Browse entries in the PDBbind-CN Database
HEADER 6G2S_COMPLEX COMPND 6G2S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 158 PHE ALA CYS LYS THR ALA ASN GLY THR ALA ILE PRO ILE SEQRES 2 A 158 GLY GLY GLY SER ALA ASN VAL TYR VAL ASN LEU ALA PRO SEQRES 3 A 158 VAL VAL ASN VAL GLY GLN ASN LEU VAL VAL ASP LEU SER SEQRES 4 A 158 THR GLN ILE PHE CYS HIS ASN ASP TYR PRO GLU THR ILE SEQRES 5 A 158 THR ASP TYR VAL THR LEU GLN ARG GLY SER ALA TYR GLY SEQRES 6 A 158 GLY VAL LEU SER ASN PHE SER GLY THR VAL LYS TYR SER SEQRES 7 A 158 GLY SER SER TYR PRO PHE PRO THR THR SER GLU THR PRO SEQRES 8 A 158 ARG VAL VAL TYR ASN SER ARG THR ASP LYS PRO TRP PRO SEQRES 9 A 158 VAL ALA LEU TYR LEU THR PRO VAL SER SER ALA GLY GLY SEQRES 10 A 158 VAL ALA ILE LYS ALA GLY SER LEU ILE ALA VAL LEU ILE SEQRES 11 A 158 LEU ARG GLN THR ASN ASN TYR ASN SER ASP ASP PHE GLN SEQRES 12 A 158 PHE VAL TRP ASN ILE TYR ALA ASN ASN ASP VAL VAL VAL SEQRES 13 A 158 PRO THR HET EJN A 232 44 SSBOND 1 CYS A 3 CYS A 44 ATOM 1 N PHE A 1 53.984 -5.055 -1.109 1.00 28.40 N ATOM 2 CA PHE A 1 52.903 -5.908 -0.538 1.00 25.18 C ATOM 3 C PHE A 1 53.443 -7.282 -0.169 1.00 22.01 C ATOM 4 O PHE A 1 54.129 -7.921 -0.964 1.00 21.26 O ATOM 5 CB PHE A 1 51.744 -6.046 -1.529 1.00 21.46 C ATOM 6 CG PHE A 1 50.571 -6.821 -0.990 1.00 19.24 C ATOM 7 CD1 PHE A 1 49.550 -6.176 -0.309 1.00 17.44 C ATOM 8 CD2 PHE A 1 50.486 -8.194 -1.171 1.00 18.41 C ATOM 9 CE1 PHE A 1 48.469 -6.884 0.183 1.00 19.12 C ATOM 10 CE2 PHE A 1 49.408 -8.907 -0.682 1.00 16.67 C ATOM 11 CZ PHE A 1 48.397 -8.252 -0.004 1.00 19.38 C ATOM 12 HN3 PHE A 1 54.366 -5.508 -1.964 1.00 0.00 H ATOM 13 HN2 PHE A 1 54.742 -4.942 -0.406 1.00 0.00 H ATOM 14 HN1 PHE A 1 53.595 -4.122 -1.354 1.00 0.00 H ATOM 15 N ALA A 2 53.128 -7.729 1.045 1.00 26.48 N ATOM 16 CA ALA A 2 53.559 -9.036 1.521 1.00 26.91 C ATOM 17 C ALA A 2 52.624 -9.472 2.640 1.00 24.74 C ATOM 18 O ALA A 2 51.894 -8.658 3.212 1.00 26.14 O ATOM 19 CB ALA A 2 55.017 -9.007 1.994 1.00 25.33 C ATOM 20 H ALA A 2 52.557 -7.127 1.672 1.00 0.00 H ATOM 21 N CYS A 3 52.659 -10.768 2.946 1.00 26.97 N ATOM 22 CA CYS A 3 51.713 -11.376 3.871 1.00 28.89 C ATOM 23 C CYS A 3 52.455 -12.322 4.805 1.00 28.23 C ATOM 24 O CYS A 3 53.571 -12.762 4.518 1.00 27.23 O ATOM 25 CB CYS A 3 50.613 -12.156 3.131 1.00 30.15 C ATOM 26 SG CYS A 3 49.615 -11.210 1.953 1.00 30.34 S ATOM 27 H CYS A 3 53.388 -11.367 2.509 1.00 0.00 H ATOM 28 N LYS A 4 51.824 -12.624 5.940 1.00 27.26 N ATOM 29 CA LYS A 4 52.373 -13.599 6.872 1.00 29.62 C ATOM 30 C LYS A 4 51.239 -14.350 7.557 1.00 30.08 C ATOM 31 O LYS A 4 50.097 -13.884 7.608 1.00 27.46 O ATOM 32 CB LYS A 4 53.286 -12.937 7.912 1.00 32.52 C ATOM 33 CG LYS A 4 52.607 -11.906 8.802 1.00 37.98 C ATOM 34 CD LYS A 4 53.536 -11.470 9.928 1.00 40.61 C ATOM 35 CE LYS A 4 52.775 -10.878 11.103 1.00 42.80 C ATOM 36 NZ LYS A 4 53.699 -10.287 12.113 1.00 45.03 N ATOM 37 HZ1 LYS A 4 54.336 -11.026 12.472 1.00 0.00 H ATOM 38 HZ2 LYS A 4 54.258 -9.531 11.669 1.00 0.00 H ATOM 39 HZ3 LYS A 4 53.145 -9.893 12.900 1.00 0.00 H ATOM 40 H LYS A 4 50.923 -12.155 6.164 1.00 0.00 H ATOM 41 N THR A 5 51.569 -15.526 8.084 1.00 28.83 N ATOM 42 CA THR A 5 50.619 -16.316 8.853 1.00 28.23 C ATOM 43 C THR A 5 50.708 -15.947 10.331 1.00 29.45 C ATOM 44 O THR A 5 51.565 -15.170 10.757 1.00 32.71 O ATOM 45 CB THR A 5 50.875 -17.815 8.679 1.00 29.70 C ATOM 46 OG1 THR A 5 52.126 -18.165 9.281 1.00 31.52 O ATOM 47 CG2 THR A 5 50.902 -18.199 7.207 1.00 28.04 C ATOM 48 HG1 THR A 5 52.286 -19.135 9.166 1.00 0.00 H ATOM 49 H THR A 5 52.533 -15.891 7.943 1.00 0.00 H ATOM 50 N ALA A 6 49.799 -16.522 11.120 1.00 27.81 N ATOM 51 CA ALA A 6 49.749 -16.208 12.543 1.00 30.91 C ATOM 52 C ALA A 6 51.011 -16.654 13.273 1.00 35.89 C ATOM 53 O ALA A 6 51.401 -16.027 14.264 1.00 35.16 O ATOM 54 CB ALA A 6 48.515 -16.850 13.176 1.00 29.88 C ATOM 55 H ALA A 6 49.121 -17.200 10.717 1.00 0.00 H ATOM 56 N ASN A 7 51.661 -17.724 12.812 1.00 40.24 N ATOM 57 CA ASN A 7 52.883 -18.205 13.445 1.00 45.75 C ATOM 58 C ASN A 7 54.146 -17.616 12.826 1.00 44.57 C ATOM 59 O ASN A 7 55.250 -18.034 13.189 1.00 47.87 O ATOM 60 CB ASN A 7 52.941 -19.737 13.401 1.00 49.14 C ATOM 61 CG ASN A 7 53.155 -20.285 12.000 1.00 50.48 C ATOM 62 OD1 ASN A 7 53.283 -19.536 11.032 1.00 53.21 O ATOM 63 ND2 ASN A 7 53.199 -21.607 11.890 1.00 51.21 N ATOM 64 HD22 ASN A 7 53.086 -22.203 12.735 1.00 0.00 H ATOM 65 HD21 ASN A 7 53.346 -22.047 10.959 1.00 0.00 H ATOM 66 H ASN A 7 51.287 -18.227 11.982 1.00 0.00 H ATOM 67 N GLY A 8 54.012 -16.662 11.909 1.00 39.13 N ATOM 68 CA GLY A 8 55.146 -15.933 11.382 1.00 37.06 C ATOM 69 C GLY A 8 55.670 -16.378 10.033 1.00 36.23 C ATOM 70 O GLY A 8 56.694 -15.847 9.589 1.00 37.40 O ATOM 71 H GLY A 8 53.060 -16.432 11.559 1.00 0.00 H ATOM 72 N THR A 9 55.013 -17.324 9.364 1.00 33.14 N ATOM 73 CA THR A 9 55.444 -17.713 8.027 1.00 29.70 C ATOM 74 C THR A 9 55.077 -16.624 7.031 1.00 29.29 C ATOM 75 O THR A 9 53.924 -16.188 6.966 1.00 32.18 O ATOM 76 CB THR A 9 54.819 -19.042 7.608 1.00 31.24 C ATOM 77 OG1 THR A 9 55.095 -20.041 8.597 1.00 33.44 O ATOM 78 CG2 THR A 9 55.378 -19.489 6.255 1.00 31.04 C ATOM 79 HG1 THR A 9 54.713 -19.758 9.465 1.00 0.00 H ATOM 80 H THR A 9 54.189 -17.787 9.797 1.00 0.00 H ATOM 81 N ALA A 10 56.058 -16.196 6.246 1.00 28.36 N ATOM 82 CA ALA A 10 55.893 -15.099 5.308 1.00 28.37 C ATOM 83 C ALA A 10 55.803 -15.600 3.874 1.00 27.58 C ATOM 84 O ALA A 10 56.455 -16.580 3.501 1.00 28.87 O ATOM 85 CB ALA A 10 57.062 -14.119 5.422 1.00 26.08 C ATOM 86 H ALA A 10 56.984 -16.666 6.305 1.00 0.00 H ATOM 87 N ILE A 11 54.966 -14.940 3.087 1.00 27.71 N ATOM 88 CA ILE A 11 55.094 -14.927 1.633 1.00 25.45 C ATOM 89 C ILE A 11 55.544 -13.522 1.246 1.00 25.47 C ATOM 90 O ILE A 11 54.808 -12.558 1.495 1.00 26.80 O ATOM 91 CB ILE A 11 53.786 -15.305 0.924 1.00 25.09 C ATOM 92 CG1 ILE A 11 53.273 -16.651 1.445 1.00 23.32 C ATOM 93 CG2 ILE A 11 54.017 -15.363 -0.586 1.00 25.81 C ATOM 94 CD1 ILE A 11 51.953 -17.092 0.844 1.00 23.73 C ATOM 95 H ILE A 11 54.185 -14.409 3.523 1.00 0.00 H ATOM 96 N PRO A 12 56.725 -13.349 0.666 1.00 27.00 N ATOM 97 CA PRO A 12 57.282 -12.008 0.484 1.00 28.51 C ATOM 98 C PRO A 12 56.760 -11.339 -0.782 1.00 28.40 C ATOM 99 O PRO A 12 55.928 -11.877 -1.511 1.00 30.36 O ATOM 100 CB PRO A 12 58.782 -12.281 0.390 1.00 31.90 C ATOM 101 CG PRO A 12 58.844 -13.591 -0.320 1.00 29.42 C ATOM 102 CD PRO A 12 57.637 -14.382 0.140 1.00 26.59 C ATOM 103 N ILE A 13 57.272 -10.131 -1.020 1.00 26.91 N ATOM 104 CA ILE A 13 56.987 -9.397 -2.244 1.00 28.46 C ATOM 105 C ILE A 13 57.186 -10.313 -3.440 1.00 28.46 C ATOM 106 O ILE A 13 58.188 -11.031 -3.530 1.00 28.56 O ATOM 107 CB ILE A 13 57.891 -8.153 -2.325 1.00 26.80 C ATOM 108 CG1 ILE A 13 57.462 -7.114 -1.289 1.00 28.84 C ATOM 109 CG2 ILE A 13 57.867 -7.539 -3.716 1.00 25.10 C ATOM 110 CD1 ILE A 13 58.594 -6.218 -0.832 1.00 32.59 C ATOM 111 H ILE A 13 57.895 -9.699 -0.308 1.00 0.00 H ATOM 112 N GLY A 14 56.229 -10.290 -4.369 1.00 26.13 N ATOM 113 CA GLY A 14 56.287 -11.112 -5.560 1.00 27.90 C ATOM 114 C GLY A 14 55.446 -12.368 -5.501 1.00 28.19 C ATOM 115 O GLY A 14 55.315 -13.054 -6.522 1.00 27.58 O ATOM 116 H GLY A 14 55.413 -9.660 -4.233 1.00 0.00 H ATOM 117 N GLY A 15 54.888 -12.694 -4.344 1.00 27.47 N ATOM 118 CA GLY A 15 54.033 -13.852 -4.218 1.00 27.72 C ATOM 119 C GLY A 15 54.785 -15.101 -3.814 1.00 25.75 C ATOM 120 O GLY A 15 55.987 -15.104 -3.530 1.00 26.39 O ATOM 121 H GLY A 15 55.070 -12.103 -3.508 1.00 0.00 H ATOM 122 N GLY A 16 54.040 -16.188 -3.792 1.00 29.31 N ATOM 123 CA GLY A 16 54.557 -17.477 -3.393 1.00 27.99 C ATOM 124 C GLY A 16 53.433 -18.341 -2.846 1.00 30.09 C ATOM 125 O GLY A 16 52.271 -18.164 -3.206 1.00 30.15 O ATOM 126 H GLY A 16 53.041 -16.115 -4.073 1.00 0.00 H ATOM 127 N SER A 17 53.810 -19.268 -1.969 1.00 30.47 N ATOM 128 CA SER A 17 52.861 -20.187 -1.360 1.00 26.70 C ATOM 129 C SER A 17 53.270 -20.477 0.075 1.00 25.99 C ATOM 130 O SER A 17 54.445 -20.377 0.436 1.00 26.78 O ATOM 131 CB SER A 17 52.768 -21.499 -2.145 1.00 24.09 C ATOM 132 OG SER A 17 53.967 -22.243 -2.025 1.00 27.70 O ATOM 133 HG SER A 17 54.130 -22.452 -1.071 1.00 0.00 H ATOM 134 H SER A 17 54.815 -19.338 -1.711 1.00 0.00 H ATOM 135 N ALA A 18 52.281 -20.807 0.902 1.00 24.19 N ATOM 136 CA ALA A 18 52.547 -21.170 2.284 1.00 20.48 C ATOM 137 C ALA A 18 51.478 -22.135 2.773 1.00 23.60 C ATOM 138 O ALA A 18 50.390 -22.239 2.199 1.00 17.93 O ATOM 139 CB ALA A 18 52.596 -19.938 3.194 1.00 21.08 C ATOM 140 H ALA A 18 51.301 -20.805 0.553 1.00 0.00 H ATOM 141 N ASN A 19 51.809 -22.838 3.851 1.00 25.95 N ATOM 142 CA ASN A 19 50.901 -23.764 4.510 1.00 27.04 C ATOM 143 C ASN A 19 50.336 -23.100 5.757 1.00 24.94 C ATOM 144 O ASN A 19 51.062 -22.433 6.499 1.00 26.76 O ATOM 145 CB ASN A 19 51.614 -25.064 4.887 1.00 28.93 C ATOM 146 CG ASN A 19 52.014 -25.885 3.677 1.00 26.42 C ATOM 147 OD1 ASN A 19 51.380 -25.810 2.627 1.00 24.56 O ATOM 148 ND2 ASN A 19 53.073 -26.671 3.819 1.00 32.79 N ATOM 149 HD22 ASN A 19 53.579 -26.702 4.727 1.00 0.00 H ATOM 150 HD21 ASN A 19 53.397 -27.256 3.022 1.00 0.00 H ATOM 151 H ASN A 19 52.765 -22.720 4.243 1.00 0.00 H ATOM 152 N VAL A 20 49.038 -23.285 5.982 1.00 28.75 N ATOM 153 CA VAL A 20 48.345 -22.703 7.125 1.00 27.87 C ATOM 154 C VAL A 20 47.620 -23.824 7.853 1.00 28.56 C ATOM 155 O VAL A 20 46.782 -24.515 7.259 1.00 27.81 O ATOM 156 CB VAL A 20 47.354 -21.603 6.706 1.00 28.82 C ATOM 157 CG1 VAL A 20 46.804 -20.891 7.933 1.00 30.40 C ATOM 158 CG2 VAL A 20 48.021 -20.604 5.769 1.00 29.92 C ATOM 159 H VAL A 20 48.495 -23.869 5.315 1.00 0.00 H ATOM 160 N TYR A 21 47.940 -24.005 9.129 1.00 28.45 N ATOM 161 CA TYR A 21 47.350 -25.048 9.957 1.00 33.39 C ATOM 162 C TYR A 21 46.392 -24.390 10.941 1.00 27.01 C ATOM 163 O TYR A 21 46.813 -23.579 11.773 1.00 30.12 O ATOM 164 CB TYR A 21 48.434 -25.845 10.683 1.00 34.01 C ATOM 165 CG TYR A 21 49.085 -26.895 9.807 1.00 38.28 C ATOM 166 CD1 TYR A 21 50.168 -26.580 8.996 1.00 41.83 C ATOM 167 CD2 TYR A 21 48.601 -28.195 9.776 1.00 41.19 C ATOM 168 CE1 TYR A 21 50.761 -27.538 8.189 1.00 42.30 C ATOM 169 CE2 TYR A 21 49.185 -29.158 8.973 1.00 42.81 C ATOM 170 CZ TYR A 21 50.263 -28.823 8.180 1.00 44.33 C ATOM 171 OH TYR A 21 50.846 -29.779 7.379 1.00 47.57 O ATOM 172 HH TYR A 21 51.600 -29.375 6.880 1.00 0.00 H ATOM 173 H TYR A 21 48.645 -23.372 9.557 1.00 0.00 H ATOM 174 N VAL A 22 45.108 -24.729 10.836 1.00 22.97 N ATOM 175 CA VAL A 22 44.046 -24.037 11.556 1.00 22.99 C ATOM 176 C VAL A 22 43.368 -24.999 12.519 1.00 27.00 C ATOM 177 O VAL A 22 43.104 -26.158 12.177 1.00 22.98 O ATOM 178 CB VAL A 22 43.000 -23.434 10.596 1.00 19.63 C ATOM 179 CG1 VAL A 22 43.628 -22.362 9.740 1.00 24.75 C ATOM 180 CG2 VAL A 22 42.369 -24.520 9.731 1.00 21.40 C ATOM 181 H VAL A 22 44.852 -25.522 10.213 1.00 0.00 H ATOM 182 N ASN A 23 43.061 -24.502 13.712 1.00 26.56 N ATOM 183 CA ASN A 23 42.243 -25.245 14.656 1.00 26.97 C ATOM 184 C ASN A 23 40.779 -25.126 14.252 1.00 25.37 C ATOM 185 O ASN A 23 40.321 -24.059 13.831 1.00 26.40 O ATOM 186 CB ASN A 23 42.444 -24.717 16.076 1.00 27.84 C ATOM 187 CG ASN A 23 43.830 -25.009 16.612 1.00 30.63 C ATOM 188 OD1 ASN A 23 44.350 -26.116 16.459 1.00 28.74 O ATOM 189 ND2 ASN A 23 44.438 -24.012 17.247 1.00 31.34 N ATOM 190 HD22 ASN A 23 43.960 -23.094 17.352 1.00 0.00 H ATOM 191 HD21 ASN A 23 45.392 -24.150 17.639 1.00 0.00 H ATOM 192 H ASN A 23 43.414 -23.560 13.976 1.00 0.00 H ATOM 193 N LEU A 24 40.049 -26.228 14.374 1.00 23.52 N ATOM 194 CA LEU A 24 38.669 -26.307 13.922 1.00 20.08 C ATOM 195 C LEU A 24 37.785 -26.780 15.061 1.00 