Browse entries in the PDBbind-CN Database
HEADER 5F2F_COMPLEX COMPND 5F2F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 44 PHE ALA CYS LYS THR ALA ASN GLY THR ALA ILE PRO ILE SEQRES 2 A 44 GLY GLY GLY SER ALA ASN VAL TYR VAL ASN LEU ALA PRO SEQRES 3 A 44 VAL VAL ASN VAL GLY GLN ASN LEU VAL VAL ASP LEU SER SEQRES 4 A 44 THR GLN ILE PHE CYS SEQRES 1 A 114 HIS ASN ASP TYR PRO GLU THR ILE THR ASP TYR VAL THR SEQRES 2 A 114 LEU GLN ARG GLY SER ALA TYR GLY GLY VAL LEU SER ASN SEQRES 3 A 114 PHE SER GLY THR VAL LYS TYR SER GLY SER SER TYR PRO SEQRES 4 A 114 PHE PRO THR THR SER GLU THR PRO ARG VAL VAL TYR ASN SEQRES 5 A 114 SER ARG THR ASP LYS PRO TRP PRO VAL ALA LEU TYR LEU SEQRES 6 A 114 THR PRO VAL SER SER ALA GLY GLY VAL ALA ILE LYS ALA SEQRES 7 A 114 GLY SER LEU ILE ALA VAL LEU ILE LEU ARG GLN THR ASN SEQRES 8 A 114 ASN TYR ASN SER ASP ASP PHE GLN PHE VAL TRP ASN ILE SEQRES 9 A 114 TYR ALA ASN ASN ASP VAL VAL VAL PRO THR HET UNN A 46 61 ATOM 1 N PHE A 1 -0.568 4.804 8.480 1.00 14.78 N ATOM 2 CA PHE A 1 0.429 4.089 7.631 1.00 15.32 C ATOM 3 C PHE A 1 1.662 3.736 8.464 1.00 14.45 C ATOM 4 O PHE A 1 2.275 4.595 9.100 1.00 15.77 O ATOM 5 CB PHE A 1 0.828 4.942 6.426 1.00 16.04 C ATOM 6 CG PHE A 1 1.835 4.283 5.512 1.00 15.00 C ATOM 7 CD1 PHE A 1 3.184 4.401 5.759 1.00 14.89 C ATOM 8 CD2 PHE A 1 1.420 3.537 4.407 1.00 12.44 C ATOM 9 CE1 PHE A 1 4.116 3.798 4.915 1.00 16.64 C ATOM 10 CE2 PHE A 1 2.346 2.932 3.572 1.00 16.99 C ATOM 11 CZ PHE A 1 3.694 3.067 3.830 1.00 13.94 C ATOM 12 HN3 PHE A 1 -0.142 5.677 8.852 1.00 0.00 H ATOM 13 HN2 PHE A 1 -0.851 4.191 9.271 1.00 0.00 H ATOM 14 HN1 PHE A 1 -1.403 5.041 7.907 1.00 0.00 H ATOM 15 N ALA A 2 2.026 2.459 8.422 1.00 13.64 N ATOM 16 CA ALA A 2 3.191 1.961 9.136 1.00 13.93 C ATOM 17 C ALA A 2 3.751 0.730 8.422 1.00 14.11 C ATOM 18 O ALA A 2 3.097 0.143 7.555 1.00 14.58 O ATOM 19 CB ALA A 2 2.830 1.629 10.597 1.00 16.73 C ATOM 20 H ALA A 2 1.459 1.793 7.860 1.00 0.00 H ATOM 21 N CYS A 3 4.963 0.343 8.793 1.00 14.86 N ATOM 22 CA CYS A 3 5.674 -0.726 8.102 1.00 13.23 C ATOM 23 C CYS A 3 6.338 -1.688 9.078 1.00 14.60 C ATOM 24 O CYS A 3 6.526 -1.390 10.268 1.00 14.99 O ATOM 25 CB CYS A 3 6.723 -0.163 7.137 1.00 13.69 C ATOM 26 SG CYS A 3 6.089 1.044 5.906 1.00 14.56 S ATOM 27 SG CYS A 3 5.690 -0.016 4.228 1.00 15.69 S ATOM 28 CB CYS A 3 3.892 -0.332 4.171 1.00 15.91 C ATOM 29 H CYS A 3 5.420 0.815 9.599 1.00 0.00 H ATOM 30 N LYS A 4 6.646 -2.868 8.558 1.00 