 -4.134 3.775 12.139 1.00 26.37 N ATOM 1046 CA GLY B 17 -4.871 4.982 12.416 1.00 29.52 C ATOM 1047 C GLY B 17 -4.266 5.872 13.476 1.00 43.99 C ATOM 1048 O GLY B 17 -4.948 6.783 13.961 1.00 38.05 O ATOM 1049 H GLY B 17 -3.598 3.694 11.251 1.00 0.00 H ATOM 1050 N GLN B 18 -3.008 5.648 13.849 1.00 33.71 N ATOM 1051 CA GLN B 18 -2.349 6.427 14.887 1.00 30.06 C ATOM 1052 C GLN B 18 -1.063 7.038 14.343 1.00 30.94 C ATOM 1053 O GLN B 18 -0.357 6.420 13.540 1.00 25.97 O ATOM 1054 CB GLN B 18 -2.033 5.553 16.109 1.00 40.08 C ATOM 1055 CG GLN B 18 -3.124 5.517 17.170 1.00 44.54 C ATOM 1056 CD GLN B 18 -2.697 4.776 18.424 1.00 46.24 C ATOM 1057 OE1 GLN B 18 -2.054 3.726 18.349 1.00 47.06 O ATOM 1058 NE2 GLN B 18 -3.051 5.319 19.586 1.00 50.13 N ATOM 1059 HE22 GLN B 18 -3.593 6.206 19.602 1.00 0.00 H ATOM 1060 HE21 GLN B 18 -2.785 4.856 20.479 1.00 0.00 H ATOM 1061 H GLN B 18 -2.476 4.887 13.381 1.00 0.00 H ATOM 1062 N LEU B 19 -0.763 8.251 14.785 1.00 27.11 N ATOM 1063 CA LEU B 19 0.483 8.917 14.436 1.00 33.14 C ATOM 1064 C LEU B 19 1.518 8.663 15.524 1.00 32.18 C ATOM 1065 O LEU B 19 1.210 8.744 16.717 1.00 34.24 O ATOM 1066 CB LEU B 19 0.263 10.418 14.266 1.00 37.35 C ATOM 1067 CG LEU B 19 -0.616 10.863 13.098 1.00 25.55 C ATOM 1068 CD1 LEU B 19 -0.631 12.389 13.034 1.00 24.44 C ATOM 1069 CD2 LEU B 19 -0.126 10.264 11.791 1.00 26.80 C ATOM 1070 H LEU B 19 -1.441 8.743 15.402 1.00 0.00 H ATOM 1071 N LYS B 20 2.746 8.357 15.106 1.00 29.89 N ATOM 1072 CA LYS B 20 3.835 8.095 16.038 1.00 28.40 C ATOM 1073 C LYS B 20 5.152 8.595 15.459 1.00 20.12 C ATOM 1074 O LYS B 20 5.290 8.784 14.249 1.00 26.41 O ATOM 1075 CB LYS B 20 3.937 6.599 16.355 1.00 27.83 C ATOM 1076 CG LYS B 20 2.592 5.932 16.655 1.00 36.25 C ATOM 1077 CD LYS B 20 2.774 4.613 17.372 1.00 41.07 C ATOM 1078 CE LYS B 20 1.713 4.384 18.462 1.00 50.25 C ATOM 1079 NZ LYS B 20 1.446 5.579 19.327 1.00 60.71 N ATOM 1080 HZ1 LYS B 20 2.323 5.858 19.811 1.00 0.00 H ATOM 1081 HZ2 LYS B 20 1.109 6.365 18.735 1.00 0.00 H ATOM 1082 HZ3 LYS B 20 0.721 5.339 20.033 1.00 0.00 H ATOM 1083 H LYS B 20 2.933 8.304 14.084 1.00 0.00 H ATOM 1084 N GLU B 21 6.124 8.796 16.344 1.00 28.45 N ATOM 1085 CA GLU B 21 7.474 9.183 15.950 1.00 24.37 C ATOM 1086 C GLU B 21 8.329 7.930 15.833 1.00 26.06 C ATOM 1087 O GLU B 21 8.367 7.111 16.760 1.00 20.95 O ATOM 1088 CB GLU B 21 8.103 10.139 16.965 1.00 24.54 C ATOM 1089 CG GLU B 21 7.459 11.518 17.037 1.00 40.63 C ATOM 1090 CD GLU B 21 7.924 12.436 15.923 1.00 51.41 C ATOM 1091 OE1 GLU B 21 7.097 12.744 15.035 1.00 54.86 O ATOM 1092 OE2 GLU B 21 9.107 12.849 15.937 1.00 48.09 O ATOM 1093 H GLU B 21 5.914 8.673 17.355 1.00 0.00 H ATOM 1094 N ALA B 22 9.032 7.794 14.709 1.00 25.77 N ATOM 1095 CA ALA B 22 9.834 6.610 14.448 1.00 19.99 C ATOM 1096 C ALA B 22 11.191 7.014 13.879 1.00 19.90 C ATOM 1097 O ALA B 22 11.373 8.103 13.335 1.00 21.20 O ATOM 1098 CB ALA B 22 9.122 5.646 13.481 1.00 20.81 C ATOM 1099 H ALA B 22 9.006 8.555 14.000 1.00 0.00 H ATOM 1100 N LEU B 23 12.135 6.094 13.998 1.00 20.35 N ATOM 1101 CA LEU B 23 13.530 6.300 13.635 1.00 22.01 C ATOM 1102 C LEU B 23 13.806 5.634 12.295 1.00 18.73 C ATOM 1103 O LEU B 23 13.568 4.431 12.135 1.00 19.22 O ATOM 1104 CB LEU B 23 14.412 5.718 14.739 1.00 19.88 C ATOM 1105 CG LEU B 23 15.901 5.995 14.853 1.00 27.68 C ATOM 1106 CD1 LEU B 23 16.147 7.276 15.574 1.00 30.40 C ATOM 1107 CD2 LEU B 23 16.563 4.827 15.603 1.00 33.80 C ATOM 1108 H LEU B 23 11.863 5.164 14.375 1.00 0.00 H ATOM 1109 N LEU B 24 14.277 6.425 11.327 1.00 23.84 N ATOM 1110 CA LEU B 24 14.668 5.879 10.030 1.00 17.46 C ATOM 1111 C LEU B 24 15.998 5.154 10.175 1.00 25.44 C ATOM 1112 O LEU B 24 17.040 5.791 10.354 1.00 21.67 O ATOM 1113 CB LEU B 24 14.774 6.991 8.995 1.00 18.66 C ATOM 1114 CG LEU B 24 13.496 7.773 8.668 1.00 23.69 C ATOM 1115 CD1 LEU B 24 13.788 8.862 7.646 1.00 28.19 C ATOM 1116 CD2 LEU B 24 12.384 6.844 8.171 1.00 31.57 C ATOM 1117 H LEU B 24 14.367 7.447 11.500 1.00 0.00 H ATOM 1118 N ASP B 25 15.971 3.823 10.110 1.00 20.11 N ATOM 1119 CA ASP B 25 17.102 3.007 10.543 1.00 19.12 C ATOM 1120 C ASP B 25 17.551 2.070 9.427 1.00 22.41 C ATOM 1121 O ASP B 25 16.968 1.002 9.225 1.00 16.24 O ATOM 1122 CB ASP B 25 16.725 2.216 11.797 1.00 24.12 C ATOM 1123 CG ASP B 25 17.917 1.628 12.493 1.00 16.11 C ATOM 1124 OD1 ASP B 25 19.022 1.681 11.905 1.00 20.96 O ATOM 1125 OD2 ASP B 25 17.762 1.129 13.626 1.00 19.32 O ATOM 1126 H ASP B 25 15.120 3.352 9.740 1.00 0.00 H ATOM 1127 N THR B 26 18.618 2.463 8.733 1.00 17.12 N ATOM 1128 CA THR B 26 19.211 1.611 7.714 1.00 15.88 C ATOM 1129 C THR B 26 19.860 0.361 8.299 1.00 21.32 C ATOM 1130 O THR B 26 20.077 -0.611 7.567 1.00 25.88 O ATOM 1131 CB THR B 26 20.261 2.399 6.925 1.00 20.94 C ATOM 1132 OG1 THR B 26 21.290 2.847 7.821 1.00 20.80 O ATOM 1133 CG2 THR B 26 19.628 3.598 6.239 1.00 16.27 C ATOM 1134 HG1 THR B 26 21.716 2.063 8.250 1.00 0.00 H ATOM 1135 H THR B 26 19.035 3.397 8.923 1.00 0.00 H ATOM 1136 N GLY B 27 20.203 0.369 9.579 1.00 17.24 N ATOM 1137 CA GLY B 27 20.745 -0.811 10.219 1.00 18.82 C ATOM 1138 C GLY B 27 19.727 -1.844 10.663 1.00 19.83 C ATOM 1139 O GLY B 27 20.111 -2.905 11.162 1.00 18.74 O ATOM 1140 H GLY B 27 20.080 1.240 10.134 1.00 0.00 H ATOM 1141 N ALA B 28 18.439 -1.560 10.499 1.00 20.58 N ATOM 1142 CA ALA B 28 17.371 -2.469 10.891 1.00 19.28 C ATOM 1143 C ALA B 28 16.817 -3.172 9.658 1.00 18.67 C ATOM 1144 O ALA B 28 16.351 -2.516 8.721 1.00 15.87 O ATOM 1145 CB ALA B 28 16.261 -1.708 11.619 1.00 16.45 C ATOM 1146 H ALA B 28 18.182 -0.647 10.071 1.00 0.00 H ATOM 1147 N ASP B 29 16.875 -4.508 9.663 1.00 25.07 N ATOM 1148 CA ASP B 29 16.274 -5.280 8.582 1.00 25.36 C ATOM 1149 C ASP B 29 14.771 -5.030 8.492 1.00 20.61 C ATOM 1150 O ASP B 29 14.215 -4.898 7.394 1.00 18.55 O ATOM 1151 CB ASP B 29 16.532 -6.775 8.795 1.00 23.36 C ATOM 1152 CG ASP B 29 17.973 -7.169 8.561 1.00 19.85 C ATOM 1153 OD1 ASP B 29 18.754 -6.346 8.065 1.00 25.68 O ATOM 1154 OD2 ASP B 29 18.321 -8.322 8.869 1.00 26.65 O ATOM 1155 H ASP B 29 17.353 -5.000 10.445 1.00 0.00 H ATOM 1156 N ASP B 30 14.092 -4.979 9.636 1.00 20.96 N ATOM 1157 CA ASP B 30 12.639 -4.924 9.678 1.00 22.44 C ATOM 1158 C ASP B 30 12.180 -3.838 10.639 1.00 22.18 C ATOM 1159 O ASP B 30 12.895 -3.460 11.566 1.00 22.51 O ATOM 1160 CB ASP B 30 12.042 -6.279 10.105 1.00 28.00 C ATOM 1161 CG ASP B 30 12.209 -7.353 9.042 1.00 26.48 C ATOM 1162 OD1 ASP B 30 11.566 -7.246 7.969 1.00 30.26 O ATOM 1163 OD2 ASP B 30 12.987 -8.291 9.281 1.00 25.59 O ATOM 1164 H ASP B 30 14.620 -4.978 10.532 1.00 0.00 H ATOM 1165 N THR B 31 10.961 -3.355 10.410 1.00 17.35 N ATOM 1166 CA THR B 31 10.371 -2.309 11.228 1.00 19.17 C ATOM 1167 C THR B 31 9.896 -2.910 12.544 1.00 21.64 C ATOM 1168 O THR B 31 9.242 -3.962 12.556 1.00 18.30 O ATOM 1169 CB THR B 31 9.210 -1.656 10.473 1.00 17.92 C ATOM 1170 OG1 THR B 31 9.728 -0.969 9.330 1.00 21.62 O ATOM 1171 CG2 THR B 31 8.444 -0.689 11.358 1.00 21.65 C ATOM 1172 HG1 THR B 31 10.190 -1.615 8.740 1.00 0.00 H ATOM 1173 H THR B 31 10.411 -3.741 9.616 1.00 0.00 H ATOM 1174 N