21.07 C ATOM 196 O LEU A 24 38.209 -27.575 15.905 1.00 26.43 O ATOM 197 CB LEU A 24 38.525 -27.262 12.732 1.00 16.99 C ATOM 198 CG LEU A 24 39.325 -26.901 11.482 1.00 19.02 C ATOM 199 CD1 LEU A 24 39.277 -28.042 10.480 1.00 15.53 C ATOM 200 CD2 LEU A 24 38.778 -25.622 10.869 1.00 18.43 C ATOM 201 H LEU A 24 40.481 -27.068 14.810 1.00 0.00 H ATOM 202 N ALA A 25 36.556 -26.276 15.086 1.00 18.50 N ATOM 203 CA ALA A 25 35.589 -26.765 16.050 1.00 20.96 C ATOM 204 C ALA A 25 35.537 -28.290 15.957 1.00 18.81 C ATOM 205 O ALA A 25 35.258 -28.827 14.874 1.00 18.81 O ATOM 206 CB ALA A 25 34.209 -26.169 15.786 1.00 19.44 C ATOM 207 H ALA A 25 36.287 -25.530 14.413 1.00 0.00 H ATOM 208 N PRO A 26 35.813 -29.018 17.043 1.00 15.09 N ATOM 209 CA PRO A 26 35.940 -30.480 16.923 1.00 17.41 C ATOM 210 C PRO A 26 34.616 -31.197 16.737 1.00 22.10 C ATOM 211 O PRO A 26 34.618 -32.354 16.300 1.00 25.75 O ATOM 212 CB PRO A 26 36.622 -30.891 18.235 1.00 15.34 C ATOM 213 CG PRO A 26 36.391 -29.766 19.178 1.00 17.40 C ATOM 214 CD PRO A 26 36.254 -28.524 18.357 1.00 15.30 C ATOM 215 N VAL A 27 33.495 -30.554 17.046 1.00 17.61 N ATOM 216 CA VAL A 27 32.172 -31.151 16.916 1.00 19.23 C ATOM 217 C VAL A 27 31.264 -30.159 16.211 1.00 18.00 C ATOM 218 O VAL A 27 31.151 -29.002 16.631 1.00 20.69 O ATOM 219 CB VAL A 27 31.576 -31.557 18.279 1.00 18.48 C ATOM 220 CG1 VAL A 27 30.160 -32.102 18.106 1.00 19.91 C ATOM 221 CG2 VAL A 27 32.439 -32.616 18.924 1.00 17.69 C ATOM 222 H VAL A 27 33.565 -29.578 17.398 1.00 0.00 H ATOM 223 N VAL A 28 30.632 -30.609 15.135 1.00 26.64 N ATOM 224 CA VAL A 28 29.683 -29.806 14.381 1.00 30.25 C ATOM 225 C VAL A 28 28.442 -30.661 14.199 1.00 28.77 C ATOM 226 O VAL A 28 28.489 -31.692 13.520 1.00 30.74 O ATOM 227 CB VAL A 28 30.244 -29.362 13.019 1.00 28.24 C ATOM 228 CG1 VAL A 28 29.235 -28.491 12.282 1.00 26.76 C ATOM 229 CG2 VAL A 28 31.553 -28.612 13.207 1.00 29.12 C ATOM 230 H VAL A 28 30.824 -31.580 14.816 1.00 0.00 H ATOM 231 N ASN A 29 27.337 -30.233 14.796 1.00 32.50 N ATOM 232 CA ASN A 29 26.090 -30.964 14.667 1.00 38.96 C ATOM 233 C ASN A 29 25.392 -30.558 13.380 1.00 39.55 C ATOM 234 O ASN A 29 25.594 -29.458 12.859 1.00 41.52 O ATOM 235 CB ASN A 29 25.176 -30.702 15.864 1.00 38.30 C ATOM 236 CG ASN A 29 25.749 -31.234 17.166 1.00 39.83 C ATOM 237 OD1 ASN A 29 25.860 -32.444 17.361 1.00 41.61 O ATOM 238 ND2 ASN A 29 26.107 -30.328 18.069 1.00 40.02 N ATOM 239 HD22 ASN A 29 25.996 -29.315 17.862 1.00 0.00 H ATOM 240 HD21 ASN A 29 26.499 -30.632 18.983 1.00 0.00 H ATOM 241 H ASN A 29 27.365 -29.362 15.364 1.00 0.00 H ATOM 242 N VAL A 30 24.567 -31.465 12.861 1.00 43.22 N ATOM 243 CA VAL A 30 23.717 -31.117 11.734 1.00 46.96 C ATOM 244 C VAL A 30 22.917 -29.878 12.095 1.00 42.57 C ATOM 245 O VAL A 30 22.371 -29.774 13.198 1.00 41.40 O ATOM 246 CB VAL A 30 22.806 -32.299 11.357 1.00 50.77 C ATOM 247 CG1 VAL A 30 22.015 -31.974 10.097 1.00 50.15 C ATOM 248 CG2 VAL A 30 23.628 -33.571 11.150 1.00 50.01 C ATOM 249 H VAL A 30 24.531 -32.424 13.262 1.00 0.00 H ATOM 250 N GLY A 31 22.864 -28.921 11.169 1.00 41.97 N ATOM 251 CA GLY A 31 22.240 -27.643 11.397 1.00 37.64 C ATOM 252 C GLY A 31 23.206 -26.530 11.758 1.00 35.39 C ATOM 253 O GLY A 31 22.912 -25.359 11.493 1.00 36.46 O ATOM 254 H GLY A 31 23.293 -29.105 10.240 1.00 0.00 H ATOM 255 N GLN A 32 24.346 -26.865 12.356 1.00 29.20 N ATOM 256 CA GLN A 32 25.358 -25.877 12.699 1.00 26.86 C ATOM 257 C GLN A 32 26.290 -25.598 11.525 1.00 27.31 C ATOM 258 O GLN A 32 26.396 -26.377 10.574 1.00 29.48 O ATOM 259 CB GLN A 32 26.184 -26.329 13.904 1.00 24.50 C ATOM 260 CG GLN A 32 25.419 -26.354 15.212 1.00 25.11 C ATOM 261 CD GLN A 32 26.313 -26.656 16.402 1.00 27.11 C ATOM 262 OE1 GLN A 32 27.120 -27.588 16.371 1.00 27.92 O ATOM 263 NE2 GLN A 32 26.182 -25.857 17.454 1.00 24.51 N ATOM 264 HE22 GLN A 32 25.488 -25.083 17.436 1.00 0.00 H ATOM 265 HE21 GLN A 32 26.774 -26.005 18.296 1.00 0.00 H ATOM 266 H GLN A 32 24.520 -27.864 12.586 1.00 0.00 H ATOM 267 N ASN A 33 26.974 -24.461 11.614 1.00 31.01 N ATOM 268 CA ASN A 33 28.005 -24.068 10.666 1.00 33.43 C ATOM 269 C ASN A 33 29.378 -24.426 11.214 1.00 30.43 C ATOM 270 O ASN A 33 29.636 -24.284 12.413 1.00 28.09 O ATOM 271 CB ASN A 33 27.977 -22.561 10.398 1.00 32.49 C ATOM 272 CG ASN A 33 26.879 -22.146 9.443 1.00 33.66 C ATOM 273 OD1 ASN A 33 26.458 -22.916 8.581 1.00 35.74 O ATOM 274 ND2 ASN A 33 26.429 -20.904 9.578 1.00 33.40 N ATOM 275 HD22 ASN A 33 26.815 -20.289 10.322 1.00 0.00 H ATOM 276 HD21 ASN A 33 25.690 -20.546 8.939 1.00 0.00 H ATOM 277 H ASN A 33 26.760 -23.819 12.403 1.00 0.00 H ATOM 278 N LEU A 34 30.256 -24.886 10.332 1.00 25.86 N ATOM 279 CA LEU A 34 31.682 -24.917 10.611 1.00 24.71 C ATOM 280 C LEU A 34 32.285 -23.666 9.990 1.00 25.28 C ATOM 281 O LEU A 34 32.157 -23.448 8.780 1.00 19.61 O ATOM 282 CB LEU A 34 32.347 -26.167 10.038 1.00 22.43 C ATOM 283 CG LEU A 34 33.879 -26.178 10.145 1.00 26.10 C ATOM 284 CD1 LEU A 34 34.338 -26.153 11.602 1.00 26.81 C ATOM 285 CD2 LEU A 34 34.475 -27.355 9.395 1.00 22.42 C ATOM 286 H LEU A 34 29.914 -25.235 9.414 1.00 0.00 H ATOM 287 N VAL A 35 32.934 -22.849 10.812 1.00 24.94 N ATOM 288 CA VAL A 35 33.540 -21.603 10.361 1.00 24.21 C ATOM 289 C VAL A 35 35.043 -21.810 10.330 1.00 24.52 C ATOM 290 O VAL A 35 35.655 -22.128 11.356 1.00 27.04 O ATOM 291 CB VAL A 35 33.173 -20.420 11.270 1.00 28.57 C ATOM 292 CG1 VAL A 35 33.664 -19.113 10.657 1.00 27.20 C ATOM 293 CG2 VAL A 35 31.668 -20.367 11.517 1.00 30.16 C ATOM 294 H VAL A 35 33.013 -23.109 11.816 1.00 0.00 H ATOM 295 N VAL A 36 35.639 -21.622 9.156 1.00 23.77 N ATOM 296 CA VAL A 36 37.089 -21.598 9.040 1.00 23.91 C ATOM 297 C VAL A 36 37.464 -20.152 8.759 1.00 23.83 C ATOM 298 O VAL A 36 37.475 -19.712 7.604 1.00 26.24 O ATOM 299 CB VAL A 36 37.595 -22.550 7.939 1.00 25.35 C ATOM 300 CG1 VAL A 36 39.098 -22.725 8.044 1.00 21.79 C ATOM 301 CG2 VAL A 36 36.891 -23.902 8.031 1.00 25.62 C ATOM 302 H VAL A 36 35.057 -21.490 8.304 1.00 0.00 H ATOM 303 N ASP A 37 37.768 -19.405 9.814 1.00 25.29 N ATOM 304 CA ASP A 37 38.010 -17.970 9.707 1.00 26.96 C ATOM 305 C ASP A 37 39.507 -17.754 9.551 1.00 28.26 C ATOM 306 O ASP A 37 40.269 -17.868 10.514 1.00 28.33 O ATOM 307 CB ASP A 37 37.457 -17.230 10.919 1.00 28.16 C ATOM 308 CG ASP A 37 37.473 -15.726 10.734 1.00 30.33 C ATOM 309 OD1 ASP A 37 38.027 -15.262 9.718 1.00 31.74 O ATOM 310 OD2 ASP A 37 36.920 -15.007 11.593 1.00 36.01 O ATOM 311 H ASP A 37 37.836 -19.858 10.748 1.00 0.00 H ATOM 312 N LEU A 38 39.928 -17.436 8.330 1.00 29.66 N ATOM 313 CA LEU A 38 41.331 -17.170 8.049 1.00 28.91 C ATOM 314 C LEU A 38 41.746 -15.746 8.393 1.00 25.20 C ATOM 315 O LEU A 38 42.942 -15.443 8.342 1.00 29.95 O ATOM 316 CB LEU A 38 41.629 -17.455 6.571 1.00 31.42 C ATOM 317 CG LEU A 38 41.622 -18.913 6.084 1.00 31.37 C ATOM 318 CD1 LEU A 38 42.280 -19.869 7.079 1.00 31.81 C ATOM 319 CD2 LEU A 38 40.205 -19.381 5.761 1.00 30.43 C ATOM 320 H LEU A 38 39.236 -17.376 7.556 1.00 0.00 H ATOM 321 N SER A 39 40.802 -14.866 8.739 1.00 23.67 N ATOM 322 CA SER A 39 41.166 -13.494 9.069 1.00 27.07 C ATOM 323 C SER A 39 42.010 -13.416 10.333 1.00 26.61 C ATOM 324 O SER A 39 42.711 -12.422 10.535 1.00 27.37 O ATOM 325 CB SER A 39 39.915 -12.627 9.233 1.00 24.63 C ATOM 326 OG SER A 39 39.199 -12.966 10.408 1.00 25.47 O ATOM 327 HG SER A 39 38.920 -13.915 10.361 1.00 0.00 H ATOM 328 H SER A 39 39.805 -15.161 8.773 1.00 0.00 H ATOM 329 N THR A 40 41.974 -14.439 11.179 1.00 25.95 N ATOM 330 CA THR A 40 42.872 -14.509 12.323 1.00 26.30 C ATOM 331 C THR A 40 44.157 -15.261 11.999 1.00 30.08 C ATOM 332 O THR A 40 45.031 -15.369 12.866 1.00 30.47 O ATOM 333 CB THR A 40 42.170 -15.172 13.514 1.00 24.22 C ATOM 334 OG1 THR A 40 41.689 -16.467 13.135 1.00 29.08 O ATOM 335 CG2 THR A 40 41.002 -14.316 13.990 1.00 24.75 C ATOM 336 HG1 THR A 40 42.451 -17.030 12.849 1.00 0.00 H ATOM 337 H THR A 40 41.290 -15.206 11.021 1.00 0.00 H ATOM 338 N GLN A 41 44.292 -15.776 10.773 1.00 26.52 N ATOM 339 CA GLN A 41 45.431 -16.595 10.390 1.00 28.57 C ATOM 340 C GLN A 41 46.297 -15.990 9.296 1.00 31.14 C ATOM 341 O GLN A 41 47.474 -16.352 9.206 1.00 30.26 O ATOM 342 CB GLN A 41 44.958 -17.972 9.893 1.00 29.81 C ATOM 343 CG GLN A 41 44.025 -18.715 10.833 1.00 34.52 C ATOM 344 CD GLN A 41 44.633 -18.966 12.198 1.00 35.48 C ATOM 345 OE1 GLN A 41 44.078 -18.562 13.220 1.00 39.47 O ATOM 346 NE2 GLN A 41 45.783 -19.631 12.223 1.00 34.06 N ATOM 347 HE22 GLN A 41 46.216 -19.954 11.334 1.00 0.00 H ATOM 348 HE21 GLN A 41 46.250 -19.829 13.131 1.00 0.00 H ATOM 349 H GLN A 41 43.554 -15.584 10.066 1.00 0.00 H ATOM 350 N ILE A 42 45.763 -15.094 8.467 1.00 30.19 N ATOM 351 CA ILE A 42 46.487 -14.552 7.323 1.00 28.10 C ATOM 352 C ILE A 42 46.411 -13.032 7.374 1.00 27.76 C ATOM 353 O ILE A 42 45.319 -12.462 7.473 1.00 28.43 O ATOM 354 CB ILE A 42 45.920 -15.089 5.994 1.00 30.41 C ATOM 355 CG1 ILE A 42 45.955 -16.623 5.993 1.00 26.54 C ATOM 356 CG2 ILE A 42 46.711 -14.547 4.810 1.00 29.41 C ATOM 357 CD1 ILE A 42 45.186 -17.255 4.857 1.00 29.11 C ATOM 358 H ILE A 42 44.791 -14.768 8.643 1.00 0.00 H ATOM 359 N PHE A 43 47.570 -12.381 7.281 1.00 25.09 N ATOM 360 CA PHE A 43 47.686 -10.937 7.409 1.00 26.37 C ATOM 361 C PHE A 43 48.576 -10.406 6.291 1.00 28.09 C ATOM 362 O PHE A 43 49.512 -11.081 5.856 1.00 28.87 O ATOM 363 CB PHE A 43 48.277 -10.554 8.779 1.00 26.67 C ATOM 364 CG PHE A 43 47.518 -11.114 9.956 1.00 23.14 C ATOM 365 CD1 PHE A 43 47.733 -12.417 10.382 1.00 22.37 C ATOM 366 CD2 PHE A 43 46.615 -10.329 10.657 1.00 23.51 C ATOM 367 CE1 PHE A 43 47.044 -12.932 11.470 1.00 24.18 C ATOM 368 CE2 PHE A 43 45.925 -10.839 11.747 1.00 22.69 C ATOM 369 CZ PHE A 43 46.142 -12.141 12.153 1.00 23.32 C ATOM 370 H PHE A 43 48.434 -12.933 7.108 1.00 0.00 H ATOM 371 N CYS A 44 48.286 -9.187 5.833 1.00 29.29 N ATOM 372 CA CYS A 44 49.029 -8.578 4.737 1.00 29.80 C ATOM 373 C CYS A 44 49.148 -7.079 4.976 1.00 28.75 C ATOM 374 O CYS A 44 48.378 -6.490 5.738 1.00 31.35 O ATOM 375 CB CYS A 44 48.353 -8.833 3.382 1.00 32.62 C ATOM 376 SG CYS A 44 48.003 -10.565 3.019 1.00 34.31 S ATOM 377 H CYS A 44 47.507 -8.656 6.271 1.00 0.00 H ATOM 378 N HIS A 45 50.112 -6.459 4.295 1.00 26.26 N ATOM 379 CA HIS A 45 50.344 -5.028 4.440 1.00 26.99 C ATOM 380 C HIS A 45 50.799 -4.422 3.120 1.00 25.37 C ATOM 381 O HIS A 45 51.261 -5.116 2.211 1.00 26.68 O ATOM 382 CB HIS A 45 51.390 -4.732 5.524 1.00 25.96 C ATOM 383 CG HIS A 45 52.788 -5.114 5.144 1.00 26.86 C ATOM 384 ND1 HIS A 45 53.336 -6.341 5.450 1.00 26.21 N ATOM 385 CD2 HIS A 45 53.757 -4.422 4.498 1.00 28.62 C ATOM 386 CE1 HIS A 45 54.576 -6.393 4.999 1.00 25.24 C ATOM 387 NE2 HIS A 45 54.857 -5.241 4.418 1.00 27.32 N ATOM 388 H HIS A 45 50.711 -7.009 3.646 1.00 0.00 H ATOM 389 N ASN A 46 50.666 -3.100 3.044 1.00 25.01 N ATOM 390 CA ASN A 46 51.106 -2.304 1.906 1.00 25.42 C ATOM 391 C ASN A 46 52.466 -1.695 2.225 1.00 25.95 C ATOM 392 O ASN A 46 52.646 -1.098 3.292 1.00 22.91 O ATOM 393 CB ASN A 46 50.070 -1.217 1.602 1.00 24.77 C ATOM 394 CG ASN A 46 50.442 -0.354 0.409 1.00 20.94 C ATOM 395 OD1 ASN A 46 51.615 -0.102 0.141 1.00 23.87 O ATOM 396 ND2 ASN A 46 49.429 0.108 -0.315 1.00 20.62 N ATOM 397 HD22 ASN A 46 48.451 -0.130 -0.053 1.00 0.00 H ATOM 398 HD21 ASN A 46 49.614 0.708 -1.144 1.00 0.00 H ATOM 399 H ASN A 46 50.222 -2.606 3.844 1.00 0.00 H ATOM 400 N ASP A 47 53.417 -1.840 1.302 1.00 25.43 N ATOM 401 CA ASP A 47 54.794 -1.437 1.558 1.00 31.07 C ATOM 402 C ASP A 47 55.075 0.026 1.232 1.00 34.25 C ATOM 403 O ASP A 47 56.137 0.531 1.614 1.00 33.52 O ATOM 404 CB ASP A 47 55.757 -2.337 