14.87 N ATOM 31 CA LYS A 4 7.340 -3.902 9.328 1.00 14.20 C ATOM 32 C LYS A 4 8.323 -4.638 8.431 1.00 16.53 C ATOM 33 O LYS A 4 8.243 -4.553 7.205 1.00 15.75 O ATOM 34 CB LYS A 4 6.344 -4.886 9.913 1.00 17.93 C ATOM 35 CG LYS A 4 5.491 -5.551 8.847 1.00 21.33 C ATOM 36 CD LYS A 4 4.664 -6.735 9.372 1.00 25.21 C ATOM 37 CE LYS A 4 3.532 -6.258 10.240 1.00 27.25 C ATOM 38 NZ LYS A 4 2.492 -7.311 10.340 1.00 27.23 N ATOM 39 HZ1 LYS A 4 2.128 -7.528 9.390 1.00 0.00 H ATOM 40 HZ2 LYS A 4 2.907 -8.168 10.758 1.00 0.00 H ATOM 41 HZ3 LYS A 4 1.714 -6.972 10.942 1.00 0.00 H ATOM 42 H LYS A 4 6.386 -3.066 7.571 1.00 0.00 H ATOM 43 N THR A 5 9.234 -5.380 9.046 1.00 16.57 N ATOM 44 CA THR A 5 10.261 -6.101 8.305 1.00 16.22 C ATOM 45 C THR A 5 10.262 -7.597 8.556 1.00 17.96 C ATOM 46 O THR A 5 9.676 -8.111 9.527 1.00 17.91 O ATOM 47 CB THR A 5 11.666 -5.600 8.674 1.00 18.71 C ATOM 48 OG1 THR A 5 11.983 -6.032 10.002 1.00 19.03 O ATOM 49 CG2 THR A 5 11.742 -4.069 8.615 1.00 19.18 C ATOM 50 HG1 THR A 5 12.888 -5.712 10.245 1.00 0.00 H ATOM 51 H THR A 5 9.215 -5.449 10.084 1.00 0.00 H ATOM 52 N ALA A 6 11.010 -8.281 7.710 1.00 14.65 N ATOM 53 CA ALA A 6 11.210 -9.711 7.810 1.00 15.34 C ATOM 54 C ALA A 6 12.149 -10.088 8.957 1.00 16.52 C ATOM 55 O ALA A 6 12.403 -11.278 9.162 1.00 17.13 O ATOM 56 CB ALA A 6 11.761 -10.258 6.506 1.00 21.39 C ATOM 57 H ALA A 6 11.477 -7.768 6.935 1.00 0.00 H ATOM 58 N ASN A 7 12.718 -9.110 9.654 1.00 17.97 N ATOM 59 CA ASN A 7 13.470 -9.441 10.889 1.00 20.97 C ATOM 60 C ASN A 7 12.785 -9.017 12.167 1.00 21.25 C ATOM 61 O ASN A 7 13.394 -8.992 13.242 1.00 23.66 O ATOM 62 CB ASN A 7 14.879 -8.856 10.841 1.00 26.19 C ATOM 63 CG ASN A 7 14.889 -7.363 10.653 1.00 39.95 C ATOM 64 OD1 ASN A 7 14.759 -6.608 11.620 1.00 45.04 O ATOM 65 ND2 ASN A 7 15.046 -6.922 9.404 1.00 32.13 N ATOM 66 HD22 ASN A 7 15.152 -7.600 8.623 1.00 0.00 H ATOM 67 HD21 ASN A 7 15.063 -5.900 9.212 1.00 0.00 H ATOM 68 H ASN A 7 12.637 -8.123 9.337 1.00 0.00 H ATOM 69 N GLY A 8 11.495 -8.744 12.069 1.00 15.79 N ATOM 70 CA GLY A 8 10.683 -8.541 13.247 1.00 17.87 C ATOM 71 C GLY A 8 10.765 -7.136 13.808 1.00 25.38 C ATOM 72 O GLY A 8 10.281 -6.871 14.896 1.00 26.50 O ATOM 73 H GLY A 8 11.057 -8.674 11.128 1.00 0.00 H ATOM 74 N THR A 9 11.358 -6.225 13.058 1.00 17.19 N ATOM 75 CA THR A 9 11.346 -4.817 13.470 1.00 16.26 C ATOM 76 C THR A 9 10.285 -4.046 12.705 1.00 20.55 C ATOM 77 O THR A 9 9.654 -4.560 11.799 1.00 17.99 O ATOM 