VAL B 32 10.222 -2.235 13.646 1.00 17.53 N ATOM 1175 CA VAL B 32 9.854 -2.669 14.988 1.00 17.68 C ATOM 1176 C VAL B 32 9.264 -1.480 15.725 1.00 20.17 C ATOM 1177 O VAL B 32 9.954 -0.478 15.932 1.00 20.58 O ATOM 1178 CB VAL B 32 11.057 -3.228 15.766 1.00 21.22 C ATOM 1179 CG1 VAL B 32 10.576 -3.910 17.041 1.00 19.17 C ATOM 1180 CG2 VAL B 32 11.864 -4.180 14.892 1.00 29.06 C ATOM 1181 H VAL B 32 10.766 -1.355 13.543 1.00 0.00 H ATOM 1182 N LEU B 33 8.010 -1.603 16.150 1.00 15.51 N ATOM 1183 CA LEU B 33 7.297 -0.526 16.811 1.00 13.21 C ATOM 1184 C LEU B 33 7.009 -0.866 18.268 1.00 20.48 C ATOM 1185 O LEU B 33 6.823 -2.028 18.631 1.00 17.37 O ATOM 1186 CB LEU B 33 5.976 -0.225 16.088 1.00 25.72 C ATOM 1187 CG LEU B 33 6.070 0.234 14.638 1.00 20.82 C ATOM 1188 CD1 LEU B 33 4.669 0.457 14.064 1.00 35.50 C ATOM 1189 CD2 LEU B 33 6.891 1.480 14.489 1.00 21.34 C ATOM 1190 H LEU B 33 7.520 -2.508 16.003 1.00 0.00 H ATOM 1191 N GLU B 34 6.980 0.170 19.104 1.00 21.62 N ATOM 1192 CA GLU B 34 6.614 0.036 20.508 1.00 26.41 C ATOM 1193 C GLU B 34 5.295 -0.709 20.669 1.00 25.38 C ATOM 1194 O GLU B 34 4.509 -0.810 19.723 1.00 20.77 O ATOM 1195 CB GLU B 34 6.512 1.415 21.174 1.00 29.49 C ATOM 1196 H GLU B 34 7.228 1.112 18.740 1.00 0.00 H ATOM 1197 N GLU B 35 5.057 -1.244 21.865 1.00 40.10 N ATOM 1198 CA GLU B 35 3.861 -2.035 22.129 1.00 46.99 C ATOM 1199 C GLU B 35 2.601 -1.275 21.729 1.00 33.92 C ATOM 1200 O GLU B 35 2.369 -0.147 22.175 1.00 38.37 O ATOM 1201 CB GLU B 35 3.814 -2.405 23.616 1.00 47.17 C ATOM 1202 CG GLU B 35 2.536 -3.101 24.057 1.00 44.98 C ATOM 1203 CD GLU B 35 2.258 -4.361 23.267 1.00 46.13 C ATOM 1204 OE1 GLU B 35 3.180 -5.194 23.129 1.00 47.86 O ATOM 1205 OE2 GLU B 35 1.117 -4.514 22.785 1.00 44.59 O ATOM 1206 H GLU B 35 5.743 -1.093 22.632 1.00 0.00 H ATOM 1207 N MET B 36 1.791 -1.902 20.879 1.00 26.94 N ATOM 1208 CA MET B 36 0.538 -1.314 20.430 1.00 44.93 C ATOM 1209 C MET B 36 -0.433 -2.431 20.086 1.00 31.34 C ATOM 1210 O MET B 36 -0.027 -3.526 19.687 1.00 39.31 O ATOM 1211 CB MET B 36 0.752 -0.389 19.226 1.00 50.53 C ATOM 1212 CG MET B 36 0.836 -1.098 17.889 1.00 32.56 C ATOM 1213 SD MET B 36 1.323 0.021 16.551 1.00 46.26 S ATOM 1214 CE MET B 36 -0.044 1.171 16.554 1.00 46.80 C ATOM 1215 H MET B 36 2.062 -2.841 20.525 1.00 0.00 H ATOM 1216 N ASN B 37 -1.727 -2.140 20.236 1.00 44.94 N ATOM 1217 CA ASN B 37 -2.774 -3.158 20.126 1.00 53.23 C ATOM 1218 C ASN B 37 -3.283 -3.221 18.689 1.00 49.49 C ATOM 1219 O ASN B 37 -4.366 -2.738 18.352 1.00 55.13 O ATOM 1220 CB ASN B 37 -3.904 -2.866 21.109 1.00 42.43 C ATOM 1221 H ASN B 37 -2.001 -1.157 20.438 1.00 0.00 H ATOM 1222 N LEU B 38 -2.483 -3.863 17.828 1.00 47.27 N ATOM 1223 CA LEU B 38 -2.849 -4.031 16.422 1.00 35.25 C ATOM 1224 C LEU B 38 -3.793 -5.224 16.261 1.00 45.97 C ATOM 1225 O LEU B 38 -3.645 -6.229 16.960 1.00 38.11 O ATOM 1226 CB LEU B 38 -1.605 -4.248 15.566 1.00 36.46 C ATOM 1227 CG LEU B 38 -0.942 -3.032 14.930 1.00 45.74 C ATOM 1228 CD1 LEU B 38 0.428 -3.433 14.368 1.00 31.29 C ATOM 1229 CD2 LEU B 38 -1.816 -2.435 13.849 1.00 50.59 C ATOM 1230 H LEU B 38 -1.580 -4.251 18.167 1.00 0.00 H ATOM 1231 N PRO B 39 -4.747 -5.153 15.339 1.00 41.14 N ATOM 1232 CA PRO B 39 -5.645 -6.284 15.101 1.00 51.30 C ATOM 1233 C PRO B 39 -5.055 -7.279 14.107 1.00 43.60 C ATOM 1234 O PRO B 39 -4.058 -7.015 13.433 1.00 36.25 O ATOM 1235 CB PRO B 39 -6.903 -5.613 14.528 1.00 49.98 C ATOM 1236 CG PRO B 39 -6.379 -4.406 13.804 1.00 50.50 C ATOM 1237 CD PRO B 39 -5.073 -3.995 14.483 1.00 48.06 C ATOM 1238 N GLY B 40 -5.697 -8.441 14.038 1.00 39.57 N ATOM 1239 CA GLY B 40 -5.310 -9.481 13.104 1.00 37.14 C ATOM 1240 C GLY B 40 -4.432 -10.539 13.745 1.00 27.24 C ATOM 1241 O GLY B 40 -4.078 -10.479 14.925 1.00 35.47 O ATOM 1242 H GLY B 40 -6.502 -8.610 14.674 1.00 0.00 H ATOM 1243 N ARG B 41 -4.077 -11.529 12.929 1.00 26.23 N ATOM 1244 CA ARG B 41 -3.220 -12.615 13.373 1.00 38.78 C ATOM 1245 C ARG B 41 -1.762 -12.166 13.411 1.00 33.17 C ATOM 1246 O ARG B 41 -1.378 -11.159 12.815 1.00 35.11 O ATOM 1247 CB ARG B 41 -3.377 -13.829 12.456 1.00 44.02 C ATOM 1248 H ARG B 41 -4.422 -11.525 11.948 1.00 0.00 H ATOM 1249 N TRP B 42 -0.947 -12.934 14.129 1.00 31.67 N ATOM 1250 CA TRP B 42 0.466 -12.614 14.272 1.00 35.33 C ATOM 1251 C TRP B 42 1.239 -13.884 14.587 1.00 32.28 C ATOM 1252 O TRP B 42 0.661 -14.902 14.976 1.00 27.40 O ATOM 1253 CB TRP B 42 0.690 -11.561 15.359 1.00 26.49 C ATOM 1254 CG TRP B 42 0.140 -11.946 16.710 1.00 38.42 C ATOM 1255 CD1 TRP B 42 -1.130 -11.740 17.164 1.00 43.84 C ATOM 1256 CD2 TRP B 42 0.846 -12.593 17.778 1.00 29.72 C ATOM 1257 NE1 TRP B 42 -1.259 -12.220 18.443 1.00 38.17 N ATOM 1258 CE2 TRP B 42 -0.060 -12.750 18.842 1.00 33.78 C ATOM 1259 CE3 TRP B 42 2.158 -13.054 17.935 1.00 32.33 C ATOM 1260 CZ2 TRP B 42 0.301 -13.344 20.049 1.00 37.11 C ATOM 1261 CZ3 TRP B 42 2.516 -13.648 19.138 1.00 36.95 C ATOM 1262 CH2 TRP B 42 1.591 -13.785 20.176 1.00 40.36 C ATOM 1263 HE1 TRP B 42 -2.126 -12.187 19.016 1.00 0.00 H ATOM 1264 H TRP B 42 -1.327 -13.781 14.598 1.00 0.00 H ATOM 1265 N LYS B 43 2.562 -13.807 14.413 1.00 30.15 N ATOM 1266 CA LYS B 43 3.453 -14.930 14.679 1.00 30.04 C ATOM 1267 C LYS B 43 4.572 -14.455 15.601 1.00 31.12 C ATOM 1268 O LYS B 43 5.167 -13.385 15.353 1.00 28.02 O ATOM 1269 CB LYS B 43 4.029 -15.494 13.383 1.00 27.62 C ATOM 1270 H LYS B 43 2.971 -12.913 14.075 1.00 0.00 H ATOM 1271 N PRO B 44 4.919 -15.212 16.642 1.00 29.30 N ATOM 1272 CA PRO B 44 6.021 -14.785 17.513 1.00 31.83 C ATOM 1273 C PRO B 44 7.346 -14.753 16.766 1.00 24.00 C ATOM 1274 O PRO B 44 7.584 -15.519 15.829 1.00 22.38 O ATOM 1275 CB PRO B 44 6.032 -15.841 18.626 1.00 42.18 C ATOM 1276 CG PRO B 44 4.751 -16.602 18.486 1.00 32.30 C ATOM 1277 CD PRO B 44 4.361 -16.515 17.047 1.00 35.48 C ATOM 1278 N LYS B 45 8.217 -13.854 17.201 1.00 18.34 N ATOM 1279 CA LYS B 45 9.549 -13.739 16.636 1.00 25.71 C ATOM 1280 C LYS B 45 10.469 -13.132 17.683 1.00 26.08 C ATOM 1281 O LYS B 45 10.022 -12.438 18.602 1.00 25.44 O ATOM 1282 CB LYS B 45 9.556 -12.879 15.367 1.00 30.99 C ATOM 1283 CG LYS B 45 10.901 -12.856 14.643 1.00 33.31 C ATOM 1284 CD LYS B 45 10.836 -12.035 13.353 1.00 33.14 C ATOM 1285 CE LYS B 45 12.193 -11.975 12.656 1.00 34.18 C ATOM 1286 NZ LYS B 45 12.809 -13.329 12.472 1.00 55.99 N ATOM 1287 HZ1 LYS B 45 12.947 -13.775 13.401 1.00 0.00 H ATOM 1288 HZ2 LYS B 45 12.179 -13.920 11.893 1.00 0.00 H ATOM 1289 HZ3 LYS B 45 13.727 -13.229 11.995 1.00 0.00 H ATOM 1290 H LYS B 45 7.938 -13.212 17.970 1.00 0.00 H ATOM 1291 N MET B 46 11.765 -13.398 17.524 1.00 24.68 N ATOM 1292 CA MET B 46 12.807 -12.818 18.363 1.00 28.58 C ATOM 1293 C MET B 46 13.829 -12.126 17.471 1.00 27.89 C ATOM 1294 O MET B 46 14.315 -12.716 16.500 1.00 25.95 O ATOM 1295 CB MET B 46 13.479 -13.889 19.229 1.00 19.98 C ATOM 1296 CG MET B 46 12.774 -14.117 20.566 1.00 26.86 C ATOM 1297 SD MET B 46 13.334 -15.596 21.417 1.00 67.87 S ATOM 1298 CE MET B 46 14.642 -14.926 22.443 1.00 29.93 C ATOM 1299 H MET B 46 12.047 -14.051 16.765 1.00 0.00 H ATOM 1300 N ILE B 47 14.127 -10.868 17.781 1.00 26.09 N ATOM 1301 CA ILE B 47 15.127 -10.093 17.056 1.00 24.28 C ATOM 1302 C ILE B 47 16.232 -9.719 18.034 1.00 25.62 C ATOM 1303 O ILE B 47 15.962 -9.412 19.200 1.00 20.02 O ATOM 1304 CB ILE B 47 14.528 -8.834 16.401 1.00 23.25 C ATOM 1305 CG1 ILE B 47 13.750 -8.004 17.429 1.00 21.79 C ATOM 1306 CG2 ILE B 47 13.637 -9.234 15.240 1.00 25.66 C ATOM 1307 CD1 ILE B 47 13.240 -6.675 16.888 1.00 21.62 C ATOM 1308 H ILE B 47 13.626 -10.418 18.574 1.00 0.00 H ATOM 1309 N GLY B 48 17.472 -9.758 17.561 1.00 24.18 N ATOM 1310 CA GLY B 48 18.626 -9.533 18.406 1.00 28.59 C ATOM 1311 C GLY B 48 19.436 -8.341 17.938 1.00 20.47 C ATOM 1312 O GLY B 48 19.434 -7.995 16.759 1.00 21.24 O ATOM 1313 H GLY B 48 17.619 -9.957 16.551 1.00 0.00 H ATOM 1314 N GLY B 49 20.126 -7.724 18.875 1.00 20.68 N ATOM 1315 CA GLY B 49 21.024 -6.625 18.583 1.00 24.36 C ATOM 1316 C GLY B 49 21.968 -6.436 19.753 1.00 20.88 C ATOM 1317 O GLY B 49 22.256 -7.379 20.500 1.00 21.04 O ATOM 1318 H GLY B 49 20.022 -8.037 19.861 1.00 0.00 H ATOM 1319 N ILE B 50 22.459 -5.211 19.921 1.00 21.30 N ATOM 1320 CA ILE B 50 23.288 -4.907 21.079 1.00 17.29 C ATOM 1321 C ILE B 50 22.452 -5.124 22.334 1.00 21.77 C ATOM 1322 O ILE B 50 21.375 -4.533 22.498 1.00 21.34 O ATOM 1323 CB ILE B 50 23.840 -3.472 20.999 1.00 19.34 C ATOM 1324 CG1 ILE B 50 24.859 -3.352 19.856 1.00 14.08 C ATOM 1325 CG2 ILE B 50 24.462 -3.071 22.341 1.00 16.58 C ATOM 1326 CD1 ILE B 50 25.436 -1.977 19.672 1.00 22.68 C ATOM 1327 H ILE B 50 22.250 -4.468 19.223 1.00 0.00 H ATOM 1328 N GLY B 51 22.961 -5.953 23.239 1.00 18.01 N ATOM 1329 CA GLY B 51 22.287 -6.261 24.478 1.00 27.76 C ATOM 1330 C GLY B 51 21.543 -7.574 24.478 1.00 26.33 C ATOM 1331 O GLY B 51 21.143 -8.042 25.553 1.00 29.52 O ATOM 1332 H GLY B 51 23.881 -6.398 23.047 1.00 0.00 H ATOM 1333 N GLY B 52 21.351 -8.186 23.310 1.00 23.29 N ATOM 1334 CA GLY B 52 20.674 -9.462 23.217 1.00 21.80 C ATOM 1335 C GLY B 52 19.396 -9.362 22.406 1.00 20.50 C ATOM 1336 O GLY B 52 19.295 -8.551 21.469 1.00 24.44 O ATOM 1337 H GLY B 52 21.698 -7.734 22.440 1.00 0.00 H ATOM 1338 N PHE B 53 18.412 -10.174 22.784 1.00 25.08 N ATOM 1339 CA PHE B 53 17.201 -10.345 22.001 1.00 20.45 C ATOM 1340 C PHE B 53 15.984 -9.851 22.765 1.00 22.58 C ATOM 1341 O PHE B 53 15.974 -9.821 23.999 1.00 22.50 O ATOM 1342 CB PHE B 53 17.004 -11.827 21.623 1.00 31.54 C ATOM 1343 CG PHE B 53 17.946 -12.313 20.551 1.00 25.80 C ATOM 1344 CD1 PHE B 53 19.276 -12.550 20.830 1.00 24.51 C ATOM 1345 CD2 PHE B 53 17.491 -12.531 19.264 1.00 24.71 C ATOM 1346 CE1 PHE B 53 20.136 -12.993 19.848 1.00 23.10 C ATOM 1347 CE2 PHE B 53 18.346 -12.970 18.276 1.00 29.85 C ATOM 1348 CZ PHE B 53 19.672 -13.201 18.568 1.00 23.75 C ATOM 1349 H PHE B 53 18.514 -10.705 23.672 1.00 0.00 H ATOM 1350 N ILE B 54 14.963 -9.450 22.008 1.00 24.23 N ATOM 1351 CA ILE B 54 13.630 -9.175 22.529 1.00 27.50 C ATOM 1352 C ILE B 54 12.634 -9.988 21.705 1.00 23.61 C ATOM 1353 O ILE B 54 12.830 -10.213 20.509 1.00 17.26 O ATOM 1354 CB ILE B 54 13.270 -7.676 22.482 1.00 26.23 C ATOM 1355 CG1 ILE B 54 13.286 -7.155 21.049 1.00 27.62 C ATOM 1356 CG2 ILE B 54 14.236 -6.858 23.337 1.00 27.72 C ATOM 1357 CD1 ILE B 54 12.610 -5.798 20.881 1.00 23.49 C ATOM 1358 H ILE B 54 15.127 -9.326 20.988 1.00 0.00 H ATOM 1359 N LYS B 55 11.563 -10.436 22.345 1.00 27.02 N ATOM 1360 CA LYS B 55 10.496 -11.143 21.646 1.00 24.12 C ATOM 1361 C LYS B 55 9.446 -10.142 21.175 1.00 20.27 C ATOM 1362 O LYS B 55 9.045 -9.236 21.916 1.00 18.00 O ATOM 1363 CB LYS B 55 9.833 -12.207 22.531 1.00 34.81 C ATOM 1364 CG LYS B 55 8.836 -13.073 21.745 1.00 39.83 C ATOM 1365 CD LYS B 55 7.720 -13.706 22.610 1.00 51.29 C ATOM 1366 CE LYS B 55 7.024 -12.720 23.545 1.00 59.70 C ATOM 1367 NZ LYS B 55 6.116 -11.756 22.852 1.00 54.12 N ATOM 1368 HZ1 LYS B 55 6.664 -11.195 22.169 1.00 0.00 H ATOM 1369 HZ2 LYS B 55 5.371 -12.282 22.352 1.00 0.00 H ATOM 1370 HZ3 LYS B 55 5.683 -11.123 23.555 1.00 0.00 H ATOM 1371 H LYS B 55 11.482 -10.280 23.370 1.00 0.00 H ATOM 1372 N VAL B 56 9.004 -10.314 19.934 1.00 23.30 N ATOM 1373 CA VAL B 56 8.110 -9.384 19.273 1.00 15.48 C ATOM 1374 C VAL B 56 6.993 -10.172 18.608 1.00 25.45 C ATOM 1375 O VAL B 56 7.034 -11.400 18.512 1.00 19.92 O ATOM 1376 CB VAL B 56 8.841 -8.507 18.235 1.00 20.76 C ATOM 1377 CG1 VAL B 56 10.018 -7.785 18.895 1.00 21.90 C ATOM 1378 CG2 VAL B 56 9.317 -9.331 17.056 1.00 22.27 C ATOM 1379 H VAL B 56 9.315 -11.158 19.411 1.00 0.00 H ATOM 1380 N ARG B 57 5.980 -9.442 18.157 1.00 19.59 N ATOM 1381 CA ARG B 57 4.849 -10.010 17.435 1.00 18.32 C ATOM 1382 C ARG B 57 4.913 -9.521 15.996 1.00 19.32 C ATOM 1383 O ARG B 57 4.951 -8.314 15.747 1.00 19.39 O ATOM 1384 CB ARG B 57 3.528 -9.620 18.095 1.00 20.67 C ATOM 1385 CG ARG B 57 3.490 -9.951 19.582 1.00 20.06 C ATOM 1386 CD ARG B 57 2.069 -10.016 20.113 1.00 33.71 C ATOM 1387 NE ARG B 57 1.257 -8.873 19.703 1.00 27.73 N ATOM 1388 CZ ARG B 57 1.357 -7.654 20.227 1.00 46.95 C ATOM 1389 NH1 ARG B 57 0.572 -6.678 19.791 1.00 48.45 N ATOM 1390 NH2 ARG B 57 2.245 -7.409 21.182 1.00 31.05 N ATOM 1391 HE ARG B 57 0.554 -9.022 18.951 1.00 0.00 H ATOM 1392 HH12 ARG B 57 0.650 -5.725 20.201 1.00 0.00 H ATOM 1393 HH11 ARG B 57 -0.122 -6.865 19.039 1.00 0.00 H ATOM 1394 HH22 ARG B 57 2.321 -6.455 21.589 1.00 0.00 H ATOM 1395 HH21 ARG B 57 2.865 -8.171 21.523 1.00 0.00 H ATOM 1396 H ARG B 57 5.994 -8.416 18.327 1.00 0.00 H ATOM 1397 N GLN B 58 4.957 -10.452 15.056 1.00 24.49 N ATOM 1398 CA GLN B 58 5.107 -10.126 13.645 1.00 26.98 C ATOM 1399 C GLN B 58 3.729 -10.074 13.002 1.00 28.13 C ATOM 1400 O GLN B 58 3.062 -11.106 12.869 1.00 30.46 O ATOM 1401 CB GLN B 58 5.991 -11.150 12.934 1.00 23.37 C ATOM 1402 CG GLN B 58 6.141 -10.896 11.449 1.00 31.98 C ATOM 1403 CD GLN B 58 6.756 -12.069 10.718 1.00 36.14 C ATOM 1404 OE1 GLN B 58 7.728 -12.664 11.189 1.00 41.79 O ATOM 1405 NE2 GLN B 58 6.191 -12.413 9.558 1.00 35.72 N ATOM 1406 HE22 GLN B 58 5.372 -11.881 9.201 1.00 0.00 H ATOM 1407 HE21 GLN B 58 6.570 -13.213 9.012 1.00 0.00 H ATOM 1408 H GLN B 58 4.882 -11.451 15.335 1.00 0.00 H ATOM 1409 N TYR B 59 3.311 -8.875 12.602 1.00 28.73 N ATOM 1410 CA TYR B 59 2.153 -8.693 11.740 1.00 22.56 C ATOM 1411 C TYR B 59 2.635 -8.476 10.311 1.00 30.16 C ATOM 1412 O TYR B 59 3.658 -7.820 10.081 1.00 30.82 O ATOM 1413 CB TYR B 59 1.302 -7.508 12.190 1.00 29.51 C ATOM 1414 CG TYR B 59 0.782 -7.621 13.604 1.00 27.67 C ATOM 1415 CD1 TYR B 59 1.557 -7.220 14.679 1.00 22.77 C ATOM 1416 CD2 TYR B 59 -0.489 -8.112 13.861 1.00 28.69 C ATOM 1417 CE1 TYR B 59 1.098 -7.313 15.969 1.00 25.53 C ATOM 1418 CE2 TYR B 59 -0.966 -8.208 15.158 1.00 30.04 C ATOM 1419 CZ TYR B 59 -0.166 -7.813 16.207 1.00 32.61 C ATOM 1420 OH TYR B 59 -0.633 -7.906 17.496 1.00 41.45 O ATOM 1421 HH TYR B 59 -1.447 -7.351 17.592 1.00 0.00 H ATOM 1422 H TYR B 59 3.834 -8.034 12.919 1.00 0.00 H ATOM 1423 N ASP B 60 1.903 -9.031 9.354 1.00 31.92 N ATOM 1424 CA ASP B 60 2.242 -8.914 7.944 1.00 35.75 C ATOM 1425 C ASP B 60 1.201 -8.067 7.222 1.00 35.68 C ATOM 1426 O ASP B 60 0.041 -7.985 7.634 