0.774 1.00 32.98 C ATOM 405 CG ASP A 47 55.995 -3.669 1.465 1.00 33.58 C ATOM 406 OD1 ASP A 47 56.262 -3.665 2.685 1.00 33.36 O ATOM 407 OD2 ASP A 47 55.907 -4.718 0.793 1.00 34.28 O ATOM 408 H ASP A 47 53.171 -2.250 0.378 1.00 0.00 H ATOM 409 N TYR A 48 54.169 0.722 0.540 1.00 35.14 N ATOM 410 CA TYR A 48 54.282 2.175 0.436 1.00 31.72 C ATOM 411 C TYR A 48 52.914 2.788 0.154 1.00 32.26 C ATOM 412 O TYR A 48 52.616 3.176 -0.983 1.00 33.90 O ATOM 413 CB TYR A 48 55.304 2.590 -0.621 1.00 33.28 C ATOM 414 CG TYR A 48 56.093 3.789 -0.152 1.00 34.57 C ATOM 415 CD1 TYR A 48 55.583 5.075 -0.283 1.00 34.44 C ATOM 416 CD2 TYR A 48 57.314 3.630 0.488 1.00 33.60 C ATOM 417 CE1 TYR A 48 56.291 6.172 0.172 1.00 35.92 C ATOM 418 CE2 TYR A 48 58.027 4.718 0.948 1.00 34.73 C ATOM 419 CZ TYR A 48 57.511 5.987 0.789 1.00 35.33 C ATOM 420 OH TYR A 48 58.219 7.072 1.247 1.00 39.93 O ATOM 421 HH TYR A 48 58.356 6.987 2.224 1.00 0.00 H ATOM 422 H TYR A 48 53.381 0.228 0.074 1.00 0.00 H ATOM 423 N PRO A 49 52.062 2.895 1.177 1.00 29.02 N ATOM 424 CA PRO A 49 50.665 3.292 0.940 1.00 28.62 C ATOM 425 C PRO A 49 50.468 4.755 0.566 1.00 33.14 C ATOM 426 O PRO A 49 49.390 5.095 0.064 1.00 29.57 O ATOM 427 CB PRO A 49 49.978 2.964 2.273 1.00 28.16 C ATOM 428 CG PRO A 49 51.079 2.928 3.288 1.00 28.42 C ATOM 429 CD PRO A 49 52.316 2.501 2.573 1.00 27.55 C ATOM 430 N GLU A 50 51.449 5.635 0.783 1.00 37.92 N ATOM 431 CA GLU A 50 51.237 7.038 0.434 1.00 42.62 C ATOM 432 C GLU A 50 51.169 7.237 -1.073 1.00 41.39 C ATOM 433 O GLU A 50 50.511 8.171 -1.544 1.00 42.14 O ATOM 434 CB GLU A 50 52.339 7.921 1.019 1.00 44.97 C ATOM 435 CG GLU A 50 52.319 8.024 2.533 1.00 46.19 C ATOM 436 CD GLU A 50 53.197 6.989 3.207 1.00 47.09 C ATOM 437 OE1 GLU A 50 53.646 6.045 2.521 1.00 45.62 O ATOM 438 OE2 GLU A 50 53.443 7.125 4.424 1.00 47.53 O ATOM 439 H GLU A 50 52.352 5.326 1.195 1.00 0.00 H ATOM 440 N THR A 51 51.837 6.379 -1.841 1.00 41.82 N ATOM 441 CA THR A 51 51.883 6.499 -3.291 1.00 44.57 C ATOM 442 C THR A 51 51.164 5.376 -4.011 1.00 44.70 C ATOM 443 O THR A 51 50.708 5.575 -5.140 1.00 48.78 O ATOM 444 CB THR A 51 53.339 6.516 -3.772 1.00 44.10 C ATOM 445 OG1 THR A 51 54.023 7.626 -3.191 1.00 44.03 O ATOM 446 CG2 THR A 51 53.424 6.628 -5.295 1.00 45.53 C ATOM 447 HG1 THR A 51 54.962 7.634 -3.504 1.00 0.00 H ATOM 448 H THR A 51 52.345 5.593 -1.388 1.00 0.00 H ATOM 449 N ILE A 52 51.035 4.215 -3.381 1.00 37.74 N ATOM 450 CA ILE A 52 50.564 3.011 -4.046 1.00 33.83 C ATOM 451 C ILE A 52 49.363 2.486 -3.281 1.00 31.89 C ATOM 452 O ILE A 52 49.398 2.377 -2.050 1.00 31.86 O ATOM 453 CB ILE A 52 51.671 1.944 -4.128 1.00 35.98 C ATOM 454 CG1 ILE A 52 52.886 2.504 -4.875 1.00 34.89 C ATOM 455 CG2 ILE A 52 51.150 0.684 -4.822 1.00 31.68 C ATOM 456 CD1 ILE A 52 54.102 1.596 -4.858 1.00 33.91 C ATOM 457 H ILE A 52 51.281 4.165 -2.372 1.00 0.00 H ATOM 458 N THR A 53 48.309 2.160 -4.016 1.00 29.49 N ATOM 459 CA THR A 53 47.151 1.468 -3.480 1.00 27.46 C ATOM 460 C THR A 53 47.198 0.029 -3.968 1.00 24.19 C ATOM 461 O THR A 53 47.286 -0.219 -5.174 1.00 25.42 O ATOM 462 CB THR A 53 45.853 2.152 -3.923 1.00 26.99 C ATOM 463 OG1 THR A 53 45.757 3.443 -3.307 1.00 30.38 O ATOM 464 CG2 THR A 53 44.632 1.318 -3.551 1.00 26.85 C ATOM 465 HG1 THR A 53 44.918 3.883 -3.594 1.00 0.00 H ATOM 466 H THR A 53 48.312 2.412 -5.025 1.00 0.00 H ATOM 467 N ASP A 54 47.150 -0.911 -3.033 1.00 23.16 N ATOM 468 CA ASP A 54 47.173 -2.322 -3.378 1.00 21.53 C ATOM 469 C ASP A 54 45.750 -2.845 -3.470 1.00 19.56 C ATOM 470 O ASP A 54 44.894 -2.501 -2.650 1.00 19.95 O ATOM 471 CB ASP A 54 47.960 -3.131 -2.346 1.00 19.74 C ATOM 472 CG ASP A 54 49.444 -2.843 -2.387 1.00 19.59 C ATOM 473 OD1 ASP A 54 49.992 -2.694 -3.500 1.00 23.70 O ATOM 474 OD2 ASP A 54 50.063 -2.774 -1.306 1.00 19.53 O ATOM 475 H ASP A 54 47.095 -0.632 -2.033 1.00 0.00 H ATOM 476 N TYR A 55 45.506 -3.674 -4.478 1.00 19.78 N ATOM 477 CA TYR A 55 44.221 -4.318 -4.681 1.00 23.80 C ATOM 478 C TYR A 55 44.395 -5.815 -4.493 1.00 22.44 C ATOM 479 O TYR A 55 45.359 -6.404 -4.991 1.00 25.48 O ATOM 480 CB TYR A 55 43.662 -4.030 -6.074 1.00 25.91 C ATOM 481 CG TYR A 55 43.535 -2.561 -6.407 1.00 24.81 C ATOM 482 CD1 TYR A 55 42.730 -1.722 -5.649 1.00 25.61 C ATOM 483 CD2 TYR A 55 44.213 -2.015 -7.489 1.00 25.99 C ATOM 484 CE1 TYR A 55 42.609 -0.377 -5.956 1.00 24.24 C ATOM 485 CE2 TYR A 55 44.100 -0.677 -7.803 1.00 25.84 C ATOM 486 CZ TYR A 55 43.297 0.139 -7.034 1.00 28.39 C ATOM 487 OH TYR A 55 43.185 1.476 -7.350 1.00 29.62 O ATOM 488 HH TYR A 55 42.576 1.916 -6.705 1.00 0.00 H ATOM 489 H TYR A 55 46.271 -3.871 -5.154 1.00 0.00 H ATOM 490 N VAL A 56 43.458 -6.427 -3.777 1.00 23.60 N ATOM 491 CA VAL A 56 43.599 -7.809 -3.344 1.00 23.91 C ATOM 492 C VAL A 56 42.263 -8.510 -3.537 1.00 20.01 C ATOM 493 O VAL A 56 41.251 -8.095 -2.962 1.00 20.65 O ATOM 494 CB VAL A 56 44.058 -7.898 -1.877 1.00 22.95 C ATOM 495 CG1 VAL A 56 44.065 -9.339 -1.398 1.00 24.00 C ATOM 496 CG2 VAL A 56 45.441 -7.269 -1.725 1.00 20.09 C ATOM 497 H VAL A 56 42.598 -5.903 -3.518 1.00 0.00 H ATOM 498 N THR A 57 42.259 -9.564 -4.342 1.00 24.71 N ATOM 499 CA THR A 57 41.085 -10.390 -4.566 1.00 24.20 C ATOM 500 C THR A 57 41.336 -11.794 -4.042 1.00 22.24 C ATOM 501 O THR A 57 42.479 -12.228 -3.877 1.00 21.38 O ATOM 502 CB THR A 57 40.729 -10.482 -6.055 1.00 29.62 C ATOM 503 OG1 THR A 57 41.798 -11.122 -6.763 1.00 31.21 O ATOM 504 CG2 THR A 57 40.476 -9.110 -6.651 1.00 28.88 C ATOM 505 HG1 THR A 57 41.567 -11.181 -7.724 1.00 0.00 H ATOM 506 H THR A 57 43.139 -9.811 -4.837 1.00 0.00 H ATOM 507 N LEU A 58 40.244 -12.498 -3.767 1.00 25.74 N ATOM 508 CA LEU A 58 40.270 -13.954 -3.687 1.00 22.61 C ATOM 509 C LEU A 58 40.039 -14.448 -5.109 1.00 19.32 C ATOM 510 O LEU A 58 38.908 -14.456 -5.599 1.00 19.30 O ATOM 511 CB LEU A 58 39.218 -14.478 -2.716 1.00 20.12 C ATOM 512 CG LEU A 58 39.019 -15.996 -2.720 1.00 22.58 C ATOM 513 CD1 LEU A 58 40.254 -16.700 -2.162 1.00 21.81 C ATOM 514 CD2 LEU A 58 37.781 -16.376 -1.925 1.00 22.85 C ATOM 515 H LEU A 58 39.347 -11.998 -3.604 1.00 0.00 H ATOM 516 N GLN A 59 41.119 -14.821 -5.795 1.00 21.16 N ATOM 517 CA GLN A 59 40.983 -15.209 -7.193 1.00 22.24 C ATOM 518 C GLN A 59 40.296 -16.560 -7.320 1.00 23.94 C ATOM 519 O GLN A 59 39.454 -16.754 -8.205 1.00 19.33 O ATOM 520 CB GLN A 59 42.343 -15.262 -7.879 1.00 22.65 C ATOM 521 CG GLN A 59 42.221 -15.310 -9.396 1.00 29.86 C ATOM 522 CD GLN A 59 43.477 -15.810 -10.065 1.00 33.90 C ATOM 523 OE1 GLN A 59 44.088 -16.775 -9.611 1.00 39.17 O ATOM 524 NE2 GLN A 59 43.875 -15.154 -11.150 1.00 39.68 N ATOM 525 HE22 GLN A 59 43.325 -14.342 -11.498 1.00 0.00 H ATOM 526 HE21 GLN A 59 44.736 -15.452 -11.651 1.00 0.00 H ATOM 527 H GLN A 59 42.052 -14.835 -5.336 1.00 0.00 H ATOM 528 N ARG A 60 40.650 -17.509 -6.457 1.00 24.75 N ATOM 529 CA ARG A 60 40.069 -18.838 -6.534 1.00 25.70 C ATOM 530 C ARG A 60 40.160 -19.492 -5.164 1.00 26.01 C ATOM 531 O ARG A 60 41.121 -19.277 -4.420 1.00 23.21 O ATOM 532 CB ARG A 60 40.779 -19.699 -7.591 1.00 30.44 C ATOM 533 CG ARG A 60 39.961 -20.905 -8.043 1.00 37.07 C ATOM 534 CD ARG A 60 40.755 -21.970 -8.812 1.00 38.35 C ATOM 535 NE ARG A 60 41.679 -22.739 -7.979 1.00 41.75 N ATOM 536 CZ ARG A 60 43.007 -22.727 -8.076 1.00 42.30 C ATOM 537 NH1 ARG A 60 43.718 -23.520 -7.287 1.00 44.27 N ATOM 538 NH2 ARG A 60 43.628 -22.004 -8.998 1.00 43.70 N ATOM 539 HE ARG A 60 41.262 -23.349 -7.247 1.00 0.00 H ATOM 540 HH12 ARG A 60 44.756 -23.522 -7.351 1.00 0.00 H ATOM 541 HH11 ARG A 60 43.238 -24.140 -6.604 1.00 0.00 H ATOM 542 HH22 ARG A 60 44.667 -22.012 -9.053 1.00 0.00 H ATOM 543 HH21 ARG A 60 43.077 -21.429 -9.666 1.00 0.00 H ATOM 544 H ARG A 60 41.351 -17.297 -5.719 1.00 0.00 H ATOM 545 N GLY A 61 39.144 -20.284 -4.842 1.00 25.61 N ATOM 546 CA GLY A 61 39.128 -21.054 -3.616 1.00 23.90 C ATOM 547 C GLY A 61 38.663 -22.464 -3.897 1.00 21.69 C ATOM 548 O GLY A 61 37.546 -22.663 -4.383 1.00 21.92 O ATOM 549 H GLY A 61 38.334 -20.353 -5.491 1.00 0.00 H ATOM 550 N SER A 62 39.509 -23.449 -3.610 1.00 21.89 N ATOM 551 CA SER A 62 39.203 -24.847 -3.871 1.00 23.64 C ATOM 552 C SER A 62 39.077 -25.622 -2.567 1.00 23.20 C ATOM 553 O SER A 62 39.732 -25.306 -1.569 1.00 24.88 O ATOM 554 CB SER A 62 40.281 -25.485 -4.752 1.00 25.92 C ATOM 555 OG SER A 62 40.257 -24.935 -6.059 1.00 30.41 O ATOM 556 HG SER A 62 40.961 -25.362 -6.608 1.00 0.00 H ATOM 557 H SER A 62 40.426 -23.210 -3.182 1.00 0.00 H ATOM 558 N ALA A 63 38.220 -26.638 -2.587 1.00 24.88 N ATOM 559 CA ALA A 63 37.962 -27.492 -1.438 1.00 25.14 C ATOM 560 C ALA A 63 38.574 -28.869 -1.659 1.00 25.32 C ATOM 561 O ALA A 63 38.658 -29.354 -2.791 1.00 24.87 O ATOM 562 CB ALA A 63 36.457 -27.628 -1.190 1.00 27.44 C ATOM 563 H ALA A 63 37.707 -26.833 -3.471 1.00 0.00 H ATOM 564 N TYR A 64 39.008 -29.497 -0.565 1.00 26.28 N ATOM 565 CA TYR A 64 39.653 -30.800 -0.626 1.00 26.51 C ATOM 566 C TYR A 64 39.252 -31.635 0.581 1.00 27.44 C ATOM 567 O TYR A 64 38.664 -31.140 1.546 1.00 26.68 O ATOM 568 CB TYR A 64 41.179 -30.671 -0.688 1.00 30.43 C ATOM 569 CG TYR A 64 41.682 -30.012 -1.950 1.00 34.33 C ATOM 570 CD1 TYR A 64 41.871 -30.748 -3.110 1.00 37.16 C ATOM 571 CD2 TYR A 64 41.971 -28.654 -1.979 1.00 34.95 C ATOM 572 CE1 TYR A 64 42.331 -30.151 -4.267 1.00 37.85 C ATOM 573 CE2 TYR A 64 42.430 -28.049 -3.128 1.00 36.14 C ATOM 574 CZ TYR A 64 42.610 -28.801 -4.270 1.00 38.18 C ATOM 575 OH TYR A 64 43.069 -28.200 -5.418 1.00 41.94 O ATOM 576 HH TYR A 64 43.141 -28.876 -6.137 1.00 0.00 H ATOM 577 H TYR A 64 38.881 -29.041 0.361 1.00 0.00 H ATOM 578 N GLY A 65 39.575 -32.924 0.507 1.00 31.15 N ATOM 579 CA GLY A 65 39.322 -33.837 1.608 1.00 29.79 C ATOM 580 C GLY A 65 37.878 -33.828 2.057 1.00 28.68 C ATOM 581 O GLY A 65 36.945 -33.858 1.246 1.00 32.38 O ATOM 582 H GLY A 65 40.020 -33.286 -0.361 1.00 0.00 H ATOM 583 N GLY A 66 37.688 -33.788 3.376 1.00 25.82 N ATOM 584 CA GLY A 66 36.358 -33.844 3.948 1.00 23.44 C ATOM 585 C GLY A 66 35.536 -32.590 3.734 1.00 26.99 C ATOM 586 O GLY A 66 34.302 -32.661 3.760 1.00 24.50 O ATOM 587 H GLY A 66 38.511 -33.715 4.007 1.00 0.00 H ATOM 588 N VAL A 67 36.184 -31.444 3.522 1.00 29.63 N ATOM 589 CA VAL A 67 35.437 -30.234 3.197 1.00 29.73 C ATOM 590 C VAL A 67 34.791 -30.372 1.826 1.00 27.12 C ATOM 591 O VAL A 67 33.670 -29.901 1.600 1.00 30.37 O ATOM 592 CB VAL A 67 36.350 -28.997 3.285 1.00 28.25 C ATOM 593 CG1 VAL A 67 35.701 -27.783 2.626 1.00 28.96 C ATOM 594 CG2 VAL A 67 36.656 -28.678 4.738 1.00 26.11 C ATOM 595 H VAL A 67 37.221 -31.413 3.588 1.00 0.00 H ATOM 596 N LEU A 68 35.487 -31.018 0.890 1.00 23.23 N ATOM 597 CA LEU A 68 34.920 -31.259 -0.433 1.00 26.11 C ATOM 598 C LEU A 68 33.710 -32.188 -0.354 1.00 26.62 C ATOM 599 O LEU A 68 32.652 -31.897 -0.924 1.00 22.48 O ATOM 600 CB LEU A 68 35.991 -31.839 -1.358 1.00 25.82 C ATOM 601 CG LEU A 68 35.567 -32.168 -2.792 1.00 28.30 C ATOM 602 CD1 LEU A 68 35.121 -30.906 -3.520 1.00 26.40 C ATOM 603 CD2 LEU A 68 36.703 -32.853 -3.542 1.00 24.54 C ATOM 604 H LEU A 68 36.447 -31.355 1.106 1.00 0.00 H ATOM 605 N SER A 69 33.843 -33.306 0.361 1.00 28.66 N ATOM 606 CA SER A 69 32.849 -34.372 0.297 1.00 29.69 C ATOM 607 C SER A 69 31.714 -34.215 1.300 1.00 29.71 C ATOM 608 O SER A 69 30.582 -34.611 0.997 1.00 32.66 O ATOM 609 CB SER A 69 33.517 -35.730 0.536 1.00 30.30 C ATOM 610 OG SER A 69 34.198 -35.751 1.778 1.00 28.50 O ATOM 611 HG SER A 69 34.896 -35.049 1.782 1.00 0.00 H ATOM 612 H SER A 69 34.673 -33.420 0.977 1.00 0.00 H ATOM 613 N ASN A 70 31.976 -33.651 2.480 1.00 28.17 N ATOM 614 CA ASN A 70 31.025 -33.721 3.583 1.00 28.18 C ATOM 615 C ASN A 