1.00 40.13 O ATOM 1427 CB ASP B 60 2.343 -10.295 7.288 1.00 42.89 C ATOM 1428 CG ASP B 60 3.460 -11.140 7.876 1.00 46.84 C ATOM 1429 OD1 ASP B 60 4.528 -10.576 8.184 1.00 45.61 O ATOM 1430 OD2 ASP B 60 3.275 -12.369 8.029 1.00 48.01 O ATOM 1431 H ASP B 60 1.055 -9.570 9.622 1.00 0.00 H ATOM 1432 N GLN B 61 1.635 -7.424 6.142 1.00 38.07 N ATOM 1433 CA GLN B 61 0.765 -6.593 5.311 1.00 35.96 C ATOM 1434 C GLN B 61 0.078 -5.508 6.142 1.00 38.24 C ATOM 1435 O GLN B 61 -1.148 -5.388 6.180 1.00 37.60 O ATOM 1436 CB GLN B 61 -0.263 -7.454 4.571 1.00 38.51 C ATOM 1437 CG GLN B 61 0.359 -8.455 3.602 1.00 48.41 C ATOM 1438 CD GLN B 61 1.454 -7.844 2.753 1.00 45.39 C ATOM 1439 OE1 GLN B 61 2.626 -7.858 3.128 1.00 48.25 O ATOM 1440 NE2 GLN B 61 1.075 -7.296 1.603 1.00 51.31 N ATOM 1441 HE22 GLN B 61 0.072 -7.308 1.327 1.00 0.00 H ATOM 1442 HE21 GLN B 61 1.781 -6.856 0.979 1.00 0.00 H ATOM 1443 H GLN B 61 2.636 -7.516 5.877 1.00 0.00 H ATOM 1444 N ILE B 62 0.901 -4.706 6.806 1.00 48.43 N ATOM 1445 CA ILE B 62 0.434 -3.571 7.594 1.00 32.66 C ATOM 1446 C ILE B 62 0.700 -2.307 6.796 1.00 33.74 C ATOM 1447 O ILE B 62 1.774 -2.154 6.199 1.00 28.10 O ATOM 1448 CB ILE B 62 1.132 -3.512 8.968 1.00 33.69 C ATOM 1449 CG1 ILE B 62 0.874 -4.813 9.739 1.00 34.81 C ATOM 1450 CG2 ILE B 62 0.657 -2.304 9.751 1.00 32.22 C ATOM 1451 CD1 ILE B 62 -0.557 -4.996 10.183 1.00 27.82 C ATOM 1452 H ILE B 62 1.923 -4.895 6.763 1.00 0.00 H ATOM 1453 N LEU B 63 -0.276 -1.401 6.779 1.00 31.44 N ATOM 1454 CA LEU B 63 -0.114 -0.118 6.110 1.00 35.30 C ATOM 1455 C LEU B 63 0.627 0.850 7.019 1.00 32.08 C ATOM 1456 O LEU B 63 0.247 1.036 8.177 1.00 33.54 O ATOM 1457 CB LEU B 63 -1.474 0.460 5.727 1.00 34.63 C ATOM 1458 CG LEU B 63 -1.447 1.805 4.989 1.00 41.72 C ATOM 1459 CD1 LEU B 63 -0.738 1.666 3.648 1.00 35.01 C ATOM 1460 CD2 LEU B 63 -2.855 2.352 4.789 1.00 55.01 C ATOM 1461 H LEU B 63 -1.176 -1.615 7.255 1.00 0.00 H ATOM 1462 N ILE B 64 1.691 1.450 6.497 1.00 33.02 N ATOM 1463 CA ILE B 64 2.413 2.512 7.184 1.00 35.62 C ATOM 1464 C ILE B 64 2.559 3.676 6.217 1.00 39.01 C ATOM 1465 O ILE B 64 2.905 3.484 5.046 1.00 42.79 O ATOM 1466 CB ILE B 64 3.803 2.056 7.685 1.00 45.62 C ATOM 1467 CG1 ILE B 64 3.653 0.980 8.759 1.00 45.03 C ATOM 1468 CG2 ILE B 64 4.597 3.249 8.220 1.00 43.19 C ATOM 1469 CD1 ILE B 64 4.841 0.874 9.714 1.00 42.40 C ATOM 1470 H ILE B 64 2.022 1.149 5.558 1.00 0.00 H ATOM 1471 N GLU B 65 2.310 4.884 6.712 1.00 31.50 N ATOM 1472 CA GLU B 65 2.557 6.112 5.971 1.00 33.82 C ATOM 1473 C GLU B 65 3.681 6.871 6.662 1.00 35.32 C ATOM 1474 O GLU B 65 3.617 7.124 7.871 1.00 31.28 O ATOM 1475 CB GLU B 65 1.297 6.972 5.892 1.00 29.16 C ATOM 1476 CG GLU B 65 1.332 8.033 4.804 1.00 37.81 C ATOM 1477 CD GLU B 65 0.005 8.751 4.674 1.00 49.44 C ATOM 1478 OE1 GLU B 65 -0.922 8.183 4.057 1.00 42.52 O ATOM 1479 OE2 GLU B 65 -0.116 9.880 5.196 1.00 69.77 O ATOM 1480 H GLU B 65 1.920 4.955 7.674 1.00 0.00 H ATOM 1481 N ILE B 66 4.709 7.223 5.901 1.00 35.17 N ATOM 1482 CA ILE B 66 5.874 7.930 6.427 1.00 38.38 C ATOM 1483 C ILE B 66 5.950 9.261 5.694 1.00 38.19 C ATOM 1484 O ILE B 66 6.350 9.316 4.524 1.00 37.53 O ATOM 1485 CB ILE B 66 7.166 7.126 6.257 1.00 34.47 C ATOM 1486 CG1 ILE B 66 7.129 5.875 7.138 1.00 39.72 C ATOM 1487 CG2 ILE B 66 8.378 7.982 6.592 1.00 39.44 C ATOM 1488 CD1 ILE B 66 8.130 4.816 6.735 1.00 41.49 C ATOM 1489 H ILE B 66 4.684 6.986 4.889 1.00 0.00 H ATOM 1490 N CYS B 67 5.568 10.339 6.379 1.00 37.88 N ATOM 1491 CA CYS B 67 5.630 11.685 5.813 1.00 38.75 C ATOM 1492 C CYS B 67 4.987 11.724 4.433 1.00 38.47 C ATOM 1493 O CYS B 67 5.508 12.329 3.494 1.00 52.61 O ATOM 1494 CB CYS B 67 7.074 12.192 5.751 1.00 45.27 C ATOM 1495 SG CYS B 67 7.954 12.129 7.318 1.00 60.22 S ATOM 1496 H CYS B 67 5.214 10.218 7.349 1.00 0.00 H ATOM 1497 N GLY B 68 3.843 11.057 4.305 1.00 43.87 N ATOM 1498 CA GLY B 68 3.119 11.026 3.053 1.00 46.59 C ATOM 1499 C GLY B 68 3.467 9.880 2.127 1.00 37.58 C ATOM 1500 O GLY B 68 2.727 9.635 1.168 1.00 38.51 O ATOM 1501 H GLY B 68 3.460 10.545 5.125 1.00 0.00 H ATOM 1502 N HIS B 69 4.563 9.176 2.374 1.00 37.94 N ATOM 1503 CA HIS B 69 4.958 8.046 1.544 1.00 33.63 C ATOM 1504 C HIS B 69 4.307 6.784 2.094 1.00 39.00 C ATOM 1505 O HIS B 69 4.548 6.409 3.247 1.00 32.08 O ATOM 1506 CB HIS B 69 6.478 7.900 1.506 1.00 43.50 C ATOM 1507 CG HIS B 69 7.153 8.869 0.585 1.00 45.60 C ATOM 1508 ND1 HIS B 69 7.190 10.225 0.829 1.00 53.85 N ATOM 1509 CD2 HIS B 69 7.819 8.678 -0.578 1.00 49.82 C ATOM 1510 CE1 HIS B 69 7.854 10.827 -0.141 1.00 57.85 C ATOM 1511 NE2 HIS B 69 8.247 9.911 -1.008 1.00 60.22 N ATOM 1512 H HIS B 69 5.159 9.439 3.185 1.00 0.00 H ATOM 1513 N LYS B 70 3.490 6.132 1.269 1.00 40.74 N ATOM 1514 CA LYS B 70 2.729 4.967 1.692 1.00 30.04 C ATOM 1515 C LYS B 70 3.540 3.695 1.497 1.00 35.72 C ATOM 1516 O LYS B 70 4.283 3.556 0.521 1.00 27.66 O ATOM 1517 CB LYS B 70 1.415 4.871 0.914 1.00 32.20 C ATOM 1518 CG LYS B 70 0.290 5.723 1.488 1.00 45.32 C ATOM 1519 CD LYS B 70 -0.938 5.702 0.587 1.00 36.10 C ATOM 1520 CE LYS B 70 -2.027 6.626 1.109 1.00 38.99 C ATOM 1521 NZ LYS B 70 -1.626 8.060 1.036 1.00 55.47 N ATOM 1522 HZ1 LYS B 70 -0.771 8.209 1.609 1.00 0.00 H ATOM 1523 HZ2 LYS B 70 -1.431 8.314 0.047 1.00 0.00 H ATOM 1524 HZ3 LYS B 70 -2.398 8.654 1.402 1.00 0.00 H ATOM 1525 H LYS B 70 3.393 6.467 0.289 1.00 0.00 H ATOM 1526 N ALA B 71 3.383 2.762 2.434 1.00 29.50 N ATOM 1527 CA ALA B 71 4.065 1.478 2.373 1.00 34.00 C ATOM 1528 C ALA B 71 3.194 0.418 3.032 1.00 25.65 C ATOM 1529 O ALA B 71 2.366 0.722 3.891 1.00 39.39 O ATOM 1530 CB ALA B 71 5.436 1.528 3.055 1.00 35.25 C ATOM 1531 H ALA B 71 2.751 2.958 3.237 1.00 0.00 H ATOM 1532 N ILE B 72 3.380 -0.826 2.611 1.00 31.20 N ATOM 1533 CA ILE B 72 2.641 -1.958 3.153 1.00 26.67 C ATOM 1534 C ILE B 72 3.617 -3.118 3.305 1.00 35.96 C ATOM 1535 O ILE B 72 4.299 -3.497 2.345 1.00 32.38 O ATOM 1536 CB ILE B 72 1.447 -2.340 2.256 1.00 38.19 C ATOM 1537 CG1 ILE B 72 0.840 -3.669 2.713 1.00 37.24 C ATOM 1538 CG2 ILE B 72 1.879 -2.420 0.800 1.00 44.76 C ATOM 1539 CD1 ILE B 72 -0.605 -3.848 2.303 1.00 51.83 C ATOM 1540 H ILE B 72 4.082 -1.000 1.864 1.00 0.00 H ATOM 1541 N GLY B 73 3.704 -3.666 4.509 1.00 30.42 N ATOM 1542 CA GLY B 73 4.643 -4.744 4.747 1.00 29.90 C ATOM 1543 C GLY B 73 4.612 -5.222 6.179 1.00 29.39 C ATOM 1544 O GLY B 73 3.660 -4.965 6.921 1.00 31.42 O ATOM 1545 H GLY B 73 3.099 -3.323 5.282 1.00 0.00 H ATOM 1546 N THR B 74 5.679 -5.924 6.554 1.00 23.09 N ATOM 1547 CA THR B 74 5.770 -6.533 7.869 1.00 25.99 C ATOM 1548 C THR B 74 6.088 -5.490 8.931 1.00 22.48 C ATOM 1549 O THR B 74 6.903 -4.585 8.722 1.00 23.92 O ATOM 1550 CB THR B 74 6.844 -7.623 7.876 1.00 30.10 C ATOM 1551 OG1 THR B 74 6.455 -8.690 6.997 1.00 44.99 O ATOM 1552 CG2 THR B 74 7.033 -8.173 9.276 1.00 32.06 C ATOM 1553 HG1 THR B 74 5.596 -9.073 7.305 1.00 0.00 H ATOM 1554 H THR B 74 6.469 -6.039 5.887 1.00 0.00 H ATOM 1555 N VAL B 75 5.446 -5.631 10.085 1.00 21.26 N ATOM 1556 CA VAL B 75 5.662 -4.740 11.216 1.00 22.79 C ATOM 1557 C VAL B 75 5.762 -5.589 12.473 1.00 22.12 C ATOM 1558 O VAL B 75 4.843 -6.350 12.789 1.00 24.95 O ATOM 1559 CB VAL B 75 4.539 -3.700 11.357 1.00 34.32 C ATOM 1560 CG1 VAL B 75 4.526 -3.126 12.756 1.00 33.28 C ATOM 1561 CG2 VAL B 75 4.718 -2.599 10.317 1.00 29.62 C ATOM 1562 H VAL B 75 4.762 -6.408 10.185 1.00 0.00 H ATOM 1563 N LEU B 76 6.870 -5.462 13.186 1.00 28.75 N ATOM 1564 CA LEU B 76 7.091 -6.177 14.432 1.00 22.96 C ATOM 1565 C LEU B 76 6.721 -5.282 15.606 1.00 22.45 C ATOM 1566 O LEU B 76 7.055 -4.087 15.632 1.00 22.21 O ATOM 1567 CB LEU B 76 8.548 -6.620 14.550 1.00 19.24 C ATOM 1568 CG LEU B 76 9.119 -7.348 13.334 1.00 22.43 C ATOM 1569 CD1 LEU B 76 10.612 -7.594 13.538 1.00 28.27 C ATOM 1570 CD2 LEU B 76 8.394 -8.661 13.063 1.00 21.93 C ATOM 1571 H LEU B 76 7.614 -4.823 12.840 1.00 0.00 H ATOM 1572 N VAL B 77 6.026 -5.863 16.575 1.00 15.75 N ATOM 1573 CA VAL B 77 5.565 -5.138 17.756 1.00 24.79 C ATOM 1574 C VAL B 77 6.137 -5.823 18.985 1.00 20.21 C ATOM 1575 O VAL B 77 6.043 -7.048 19.112 1.00 18.12 O ATOM 1576 CB VAL B 77 4.029 -5.077 17.827 1.00 25.47 C ATOM 1577 CG1 VAL B 77 3.580 -4.305 19.063 1.00 31.07 C ATOM 1578 CG2 VAL B 77 3.472 -4.440 16.555 1.00 22.44 C ATOM 1579 H VAL B 77 5.800 -6.875 16.490 1.00 0.00 H ATOM 1580 N GLY B 78 6.740 -5.036 19.874 1.00 24.30 N ATOM 1581 CA GLY B 78 7.365 -5.557 21.065 1.00 20.21 C ATOM 1582 C GLY B 78 7.968 -4.465 21.922 1.00 24.57 C ATOM 1583 O GLY B 78 7.868 -3.274 21.615 1.00 22.77 O ATOM 1584 H GLY B 78 6.761 -4.010 19.704 1.00 0.00 H ATOM 1585 N PRO B 79 8.622 -4.854 23.008 1.00 14.34 N ATOM 1586 CA PRO B 79 9.160 -3.872 23.969 1.00 21.96 C ATOM 1587 C PRO B 79 10.465 -3.233 23.498 1.00 23.81 C ATOM 1588 O PRO B 79 11.509 -3.319 24.149 1.00 25.01 O ATOM 1589 CB PRO B 79 9.337 -4.720 25.237 1.00 21.09 C ATOM 1590 CG PRO B 79 9.647 -6.103 24.722 1.00 20.51 C ATOM 1591 CD PRO B 79 8.812 -6.251 23.453 1.00 27.79 C ATOM 1592 N THR B 80 10.413 -2.577 22.336 1.00 21.21 N ATOM 1593 CA THR B 80 11.581 -1.842 21.881 1.00 21.27 C ATOM 1594 C THR B 80 11.621 -0.471 22.556 1.00 22.51 C ATOM 1595 O THR B 80 10.575 0.145 22.769 1.00 23.19 O ATOM 1596 CB THR B 80 11.564 -1.677 20.362 1.00 25.46 C ATOM 1597 OG1 THR B 80 12.686 -0.872 19.959 1.00 20.76 O ATOM 1598 CG2 THR B 80 10.270 -1.018 19.895 1.00 25.89 C ATOM 1599 HG1 THR B 80 12.625 0.017 20.390 1.00 0.00 H ATOM 1600 H THR B 80 9.545 -2.592 21.763 1.00 0.00 H ATOM 1601 N PRO B 81 12.809 0.029 22.914 1.00 25.88 N ATOM 1602 CA PRO B 81 12.879 1.386 23.488 1.00 33.72 C ATOM 1603 C PRO B 81 12.543 2.487 22.497 1.00 28.39 C ATOM 1604 O PRO B 81 12.235 3.604 22.927 1.00 32.49 O ATOM 1605 CB PRO B 81 14.333 1.500 23.969 1.00 27.71 C ATOM 1606 CG PRO B 81 15.089 0.518 23.139 1.00 33.13 C ATOM 1607 CD PRO B 81 14.129 -0.627 22.873 1.00 30.69 C ATOM 1608 N VAL B 82 12.593 2.217 21.194 1.00 28.13 N ATOM 1609 CA VAL B 82 12.364 3.239 20.181 1.00 26.92 C ATOM 1610 C VAL B 82 11.615 2.629 19.007 1.00 24.96 C ATOM 1611 O VAL B 82 11.790 1.450 18.676 1.00 17.86 O ATOM 1612 CB VAL B 82 13.688 3.869 19.691 1.00 33.26 C ATOM 1613 CG1 VAL B 82 13.408 5.055 18.769 1.00 38.35 C ATOM 1614 CG2 VAL B 82 14.542 4.298 20.875 1.00 44.27 C ATOM 1615 H VAL B 82 12.802 1.245 20.889 1.00 0.00 H ATOM 1616 N ASN B 83 10.772 3.447 18.382 1.00 21.64 N ATOM 1617 CA ASN B 83 10.095 3.045 17.153 1.00 20.27 C ATOM 1618 C ASN B 83 11.090 3.085 16.002 1.00 24.50 C ATOM 1619 O ASN B 83 11.702 4.127 15.741 1.00 20.37 O ATOM 1620 CB ASN B 83 8.913 3.962 16.864 1.00 25.59 C ATOM 1621 CG ASN B 83 7.744 3.723 17.808 1.00 28.73 C ATOM 1622 OD1 ASN B 83 7.466 2.592 18.206 1.00 24.23 O ATOM 1623 ND2 ASN B 83 7.049 4.793 18.159 1.00 30.04 N ATOM 1624 HD22 ASN B 83 7.320 5.730 17.799 1.00 0.00 H ATOM 1625 HD21 ASN B 83 6.232 4.697 18.795 1.00 0.00 H ATOM 1626 H ASN B 83 10.592 4.392 18.777 1.00 0.00 H ATOM 1627 N ILE B 84 11.250 1.954 15.318 1.00 17.90 N ATOM 1628 CA ILE B 84 12.305 1.768 14.330 1.00 17.40 C ATOM 1629 C ILE B 84 11.683 1.434 12.985 1.00 18.63 C ATOM 1630 O ILE B 84 10.917 0.467 12.869 1.00 18.59 O ATOM 1631 CB ILE B 84 13.286 0.665 14.757 1.00 24.71 C ATOM 1632 CG1 ILE B 84 14.119 1.137 15.947 1.00 29.62 C ATOM 1633 CG2 ILE B 84 14.181 0.278 13.590 1.00 24.23 C ATOM 1634 CD1 ILE B 84 14.671 0.006 16.784 1.00 27.49 C ATOM 1635 H ILE B 84 10.593 1.168 15.497 1.00 0.00 H ATOM 1636 N ILE B 85 12.018 2.224 11.968 1.00 15.02 N ATOM 1637 CA ILE B 85 11.618 1.939 10.593 1.00 18.70 C ATOM 1638 C ILE B 85 12.794 1.270 9.901 1.00 20.58 C ATOM 1639 O ILE B 85 13.862 1.879 9.736 1.00 21.36 O ATOM 1640 CB ILE B 85 11.193 3.212 9.843 1.00 18.35 C ATOM 1641 CG1 ILE B 85 10.052 3.910 10.582 1.00 24.64 C ATOM 1642 CG2 ILE B 85 10.762 2.864 8.427 1.00 22.50 C ATOM 1643 CD1 ILE B 85 8.850 3.015 10.850 1.00 21.14 C ATOM 1644 H ILE B 85 12.585 3.075 12.159 1.00 0.00 H ATOM 1645 N GLY B 86 12.599 0.016 9.487 1.00 19.63 N ATOM 1646 CA GLY B 86 13.656 -0.768 8.894 1.00 23.07 C ATOM 1647 C GLY B 86 13.602 -0.782 7.378 1.00 18.77 C ATOM 1648 O GLY B 86 12.695 -0.245 6.751 1.00 17.41 O ATOM 1649 H GLY B 86 11.656 -0.409 9.595 1.00 0.00 H ATOM 1650 N ARG B 87 14.596 -1.459 6.795 1.00 19.37 N ATOM 1651 CA ARG B 87 14.759 -1.434 5.348 1.00 17.44 C ATOM 1652 C ARG B 87 13.526 -1.958 4.628 1.00 25.05 C ATOM 1653 O ARG B 87 13.190 -1.469 3.540 1.00 24.80 O ATOM 1654 CB ARG B 87 15.989 -2.249 4.948 1.00 20.57 C ATOM 1655 CG ARG B 87 17.306 -1.650 5.436 1.00 24.76 C ATOM 1656 CD ARG B 87 18.512 -2.453 4.926 1.00 21.73 C ATOM 1657 NE ARG B 87 18.551 -3.806 5.476 1.00 19.24 N ATOM 1658 CZ ARG B 87 18.255 -4.910 4.789 1.00 25.19 C ATOM 1659 NH1 ARG B 87 17.894 -4.841 3.514 1.00 22.86 N ATOM 1660 NH2 ARG B 87 18.325 -6.094 5.378 1.00 22.71 N ATOM 1661 HE ARG B 87 18.829 -3.916 6.472 1.00 0.00 H ATOM 1662 HH12 ARG B 87 17.666 -5.710 2.990 1.00 0.00 H ATOM 1663 HH11 ARG B 87 17.839 -3.918 3.038 1.00 0.00 H ATOM 1664 HH22 ARG B 87 18.094 -6.955 4.843 1.00 0.00 H ATOM 1665 HH21 ARG B 87 18.611 -6.162 6.376 1.00 0.00 H ATOM 1666 H ARG B 87 15.258 -2.008 7.379 1.00 0.00 H ATOM 1667 N ASN B 88 12.835 -2.943 5.213 1.00 21.69 N ATOM 1668 CA ASN B 88 11.639 -3.485 4.579 1.00 18.88 C ATOM 1669 C ASN B 88 10.646 -2.380 4.235 1.00 24.40 C ATOM 1670 O ASN B 88 9.902 -2.500 3.255 1.00 24.13 O ATOM 1671 CB ASN B 88 10.998 -4.544 5.490 1.00 21.42 C ATOM 1672 CG ASN B 88 10.174 -3.937 6.613 1.00 21.06 C ATOM 1673 OD1 ASN B 88 10.660 -3.106 7.381 1.00 22.70 O ATOM 1674 ND2 ASN B 88 8.915 -4.358 6.717 1.00 18.85 N ATOM 1675 HD22 ASN B 88 8.545 -5.062 6.047 1.00 0.00 H ATOM 1676 HD21 ASN B 88 8.302 -3.983 7.469 1.00 0.00 H ATOM 1677 H ASN B 88 13.153 -3.325 6.127 1.00 0.00 H ATOM 1678 N VAL B 89 10.641 -1.285 4.996 1.00 27.82 N ATOM 1679 CA VAL B 89 9.756 -0.160 4.701 1.00 26.48 C ATOM 1680 C VAL B 89 10.534 0.944 3.992 1.00 21.66 C ATOM 1681 O VAL B 89 9.994 1.635 3.125 1.00 21.35 O ATOM 1682 CB VAL B 89 9.094 0.384 5.982 1.00 20.49 C ATOM 1683 CG1 VAL B 89 8.403 1.713 5.716 1.00 28.09 C ATOM 1684 CG2 VAL B 89 8.114 -0.629 6.541 1.00 35.30 C ATOM 1685 H VAL B 89 11.279 -1.231 5.815 1.00 0.00 H ATOM 1686 N LEU B 90 11.813 