70 30.303 -32.416 3.889 1.00 27.33 C ATOM 616 O ASN A 70 29.408 -32.418 4.741 1.00 26.90 O ATOM 617 CB ASN A 70 31.740 -34.190 4.857 1.00 26.70 C ATOM 618 CG ASN A 70 32.203 -35.630 4.767 1.00 26.93 C ATOM 619 OD1 ASN A 70 31.503 -36.485 4.229 1.00 26.62 O ATOM 620 ND2 ASN A 70 33.394 -35.903 5.286 1.00 29.01 N ATOM 621 HD22 ASN A 70 33.952 -35.147 5.732 1.00 0.00 H ATOM 622 HD21 ASN A 70 33.769 -36.872 5.247 1.00 0.00 H ATOM 623 H ASN A 70 32.878 -33.151 2.616 1.00 0.00 H ATOM 624 N PHE A 71 30.642 -31.313 3.228 1.00 28.00 N ATOM 625 CA PHE A 71 30.038 -30.029 3.545 1.00 27.82 C ATOM 626 C PHE A 71 29.587 -29.323 2.278 1.00 30.34 C ATOM 627 O PHE A 71 30.130 -29.540 1.192 1.00 29.79 O ATOM 628 CB PHE A 71 31.008 -29.104 4.298 1.00 27.63 C ATOM 629 CG PHE A 71 31.447 -29.629 5.634 1.00 27.63 C ATOM 630 CD1 PHE A 71 32.480 -30.547 5.727 1.00 27.65 C ATOM 631 CD2 PHE A 71 30.841 -29.189 6.802 1.00 24.20 C ATOM 632 CE1 PHE A 71 32.894 -31.024 6.955 1.00 23.93 C ATOM 633 CE2 PHE A 71 31.252 -29.664 8.033 1.00 23.33 C ATOM 634 CZ PHE A 71 32.279 -30.583 8.109 1.00 22.66 C ATOM 635 H PHE A 71 31.352 -31.370 2.470 1.00 0.00 H ATOM 636 N SER A 72 28.580 -28.472 2.444 1.00 30.59 N ATOM 637 CA SER A 72 28.176 -27.496 1.447 1.00 29.58 C ATOM 638 C SER A 72 28.327 -26.125 2.089 1.00 28.50 C ATOM 639 O SER A 72 28.099 -25.974 3.293 1.00 28.93 O ATOM 640 CB SER A 72 26.730 -27.748 0.999 1.00 31.93 C ATOM 641 OG SER A 72 26.150 -26.598 0.416 1.00 38.00 O ATOM 642 HG SER A 72 25.221 -26.801 0.142 1.00 0.00 H ATOM 643 H SER A 72 28.051 -28.507 3.339 1.00 0.00 H ATOM 644 N GLY A 73 28.704 -25.121 1.309 1.00 24.70 N ATOM 645 CA GLY A 73 28.887 -23.819 1.915 1.00 26.02 C ATOM 646 C GLY A 73 29.423 -22.783 0.953 1.00 26.35 C ATOM 647 O GLY A 73 29.434 -22.965 -0.266 1.00 24.34 O ATOM 648 H GLY A 73 28.864 -25.265 0.291 1.00 0.00 H ATOM 649 N THR A 74 29.870 -21.682 1.554 1.00 25.21 N ATOM 650 CA THR A 74 30.264 -20.475 0.849 1.00 24.74 C ATOM 651 C THR A 74 31.522 -19.909 1.491 1.00 25.50 C ATOM 652 O THR A 74 31.937 -20.329 2.574 1.00 24.06 O ATOM 653 CB THR A 74 29.140 -19.435 0.874 1.00 24.60 C ATOM 654 OG1 THR A 74 28.800 -19.137 2.233 1.00 28.77 O ATOM 655 CG2 THR A 74 27.919 -19.980 0.155 1.00 25.23 C ATOM 656 HG1 THR A 74 29.595 -18.777 2.700 1.00 0.00 H ATOM 657 H THR A 74 29.941 -21.687 2.592 1.00 0.00 H ATOM 658 N VAL A 75 32.137 -18.952 0.801 1.00 25.00 N ATOM 659 CA VAL A 75 33.241 -18.168 1.343 1.00 24.48 C ATOM 660 C VAL A 75 32.779 -16.723 1.458 1.00 21.91 C ATOM 661 O VAL A 75 32.211 -16.168 0.510 1.00 21.91 O ATOM 662 CB VAL A 75 34.506 -18.284 0.472 1.00 20.66 C ATOM 663 CG1 VAL A 75 34.224 -17.867 -0.967 1.00 27.37 C ATOM 664 CG2 VAL A 75 35.632 -17.446 1.060 1.00 23.18 C ATOM 665 H VAL A 75 31.816 -18.754 -0.168 1.00 0.00 H ATOM 666 N LYS A 76 33.009 -16.123 2.622 1.00 24.62 N ATOM 667 CA LYS A 76 32.723 -14.714 2.855 1.00 24.49 C ATOM 668 C LYS A 76 34.012 -13.922 2.685 1.00 21.60 C ATOM 669 O LYS A 76 34.988 -14.163 3.401 1.00 20.68 O ATOM 670 CB LYS A 76 32.135 -14.499 4.250 1.00 27.79 C ATOM 671 CG LYS A 76 31.685 -13.071 4.521 1.00 31.50 C ATOM 672 CD LYS A 76 31.091 -12.925 5.915 1.00 31.39 C ATOM 673 CE LYS A 76 29.665 -13.449 5.956 1.00 35.97 C ATOM 674 NZ LYS A 76 28.991 -13.200 7.261 1.00 41.85 N ATOM 675 HZ1 LYS A 76 29.523 -13.671 8.020 1.00 0.00 H ATOM 676 HZ2 LYS A 76 28.958 -12.177 7.443 1.00 0.00 H ATOM 677 HZ3 LYS A 76 28.023 -13.579 7.228 1.00 0.00 H ATOM 678 H LYS A 76 33.411 -16.684 3.400 1.00 0.00 H ATOM 679 N TYR A 77 34.016 -12.984 1.740 1.00 24.20 N ATOM 680 CA TYR A 77 35.172 -12.130 1.493 1.00 27.78 C ATOM 681 C TYR A 77 34.771 -10.679 1.716 1.00 27.43 C ATOM 682 O TYR A 77 33.946 -10.137 0.973 1.00 27.12 O ATOM 683 CB TYR A 77 35.717 -12.339 0.081 1.00 29.84 C ATOM 684 CG TYR A 77 37.036 -11.643 -0.167 1.00 27.86 C ATOM 685 CD1 TYR A 77 38.091 -11.792 0.717 1.00 29.67 C ATOM 686 CD2 TYR A 77 37.232 -10.859 -1.295 1.00 29.57 C ATOM 687 CE1 TYR A 77 39.302 -11.169 0.501 1.00 29.56 C ATOM 688 CE2 TYR A 77 38.446 -10.231 -1.524 1.00 32.33 C ATOM 689 CZ TYR A 77 39.477 -10.393 -0.621 1.00 31.55 C ATOM 690 OH TYR A 77 40.687 -9.775 -0.834 1.00 29.98 O ATOM 691 HH TYR A 77 40.554 -8.795 -0.870 1.00 0.00 H ATOM 692 H TYR A 77 33.164 -12.856 1.157 1.00 0.00 H ATOM 693 N SER A 78 35.364 -10.057 2.733 1.00 27.28 N ATOM 694 CA SER A 78 35.134 -8.649 3.046 1.00 26.93 C ATOM 695 C SER A 78 33.642 -8.315 3.031 1.00 26.75 C ATOM 696 O SER A 78 33.201 -7.336 2.426 1.00 29.69 O ATOM 697 CB SER A 78 35.910 -7.750 2.083 1.00 26.75 C ATOM 698 OG SER A 78 35.892 -6.403 2.518 1.00 33.82 O ATOM 699 HG SER A 78 34.956 -6.085 2.564 1.00 0.00 H ATOM 700 H SER A 78 36.020 -10.598 3.331 1.00 0.00 H ATOM 701 N GLY A 79 32.858 -9.158 3.700 1.00 23.92 N ATOM 702 CA GLY A 79 31.456 -8.892 3.933 1.00 26.91 C ATOM 703 C GLY A 79 30.500 -9.426 2.887 1.00 29.10 C ATOM 704 O GLY A 79 29.284 -9.377 3.110 1.00 30.38 O ATOM 705 H GLY A 79 33.269 -10.040 4.068 1.00 0.00 H ATOM 706 N SER A 80 30.997 -9.930 1.760 1.00 30.42 N ATOM 707 CA SER A 80 30.156 -10.543 0.742 1.00 30.32 C ATOM 708 C SER A 80 30.435 -12.039 0.670 1.00 29.30 C ATOM 709 O SER A 80 31.560 -12.489 0.903 1.00 32.52 O ATOM 710 CB SER A 80 30.388 -9.901 -0.629 1.00 31.76 C ATOM 711 OG SER A 80 30.236 -8.494 -0.563 1.00 32.70 O ATOM 712 HG SER A 80 30.391 -8.104 -1.460 1.00 0.00 H ATOM 713 H SER A 80 32.024 -9.884 1.601 1.00 0.00 H ATOM 714 N SER A 81 29.401 -12.804 0.330 1.00 29.26 N ATOM 715 CA SER A 81 29.479 -14.256 0.253 1.00 30.78 C ATOM 716 C SER A 81 29.439 -14.706 -1.202 1.00 29.61 C ATOM 717 O SER A 81 28.735 -14.115 -2.025 1.00 30.62 O ATOM 718 CB SER A 81 28.332 -14.913 1.027 1.00 34.28 C ATOM 719 OG SER A 81 28.278 -14.442 2.363 1.00 36.54 O ATOM 720 HG SER A 81 29.130 -14.653 2.821 1.00 0.00 H ATOM 721 H SER A 81 28.495 -12.344 0.109 1.00 0.00 H ATOM 722 N TYR A 82 30.199 -15.749 -1.509 1.00 24.06 N ATOM 723 CA TYR A 82 30.277 -16.313 -2.846 1.00 25.11 C ATOM 724 C TYR A 82 30.228 -17.826 -2.734 1.00 26.98 C ATOM 725 O TYR A 82 30.436 -18.379 -1.649 1.00 25.50 O ATOM 726 CB TYR A 82 31.564 -15.878 -3.560 1.00 24.70 C ATOM 727 CG TYR A 82 31.783 -14.389 -3.519 1.00 22.87 C ATOM 728 CD1 TYR A 82 32.351 -13.784 -2.407 1.00 23.56 C ATOM 729 CD2 TYR A 82 31.415 -13.584 -4.588 1.00 23.05 C ATOM 730 CE1 TYR A 82 32.546 -12.418 -2.361 1.00 22.04 C ATOM 731 CE2 TYR A 82 31.609 -12.221 -4.552 1.00 21.37 C ATOM 732 CZ TYR A 82 32.175 -11.642 -3.435 1.00 22.50 C ATOM 733 OH TYR A 82 32.368 -10.281 -3.395 1.00 26.99 O ATOM 734 HH TYR A 82 32.781 -10.033 -2.530 1.00 0.00 H ATOM 735 H TYR A 82 30.767 -16.185 -0.755 1.00 0.00 H ATOM 736 N PRO A 83 29.956 -18.526 -3.835 1.00 25.98 N ATOM 737 CA PRO A 83 29.993 -19.990 -3.785 1.00 23.38 C ATOM 738 C PRO A 83 31.375 -20.483 -3.389 1.00 19.78 C ATOM 739 O PRO A 83 32.394 -19.862 -3.700 1.00 22.03 O ATOM 740 CB PRO A 83 29.637 -20.412 -5.216 1.00 24.75 C ATOM 741 CG PRO A 83 28.987 -19.228 -5.832 1.00 22.38 C ATOM 742 CD PRO A 83 29.584 -18.027 -5.170 1.00 22.44 C ATOM 743 N PHE A 84 31.400 -21.613 -2.691 1.00 19.50 N ATOM 744 CA PHE A 84 32.656 -22.289 -2.400 1.00 22.50 C ATOM 745 C PHE A 84 32.489 -23.783 -2.649 1.00 24.12 C ATOM 746 O PHE A 84 31.622 -24.410 -2.028 1.00 25.92 O ATOM 747 CB PHE A 84 33.104 -22.033 -0.963 1.00 22.52 C ATOM 748 CG PHE A 84 34.356 -22.767 -0.589 1.00 23.88 C ATOM 749 CD1 PHE A 84 35.594 -22.313 -1.017 1.00 23.22 C ATOM 750 CD2 PHE A 84 34.299 -23.908 0.194 1.00 21.66 C ATOM 751 CE1 PHE A 84 36.751 -22.989 -0.680 1.00 21.93 C ATOM 752 CE2 PHE A 84 35.452 -24.584 0.538 1.00 23.92 C ATOM 753 CZ PHE A 84 36.680 -24.125 0.101 1.00 24.74 C ATOM 754 H PHE A 84 30.508 -22.021 -2.347 1.00 0.00 H ATOM 755 N PRO A 85 33.292 -24.402 -3.535 1.00 29.40 N ATOM 756 CA PRO A 85 34.393 -23.862 -4.350 1.00 26.03 C ATOM 757 C PRO A 85 33.981 -22.674 -5.218 1.00 24.28 C ATOM 758 O PRO A 85 32.837 -22.612 -5.668 1.00 23.29 O ATOM 759 CB PRO A 85 34.801 -25.046 -5.234 1.00 28.10 C ATOM 760 CG PRO A 85 34.280 -26.256 -4.560 1.00 26.37 C ATOM 761 CD PRO A 85 33.087 -25.843 -3.762 1.00 27.24 C ATOM 762 N THR A 86 34.904 -21.742 -5.440 1.00 23.15 N ATOM 763 CA THR A 86 34.585 -20.520 -6.159 1.00 21.88 C ATOM 764 C THR A 86 34.467 -20.794 -7.651 1.00 22.00 C ATOM 765 O THR A 86 35.041 -21.749 -8.179 1.00 19.97 O ATOM 766 CB THR A 86 35.646 -19.445 -5.916 1.00 18.23 C ATOM 767 OG1 THR A 86 36.916 -19.896 -6.408 1.00 24.11 O ATOM 768 CG2 THR A 86 35.749 -19.108 -4.433 1.00 18.83 C ATOM 769 HG1 THR A 86 36.847 -20.076 -7.379 1.00 0.00 H ATOM 770 H THR A 86 35.873 -21.891 -5.092 1.00 0.00 H ATOM 771 N THR A 87 33.702 -19.938 -8.327 1.00 21.47 N ATOM 772 CA THR A 87 33.514 -20.025 -9.765 1.00 27.45 C ATOM 773 C THR A 87 34.121 -18.851 -10.517 1.00 29.25 C ATOM 774 O THR A 87 34.237 -18.917 -11.745 1.00 26.36 O ATOM 775 CB THR A 87 32.015 -20.106 -10.091 1.00 28.58 C ATOM 776 OG1 THR A 87 31.327 -19.028 -9.444 1.00 28.13 O ATOM 777 CG2 THR A 87 31.433 -21.428 -9.607 1.00 24.87 C ATOM 778 HG1 THR A 87 30.361 -19.081 -9.655 1.00 0.00 H ATOM 779 H THR A 87 33.221 -19.178 -7.805 1.00 0.00 H ATOM 780 N SER A 88 34.516 -17.791 -9.818 1.00 30.55 N ATOM 781 CA SER A 88 35.099 -16.621 -10.458 1.00 30.51 C ATOM 782 C SER A 88 35.845 -15.817 -9.406 1.00 28.57 C ATOM 783 O SER A 88 35.670 -16.012 -8.202 1.00 23.85 O ATOM 784 CB SER A 88 34.037 -15.755 -11.140 1.00 30.27 C ATOM 785 OG SER A 88 33.205 -15.129 -10.179 1.00 32.65 O ATOM 786 HG SER A 88 32.527 -14.575 -10.642 1.00 0.00 H ATOM 787 H SER A 88 34.405 -17.798 -8.784 1.00 0.00 H ATOM 788 N GLU A 89 36.674 -14.897 -9.888 1.00 31.86 N ATOM 789 CA GLU A 89 37.438 -14.018 -9.017 1.00 32.87 C ATOM 790 C GLU A 89 36.534 -12.971 -8.375 1.00 30.63 C ATOM 791 O GLU A 89 35.646 -12.412 -9.023 1.00 31.54 O ATOM 792 CB GLU A 89 38.540 -13.336 -9.826 1.00 33.48 C ATOM 793 CG GLU A 89 39.230 -12.181 -9.128 1.00 35.69 C ATOM 794 CD GLU A 89 40.457 -11.710 -9.882 1.00 36.77 C ATOM 795 OE1 GLU A 89 40.437 -11.762 -11.129 1.00 37.63 O ATOM 796 OE2 GLU A 89 41.437 -11.292 -9.234 1.00 36.93 O ATOM 797 H GLU A 89 36.780 -14.803 -10.918 1.00 0.00 H ATOM 798 N THR A 90 36.767 -12.707 -7.088 1.00 26.25 N ATOM 799 CA THR A 90 35.984 -11.727 -6.352 1.00 26.97 C ATOM 800 C THR A 90 36.391 -10.311 -6.746 1.00 28.41 C ATOM 801 O THR A 90 37.395 -10.105 -7.431 1.00 30.63 O ATOM 802 CB THR A 90 36.181 -11.891 -4.846 1.00 22.19 C ATOM 803 OG1 THR A 90 37.511 -11.482 -4.497 1.00 28.53 O ATOM 804 CG2 THR A 90 35.961 -13.325 -4.407 1.00 22.46 C ATOM 805 HG1 THR A 90 37.640 -10.533 -4.748 1.00 0.00 H ATOM 806 H THR A 90 37.530 -13.216 -6.598 1.00 0.00 H ATOM 807 N PRO A 91 35.625 -9.308 -6.324 1.00 29.39 N ATOM 808 CA PRO A 91 36.086 -7.922 -6.455 1.00 25.92 C ATOM 809 C PRO A 91 37.270 -7.650 -5.537 1.00 23.81 C ATOM 810 O PRO A 91 37.615 -8.434 -4.652 1.00 26.15 O ATOM 811 CB PRO A 91 34.866 -7.082 -6.059 1.00 25.38 C ATOM 812 CG PRO A 91 33.710 -8.016 -6.043 1.00 26.24 C ATOM 813 CD PRO A 91 34.245 -9.391 -5.817 1.00 27.22 C ATOM 814 N ARG A 92 37.896 -6.503 -5.769 1.00 28.47 N ATOM 815 CA ARG A 92 39.132 -6.142 -5.094 1.00 26.54 C ATOM 816 C ARG A 92 38.863 -5.517 -3.731 1.00 28.90 C ATOM 817 O ARG A 92 37.862 -4.828 -3.521 1.00 30.94 O ATOM 818 CB ARG A 92 39.930 -5.171 -5.958 1.00 29.24 C ATOM 819 CG ARG A 92 40.571 -5.815 -7.171 1.00 32.51 C ATOM 820 CD ARG A 92 40.969 -4.769 -8.191 1.00 36.92 C ATOM 821 NE ARG A 92 39.801 -4.189 -8.844 1.00 40.34 N ATOM 822 CZ ARG A 92 39.853 -3.208 -9.738 1.00 44.00 C ATOM 823 NH1 ARG A 92 41.020 -2.684 -10.089 1.00 44.32 N ATOM 824 NH2 ARG A 92 