1.112 4.339 1.00 22.69 N ATOM 1687 CA LEU B 90 12.601 2.179 3.734 1.00 23.59 C ATOM 1688 C LEU B 90 12.730 1.995 2.228 1.00 30.42 C ATOM 1689 O LEU B 90 12.801 2.985 1.491 1.00 26.34 O ATOM 1690 CB LEU B 90 13.981 2.244 4.377 1.00 20.79 C ATOM 1691 CG LEU B 90 14.024 2.563 5.874 1.00 15.58 C ATOM 1692 CD1 LEU B 90 15.466 2.433 6.385 1.00 20.71 C ATOM 1693 CD2 LEU B 90 13.480 3.941 6.162 1.00 20.23 C ATOM 1694 H LEU B 90 12.247 0.481 5.042 1.00 0.00 H ATOM 1695 N THR B 91 12.770 0.744 1.751 1.00 33.74 N ATOM 1696 CA THR B 91 12.789 0.504 0.310 1.00 32.95 C ATOM 1697 C THR B 91 11.496 0.980 -0.348 1.00 24.20 C ATOM 1698 O THR B 91 11.520 1.539 -1.447 1.00 37.28 O ATOM 1699 CB THR B 91 12.998 -0.984 0.016 1.00 30.39 C ATOM 1700 OG1 THR B 91 12.049 -1.746 0.762 1.00 25.14 O ATOM 1701 CG2 THR B 91 14.399 -1.423 0.389 1.00 28.69 C ATOM 1702 HG1 THR B 91 12.178 -1.576 1.729 1.00 0.00 H ATOM 1703 H THR B 91 12.788 -0.061 2.410 1.00 0.00 H ATOM 1704 N GLN B 92 10.356 0.767 0.312 1.00 25.55 N ATOM 1705 CA GLN B 92 9.072 1.064 -0.313 1.00 24.51 C ATOM 1706 C GLN B 92 8.844 2.560 -0.465 1.00 35.82 C ATOM 1707 O GLN B 92 8.097 2.979 -1.356 1.00 38.25 O ATOM 1708 CB GLN B 92 7.939 0.439 0.500 1.00 22.83 C ATOM 1709 CG GLN B 92 7.962 -1.081 0.507 1.00 29.16 C ATOM 1710 CD GLN B 92 6.722 -1.679 1.137 1.00 30.69 C ATOM 1711 OE1 GLN B 92 5.601 -1.289 0.824 1.00 25.83 O ATOM 1712 NE2 GLN B 92 6.923 -2.637 2.038 1.00 27.32 N ATOM 1713 HE22 GLN B 92 7.891 -2.936 2.272 1.00 0.00 H ATOM 1714 HE21 GLN B 92 6.112 -3.087 2.508 1.00 0.00 H ATOM 1715 H GLN B 92 10.383 0.386 1.279 1.00 0.00 H ATOM 1716 N ILE B 93 9.458 3.379 0.396 1.00 25.98 N ATOM 1717 CA ILE B 93 9.341 4.823 0.259 1.00 24.05 C ATOM 1718 C ILE B 93 10.488 5.420 -0.544 1.00 28.68 C ATOM 1719 O ILE B 93 10.563 6.648 -0.685 1.00 38.65 O ATOM 1720 CB ILE B 93 9.263 5.519 1.634 1.00 32.09 C ATOM 1721 CG1 ILE B 93 10.569 5.359 2.410 1.00 35.90 C ATOM 1722 CG2 ILE B 93 8.110 4.964 2.442 1.00 27.05 C ATOM 1723 CD1 ILE B 93 10.556 6.051 3.768 1.00 31.36 C ATOM 1724 H ILE B 93 10.025 2.980 1.171 1.00 0.00 H ATOM 1725 N GLY B 94 11.382 4.593 -1.072 1.00 27.44 N ATOM 1726 CA GLY B 94 12.443 5.079 -1.926 1.00 36.80 C ATOM 1727 C GLY B 94 13.587 5.748 -1.206 1.00 38.71 C ATOM 1728 O GLY B 94 14.211 6.653 -1.764 1.00 41.43 O ATOM 1729 H GLY B 94 11.318 3.575 -0.867 1.00 0.00 H ATOM 1730 N CYS B 95 13.891 5.322 0.015 1.00 33.82 N ATOM 1731 CA CYS B 95 14.957 5.936 0.788 1.00 30.86 C ATOM 1732 C CYS B 95 16.314 5.395 0.358 1.00 30.74 C ATOM 1733 O CYS B 95 16.461 4.208 0.040 1.00 36.28 O ATOM 1734 CB CYS B 95 14.745 5.679 2.282 1.00 35.93 C ATOM 1735 SG CYS B 95 15.817 6.668 3.375 1.00 33.61 S ATOM 1736 H CYS B 95 13.354 4.532 0.426 1.00 0.00 H ATOM 1737 N THR B 96 17.310 6.280 0.352 1.00 36.30 N ATOM 1738 CA THR B 96 18.665 5.918 -0.020 1.00 25.38 C ATOM 1739 C THR B 96 19.647 6.588 0.927 1.00 26.56 C ATOM 1740 O THR B 96 19.339 7.600 1.556 1.00 33.07 O ATOM 1741 CB THR B 96 18.987 6.322 -1.462 1.00 28.02 C ATOM 1742 OG1 THR B 96 18.924 7.745 -1.590 1.00 29.07 O ATOM 1743 CG2 THR B 96 18.005 5.678 -2.436 1.00 38.96 C ATOM 1744 HG1 THR B 96 18.013 8.056 -1.357 1.00 0.00 H ATOM 1745 H THR B 96 17.109 7.264 0.623 1.00 0.00 H ATOM 1746 N LEU B 97 20.834 5.997 1.030 1.00 26.75 N ATOM 1747 CA LEU B 97 21.981 6.620 1.678 1.00 32.57 C ATOM 1748 C LEU B 97 22.822 7.301 0.612 1.00 29.28 C ATOM 1749 O LEU B 97 22.943 6.792 -0.505 1.00 30.41 O ATOM 1750 CB LEU B 97 22.828 5.594 2.420 1.00 33.43 C ATOM 1751 CG LEU B 97 22.356 5.167 3.808 1.00 37.52 C ATOM 1752 CD1 LEU B 97 23.111 3.917 4.254 1.00 38.80 C ATOM 1753 CD2 LEU B 97 22.545 6.284 4.807 1.00 39.71 C ATOM 1754 H LEU B 97 20.949 5.044 0.629 1.00 0.00 H ATOM 1755 N ASN B 98 23.390 8.456 0.950 1.00 30.87 N ATOM 1756 CA ASN B 98 24.143 9.250 -0.013 1.00 36.04 C ATOM 1757 C ASN B 98 25.329 9.905 0.671 1.00 45.92 C ATOM 1758 O ASN B 98 25.154 10.641 1.649 1.00 30.67 O ATOM 1759 CB ASN B 98 23.254 10.323 -0.657 1.00 36.88 C ATOM 1760 CG ASN B 98 22.119 9.731 -1.470 1.00 37.88 C ATOM 1761 OD1 ASN B 98 22.331 9.237 -2.574 1.00 37.40 O ATOM 1762 ND2 ASN B 98 20.908 9.787 -0.931 1.00 37.50 N ATOM 1763 HD22 ASN B 98 20.776 10.215 0.008 1.00 0.00 H ATOM 1764 HD21 ASN B 98 20.091 9.403 -1.447 1.00 0.00 H ATOM 1765 H ASN B 98 23.294 8.801 1.926 1.00 0.00 H ATOM 1766 N PHE B 99 26.527 9.648 0.150 1.00 38.95 N ATOM 1767 CA PHE B 99 27.721 10.366 0.584 1.00 39.23 C ATOM 1768 C PHE B 99 28.785 10.346 -0.514 1.00 50.23 C ATOM 1769 O PHE B 99 29.818 11.009 -0.402 1.00 45.50 O ATOM 1770 CB PHE B 99 28.282 9.776 1.885 1.00 39.73 C ATOM 1771 CG PHE B 99 28.763 8.358 1.765 1.00 41.06 C ATOM 1772 CD1 PHE B 99 27.960 7.307 2.176 1.00 44.19 C ATOM 1773 CD2 PHE B 99 30.028 8.076 1.269 1.00 39.00 C ATOM 1774 CE1 PHE B 99 28.401 5.998 2.081 1.00 50.44 C ATOM 1775 CE2 PHE B 99 30.473 6.768 1.169 1.00 50.51 C ATOM 1776 CZ PHE B 99 29.661 5.730 1.578 1.00 44.84 C ATOM 1777 OXT PHE B 99 28.639 9.670 -1.535 1.00 48.02 O ATOM 1778 H PHE B 99 26.614 8.917 -0.585 1.00 0.00 H TER 1779 PHE B 99 HETATM 1780 O HOH 1 20.428 16.603 11.426 1.00 30.13 O HETATM 1781 O HOH 2 -6.680 3.088 15.513 1.00 30.67 O HETATM 1782 O HOH 3 4.031 -8.120 5.069 1.00 25.13 O HETATM 1783 O HOH 4 16.267 1.863 -0.859 1.00 31.57 O HETATM 1784 O HOH 5 12.880 -4.591 25.932 1.00 36.72 O HETATM 1785 O HOH 6 0.987 -13.241 7.102 1.00 46.06 O HETATM 1786 O HOH 7 -4.915 8.944 15.441 1.00 29.84 O HETATM 1787 O HOH 8 15.867 13.957 16.233 1.00 33.64 O HETATM 1788 O HOH 9 16.715 8.354 -2.966 1.00 31.43 O HETATM 1789 O HOH 10 4.261 -9.846 23.087 1.00 43.49 O HETATM 1790 O HOH 11 20.515 -3.260 7.431 1.00 28.19 O HETATM 1791 O HOH 12 14.006 -8.800 11.745 1.00 26.39 O HETATM 1792 O HOH 13 18.021 13.555 11.546 1.00 30.02 O HETATM 1793 O HOH 14 20.787 -5.205 9.538 1.00 22.49 O HETATM 1794 O HOH 15 18.591 -11.711 25.149 1.00 37.21 O HETATM 1795 O HOH 16 9.847 -8.300 5.983 1.00 28.91 O HETATM 1796 O HOH 17 -4.507 8.073 4.492 1.00 53.96 O HETATM 1797 O HOH 18 16.449 -13.947 15.096 1.00 39.71 O HETATM 1798 O HOH 19 25.161 -7.664 22.690 1.00 21.39 O HETATM 1799 O HOH 20 -2.400 0.561 9.094 1.00 32.27 O HETATM 1800 O HOH 21 7.129 -18.244 15.159 1.00 36.42 O HETATM 1801 O HOH 22 -0.479 7.623 18.831 1.00 40.95 O HETATM 1802 O HOH 23 8.048 13.906 10.268 1.00 34.27 O HETATM 1803 O HOH 24 9.850 5.831 19.739 1.00 39.68 O HETATM 1804 O HOH 25 14.612 -6.202 4.840 1.00 35.97 O HETATM 1805 O HOH 26 18.507 -6.022 11.594 1.00 27.22 O HETATM 1806 O HOH 27 -2.308 -14.927 15.842 1.00 28.16 O HETATM 1807 O HOH 28 11.408 -9.603 25.200 1.00 20.19 O HETATM 1808 O HOH 29 7.137 -0.766 23.997 1.00 37.76 O HETATM 1809 O HOH 30 7.896 -6.532 4.597 1.00 34.89 O HETATM 1810 O HOH 31 5.712 8.156 19.282 1.00 30.76 O HETATM 1811 O HOH 32 18.072 -10.844 14.780 1.00 35.22 O HETATM 1812 O HOH 33 26.224 15.003 15.994 1.00 29.15 O HETATM 1813 O HOH 34 -1.203 4.243 7.368 1.00 34.40 O HETATM 1814 O HOH 35 21.570 -7.751 14.542 1.00 37.04 O HETATM 1815 O HOH 36 17.140 5.719 23.309 1.00 40.58 O HETATM 1816 O HOH 37 -4.080 3.591 9.008 1.00 