38.735 -2.747 -10.280 1.00 46.75 N ATOM 825 HE ARG A 92 38.866 -4.569 -8.593 1.00 0.00 H ATOM 826 HH12 ARG A 92 41.056 -1.916 -10.789 1.00 0.00 H ATOM 827 HH11 ARG A 92 41.899 -3.041 -9.664 1.00 0.00 H ATOM 828 HH22 ARG A 92 38.775 -1.979 -10.980 1.00 0.00 H ATOM 829 HH21 ARG A 92 37.818 -3.153 -10.005 1.00 0.00 H ATOM 830 H ARG A 92 37.488 -5.839 -6.458 1.00 0.00 H ATOM 831 N VAL A 93 39.774 -5.781 -2.797 1.00 29.79 N ATOM 832 CA VAL A 93 39.828 -5.093 -1.513 1.00 31.15 C ATOM 833 C VAL A 93 41.083 -4.231 -1.481 1.00 29.80 C ATOM 834 O VAL A 93 42.127 -4.612 -2.026 1.00 25.55 O ATOM 835 CB VAL A 93 39.791 -6.092 -0.339 1.00 29.23 C ATOM 836 CG1 VAL A 93 40.262 -5.442 0.960 1.00 28.51 C ATOM 837 CG2 VAL A 93 38.381 -6.638 -0.177 1.00 28.83 C ATOM 838 H VAL A 93 40.483 -6.516 -2.993 1.00 0.00 H ATOM 839 N VAL A 94 40.982 -3.073 -0.836 1.00 27.43 N ATOM 840 CA VAL A 94 42.065 -2.097 -0.810 1.00 30.54 C ATOM 841 C VAL A 94 42.913 -2.325 0.432 1.00 28.65 C ATOM 842 O VAL A 94 42.385 -2.466 1.542 1.00 31.67 O ATOM 843 CB VAL A 94 41.513 -0.660 -0.830 1.00 32.33 C ATOM 844 CG1 VAL A 94 42.621 0.352 -0.540 1.00 30.53 C ATOM 845 CG2 VAL A 94 40.854 -0.356 -2.162 1.00 31.27 C ATOM 846 H VAL A 94 40.099 -2.855 -0.332 1.00 0.00 H ATOM 847 N TYR A 95 44.228 -2.366 0.244 1.00 32.60 N ATOM 848 CA TYR A 95 45.191 -2.382 1.338 1.00 32.44 C ATOM 849 C TYR A 95 46.000 -1.096 1.274 1.00 30.78 C ATOM 850 O TYR A 95 46.632 -0.806 0.252 1.00 30.89 O ATOM 851 CB TYR A 95 46.097 -3.611 1.272 1.00 31.10 C ATOM 852 CG TYR A 95 45.448 -4.843 1.851 1.00 34.45 C ATOM 853 CD1 TYR A 95 44.498 -5.558 1.135 1.00 31.83 C ATOM 854 CD2 TYR A 95 45.769 -5.276 3.131 1.00 33.96 C ATOM 855 CE1 TYR A 95 43.897 -6.679 1.672 1.00 34.62 C ATOM 856 CE2 TYR A 95 45.174 -6.395 3.677 1.00 34.05 C ATOM 857 CZ TYR A 95 44.238 -7.092 2.944 1.00 36.12 C ATOM 858 OH TYR A 95 43.642 -8.208 3.482 1.00 36.38 O ATOM 859 HH TYR A 95 43.162 -7.957 4.311 1.00 0.00 H ATOM 860 H TYR A 95 44.588 -2.388 -0.732 1.00 0.00 H ATOM 861 N ASN A 96 45.967 -0.324 2.362 1.00 29.17 N ATOM 862 CA ASN A 96 46.549 1.011 2.374 1.00 32.01 C ATOM 863 C ASN A 96 47.295 1.304 3.673 1.00 32.04 C ATOM 864 O ASN A 96 47.402 2.466 4.078 1.00 32.31 O ATOM 865 CB ASN A 96 45.455 2.054 2.130 1.00 32.93 C ATOM 866 CG ASN A 96 44.375 2.029 3.196 1.00 37.33 C ATOM 867 OD1 ASN A 96 44.412 1.210 4.114 1.00 37.94 O ATOM 868 ND2 ASN A 96 43.382 2.898 3.052 1.00 41.46 N ATOM 869 HD22 ASN A 96 43.392 3.573 2.261 1.00 0.00 H ATOM 870 HD21 ASN A 96 42.594 2.904 3.731 1.00 0.00 H ATOM 871 H ASN A 96 45.513 -0.686 3.225 1.00 0.00 H ATOM 872 N SER A 97 47.812 0.273 4.343 1.00 32.39 N ATOM 873 CA SER A 97 48.517 0.457 5.603 1.00 31.97 C ATOM 874 C SER A 97 49.781 -0.390 5.633 1.00 33.51 C ATOM 875 O SER A 97 49.807 -1.505 5.104 1.00 34.02 O ATOM 876 CB SER A 97 47.631 0.091 6.800 1.00 31.45 C ATOM 877 OG SER A 97 48.276 0.415 8.020 1.00 30.39 O ATOM 878 HG SER A 97 48.463 1.387 8.045 1.00 0.00 H ATOM 879 H SER A 97 47.709 -0.687 3.955 1.00 0.00 H ATOM 880 N ARG A 98 50.829 0.151 6.263 1.00 32.33 N ATOM 881 CA ARG A 98 52.035 -0.622 6.538 1.00 32.06 C ATOM 882 C ARG A 98 51.827 -1.634 7.653 1.00 27.98 C ATOM 883 O ARG A 98 52.625 -2.568 7.784 1.00 30.07 O ATOM 884 CB ARG A 98 53.189 0.307 6.915 1.00 33.47 C ATOM 885 CG ARG A 98 53.726 1.122 5.760 1.00 35.70 C ATOM 886 CD ARG A 98 55.046 1.789 6.102 1.00 37.98 C ATOM 887 NE ARG A 98 55.511 2.610 4.989 1.00 36.57 N ATOM 888 CZ ARG A 98 55.040 3.819 4.703 1.00 38.12 C ATOM 889 NH1 ARG A 98 54.093 4.365 5.454 1.00 40.11 N ATOM 890 NH2 ARG A 98 55.518 4.485 3.662 1.00 42.28 N ATOM 891 HE ARG A 98 56.260 2.224 4.380 1.00 0.00 H ATOM 892 HH12 ARG A 98 53.729 5.312 5.225 1.00 0.00 H ATOM 893 HH11 ARG A 98 53.715 3.846 6.272 1.00 0.00 H ATOM 894 HH22 ARG A 98 55.150 5.431 3.437 1.00 0.00 H ATOM 895 HH21 ARG A 98 56.261 4.061 3.070 1.00 0.00 H ATOM 896 H ARG A 98 50.783 1.146 6.564 1.00 0.00 H ATOM 897 N THR A 99 50.785 -1.465 8.460 1.00 27.79 N ATOM 898 CA THR A 99 50.500 -2.395 9.541 1.00 32.49 C ATOM 899 C THR A 99 49.841 -3.642 8.974 1.00 34.95 C ATOM 900 O THR A 99 48.875 -3.548 8.211 1.00 35.57 O ATOM 901 CB THR A 99 49.580 -1.745 10.577 1.00 32.58 C ATOM 902 OG1 THR A 99 50.203 -0.568 11.106 1.00 32.68 O ATOM 903 CG2 THR A 99 49.264 -2.716 11.715 1.00 29.73 C ATOM 904 HG1 THR A 99 49.604 -0.152 11.775 1.00 0.00 H ATOM 905 H THR A 99 50.158 -0.648 8.315 1.00 0.00 H ATOM 906 N ASP A 100 50.369 -4.809 9.333 1.00 38.48 N ATOM 907 CA ASP A 100 49.761 -6.049 8.877 1.00 37.24 C ATOM 908 C ASP A 100 48.312 -6.094 9.336 1.00 35.83 C ATOM 909 O ASP A 100 48.018 -5.932 10.524 1.00 33.21 O ATOM 910 CB ASP A 100 50.526 -7.259 9.416 1.00 38.31 C ATOM 911 CG ASP A 100 51.687 -7.667 8.523 1.00 40.47 C ATOM 912 OD1 ASP A 100 51.516 -7.685 7.284 1.00 41.95 O ATOM 913 OD2 ASP A 100 52.769 -7.979 9.064 1.00 39.59 O ATOM 914 H ASP A 100 51.214 -4.835 9.938 1.00 0.00 H ATOM 915 N LYS A 101 47.410 -6.307 8.387 1.00 32.89 N ATOM 916 CA LYS A 101 45.980 -6.341 8.644 1.00 33.09 C ATOM 917 C LYS A 101 45.387 -7.638 8.113 1.00 26.25 C ATOM 918 O LYS A 101 45.944 -8.252 7.195 1.00 28.97 O ATOM 919 CB LYS A 101 45.251 -5.146 8.005 1.00 36.62 C ATOM 920 CG LYS A 101 45.377 -3.828 8.779 1.00 41.98 C ATOM 921 CD LYS A 101 44.889 -2.631 7.958 1.00 45.70 C ATOM 922 CE LYS A 101 44.968 -1.322 8.741 1.00 48.59 C ATOM 923 NZ LYS A 101 44.363 -0.186 7.983 1.00 51.40 N ATOM 924 HZ1 LYS A 101 44.871 -0.061 7.084 1.00 0.00 H ATOM 925 HZ2 LYS A 101 43.362 -0.393 7.791 1.00 0.00 H ATOM 926 HZ3 LYS A 101 44.436 0.684 8.548 1.00 0.00 H ATOM 927 H LYS A 101 47.742 -6.457 7.413 1.00 0.00 H ATOM 928 N PRO A 102 44.265 -8.081 8.674 1.00 27.68 N ATOM 929 CA PRO A 102 43.723 -9.390 8.297 1.00 26.00 C ATOM 930 C PRO A 102 43.268 -9.451 6.848 1.00 25.19 C ATOM 931 O PRO A 102 42.804 -8.466 6.271 1.00 29.45 O ATOM 932 CB PRO A 102 42.538 -9.569 9.252 1.00 24.19 C ATOM 933 CG PRO A 102 42.709 -8.542 10.314 1.00 24.71 C ATOM 934 CD PRO A 102 43.444 -7.416 9.696 1.00 26.55 C ATOM 935 N TRP A 103 43.420 -10.637 6.264 1.00 25.01 N ATOM 936 CA TRP A 103 42.776 -10.980 5.005 1.00 21.40 C ATOM 937 C TRP A 103 41.361 -11.451 5.333 1.00 21.77 C ATOM 938 O TRP A 103 41.194 -12.529 5.916 1.00 26.46 O ATOM 939 CB TRP A 103 43.566 -12.065 4.271 1.00 19.59 C ATOM 940 CG TRP A 103 43.202 -12.243 2.821 1.00 19.55 C ATOM 941 CD1 TRP A 103 42.887 -11.263 1.925 1.00 17.51 C ATOM 942 CD2 TRP A 103 43.129 -13.481 2.100 1.00 19.19 C ATOM 943 NE1 TRP A 103 42.624 -11.812 0.694 1.00 20.34 N ATOM 944 CE2 TRP A 103 42.762 -13.172 0.775 1.00 18.59 C ATOM 945 CE3 TRP A 103 43.337 -14.818 2.446 1.00 18.35 C ATOM 946 CZ2 TRP A 103 42.599 -14.151 -0.202 1.00 18.37 C ATOM 947 CZ3 TRP A 103 43.177 -15.789 1.475 1.00 18.47 C ATOM 948 CH2 TRP A 103 42.812 -15.451 0.167 1.00 19.02 C ATOM 949 HE1 TRP A 103 42.362 -11.281 -0.161 1.00 0.00 H ATOM 950 H TRP A 103 44.023 -11.347 6.726 1.00 0.00 H ATOM 951 N PRO A 104 40.318 -10.680 5.001 1.00 19.16 N ATOM 952 CA PRO A 104 38.984 -11.005 5.554 1.00 22.56 C ATOM 953 C PRO A 104 38.282 -12.113 4.778 1.00 20.91 C ATOM 954 O PRO A 104 37.335 -11.898 4.015 1.00 22.10 O ATOM 955 CB PRO A 104 38.262 -9.656 5.463 1.00 20.36 C ATOM 956 CG PRO A 104 38.835 -9.026 4.242 1.00 19.86 C ATOM 957 CD PRO A 104 40.288 -9.452 4.187 1.00 18.81 C ATOM 958 N VAL A 105 38.762 -13.338 4.981 1.00 21.93 N ATOM 959 CA VAL A 105 38.253 -14.528 4.309 1.00 27.47 C ATOM 960 C VAL A 105 37.789 -15.513 5.372 1.00 24.93 C ATOM 961 O VAL A 105 38.501 -15.756 6.353 1.00 26.29 O ATOM 962 CB VAL A 105 39.322 -15.168 3.404 1.00 28.06 C ATOM 963 CG1 VAL A 105 38.824 -16.489 2.826 1.00 29.87 C ATOM 964 CG2 VAL A 105 39.681 -14.230 2.273 1.00 29.11 C ATOM 965 H VAL A 105 39.544 -13.453 5.657 1.00 0.00 H ATOM 966 N ALA A 106 36.602 -16.082 5.173 1.00 23.35 N ATOM 967 CA ALA A 106 36.085 -17.116 6.056 1.00 26.10 C ATOM 968 C ALA A 106 35.201 -18.061 5.257 1.00 24.00 C ATOM 969 O ALA A 106 34.421 -17.621 4.408 1.00 24.34 O ATOM 970 CB ALA A 106 35.295 -16.514 7.222 1.00 21.90 C ATOM 971 H ALA A 106 36.027 -15.778 4.362 1.00 0.00 H ATOM 972 N LEU A 107 35.334 -19.357 5.528 1.00 22.26 N ATOM 973 CA LEU A 107 34.473 -20.366 4.927 1.00 24.53 C ATOM 974 C LEU A 107 33.323 -20.664 5.879 1.00 22.20 C ATOM 975 O LEU A 107 33.542 -20.842 7.081 1.00 17.90 O ATOM 976 CB LEU A 107 35.245 -21.655 4.638 1.00 22.86 C ATOM 977 CG LEU A 107 36.596 -21.554 3.928 1.00 25.25 C ATOM 978 CD1 LEU A 107 37.172 -22.951 3.721 1.00 26.12 C ATOM 979 CD2 LEU A 107 36.482 -20.810 2.608 1.00 26.26 C ATOM 980 H LEU A 107 36.077 -19.659 6.190 1.00 0.00 H ATOM 981 N TYR A 108 32.104 -20.718 5.346 1.00 24.15 N ATOM 982 CA TYR A 108 30.930 -21.103 6.124 1.00 28.05 C ATOM 983 C TYR A 108 30.381 -22.398 5.544 1.00 29.11 C ATOM 984 O TYR A 108 29.851 -22.414 4.428 1.00 31.22 O ATOM 985 CB TYR A 108 29.882 -19.992 6.135 1.00 24.27 C ATOM 986 CG TYR A 108 30.331 -18.814 6.961 1.00 24.50 C ATOM 987 CD1 TYR A 108 31.184 -17.859 6.431 1.00 25.55 C ATOM 988 CD2 TYR A 108 29.948 -18.687 8.289 1.00 25.81 C ATOM 989 CE1 TYR A 108 31.615 -16.789 7.186 1.00 26.27 C ATOM 990 CE2 TYR A 108 30.375 -17.620 9.055 1.00 24.69 C ATOM 991 CZ TYR A 108 31.212 -16.676 8.498 1.00 25.18 C ATOM 992 OH TYR A 108 31.645 -15.610 9.251 1.00 27.37 O ATOM 993 HH TYR A 108 32.233 -15.035 8.700 1.00 0.00 H ATOM 994 H TYR A 108 31.984 -20.478 4.341 1.00 0.00 H ATOM 995 N LEU A 109 30.521 -23.479 6.307 1.00 26.42 N ATOM 996 CA LEU A 109 30.293 -24.833 5.829 1.00 24.98 C ATOM 997 C LEU A 109 29.312 -25.538 6.750 1.00 28.07 C ATOM 998 O LEU A 109 29.487 -25.522 7.972 1.00 31.35 O ATOM 999 CB LEU A 109 31.606 -25.617 5.781 1.00 23.24 C ATOM 1000 CG LEU A 109 32.744 -24.983 4.988 1.00 18.29 C ATOM 1001 CD1 LEU A 109 34.037 -25.732 5.246 1.00 18.09 C ATOM 1002 CD2 LEU A 109 32.414 -24.967 3.504 1.00 18.41 C ATOM 1003 H LEU A 109 30.809 -23.348 7.298 1.00 0.00 H ATOM 1004 N THR A 110 28.280 -26.145 6.169 1.00 29.10 N ATOM 1005 CA THR A 110 27.343 -26.915 6.962 1.00 30.92 C ATOM 1006 C THR A 110 27.307 -28.359 6.467 1.00 26.33 C ATOM 1007 O THR A 110 27.367 -28.594 5.255 1.00 23.31 O ATOM 1008 CB THR A 110 25.931 -26.316 6.922 1.00 32.67 C ATOM 1009 OG1 THR A 110 25.129 -26.916 7.948 1.00 38.17 O ATOM 1010 CG2 THR A 110 25.270 -26.539 5.583 1.00 33.07 C ATOM 1011 HG1 THR A 110 25.539 -26.739 8.832 1.00 0.00 H ATOM 1012 H THR A 110 28.145 -26.066 5.141 1.00 0.00 H ATOM 1013 N PRO A 111 27.232 -29.342 7.367 1.00 24.37 N ATOM 1014 CA PRO A 111 27.289 -30.745 6.930 1.00 22.31 C ATOM 1015 C PRO A 111 26.117 -31.112 6.032 1.00 21.87 C ATOM 1016 O PRO A 111 24.965 -30.766 6.310 1.00 24.89 O ATOM 1017 CB PRO A 111 27.239 -31.523 8.250 1.00 24.64 C ATOM 1018 CG PRO A 111 27.707 -30.551 9.285 1.00 24.35 C ATOM 1019 CD PRO A 111 27.180 -29.232 8.835 1.00 21.48 C ATOM 1020 N VAL A 112 26.422 -31.835 4.949 1.00 22.27 N ATOM 1021 CA VAL A 112 25.393 -32.443 4.109 1.00 25.38 C ATOM 1022 C VAL A 112 24.836 -33.681 4.803 1.00 31.72 C ATOM 1023 O VAL A 112 25.513 -34.328 5.609 1.00 32.02 O ATOM 1024 CB VAL A 112 25.947 -32.784 2.709 1.00 27.80 C ATOM 1025 CG1 VAL A 112 26.535 -31.545 2.043 1.00 27.05 C ATOM 1026 CG2 VAL A 112 26.967 -33.919 2.774 1.00 27.89 C ATOM 1027 H VAL A 112 27.422 -31.968 4.697 1.00 0.00 H ATOM 1028 N SER A 113 23.586 -34.021 4.479 1.00 34.40 N ATOM 1029 CA SER A 113 22.914 -35.122 5.163 1.00 40.65 C ATOM 1030 C SER A 113 23.691 -36.426 5.021 1.00 38.17 C ATOM 1031 O SER A 113 23.617 -37.290 5.902 1.00 37.32 O ATOM 1032 CB SER A 113 21.490 -35.283 4.630 1.00 42.17 C ATOM 1033 OG SER A 113 21.478 -35.484 3.228 