40.35 O HETATM 1817 O HOH 38 18.859 13.169 18.689 1.00 38.86 O HETATM 1818 O HOH 39 17.142 -8.124 3.187 1.00 44.07 O HETATM 1819 O HOH 40 21.655 5.503 23.106 1.00 37.71 O HETATM 1820 O HOH 41 3.465 14.805 4.218 1.00 51.00 O HETATM 1821 O HOH 42 -2.041 -0.072 22.918 1.00 47.90 O HETATM 1822 O HOH 43 10.484 16.990 0.145 1.00 51.94 O HETATM 1823 O HOH 44 10.345 -10.441 8.939 1.00 39.30 O HETATM 1824 O HOH 45 2.530 10.354 8.227 1.00 36.73 O HETATM 1825 O HOH 46 13.475 -11.044 26.032 1.00 42.88 O HETATM 1826 O HOH 47 18.168 -9.511 4.904 1.00 40.08 O HETATM 1827 O HOH 48 14.309 17.291 7.024 1.00 49.40 O HETATM 1828 O HOH 49 19.801 -11.220 7.487 1.00 62.61 O HETATM 1829 O HOH 50 9.250 1.789 -4.615 1.00 48.40 O HETATM 1830 O HOH 51 17.451 17.268 10.865 1.00 44.58 O HETATM 1831 O HOH 52 21.484 16.955 -3.171 1.00 51.68 O HETATM 1832 O HOH 53 16.000 14.950 11.742 1.00 27.34 O HETATM 1833 O HOH 54 19.387 19.119 5.000 1.00 44.68 O HETATM 1834 O HOH 55 8.199 4.219 21.715 1.00 41.10 O HETATM 1835 O HOH 56 25.494 10.792 -4.049 1.00 46.23 O HETATM 1836 O HOH 57 15.285 10.598 20.524 1.00 29.22 O HETATM 1837 O HOH 58 25.391 19.391 6.314 1.00 44.70 O HETATM 1838 O HOH 59 18.177 8.504 24.616 1.00 47.36 O HETATM 1839 O HOH 60 23.359 19.691 4.478 1.00 38.18 O HETATM 1840 O HOH 61 12.317 15.321 9.021 1.00 39.97 O HETATM 1841 O HOH 62 22.791 -9.575 14.555 1.00 48.58 O HETATM 1842 O HOH 63 2.903 -5.369 -1.812 1.00 55.94 O HETATM 1843 O HOH 64 17.114 17.180 -1.952 1.00 49.85 O HETATM 1844 O HOH 65 -3.734 12.092 9.168 1.00 39.94 O HETATM 1845 O HOH 66 1.753 -12.401 3.780 1.00 56.18 O HETATM 1846 O HOH 67 20.388 -12.066 14.812 1.00 41.13 O HETATM 1847 O HOH 68 10.793 10.918 20.060 1.00 44.43 O HETATM 1848 O HOH 69 1.338 12.758 9.015 1.00 36.07 O HETATM 1849 O HOH 70 12.251 8.313 19.886 1.00 36.10 O HETATM 1850 O HOH 71 -0.888 -9.395 -3.002 1.00 51.17 O HETATM 1851 O HOH 72 24.905 -6.608 1.809 1.00 38.49 O HETATM 1852 O HOH 73 40.647 -7.930 14.011 1.00 50.27 O HETATM 1853 O HOH 74 19.986 6.333 17.717 1.00 24.54 O HETATM 1854 O HOH 75 41.354 6.759 23.506 1.00 33.89 O HETATM 1855 O HOH 76 41.904 -10.310 13.008 1.00 44.03 O HETATM 1856 O HOH 77 15.496 -4.189 25.771 1.00 40.02 O HETATM 1857 O HOH 78 34.785 -8.130 12.629 1.00 39.77 O HETATM 1858 O HOH 79 29.175 -11.106 13.833 1.00 29.92 O HETATM 1859 O HOH 80 38.593 13.745 15.688 1.00 33.33 O HETATM 1860 O HOH 81 26.188 10.479 17.386 1.00 22.42 O HETATM 1861 O HOH 82 19.114 -6.789 28.848 1.00 35.02 O HETATM 1862 O HOH 83 30.654 -9.872 18.201 1.00 29.55 O HETATM 1863 O HOH 84 31.162 -5.783 0.861 1.00 37.04 O HETATM 1864 O HOH 85 22.909 -6.652 29.496 1.00 38.69 O HETATM 1865 O HOH 86 31.660 12.972 15.011 1.00 23.78 O HETATM 1866 O HOH 87 40.630 9.313 8.669 1.00 38.86 O HETATM 1867 O HOH 88 24.438 14.151 7.749 1.00 24.43 O HETATM 1868 O HOH 89 26.881 -4.134 0.750 1.00 38.99 O HETATM 1869 O HOH 90 23.780 7.643 22.605 1.00 47.98 O HETATM 1870 O HOH 91 29.395 -6.723 27.770 1.00 36.29 O HETATM 1871 O HOH 92 35.856 -4.869 24.482 1.00 33.55 O HETATM 1872 O HOH 93 20.113 7.776 15.258 1.00 17.78 O HETATM 1873 O HOH 94 20.768 -2.969 19.111 1.00 22.27 O HETATM 1874 O HOH 95 36.829 10.851 19.142 1.00 27.53 O HETATM 1875 O HOH 96 44.305 0.545 27.876 1.00 41.82 O HETATM 1876 O HOH 97 34.700 12.707 3.044 1.00 36.16 O HETATM 1877 O HOH 98 20.328 -2.373 -2.276 1.00 23.49 O HETATM 1878 O HOH 99 31.204 5.719 18.699 1.00 22.50 O HETATM 1879 O HOH 100 43.154 3.634 12.927 1.00 33.55 O HETATM 1880 O HOH 101 28.314 7.531 23.431 1.00 46.08 O HETATM 1881 O HOH 102 18.593 0.607 25.390 1.00 37.34 O HETATM 1882 O HOH 103 31.960 9.964 24.379 1.00 52.65 O HETATM 1883 O HOH 104 33.077 10.610 17.180 1.00 19.88 O HETATM 1884 O HOH 105 26.309 9.718 21.478 1.00 45.78 O HETATM 1885 O HOH 106 25.798 -11.752 14.621 1.00 35.04 O HETATM 1886 O HOH 107 21.667 -0.701 -6.185 1.00 44.27 O HETATM 1887 O HOH 108 35.663 13.304 5.373 1.00 40.53 O HETATM 1888 O HOH 109 30.278 -7.612 11.717 1.00 19.57 O HETATM 1889 O HOH 110 19.690 -1.382 -6.395 1.00 37.21 O HETATM 1890 O HOH 111 41.094 -8.281 8.369 1.00 44.00 O HETATM 1891 O HOH 112 23.097 0.426 -4.003 1.00 42.20 O HETATM 1892 O HOH 113 26.569 5.709 26.477 1.00 50.08 O HETATM 1893 O HOH 114 25.792 1.531 -4.594 1.00 38.38 O HETATM 1894 O HOH 115 32.580 -1.119 0.311 1.00 33.36 O HETATM 1895 O HOH 116 35.662 -5.977 14.511 1.00 39.67 O HETATM 1896 O HOH 117 24.659 12.836 17.797 1.00 33.92 O HETATM 1897 O HOH 118 25.910 16.079 3.330 1.00 42.43 O HETATM 1898 O HOH 119 14.850 -5.949 2.242 1.00 41.30 O HETATM 1899 O HOH 120 29.840 4.757 30.444 1.00 38.92 O HETATM 1900 O HOH 121 23.193 3.909 24.448 1.00 32.65 O HETATM 1901 O HOH 122 17.821 -9.192 0.948 1.00 44.54 O HETATM 1902 O HOH 123 34.890 -8.161 9.247 1.00 33.99 O HETATM 1903 O HOH 124 44.400 6.929 18.411 1.00 39.32 O HETATM 1904 O HOH 125 32.765 -9.840 19.357 1.00 37.73 O HETATM 1905 O HOH 126 42.817 -12.471 13.970 1.00 49.00 O HETATM 1906 O HOH 127 20.195 3.192 24.773 1.00 44.59 O HETATM 1907 O HOH 128 15.416 -7.071 26.549 1.00 37.71 O HETATM 1908 O HOH 129 21.651 13.391 18.967 1.00 46.83 O HETATM 1909 O HOH 130 23.463 12.583 19.695 1.00 43.23 O HETATM 1910 O HOH 131 21.470 -12.462 10.585 1.00 48.06 O HETATM 1911 O HOH 132 37.916 12.220 2.268 1.00 39.22 O HETATM 1912 O HOH 133 36.523 10.993 27.350 1.00 60.69 O HETATM 1913 O HOH 134 30.493 7.578 23.007 1.00 41.31 O HETATM 1914 O HOH 135 33.985 10.543 27.456 1.00 45.30 O HETATM 1915 O HOH 136 32.657 8.122 -3.979 1.00 51.11 O HETATM 1916 O HOH 137 34.847 -9.447 7.280 1.00 40.86 O HETATM 1917 O HOH 138 25.469 -9.186 7.002 1.00 35.82 O HETATM 1918 O HOH 139 36.261 -3.071 29.501 1.00 51.13 O HETATM 1919 O HOH 140 16.458 10.438 -4.457 1.00 40.63 O HETATM 1920 O HOH 141 35.563 -4.845 27.585 1.00 47.27 O HETATM 1921 O HOH 142 8.749 -2.779 -3.193 1.00 38.34 O HETATM 1922 O HOH 143 42.579 8.022 27.166 1.00 58.80 O HETATM 1923 O HOH 144 25.550 16.428 5.903 1.00 36.98 O HETATM 1924 O HOH 145 29.847 0.426 -1.304 1.00 50.90 O HETATM 1925 O HOH 146 32.646 6.408 33.609 1.00 45.21 O HETATM 1926 O HOH 147 40.339 14.676 5.228 1.00 37.54 O HETATM 1927 N1 MOL A 148 14.412 -6.054 12.624 1.00 -0.34 N HETATM 1928 C2 MOL A 148 15.406 -5.413 13.527 1.00 0.04 C HETATM 1929 C3 MOL A 148 15.288 -4.079 13.822 1.00 -0.04 C HETATM 1930 C4 MOL A 148 16.193 -3.481 14.660 1.00 -0.05 C HETATM 1931 C5 MOL A 148 17.231 -4.231 15.227 1.00 0.09 C HETATM 1932 C6 MOL A 148 17.354 -5.554 14.939 1.00 -0.05 C HETATM 1933 C7 MOL A 148 16.434 -6.161 14.084 1.00 -0.04 C HETATM 1934 H6 MOL A 148 16.522 -7.217 13.855 1.00 0.05 H HETATM 1935 H5 MOL A 148 18.162 -6.133 15.371 1.00 0.06 H HETATM 1936 S8 MOL A 148 18.437 -3.378 16.332 1.00 0.06 S HETATM 1937 O9 MOL A 148 17.774 -2.323 17.085 1.00 -0.15 O HETATM 1938 O10 MOL A 148 18.959 -4.263 17.402 1.00 -0.15 O HETATM 1939 N11 MOL A 148 19.678 -2.728 15.315 1.00 -0.23 N HETATM 1940 C12 MOL A 148 20.413 -3.711 14.500 1.00 0.03 C HETATM 1941 C13 MOL A 148 21.915 -3.421 14.421 1.00 -0.03 C HETATM 1942 C14 MOL A 148 22.623 -4.474 13.499 1.00 -0.06 C HETATM 1943 H10 