1.00 44.30 O ATOM 1034 HG SER A 113 20.543 -35.584 2.918 1.00 0.00 H ATOM 1035 H SER A 113 23.087 -33.497 3.733 1.00 0.00 H ATOM 1036 N SER A 114 24.424 -36.596 3.921 1.00 34.84 N ATOM 1037 CA SER A 114 25.208 -37.799 3.669 1.00 34.09 C ATOM 1038 C SER A 114 26.589 -37.728 4.308 1.00 33.32 C ATOM 1039 O SER A 114 27.446 -38.565 4.006 1.00 34.25 O ATOM 1040 CB SER A 114 25.342 -38.048 2.166 1.00 35.57 C ATOM 1041 OG SER A 114 26.223 -37.118 1.563 1.00 36.78 O ATOM 1042 HG SER A 114 27.119 -37.199 1.976 1.00 0.00 H ATOM 1043 H SER A 114 24.437 -35.837 3.211 1.00 0.00 H ATOM 1044 N ALA A 115 26.823 -36.749 5.175 1.00 34.57 N ATOM 1045 CA ALA A 115 28.132 -36.572 5.782 1.00 34.49 C ATOM 1046 C ALA A 115 28.476 -37.770 6.655 1.00 32.82 C ATOM 1047 O ALA A 115 27.608 -38.378 7.288 1.00 33.73 O ATOM 1048 CB ALA A 115 28.155 -35.304 6.636 1.00 32.75 C ATOM 1049 H ALA A 115 26.054 -36.095 5.425 1.00 0.00 H ATOM 1050 N GLY A 116 29.759 -38.093 6.716 1.00 33.94 N ATOM 1051 CA GLY A 116 30.176 -39.198 7.543 1.00 34.57 C ATOM 1052 C GLY A 116 30.557 -38.713 8.924 1.00 32.74 C ATOM 1053 O GLY A 116 30.745 -37.518 9.148 1.00 28.65 O ATOM 1054 H GLY A 116 30.461 -37.553 6.171 1.00 0.00 H ATOM 1055 N GLY A 117 30.686 -39.660 9.845 1.00 31.45 N ATOM 1056 CA GLY A 117 30.989 -39.326 11.219 1.00 31.73 C ATOM 1057 C GLY A 117 32.222 -38.461 11.324 1.00 28.47 C ATOM 1058 O GLY A 117 32.159 -37.320 11.789 1.00 29.91 O ATOM 1059 H GLY A 117 30.567 -40.657 9.574 1.00 0.00 H ATOM 1060 N VAL A 118 33.357 -39.010 10.906 1.00 25.41 N ATOM 1061 CA VAL A 118 34.607 -38.268 10.927 1.00 27.34 C ATOM 1062 C VAL A 118 34.595 -37.402 9.675 1.00 26.51 C ATOM 1063 O VAL A 118 35.034 -37.839 8.607 1.00 28.50 O ATOM 1064 CB VAL A 118 35.816 -39.219 10.949 1.00 26.03 C ATOM 1065 CG1 VAL A 118 37.110 -38.433 10.946 1.00 24.83 C ATOM 1066 CG2 VAL A 118 35.725 -40.196 12.114 1.00 25.14 C ATOM 1067 H VAL A 118 33.351 -39.990 10.557 1.00 0.00 H ATOM 1068 N ALA A 119 34.106 -36.167 9.793 1.00 28.62 N ATOM 1069 CA ALA A 119 33.901 -35.351 8.602 1.00 27.22 C ATOM 1070 C ALA A 119 35.195 -34.748 8.072 1.00 25.23 C ATOM 1071 O ALA A 119 35.329 -34.561 6.858 1.00 22.00 O ATOM 1072 CB ALA A 119 32.889 -34.241 8.897 1.00 27.49 C ATOM 1073 H ALA A 119 33.871 -35.787 10.732 1.00 0.00 H ATOM 1074 N ILE A 120 36.144 -34.429 8.948 1.00 25.65 N ATOM 1075 CA ILE A 120 37.454 -33.930 8.542 1.00 23.40 C ATOM 1076 C ILE A 120 38.506 -34.627 9.393 1.00 25.06 C ATOM 1077 O ILE A 120 38.345 -34.752 10.612 1.00 25.80 O ATOM 1078 CB ILE A 120 37.559 -32.396 8.685 1.00 23.92 C ATOM 1079 CG1 ILE A 120 36.474 -31.700 7.855 1.00 23.48 C ATOM 1080 CG2 ILE A 120 38.933 -31.912 8.240 1.00 20.26 C ATOM 1081 CD1 ILE A 120 36.334 -30.217 8.145 1.00 21.89 C ATOM 1082 H ILE A 120 35.944 -34.540 9.963 1.00 0.00 H ATOM 1083 N LYS A 121 39.586 -35.078 8.759 1.00 30.33 N ATOM 1084 CA LYS A 121 40.641 -35.803 9.455 1.00 34.72 C ATOM 1085 C LYS A 121 41.764 -34.844 9.829 1.00 33.36 C ATOM 1086 O LYS A 121 42.136 -33.969 9.042 1.00 35.89 O ATOM 1087 CB LYS A 121 41.200 -36.944 8.599 1.00 41.00 C ATOM 1088 CG LYS A 121 40.187 -38.041 8.293 1.00 43.66 C ATOM 1089 CD LYS A 121 40.667 -39.433 8.703 1.00 48.41 C ATOM 1090 CE LYS A 121 40.612 -39.597 10.218 1.00 51.20 C ATOM 1091 NZ LYS A 121 41.117 -40.896 10.741 1.00 51.61 N ATOM 1092 HZ1 LYS A 121 40.553 -41.672 10.341 1.00 0.00 H ATOM 1093 HZ2 LYS A 121 42.114 -41.014 10.469 1.00 0.00 H ATOM 1094 HZ3 LYS A 121 41.036 -40.906 11.778 1.00 0.00 H ATOM 1095 H LYS A 121 39.680 -34.908 7.737 1.00 0.00 H ATOM 1096 N ALA A 122 42.289 -35.005 11.044 1.00 27.96 N ATOM 1097 CA ALA A 122 43.420 -34.204 11.492 1.00 23.64 C ATOM 1098 C ALA A 122 44.566 -34.269 10.491 1.00 23.07 C ATOM 1099 O ALA A 122 44.890 -35.333 9.958 1.00 21.87 O ATOM 1100 CB ALA A 122 43.898 -34.686 12.864 1.00 21.66 C ATOM 1101 H ALA A 122 41.883 -35.717 11.685 1.00 0.00 H ATOM 1102 N GLY A 123 45.188 -33.116 10.245 1.00 24.29 N ATOM 1103 CA GLY A 123 46.330 -33.034 9.358 1.00 20.71 C ATOM 1104 C GLY A 123 46.008 -33.022 7.880 1.00 22.96 C ATOM 1105 O GLY A 123 46.936 -32.955 7.065 1.00 28.18 O ATOM 1106 H GLY A 123 44.843 -32.249 10.704 1.00 0.00 H ATOM 1107 N SER A 124 44.736 -33.086 7.502 1.00 26.16 N ATOM 1108 CA SER A 124 44.360 -33.153 6.098 1.00 25.53 C ATOM 1109 C SER A 124 44.277 -31.764 5.477 1.00 26.44 C ATOM 1110 O SER A 124 43.942 -30.777 6.137 1.00 25.79 O ATOM 1111 CB SER A 124 43.017 -33.863 5.928 1.00 22.43 C ATOM 1112 OG SER A 124 41.993 -33.213 6.661 1.00 26.91 O ATOM 1113 HG SER A 124 42.228 -33.210 7.623 1.00 0.00 H ATOM 1114 H SER A 124 43.991 -33.088 8.227 1.00 0.00 H ATOM 1115 N LEU A 125 44.593 -31.705 4.187 1.00 26.78 N ATOM 1116 CA LEU A 125 44.337 -30.517 3.388 1.00 23.76 C ATOM 1117 C LEU A 125 42.837 -30.328 3.199 1.00 24.03 C ATOM 1118 O LEU A 125 42.144 -31.235 2.730 1.00 26.47 O ATOM 1119 CB LEU A 125 45.028 -30.653 2.034 1.00 24.94 C ATOM 1120 CG LEU A 125 44.823 -29.533 1.019 1.00 27.54 C ATOM 1121 CD1 LEU A 125 45.501 -28.253 1.461 1.00 26.87 C ATOM 1122 CD2 LEU A 125 45.357 -29.990 -0.320 1.00 27.92 C ATOM 1123 H LEU A 125 45.036 -32.531 3.737 1.00 0.00 H ATOM 1124 N ILE A 126 42.332 -29.150 3.561 1.00 23.00 N ATOM 1125 CA ILE A 126 40.908 -28.868 3.433 1.00 21.67 C ATOM 1126 C ILE A 126 40.597 -27.777 2.415 1.00 20.79 C ATOM 1127 O ILE A 126 39.455 -27.718 1.934 1.00 18.60 O ATOM 1128 CB ILE A 126 40.282 -28.505 4.795 1.00 17.71 C ATOM 1129 CG1 ILE A 126 41.035 -27.350 5.459 1.00 17.46 C ATOM 1130 CG2 ILE A 126 40.258 -29.722 5.700 1.00 22.36 C ATOM 1131 CD1 ILE A 126 40.236 -26.666 6.558 1.00 22.36 C ATOM 1132 H ILE A 126 42.965 -28.418 3.942 1.00 0.00 H ATOM 1133 N ALA A 127 41.554 -26.921 2.062 1.00 26.40 N ATOM 1134 CA ALA A 127 41.263 -25.861 1.106 1.00 25.95 C ATOM 1135 C ALA A 127 42.556 -25.258 0.580 1.00 27.59 C ATOM 1136 O ALA A 127 43.608 -25.328 1.220 1.00 28.55 O ATOM 1137 CB ALA A 127 40.388 -24.770 1.731 1.00 28.59 C ATOM 1138 H ALA A 127 42.507 -27.009 2.468 1.00 0.00 H ATOM 1139 N VAL A 128 42.452 -24.664 -0.606 1.00 27.98 N ATOM 1140 CA VAL A 128 43.516 -23.862 -1.197 1.00 27.51 C ATOM 1141 C VAL A 128 42.910 -22.526 -1.596 1.00 23.95 C ATOM 1142 O VAL A 128 41.990 -22.480 -2.421 1.00 22.95 O ATOM 1143 CB VAL A 128 44.157 -24.549 -2.413 1.00 28.64 C ATOM 1144 CG1 VAL A 128 45.148 -23.617 -3.112 1.00 28.41 C ATOM 1145 CG2 VAL A 128 44.847 -25.821 -1.990 1.00 27.16 C ATOM 1146 H VAL A 128 41.566 -24.778 -1.139 1.00 0.00 H ATOM 1147 N LEU A 129 43.415 -21.447 -1.008 1.00 26.39 N ATOM 1148 CA LEU A 129 42.918 -20.101 -1.257 1.00 27.65 C ATOM 1149 C LEU A 129 44.016 -19.285 -1.919 1.00 27.62 C ATOM 1150 O LEU A 129 45.144 -19.227 -1.417 1.00 27.99 O ATOM 1151 CB LEU A 129 42.466 -19.432 0.042 1.00 26.60 C ATOM 1152 CG LEU A 129 41.527 -20.269 0.907 1.00 28.39 C ATOM 1153 CD1 LEU A 129 41.317 -19.614 2.258 1.00 30.07 C ATOM 1154 CD2 LEU A 129 40.198 -20.456 0.192 1.00 30.27 C ATOM 1155 H LEU A 129 44.202 -21.569 -0.339 1.00 0.00 H ATOM 1156 N ILE A 130 43.686 -18.664 -3.046 1.00 29.01 N ATOM 1157 CA ILE A 130 44.642 -17.905 -3.839 1.00 25.39 C ATOM 1158 C ILE A 130 44.318 -16.426 -3.688 1.00 22.35 C ATOM 1159 O ILE A 130 43.247 -15.967 -4.106 1.00 28.29 O ATOM 1160 CB ILE A 130 44.615 -18.343 -5.311 1.00 26.62 C ATOM 1161 CG1 ILE A 130 45.087 -19.798 -5.408 1.00 25.58 C ATOM 1162 CG2 ILE A 130 45.498 -17.428 -6.160 1.00 25.51 C ATOM 1163 CD1 ILE A 130 45.017 -20.388 -6.790 1.00 26.67 C ATOM 1164 H ILE A 130 42.702 -18.723 -3.376 1.00 0.00 H ATOM 1165 N LEU A 131 45.243 -15.688 -3.086 1.00 18.41 N ATOM 1166 CA LEU A 131 45.160 -14.241 -2.983 1.00 18.48 C ATOM 1167 C LEU A 131 45.910 -13.630 -4.162 1.00 21.77 C ATOM 1168 O LEU A 131 47.085 -13.940 -4.383 1.00 22.94 O ATOM 1169 CB LEU A 131 45.751 -13.787 -1.644 1.00 19.04 C ATOM 1170 CG LEU A 131 45.857 -12.312 -1.241 1.00 21.36 C ATOM 1171 CD1 LEU A 131 46.148 -12.209 0.251 1.00 18.08 C ATOM 1172 CD2 LEU A 131 46.935 -11.559 -2.017 1.00 21.13 C ATOM 1173 H LEU A 131 46.066 -16.168 -2.669 1.00 0.00 H ATOM 1174 N ARG A 132 45.227 -12.778 -4.924 1.00 21.67 N ATOM 1175 CA ARG A 132 45.803 -12.142 -6.104 1.00 24.16 C ATOM 1176 C ARG A 132 45.918 -10.647 -5.838 1.00 23.55 C ATOM 1177 O ARG A 132 44.920 -9.994 -5.512 1.00 19.58 O ATOM 1178 CB ARG A 132 44.950 -12.422 -7.342 1.00 27.89 C ATOM 1179 CG ARG A 132 45.557 -11.954 -8.660 1.00 33.65 C ATOM 1180 CD ARG A 132 44.525 -11.987 -9.783 1.00 35.86 C ATOM 1181 NE ARG A 132 45.103 -11.687 -11.091 1.00 37.17 N ATOM 1182 CZ ARG A 132 44.415 -11.685 -12.230 1.00 43.07 C ATOM 1183 NH1 ARG A 132 43.117 -11.964 -12.229 1.00 44.23 N ATOM 1184 NH2 ARG A 132 45.022 -11.406 -13.375 1.00 43.15 N ATOM 1185 HE ARG A 132 46.117 -11.461 -11.135 1.00 0.00 H ATOM 1186 HH12 ARG A 132 42.584 -11.961 -13.122 1.00 0.00 H ATOM 1187 HH11 ARG A 132 42.633 -12.185 -11.335 1.00 0.00 H ATOM 1188 HH22 ARG A 132 44.481 -11.405 -14.263 1.00 0.00 H ATOM 1189 HH21 ARG A 132 46.039 -11.188 -13.385 1.00 0.00 H ATOM 1190 H ARG A 132 44.244 -12.557 -4.668 1.00 0.00 H ATOM 1191 N GLN A 133 47.132 -10.112 -5.965 1.00 24.55 N ATOM 1192 CA GLN A 133 47.420 -8.726 -5.614 1.00 21.63 C ATOM 1193 C GLN A 133 47.844 -7.936 -6.845 1.00 22.63 C ATOM 1194 O GLN A 133 48.728 -8.367 -7.592 1.00 22.80 O ATOM 1195 CB GLN A 133 48.514 -8.660 -4.544 1.00 21.69 C ATOM 1196 CG GLN A 133 48.957 -7.248 -4.195 1.00 21.81 C ATOM 1197 CD GLN A 133 50.332 -6.914 -4.732 1.00 21.07 C ATOM 1198 OE1 GLN A 133 51.244 -7.739 -4.700 1.00 22.24 O ATOM 1199 NE2 GLN A 133 50.490 -5.695 -5.230 1.00 24.70 N ATOM 1200 HE22 GLN A 133 49.691 -5.029 -5.237 1.00 0.00 H ATOM 1201 HE21 GLN A 133 51.412 -5.405 -5.613 1.00 0.00 H ATOM 1202 H GLN A 133 47.904 -10.706 -6.329 1.00 0.00 H ATOM 1203 N THR A 134 47.214 -6.776 -7.042 1.00 26.91 N ATOM 1204 CA THR A 134 47.611 -5.815 -8.067 1.00 27.81 C ATOM 1205 C THR A 134 47.741 -4.437 -7.427 1.00 26.26 C ATOM 1206 O THR A 134 47.653 -4.321 -6.201 1.00 29.67 O ATOM 1207 CB THR A 134 46.600 -5.784 -9.216 1.00 29.05 C ATOM 1208 OG1 THR A 134 45.288 -5.529 -8.699 1.00 29.13 O ATOM 1209 CG2 THR A 134 46.602 -7.110 -9.965 1.00 28.16 C ATOM 1210 HG1 THR A 134 44.638 -5.510 -9.446 1.00 0.00 H ATOM 1211 H THR A 134 46.401 -6.545 -6.436 1.00 0.00 H ATOM 1212 N ASN A 135 47.957 -3.389 -8.224 1.00 27.05 N ATOM 1213 CA ASN A 135 48.112 -2.048 -7.674 1.00 26.97 C ATOM 1214 C ASN A 135 47.706 -1.010 -8.715 1.00 32.21 C ATOM 1215 O ASN A 135 47.338 -1.338 -9.846 1.00 34.49 O ATOM 1216 CB ASN A 135 49.553 -1.823 -7.200 1.00 25.89 C ATOM 1217 CG ASN A 135 50.571 -1.984 -8.317 1.00 26.52 C ATOM 1218 OD1 ASN A 135 50.385 -1.477 -9.424 1.00 26.75 O ATOM 1219 ND2 ASN A 135 51.649 -2.708 -8.034 1.00 24.48 N ATOM 1220 HD22 ASN A 135 51.766 -3.118 -7.085 1.00 0.00 H ATOM 1221 HD21 ASN A 135 52.376 -2.865 -8.761 1.00 0.00 H ATOM 1222 H ASN A 135 48.016 -3.531 -9.253 1.00 0.00 H ATOM 1223 N ASN A 136 47.777 0.261 -8.311 1.00 33.23 N ATOM 1224 CA ASN A 136 47.560 1.404 -9.192 1.00 35.65 C ATOM 1225 C ASN A 136 48.875 2.062 -9.592 1.00 36.93 C ATOM 1226 O ASN A 136 48.923 3.273 -9.830 1.00 35.87 O ATOM 1227 CB ASN A 136 46.652 2.429 -8.512 1.00 32.40 C ATOM 1228 CG ASN A 136 47.292 3.040 -7.275 1.00 35.00 C ATOM 1229 OD1 ASN A 136 48.265 2.508 -6.739 1.00 32.95 O ATOM 1230 ND2 ASN A 136 46.748 4.161 -6.817 1.00 37.05 N ATOM 1231 HD22 ASN A 136 45.926 4.576 -7.301 1.00 0.00 H ATOM 1232 HD21 ASN A 136 47.143 4.624 -5.974 1.00 0.00 H ATOM 1233 H ASN A 136 47.999 0.447 -7.312 1.00 0.00 H ATOM 1234 N TYR A 137 49.942 1.273 -9.673 1.00 38.76 N ATOM 1235 CA TYR A 137 51.305 1.771 -9.793 1.00 41.27 C ATOM 1236 C TYR A 137 52.025 1.218 -11.011 1.00 40.54 C ATOM 1237 O TYR A 137 52.613 1.987 -11.781 1.00 41.33 O ATOM 1238 CB TYR A 137 52.060 1.417 -8.501 1.00 44.42 C ATOM 1239 CG TYR A 137 53.503 1.856 -8.429 1.00 48.17 C ATOM 1240 CD1 TYR A 137 53.846 3.198 -8.324 1.00 50.90 C ATOM 1241 CD2 TYR A 137 54.525 0.916 -8.425 1.00 49.04 C ATOM 1242 CE1 TYR A 137 55.171 3.591 -8.241 1.00 50.11 C ATOM 1243 CE2 TYR A 137 55.847 1.297 -8.343 1.00 49.67 C ATOM 1244 CZ TYR A 137 56.166 2.633 -8.250 1.00 50.19 C ATOM 1245 OH TYR A 137 57.487 3.004 -8.168 1.00 50.59 O ATOM 1246 HH TYR A 137 57.548 3.990 -8.107 1.00 0.00 H ATOM 1247 H TYR A 137 49.795 0.244 -9.649 1.00 0.00 H ATOM 1248 N ASN A 138 51.994 -0.094 -11.210 1.00 38.07 N ATOM 1249 CA ASN A 138 52.674 -0.726 -12.335 1.00 37.57 C ATOM 1250 C ASN A 138 51.837 -1.926 -12.770 1.00 37.50 C ATOM 1251 O ASN A 138 50.623 -1.967 -12.544 1.00 35.05 O ATOM 1252 CB ASN A 138 54.118 -1.094 -11.949 1.00 38.49 C ATOM 1253 CG ASN A 138 54.184 -2.051 -10.772 1.00 38.77 C ATOM 1254 OD1 ASN A 138 53.190 -2.675 -10.402 1.00 38.65 O ATOM 1255 ND2 ASN A 138 55.365 -2.173 -10.181 1.00 36.92 N ATOM 1256 HD22 ASN A 138 56.179 -1.626 -10.527 1.00 0.00 H ATOM 1257 HD21 ASN A 138 55.477 -2.816 -9.371 1.00 0.00 H ATOM 1258 H ASN A 138 51.467 -0.691 -10.541 1.00 0.00 H ATOM 1259 N SER A 139 52.483 -2.906 -13.404 1.00 37.08 N ATOM 1260 CA SER A 139 51.803 -4.076 -13.938 1.00 37.04 C ATOM 1261 C SER A 139 51.953 -5.308 -13.047 1.00 32.57 C ATOM 1262 O SER A 139 51.738 -6.431 -13.516 1.00 32.85 O ATOM 1263 CB SER A 139 52.323 -4.374 -15.345 1.00 42.46 C ATOM 1264 OG SER A 139 53.650 -4.871 -15.301 1.00 48.02 O ATOM 1265 HG SER A 139 53.671 -5.707 -14.770 1.00 0.00 H ATOM 1266 H SER A 139 53.514 -2.831 -13.521 1.00 0.00 H ATOM 1267 N ASP A 140 52.306 -5.126 -11.774 1.00 30.48 N ATOM 1268 CA ASP A 140 52.433 -6.258 -10.864 1.00 28.78 C ATOM 1269 C ASP A 140 51.124 -7.034 -10.781 1.00 32.09 C ATOM 1270 O ASP A 140 50.047 -6.449 -10.635 1.00 29.62 O ATOM 1271 CB ASP A 140 52.837 -5.785 -9.467 1.00 27.56 C ATOM 1272 CG ASP A 140 54.299 -5.399 -9.376 1.00 30.95 C ATOM 1273 OD1 ASP A 140 55.044 -5.620 -10.356 1.00 30.82 O ATOM 1274 OD2 ASP A 140 54.708 -4.894 -8.309 1.00 28.64 O ATOM 1275 H ASP A 140 52.493 -4.164 -11.426 1.00 0.00 H ATOM 1276 N ASP A 141 51.225 -8.362 -10.874 1.00 33.44 N ATOM 1277 CA ASP A 141 50.059 -9.245 -10.778 1.00 37.84 C ATOM 1278 C ASP A 141 50.551 -10.538 -10.122 1.00 37.51 C ATOM 1279 O ASP A 141 51.027 -11.451 -10.800 1.00 39.77 O ATOM 1280 CB ASP A 141 49.441 -9.495 -12.146 1.00 39.27 C ATOM 1281 CG ASP A 141 48.058 -10.114 -12.063 1.00 38.88 C ATOM 1282 OD1 ASP A 141 47.680 -10.597 -10.977 1.00 37.30 O ATOM 1283 OD2 ASP A 141 47.346 -10.111 -13.089 1.00 38.28 O ATOM 1284 H ASP A 141 52.164 -8.785 -11.020 1.00 0.00 H ATOM 1285 N PHE A 142 50.424 -10.601 -8.798 1.00 35.37 N ATOM 1286 CA PHE A 142 51.071 -11.626 -7.990 1.00 35.25 C ATOM 1287 C PHE A 142 50.029 -12.477 -7.279 1.00 34.14 C ATOM 1288 O PHE A 142 48.994 -11.970 -6.834 1.00 35.87 O ATOM 1289 CB PHE A 142 52.013 -10.997 -6.956 1.00 32.16 C ATOM 1290 CG PHE A 142 53.154 -10.231 -7.562 1.00 32.15 C ATOM 1291 CD1 PHE A 142 53.832 -10.722 -8.666 1.00 30.30 C ATOM 1292 CD2 PHE A 142 53.545 -9.011 -7.030 1.00 32.57 C ATOM 1293 CE1 PHE A 142 54.881 -10.017 -9.224 1.00 30.47 C ATOM 1294 CE2 PHE A 142 54.593 -8.302 -7.584 1.00 31.03 C ATOM 1295 CZ PHE A 142 55.261 -8.805 -8.684 1.00 28.17 C ATOM 1296 H PHE A 142 49.837 -9.887 -8.320 1.00 0.00 H ATOM 1297 N GLN A 143 50.310 -13.773 -7.180 1.00 33.39 N ATOM 1298 CA GLN A 143 49.413 -14.737 -6.557 1.00 34.03 C ATOM 1299 C GLN A 143 50.056 -15.295 -5.294 1.00 27.48 C ATOM 1300 O GLN A 143 51.177 -15.812 -5.334 1.00 30.10 O ATOM 1301 CB GLN A 143 49.059 -15.858 -7.533 1.00 38.98 C ATOM 1302 CG GLN A 143 48.122 -15.394 -8.635 1.00 41.84 C ATOM 1303 CD GLN A 143 47.757 -16.487 -9.618 1.00 45.83 C ATOM 1304 OE1 GLN A 143 47.331 -17.575 -9.230 1.00 45.48 O ATOM 1305 NE2 GLN A 143 47.901 -16.193 -10.906 1.00 49.75 N ATOM 1306 HE22 GLN A 143 48.265 -15.261 -11.189 1.00 0.00 H ATOM 1307 HE21 GLN A 143 47.650 -16.895 -11.631 1.00 0.00 H ATOM 1308 H GLN A 143 51.213 -14.115 -7.566 1.00 0.00 H ATOM 1309 N PHE A 144 49.349 -15.166 -4.177 1.00 23.04 N ATOM 1310 CA PHE A 144 49.762 -15.709 -2.890 1.00 19.82 C ATOM 1311 C PHE A 144 48.905 -16.936 -2.609 1.00 18.70 C ATOM 1312 O PHE A 144 47.681 -16.824 -2.479 1.00 18.65 O ATOM 1313 CB PHE A 144 49.607 -14.664 -1.786 1.00 22.58 C ATOM 1314 CG PHE A 144 50.527 -13.483 -1.933 1.00 23.97 C ATOM 1315 CD1 PHE A 144 50.386 -12.606 -2.997 1.00 20.95 C ATOM 1316 CD2 PHE A 144 51.517 -13.234 -0.997 1.00 27.17 C ATOM 1317 CE1 PHE A 144 51.227 -11.518 -3.137 1.00 22.81 C ATOM 1318 CE2 PHE A 144 52.360 -12.142 -1.129 1.00 22.69 C ATOM 1319 CZ PHE A 144 52.214 -11.285 -2.202 1.00 21.89 C ATOM 1320 H PHE A 144 48.449 -14.647 -4.224 1.00 0.00 H ATOM 1321 N VAL A 145 49.538 -18.102 -2.547 1.00 21.56 N ATOM 1322 CA VAL A 145 48.834 -19.377 -2.467 1.00 21.84 C ATOM 1323 C VAL A 145 48.831 -19.837 -1.016 1.00 21.78 C ATOM 1324 O VAL A 145 49.894 -20.037 -0.417 1.00 18.25 O ATOM 1325 CB VAL A 145 49.481 -20.425 -3.384 1.00 23.67 C ATOM 1326 CG1 VAL A 145 48.757 -21.761 -3.270 1.00 24.15 C ATOM 1327 CG2 VAL A 145 49.488 -19.929 -4.826 1.00 22.29 C ATOM 1328 H VAL A 145 50.578 -18.106 -2.556 1.00 0.00 H ATOM 1329 N TRP A 146 47.638 -20.004 -0.450 1.00 24.87 N ATOM 1330 CA TRP A 146 47.469 -20.395 0.945 1.00 22.69 C ATOM 1331 C TRP A 146 46.887 -21.803 0.986 1.00 19.41 C ATOM 1332 O TRP A 146 45.746 -22.021 0.567 1.00 19.24 O ATOM 1333 CB TRP A 146 46.564 -19.405 1.672 1.00 23.41 C ATOM 1334 CG TRP A 146 47.051 -17.998 1.589 1.00 25.43 C ATOM 1335 CD1 TRP A 146 46.559 -17.009 0.792 1.00 23.49 C ATOM 1336 CD2 TRP A 146 48.134 -17.418 2.327 1.00 22.55 C ATOM 1337 NE1 TRP A 146 47.264 -15.848 0.988 1.00 23.60 N ATOM 1338 CE2 TRP A 146 48.238 -16.073 1.925 1.00 22.07 C ATOM 1339 CE3 TRP A 146 49.024 -17.907 3.286 1.00 21.36 C ATOM 1340 CZ2 TRP A 146 49.196 -15.209 2.451 1.00 22.07 C ATOM 1341 CZ3 TRP A 146 49.974 -17.049 3.807 1.00 23.54 C ATOM 1342 CH2 TRP A 146 50.053 -15.715 3.389 1.00 22.53 C ATOM 1343 HE1 TRP A 146 47.088 -14.944 0.504 1.00 0.00 H ATOM 1344 H TRP A 146 46.788 -19.849 -1.029 1.00 0.00 H ATOM 1345 N ASN A 147 47.668 -22.753 1.498 1.00 21.41 N ATOM 1346 CA ASN A 147 47.248 -24.145 1.616 1.00 21.86 C ATOM 1347 C ASN A 147 46.767 -24.385 3.045 1.00 24.35 C ATOM 1348 O ASN A 147 47.557 -24.324 3.992 1.00 26.54 O ATOM 1349 CB ASN A 147 48.389 -25.087 1.239 1.00 23.00 C ATOM 1350 CG ASN A 147 48.904 -24.839 -0.169 1.00 21.18 C ATOM 1351 OD1 ASN A 147 48.273 -25.231 -1.148 1.00 20.60 O ATOM 1352 ND2 ASN A 147 50.059 -24.191 -0.274 1.00 22.89 N ATOM 1353 HD22 ASN A 147 50.559 -23.877 0.582 1.00 0.00 H ATOM 1354 HD21 ASN A 147 50.463 -23.997 -1.212 1.00 0.00 H ATOM 1355 H ASN A 147 48.619 -22.491 1.828 1.00 0.00 H ATOM 1356 N ILE A 148 45.474 -24.660 3.194 1.00 23.16 N ATOM 1357 CA ILE A 148 44.812 -24.708 4.494 1.00 24.32 C ATOM 1358 C ILE A 148 44.734 -26.159 4.952 1.00 26.84 C ATOM 1359 O ILE A 148 44.195 -27.015 4.239 1.00 28.47 O ATOM 1360 CB ILE A 148 43.411 -24.080 4.425 1.00 24.17 C ATOM 1361 CG1 ILE A 148 43.458 -22.739 3.682 1.00 23.96 C ATOM 1362 CG2 ILE A 148 42.831 -23.900 5.820 1.00 21.59 C ATOM 1363 CD1 ILE A 148 44.428 -21.730 4.273 1.00 20.33 C ATOM 1364 H ILE A 148 44.907 -24.850 2.343 1.00 0.00 H ATOM 1365 N TYR A 149 45.258 -26.434 6.146 1.00 27.61 N ATOM 1366 CA TYR A 149 45.274 -27.777 6.713 1.00 25.73 C ATOM 1367 C TYR A 149 44.536 -27.792 8.043 1.00 23.22 C ATOM 1368 O TYR A 149 44.615 -26.837 8.822 1.00 23.03 O ATOM 1369 CB TYR A 149 46.705 -28.281 6.918 1.00 27.04 C ATOM 1370 CG TYR A 149 47.417 -28.632 5.636 1.00 28.96 C ATOM 1371 CD1 TYR A 149 48.046 -27.654 4.878 1.00 27.98 C ATOM 1372 CD2 TYR A 149 47.462 -29.944 5.183 1.00 26.04 C ATOM 1373 CE1 TYR A 149 48.698 -27.971 3.704 1.00 26.09 C ATOM 1374 CE2 TYR A 149 48.112 -30.271 4.010 1.00 28.93 C ATOM 1375 CZ TYR A 149 48.729 -29.280 3.274 1.00 27.68 C ATOM 1376 OH TYR A 149 49.378 -29.599 2.104 1.00 29.80 O ATOM 1377 HH TYR A 149 49.762 -28.778 1.706 1.00 0.00 H ATOM 1378 H TYR A 149 45.674 -25.656 6.698 1.00 0.00 H ATOM 1379 N ALA A 150 43.842 -28.894 8.306 1.00 25.10 N ATOM 1380 CA ALA A 150 43.108 -29.057 9.551 1.00 26.79 C ATOM 1381 C ALA A 150 44.048 -29.528 10.652 1.00 26.73 C ATOM 1382 O ALA A 150 44.803 -30.488 10.469 1.00 32.08 O ATOM 1383 CB ALA A 150 41.962 -30.050 9.363 1.00 27.69 C ATOM 1384 H ALA A 150 43.823 -29.660 7.603 1.00 0.00 H ATOM 1385 N ASN A 151 43.999 -28.847 11.796 1.00 25.15 N ATOM 1386 CA ASN A 151 44.821 -29.214 12.942 1.00 28.32 C ATOM 1387 C ASN A 151 44.267 -30.405 13.708 1.00 26.78 C ATOM 1388 O ASN A 151 45.012 -31.039 14.463 1.00 30.85 O ATOM 1389 CB ASN A 151 44.948 -28.020 13.898 1.00 32.20 C ATOM 1390 CG ASN A 151 46.329 -27.391 13.884 1.00 30.66 C ATOM 1391 OD1 ASN A 151 47.201 -27.783 13.113 1.00 34.35 O ATOM 1392 ND2 ASN A 151 46.523 -26.386 14.729 1.00 33.70 N ATOM 1393 HD22 ASN A 151 45.757 -26.086 15.365 1.00 0.00 H ATOM 1394 HD21 ASN A 151 47.441 -25.898 14.755 1.00 0.00 H ATOM 1395 H ASN A 151 43.357 -28.032 11.873 1.00 0.00 H ATOM 1396 N ASN A 152 42.986 -30.723 13.538 1.00 24.91 N ATOM 1397 CA ASN A 152 42.337 -31.720 14.375 1.00 20.70 C ATOM 1398 C ASN A 152 41.166 -32.329 13.619 1.00 22.27 C ATOM 1399 O ASN A 152 40.721 -31.809 12.592 1.00 21.54 O ATOM 1400 CB ASN A 152 41.866 -31.096 15.693 1.00 20.32 C ATOM 1401 CG ASN A 152 40.934 -29.913 15.476 1.00 18.64 C ATOM 1402 OD1 ASN A 152 41.375 -28.807 15.161 1.00 19.84 O ATOM 1403 ND2 ASN A 152 39.641 -30.141 15.656 1.00 18.66 N ATOM 1404 HD22 ASN A 152 39.313 -31.091 15.922 1.00 0.00 H ATOM 1405 HD21 ASN A 152 38.955 -29.370 15.531 1.00 0.00 H ATOM 1406 H ASN A 152 42.438 -30.249 12.792 1.00 0.00 H ATOM 1407 N ASP A 153 40.667 -33.445 14.147 1.00 20.51 N ATOM 1408 CA ASP A 153 39.480 -34.074 13.588 1.00 22.04 C ATOM 1409 C ASP A 153 38.261 -33.192 13.806 1.00 19.77 C ATOM 1410 O ASP A 153 38.139 -32.511 14.829 1.00 19.03 O ATOM 1411 CB ASP A 153 39.230 -35.438 14.235 1.00 27.85 C ATOM 1412 CG ASP A 153 40.143 -36.523 13.703 1.00 29.22 C ATOM 1413 OD1 ASP A 153 40.973 -36.237 12.816 1.00 29.95 O ATOM 1414 OD2 ASP A 153 40.014 -37.675 14.166 1.00 35.35 O ATOM 1415 H ASP A 153 41.133 -33.874 14.972 1.00 0.00 H ATOM 1416 N VAL A 154 37.362 -33.191 12.828 1.00 20.73 N ATOM 1417 CA VAL A 154 36.040 -32.600 12.983 1.00 22.09 C ATOM 1418 C VAL A 154 35.031 -33.727 12.812 1.00 20.79 C ATOM 1419 O VAL A 154 35.010 -34.391 11.767 1.00 20.79 O ATOM 1420 CB VAL A 154 35.790 -31.478 11.964 1.00 20.61 C ATOM 1421 CG1 VAL A 154 34.405 -30.882 12.156 1.00 18.45 C ATOM 1422 CG2 VAL A 154 36.869 -30.403 12.063 1.00 21.87 C ATOM 1423 H VAL A 154 37.611 -33.628 11.918 1.00 0.00 H ATOM 1424 N VAL A 155 34.206 -33.949 13.832 1.00 19.30 N ATOM 1425 CA VAL A 155 33.219 -35.024 13.830 1.00 22.99 C ATOM 1426 C VAL A 155 31.830 -34.411 13.745 1.00 21.90 C ATOM 1427 O VAL A 155 31.553 -33.375 14.362 1.00 20.87 O ATOM 1428 CB VAL A 155 33.329 -35.953 15.057 1.00 25.75 C ATOM 1429 CG1 VAL A 155 34.680 -36.648 15.081 1.00 22.09 C ATOM 1430 CG2 VAL A 155 33.066 -35.205 16.355 1.00 25.22 C ATOM 1431 H VAL A 155 34.267 -33.330 14.666 1.00 0.00 H ATOM 1432 N VAL A 156 30.969 -35.041 12.956 1.00 21.22 N ATOM 1433 CA VAL A 156 29.559 -34.675 12.880 1.00 21.42 C ATOM 1434 C VAL A 156 28.761 -35.805 13.522 1.00 24.03 C ATOM 1435 O VAL A 156 28.558 -36.851 12.886 1.00 20.09 O ATOM 1436 CB VAL A 