MOL A 148 23.700 -4.254 13.451 1.00 0.02 H HETATM 1944 H11 MOL A 148 22.193 -4.424 12.488 1.00 0.02 H HETATM 1945 H12 MOL A 148 22.473 -5.482 13.912 1.00 0.02 H HETATM 1946 C15 MOL A 148 22.580 -3.363 15.807 1.00 -0.06 C HETATM 1947 H13 MOL A 148 22.064 -2.618 16.430 1.00 0.02 H HETATM 1948 H14 MOL A 148 23.637 -3.079 15.695 1.00 0.02 H HETATM 1949 H15 MOL A 148 22.515 -4.351 16.287 1.00 0.02 H HETATM 1950 H9 MOL A 148 22.037 -2.431 13.957 1.00 0.03 H HETATM 1951 H7 MOL A 148 20.000 -3.700 13.481 1.00 0.05 H HETATM 1952 H8 MOL A 148 20.272 -4.708 14.942 1.00 0.05 H HETATM 1953 C16 MOL A 148 19.349 -1.346 14.710 1.00 0.06 C HETATM 1954 C17 MOL A 148 20.300 -0.245 15.257 1.00 0.10 C HETATM 1955 O18 MOL A 148 20.194 0.875 14.459 1.00 -0.39 O HETATM 1956 H19 MOL A 148 20.439 0.652 13.569 1.00 0.21 H HETATM 1957 C19 MOL A 148 19.936 0.112 16.691 1.00 0.08 C HETATM 1958 N20 MOL A 148 20.894 1.121 17.134 1.00 -0.26 N HETATM 1959 C21 MOL A 148 21.968 0.845 18.083 1.00 0.32 C HETATM 1960 O22 MOL A 148 22.070 -0.234 18.589 1.00 -0.38 O HETATM 1961 O23 MOL A 148 22.837 1.892 18.362 1.00 -0.26 O HETATM 1962 C24 MOL A 148 23.556 1.827 19.573 1.00 0.12 C HETATM 1963 C25 MOL A 148 25.081 2.428 19.230 1.00 0.08 C HETATM 1964 O26 MOL A 148 24.884 3.765 19.167 1.00 -0.35 O HETATM 1965 C27 MOL A 148 23.688 4.065 20.157 1.00 0.16 C HETATM 1966 O28 MOL A 148 22.780 4.704 19.558 1.00 -0.35 O HETATM 1967 C29 MOL A 148 21.378 3.902 19.773 1.00 0.05 C HETATM 1968 C30 MOL A 148 21.616 2.838 20.501 1.00 -0.02 C HETATM 1969 C31 MOL A 148 23.095 2.636 20.514 1.00 0.04 C HETATM 1970 H30 MOL A 148 23.421 2.286 21.504 1.00 0.04 H HETATM 1971 H28 MOL A 148 21.119 1.961 20.061 1.00 0.03 H HETATM 1972 H29 MOL A 148 21.247 2.992 21.526 1.00 0.03 H HETATM 1973 H26 MOL A 148 20.969 3.600 18.797 1.00 0.06 H HETATM 1974 H27 MOL A 148 20.655 4.551 20.289 1.00 0.06 H HETATM 1975 H25 MOL A 148 24.030 4.608 21.051 1.00 0.09 H HETATM 1976 H23 MOL A 148 25.451 2.039 18.270 1.00 0.06 H HETATM 1977 H24 MOL A 148 25.794 2.172 20.028 1.00 0.06 H HETATM 1978 H22 MOL A 148 23.590 0.790 19.939 1.00 0.07 H HETATM 1979 H21 MOL A 148 20.810 2.048 16.769 1.00 0.19 H HETATM 1980 C32 MOL A 148 18.554 0.734 16.824 1.00 0.01 C HETATM 1981 C38 MOL A 148 18.275 1.225 18.245 1.00 -0.04 C HETATM 1982 C33 MOL A 148 17.958 0.327 19.238 1.00 -0.06 C HETATM 1983 C34 MOL A 148 17.697 0.782 20.538 1.00 -0.07 C HETATM 1984 C35 MOL A 148 17.755 2.152 20.832 1.00 -0.07 C HETATM 1985 C36 MOL A 148 18.058 3.050 19.838 1.00 -0.07 C HETATM 1986 C37 MOL A 148 18.327 2.602 18.540 1.00 -0.06 C HETATM 1987 H37 MOL A 148 18.575 3.314 17.761 1.00 0.06 H HETATM 1988 H36 MOL A 148 18.089 4.111 20.060 1.00 0.06 H HETATM 1989 H35 MOL A 148 17.561 2.501 21.840 1.00 0.06 H HETATM 1990 H34 MOL A 148 17.449 0.072 21.319 1.00 0.06 H HETATM 1991 H33 MOL A 148 17.910 -0.733 19.015 1.00 0.06 H HETATM 1992 H31 MOL A 148 17.799 -0.020 16.555 1.00 0.04 H HETATM 1993 H32 MOL A 148 18.482 1.588 16.134 1.00 0.04 H HETATM 1994 H20 MOL A 148 19.997 -0.788 17.320 1.00 0.06 H HETATM 1995 H18 MOL A 148 21.335 -0.616 15.231 1.00 0.06 H HETATM 1996 H16 MOL A 148 18.312 -1.082 14.965 1.00 0.05 H HETATM 1997 H17 MOL A 148 19.456 -1.400 13.617 1.00 0.05 H HETATM 1998 H4 MOL A 148 16.105 -2.424 14.885 1.00 0.06 H HETATM 1999 H3 MOL A 148 14.480 -3.498 13.393 1.00 0.05 H HETATM 2000 H1 MOL A 148 13.652 -5.493 12.214 1.00 0.17 H HETATM 2001 H2 MOL A 148 14.484 -7.059 12.409 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 882 883 888 889 890 CONECT 889 882 CONECT 890 882 CONECT 1927 1928 2000 2001 CONECT 1928 1927 1929 1933 CONECT 1929 1928 1930 1999 CONECT 1930 1929 1931 1998 CONECT 1931 1930 1932 1936 CONECT 1932 1931 1933 1935 CONECT 1933 1928 1932 1934 CONECT 1934 1933 CONECT 1935 1932 CONECT 1936 1931 1937 1938 1939 CONECT 1937 1936 CONECT 1938 1936 CONECT 1939 1936 1940 1953 CONECT 1940 1939 1941 1951 1952 CONECT 1941 1940 1942 1946 1950 CONECT 1942 1941 1943 1944 1945 CONECT 1943 1942 CONECT 1944 1942 CONECT 1945 1942 CONECT 1946 1941 1947 1948 1949 CONECT 1947 1946 CONECT 1948 1946 CONECT 1949 1946 CONECT 1950 1941 CONECT 1951 1940 CONECT 1952 1940 CONECT 1953 1939 1954 1996 1997 CONECT 1954 1953 1955 1957 1995 CONECT 1955 1954 1956 CONECT 1956 1955 CONECT 1957 1954 1958 1980 1994 CONECT 1958 1957 1959 1979 CONECT 1959 1958 1960 1961 CONECT 1960 1959 CONECT 1961 1959 1962 CONECT 1962 1961 1963 1969 1978 CONECT 1963 1962 1964 1976 1977 CONECT 1964 1963 1965 CONECT 1965 1964 1966 1969 1975 CONECT 1966 1965 1967 CONECT 1967 1966 1968 1973 1974 CONECT 1968 1967 1969 1971 1972 CONECT 1969 1962 1965 1968 1970 CONECT 1970 1969 CONECT 1971 1968 CONECT 1972 1968 CONECT 1973 1967 CONECT 1974 1967 CONECT 1975 1965 CONECT 1976 1963 CONECT 1977 1963 CONECT 1978 1962 CONECT 1979 1958 CONECT 1980 1957 1981 1992 1993 CONECT 1981 1980 1982 1986 CONECT 1982 1981 1983 1991 CONECT 1983 1982 1984 1990 CONECT 1984 1983 1985 1989 CONECT 1985 1984 1986 1988 CONECT 1986 1981 1985 1987 CONECT 1987 1986 CONECT 1988 1985 CONECT 1989 1984 CONECT 1990 1983 CONECT 1991 1982 CONECT 1992 1980 CONECT 1993 1980 CONECT 1994 1957 CONECT 1995 1954 CONECT 1996 1953 CONECT 1997 1953 CONECT 1998 1930 CONECT 1999 1929 CONECT 2000 1927 CONECT 2001 1927 MASTER 0 0 0 0 0 0 0 0 1999 2 81 16 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6oou
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2f80
RCSB PDB
PDBbind
017
2f81
RCSB PDB
PDBbind
017
2f8g
RCSB PDB
PDBbind
017
2hs1
RCSB PDB
PDBbind
017
2hs2
RCSB PDB
PDBbind
017
2idw
RCSB PDB
PDBbind
017
2ien
RCSB PDB
PDBbind
017
2ieo
RCSB PDB
PDBbind
017
3bvb
RCSB PDB
PDBbind
017
3cyw
RCSB PDB
PDBbind
017
3d1z
RCSB PDB
PDBbind
017
3d20
RCSB PDB
PDBbind
017
3ekt
RCSB PDB
PDBbind
017
3ggu
RCSB PDB
PDBbind
017
3lzs
RCSB PDB
PDBbind
017
3lzu
RCSB PDB
PDBbind
017
3lzv
RCSB PDB
PDBbind
017
3ogp
RCSB PDB
PDBbind
017
3pwm
RCSB PDB
PDBbind
017
3s53
RCSB PDB
PDBbind
017
3s54
RCSB PDB
PDBbind
017
3so9
RCSB PDB
PDBbind
017
3t3c
RCSB PDB
PDBbind
017
3tkw
RCSB PDB
PDBbind
017
3ttp
RCSB PDB
PDBbind
017
3u7s
RCSB PDB
PDBbind
017
4hla
RCSB PDB
PDBbind
017
4ll3
RCSB PDB
PDBbind
017
4q1w
RCSB PDB
PDBbind
017
4q1x
RCSB PDB
PDBbind
017
4q1y
RCSB PDB
PDBbind
017
5kqy
RCSB PDB
PDBbind
017
5kr1
RCSB PDB
PDBbind
017
6dgx
RCSB PDB
PDBbind
017
6dh0
RCSB PDB
PDBbind
017
6dh3
RCSB PDB
PDBbind
017
6dh6
RCSB PDB
PDBbind
017
6oot
RCSB PDB
PDBbind
017
6oos
RCSB PDB
PDBbind
017
Entry Information
PDB ID
6oou
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 L89V Mutant
Ligand Name
017
EC.Number
E.C.-.-.-.-
Resolution
2.13(Å)
Affinity (Kd/Ki/IC50)
Ki=0.005nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Biochemistry Vol. 58: pp. 3711-3726
Ligand Properties
Formula
C
2
7
H
3
7
N
3
O
7
S
Molecular Weight
547.664
Exact Mass
547.235
No. of atoms
75
No. of bonds
78
Polar Surface Area
148.8
LOGP Value
2.94 (
Computed with XLOGP3
)
4.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C
InChI String
InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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