156 29.129 -34.418 11.428 1.00 22.73 C ATOM 1437 CG1 VAL A 156 27.626 -34.228 11.331 1.00 22.08 C ATOM 1438 CG2 VAL A 156 29.852 -33.186 10.888 1.00 27.03 C ATOM 1439 H VAL A 156 31.313 -35.827 12.368 1.00 0.00 H ATOM 1440 N PRO A 157 28.306 -35.656 14.768 1.00 23.60 N ATOM 1441 CA PRO A 157 27.559 -36.744 15.411 1.00 22.40 C ATOM 1442 C PRO A 157 26.204 -36.952 14.755 1.00 25.91 C ATOM 1443 O PRO A 157 25.632 -36.040 14.157 1.00 27.75 O ATOM 1444 CB PRO A 157 27.393 -36.260 16.860 1.00 22.76 C ATOM 1445 CG PRO A 157 28.319 -35.084 17.013 1.00 23.88 C ATOM 1446 CD PRO A 157 28.437 -34.487 15.655 1.00 22.05 C ATOM 1447 N THR A 158 25.687 -38.172 14.876 1.00 37.09 N ATOM 1448 CA THR A 158 24.307 -38.448 14.484 1.00 43.86 C ATOM 1449 C THR A 158 23.357 -38.147 15.635 1.00 44.36 C ATOM 1450 O THR A 158 23.747 -38.176 16.803 1.00 45.19 O ATOM 1451 CB THR A 158 24.108 -39.912 14.038 1.00 47.80 C ATOM 1452 OG1 THR A 158 24.531 -40.802 15.078 1.00 44.00 O ATOM 1453 CG2 THR A 158 24.858 -40.200 12.745 1.00 50.58 C ATOM 1454 OXT THR A 158 22.177 -37.871 15.423 1.00 45.12 O ATOM 1455 HG1 THR A 158 24.400 -41.738 14.783 1.00 0.00 H ATOM 1456 H THR A 158 26.275 -38.941 15.256 1.00 0.00 H TER 1457 THR A 158 HETATM 1458 O HOH 1 49.342 -4.219 -10.874 1.00 45.77 O HETATM 1459 O HOH 2 40.609 -40.029 13.941 1.00 46.59 O HETATM 1460 O HOH 3 26.628 -22.760 13.410 1.00 47.77 O HETATM 1461 O HOH 4 48.596 -25.189 -3.671 1.00 36.10 O HETATM 1462 O HOH 5 53.610 -8.047 -3.808 1.00 37.09 O HETATM 1463 O HOH 6 52.859 9.494 5.185 1.00 43.49 O HETATM 1464 O HOH 7 43.536 -4.488 -10.328 1.00 43.06 O HETATM 1465 O HOH 8 34.296 -9.349 -1.802 1.00 41.51 O HETATM 1466 O HOH 9 27.609 -37.679 9.893 1.00 47.38 O HETATM 1467 O HOH 10 46.205 -15.810 -12.971 1.00 48.61 O HETATM 1468 O HOH 11 30.578 -24.065 -5.360 1.00 43.04 O HETATM 1469 O HOH 12 33.461 -13.684 8.586 1.00 52.64 O HETATM 1470 O HOH 13 32.851 -23.443 13.483 1.00 38.94 O HETATM 1471 O HOH 14 50.457 2.641 7.344 1.00 37.60 O HETATM 1472 O HOH 15 57.162 -13.022 -8.550 1.00 46.03 O HETATM 1473 O HOH 16 29.395 -16.810 3.568 1.00 41.95 O HETATM 1474 O HOH 17 32.709 -27.926 18.663 1.00 28.84 O HETATM 1475 O HOH 18 34.786 -13.210 6.047 1.00 41.83 O HETATM 1476 O HOH 19 35.954 -23.985 13.471 1.00 35.97 O HETATM 1477 O HOH 20 36.352 -34.170 17.666 1.00 35.91 O HETATM 1478 O HOH 21 38.537 -20.599 12.297 1.00 42.14 O HETATM 1479 O HOH 22 34.096 -10.455 5.930 1.00 43.58 O HETATM 1480 O HOH 23 54.862 -8.762 7.260 1.00 45.60 O HETATM 1481 O HOH 24 52.300 -21.437 9.096 1.00 49.52 O HETATM 1482 O HOH 25 59.790 7.051 3.681 1.00 37.38 O HETATM 1483 O HOH 26 45.493 -2.210 4.519 1.00 41.46 O HETATM 1484 O HOH 27 53.432 -9.584 -12.331 1.00 42.29 O HETATM 1485 O HOH 28 33.207 -41.179 8.962 1.00 33.89 O HETATM 1486 O HOH 29 58.749 -13.867 -3.926 1.00 41.77 O HETATM 1487 O HOH 30 28.494 -23.600 -2.968 1.00 45.07 O HETATM 1488 O HOH 31 57.084 -1.461 4.474 1.00 38.71 O HETATM 1489 O HOH 32 39.288 -35.306 5.821 1.00 38.95 O HETATM 1490 O HOH 33 51.486 -24.761 -2.841 1.00 38.58 O HETATM 1491 O HOH 34 43.991 -8.039 -7.609 1.00 46.06 O HETATM 1492 O HOH 35 40.859 -20.275 12.237 1.00 40.26 O HETATM 1493 O HOH 36 53.025 -14.888 -8.129 1.00 42.32 O HETATM 1494 O HOH 37 52.747 3.786 8.171 1.00 44.20 O HETATM 1495 O HOH 38 26.992 -21.439 3.740 1.00 39.36 O HETATM 1496 O HOH 39 28.846 -21.793 14.097 1.00 44.84 O HETATM 1497 O HOH 40 30.225 -8.408 -4.653 1.00 43.03 O HETATM 1498 O HOH 41 24.840 -37.289 11.412 1.00 42.27 O HETATM 1499 O HOH 42 38.350 -5.326 -12.005 1.00 40.50 O HETATM 1500 O HOH 43 44.036 -8.467 -12.846 1.00 40.82 O HETATM 1501 O HOH 44 26.049 -12.086 6.986 1.00 39.51 O HETATM 1502 O HOH 45 43.786 -21.580 15.281 1.00 41.94 O HETATM 1503 O HOH 46 38.731 -8.782 -10.014 1.00 40.42 O HETATM 1504 O HOH 47 27.918 -19.296 11.919 1.00 44.43 O HETATM 1505 O HOH 48 48.918 -11.131 -15.711 1.00 43.98 O HETATM 1506 O HOH 49 58.453 -9.023 1.775 1.00 38.04 O HETATM 1507 O HOH 50 57.665 -3.520 -8.297 1.00 39.27 O HETATM 1508 O HOH 51 50.962 -8.439 -15.998 1.00 47.60 O HETATM 1509 O HOH 52 37.370 -19.567 -9.655 1.00 41.93 O HETATM 1510 O HOH 53 46.034 -7.373 12.784 1.00 42.87 O HETATM 1511 O HOH 54 37.015 -12.630 7.881 1.00 40.79 O HETATM 1512 O HOH 55 43.214 -38.625 14.533 1.00 46.40 O HETATM 1513 O HOH 56 42.325 -12.450 -15.517 1.00 42.29 O HETATM 1514 O HOH 57 23.823 -29.438 3.302 1.00 39.05 O HETATM 1515 O HOH 58 55.869 -2.500 6.444 1.00 37.21 O HETATM 1516 O HOH 59 37.998 -15.718 -13.085 1.00 41.68 O HETATM 1517 O HOH 60 59.849 -17.555 4.000 1.00 40.37 O HETATM 1518 O HOH 61 47.471 6.832 -3.161 1.00 42.53 O HETATM 1519 O HOH 62 57.479 -18.981 -1.432 1.00 42.40 O HETATM 1520 O HOH 63 45.993 -9.673 -16.548 1.00 44.84 O HETATM 1521 O HOH 64 53.168 -30.416 4.114 1.00 40.00 O HETATM 1522 O HOH 65 43.690 -33.891 16.590 1.00 41.21 O HETATM 1523 O HOH 66 42.323 -1.144 -13.425 1.00 41.97 O HETATM 1524 O HOH 67 57.923 -7.180 5.963 1.00 37.81 O HETATM 1525 O HOH 68 48.137 -32.893 12.886 1.00 45.27 O HETATM 1526 O HOH 69 38.876 -8.868 9.362 1.00 42.23 O HETATM 1527 O HOH 70 49.634 -9.709 13.231 1.00 40.02 O HETATM 1528 O HOH 71 38.025 -0.831 -5.069 1.00 42.29 O HETATM 1529 O HOH 72 39.599 -24.479 18.758 1.00 35.17 O HETATM 1530 O HOH 73 28.808 -23.271 -11.727 1.00 38.20 O HETATM 1531 O3 EJN A 74 53.521 -5.150 -6.017 1.00 -0.39 O HETATM 1532 C3 EJN A 74 54.245 -4.156 -5.304 1.00 0.11 C HETATM 1533 C4 EJN A 74 53.341 -3.444 -4.308 1.00 0.11 C HETATM 1534 C5 EJN A 74 54.147 -2.420 -3.513 1.00 0.11 C HETATM 1535 C6 EJN A 74 53.351 -1.772 -2.403 1.00 0.07 C HETATM 1536 O6 EJN A 74 52.805 -2.738 -1.515 1.00 -0.39 O HETATM 1537 H7 EJN A 74 52.313 -2.297 -0.833 1.00 0.21 H HETATM 1538 H5 EJN A 74 52.529 -1.190 -2.846 1.00 0.06 H HETATM 1539 H6 EJN A 74 54.012 -1.100 -1.836 1.00 0.06 H HETATM 1540 O5 EJN A 74 55.278 -3.058 -2.895 1.00 -0.34 O HETATM 1541 C1 EJN A 74 56.164 -3.682 -3.810 1.00 0.21 C HETATM 1542 C2 EJN A 74 55.431 -4.772 -4.580 1.00 0.14 C HETATM 1543 O2 EJN A 74 54.989 -5.788 -3.687 1.00 -0.38 O HETATM 1544 H15 EJN A 74 54.538 -6.465 -4.178 1.00 0.21 H HETATM 1545 H9 EJN A 74 56.115 -5.217 -5.318 1.00 0.07 H HETATM 1546 O1 EJN A 74 56.617 -2.750 -4.768 1.00 -0.28 O HETATM 1547 CAA EJN A 74 57.106 -1.536 -4.336 1.00 0.09 C HETATM 1548 CAB EJN A 74 57.372 -1.276 -3.002 1.00 -0.03 C HETATM 1549 CAC EJN A 74 57.825 -0.026 -2.624 1.00 -0.06 C HETATM 1550 CAD EJN A 74 58.028 0.983 -3.562 1.00 -0.03 C HETATM 1551 CAE EJN A 74 57.760 0.698 -4.899 1.00 -0.06 C HETATM 1552 CAF EJN A 74 57.304 -0.549 -5.287 1.00 -0.03 C HETATM 1553 H14 EJN A 74 57.102 -0.753 -6.332 1.00 0.05 H HETATM 1554 H13 EJN A 74 57.911 1.467 -5.648 1.00 0.06 H HETATM 1555 CAG EJN A 74 58.522 2.327 -3.142 1.00 0.04 C HETATM 1556 CAH EJN A 74 59.685 2.475 -2.403 1.00 0.16 C HETATM 1557 CAI EJN A 74 60.107 3.696 -1.927 1.00 0.19 C HETATM 1558 CAJ EJN A 74 59.364 4.820 -2.196 1.00 0.19 C HETATM 1559 CAK EJN A 74 58.215 4.722 -2.943 1.00 0.19 C HETATM 1560 CAL EJN A 74 57.812 3.489 -3.408 1.00 0.16 C HETATM 1561 FAL EJN A 74 56.690 3.427 -4.149 1.00 -0.19 F HETATM 1562 FAK EJN A 74 57.485 5.817 -3.212 1.00 -0.19 F HETATM 1563 FAJ EJN A 74 59.757 6.018 -1.719 1.00 -0.19 F HETATM 1564 FAI EJN A 74 61.234 3.780 -1.202 1.00 -0.19 F HETATM 1565 FAH EJN A 74 60.448 1.397 -2.147 1.00 -0.19 F HETATM 1566 H12 EJN A 74 58.026 0.173 -1.577 1.00 0.06 H HETATM 1567 H11 EJN A 74 57.225 -2.050 -2.257 1.00 0.05 H HETATM 1568 H8 EJN A 74 57.017 -4.109 -3.263 1.00 0.10 H HETATM 1569 H3 EJN A 74 54.496 -1.640 -4.206 1.00 0.06 H HETATM 1570 O4 EJN A 74 52.290 -2.777 -4.996 1.00 -0.39 O HETATM 1571 H4 EJN A 74 51.725 -2.344 -4.366 1.00 0.21 H HETATM 1572 H2 EJN A 74 52.911 -4.184 -3.617 1.00 0.06 H HETATM 1573 H10 EJN A 74 54.622 -3.416 -6.026 1.00 0.06 H HETATM 1574 H1 EJN A 74 54.101 -5.582 -6.633 1.00 0.21 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 26 25 376 CONECT 376 26 375 CONECT 1531 1532 1574 CONECT 1532 1531 1533 1542 1573 CONECT 1533 1532 1534 1570 1572 CONECT 1534 1533 1535 1540 1569 CONECT 1535 1534 1536 1538 1539 CONECT 1536 1535 1537 CONECT 1537 1536 CONECT 1538 1535 CONECT 1539 1535 CONECT 1540 1534 1541 CONECT 1541 1540 1542 1546 1568 CONECT 1542 1532 1541 1543 1545 CONECT 1543 1542 1544 CONECT 1544 1543 CONECT 1545 1542 CONECT 1546 1541 1547 CONECT 1547 1546 1548 1552 CONECT 1548 1547 1549 1567 CONECT 1549 1548 1550 1566 CONECT 1550 1549 1551 1555 CONECT 1551 1550 1552 1554 CONECT 1552 1547 1551 1553 CONECT 1553 1552 CONECT 1554 1551 CONECT 1555 1550 1556 1560 CONECT 1556 1555 1557 1565 CONECT 1557 1556 1558 1564 CONECT 1558 1557 1559 1563 CONECT 1559 1558 1560 1562 CONECT 1560 1555 1559 1561 CONECT 1561 1560 CONECT 1562 1559 CONECT 1563 1558 CONECT 1564 1557 CONECT 1565 1556 CONECT 1566 1549 CONECT 1567 1548 CONECT 1568 1541 CONECT 1569 1534 CONECT 1570 1533 1571 CONECT 1571 1570 CONECT 1572 1533 CONECT 1573 1532 CONECT 1574 1531 MASTER 0 0 0 0 0 0 0 0 1573 1 50 13 END
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Related entries of code: 6g2s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1tr7
RCSB PDB
PDBbind
164aa, >1TR7_1|Chains... at 96%
1uwf
RCSB PDB
PDBbind
158aa, >1UWF_1|Chain... at 100%
4att
RCSB PDB
PDBbind
158aa, >4ATT_1|Chain... at 100%
4auj
RCSB PDB
PDBbind
158aa, >4AUJ_1|Chain... at 100%
4auy
RCSB PDB
PDBbind
158aa, >4AUY_1|Chains... at 100%
4av0
RCSB PDB
PDBbind
158aa, >4AV0_1|Chains... at 100%
4av4
RCSB PDB
PDBbind
158aa, >4AV4_1|Chain... at 99%
4av5
RCSB PDB
PDBbind
158aa, >4AV5_1|Chains... at 100%
4avh
RCSB PDB
PDBbind
158aa, >4AVH_1|Chains... at 100%
4avi
RCSB PDB
PDBbind
158aa, >4AVI_1|Chains... at 100%
4avj
RCSB PDB
PDBbind
158aa, >4AVJ_1|Chains... at 100%
4buq
RCSB PDB
PDBbind
158aa, >4BUQ_1|Chains... at 100%
4ca4
RCSB PDB
PDBbind
158aa, >4CA4_1|Chains... at 99%
4css
RCSB PDB
PDBbind
163aa, >4CSS_1|Chain... at 97%
4cst
RCSB PDB
PDBbind
163aa, >4CST_1|Chain... at 97%
4lov
RCSB PDB
PDBbind
158aa, >4LOV_1|Chain... at 100%
4x50
RCSB PDB
PDBbind
160aa, >4X50_1|Chains... at 99%
4x5p
RCSB PDB
PDBbind
160aa, >4X5P_1|Chain... at 99%
4x5q
RCSB PDB
PDBbind
160aa, >4X5Q_1|Chain... at 99%
4x5r
RCSB PDB
PDBbind
160aa, >4X5R_1|Chains... at 99%
4xo8
RCSB PDB
PDBbind
158aa, >4XO8_1|Chains... at 100%
4xoc
RCSB PDB
PDBbind
159aa, >4XOC_1|Chains... at 98%
5f2f
RCSB PDB
PDBbind
158aa, >5F2F_1|Chain... at 100%
5fs5
RCSB PDB
PDBbind
158aa, >5FS5_1|Chain... at 99%
5fwr
RCSB PDB
PDBbind
158aa, >5FWR_1|Chains... at 100%
5mts
RCSB PDB
PDBbind
300aa, >5MTS_1|Chains... *
5muc
RCSB PDB
PDBbind
158aa, >5MUC_1|Chains... at 100%
6g2r
RCSB PDB
PDBbind
158aa, >6G2R_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6g2s
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Type 1 fimbrin D-mannose specific adhesin
Ligand Name
EJN
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=4.01nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chemmedchem Vol. 14: pp. 749-757
Ligand Properties
Formula
C
1
8
H
1
5
F
5
O
6
Molecular Weight
422.300
Exact Mass
422.079
No. of atoms
44
No. of bonds
46
Polar Surface Area
99.38
LOGP Value
1.89 (
Computed with XLOGP3
)
1.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H](Oc2ccc(cc2)c2c(F)c(F)c(c(c2F)F)F)[C@H]([C@H]([C@@H]1O)O)O
InChI String
InChI=1S/C18H15F5O6/c19-10-9(11(20)13(22)14(23)12(10)21)6-1-3-7(4-2-6)28-18-17(27)16(26)15(25)8(5-24)29-18/h1-4,8,15-18,24-27H,5H2/t8-,15-,16+,17+,18+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08191
Entrez Gene ID
NCBI Entrez Gene ID:
948847
ASD
Information of known allosteric effects of PDB entries
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