78 CB THR A 9 12.723 -4.163 13.294 1.00 18.65 C ATOM 79 OG1 THR A 9 13.166 -4.285 11.940 1.00 23.37 O ATOM 80 CG2 THR A 9 13.734 -4.825 14.220 1.00 26.50 C ATOM 81 HG1 THR A 9 13.232 -5.243 11.701 1.00 0.00 H ATOM 82 H THR A 9 11.833 -6.505 12.176 1.00 0.00 H ATOM 83 N ALA A 10 10.051 -2.811 13.125 1.00 16.22 N ATOM 84 CA ALA A 10 8.949 -2.037 12.590 1.00 14.25 C ATOM 85 C ALA A 10 9.322 -0.556 12.556 1.00 15.76 C ATOM 86 O ALA A 10 10.313 -0.137 13.145 1.00 16.34 O ATOM 87 CB ALA A 10 7.694 -2.236 13.415 1.00 21.50 C ATOM 88 H ALA A 10 10.668 -2.391 13.850 1.00 0.00 H ATOM 89 N ILE A 11 8.520 0.209 11.827 1.00 14.13 N ATOM 90 CA ILE A 11 8.595 1.666 11.850 1.00 17.42 C ATOM 91 C ILE A 11 7.144 2.150 11.963 1.00 18.34 C ATOM 92 O ILE A 11 6.328 1.787 11.152 1.00 16.62 O ATOM 93 CB ILE A 11 9.261 2.282 10.571 1.00 14.64 C ATOM 94 CG1 ILE A 11 10.667 1.731 10.343 1.00 14.81 C ATOM 95 CG2 ILE A 11 9.306 3.831 10.693 1.00 15.93 C ATOM 96 CD1 ILE A 11 11.320 2.246 9.064 1.00 15.57 C ATOM 97 H ILE A 11 7.812 -0.247 11.217 1.00 0.00 H ATOM 98 N PRO A 12 6.818 2.927 12.999 1.00 14.56 N ATOM 99 CA PRO A 12 5.435 3.325 13.234 1.00 15.95 C ATOM 100 C PRO A 12 4.975 4.503 12.356 1.00 17.57 C ATOM 101 O PRO A 12 5.761 5.071 11.602 1.00 15.11 O ATOM 102 CB PRO A 12 5.455 3.748 14.703 1.00 15.73 C ATOM 103 CG PRO A 12 6.811 4.335 14.872 1.00 15.32 C ATOM 104 CD PRO A 12 7.715 3.428 14.056 1.00 15.13 C ATOM 105 N ILE A 13 3.703 4.855 12.497 1.00 18.70 N ATOM 106 CA ILE A 13 3.189 6.140 12.025 1.00 16.11 C ATOM 107 C ILE A 13 4.213 7.234 12.242 1.00 14.78 C ATOM 108 O ILE A 13 4.853 7.324 13.302 1.00 15.68 O ATOM 109 CB ILE A 13 1.872 6.505 12.759 1.00 15.40 C ATOM 110 CG1 ILE A 13 0.755 5.596 12.244 1.00 17.69 C ATOM 111 CG2 ILE A 13 1.541 7.997 12.581 1.00 14.52 C ATOM 112 CD1 ILE A 13 -0.557 5.746 13.005 1.00 23.24 C ATOM 113 H ILE A 13 3.048 4.193 12.960 1.00 0.00 H ATOM 114 N GLY A 14 4.423 8.025 11.199 1.00 16.09 N ATOM 115 CA GLY A 14 5.331 9.145 11.245 1.00 16.73 C ATOM 116 C GLY A 14 6.731 8.872 10.745 1.00 16.32 C ATOM 117 O GLY A 14 7.533 9.792 10.648 1.00 16.54 O ATOM 118 H GLY A 14 3.913 7.831 10.313 1.00 0.00 H ATOM 119 N GLY A 15 7.035 7.608 10.447 1.00 17.62 N ATOM 120 CA GLY A 15 8.332 7.273 9.902 1.00 13.94 C ATOM 121 C GLY A 15 9.410 7.064 10.957 1.00 17.24 C ATOM 122 O GLY A 15 9.156 6.996 12.167 1.00 16.75 O ATOM 123 H GLY A 15 6.334 6.857 10.608 1.00 0.00 H ATOM 124 N GLY A 16 10.641 6.962 10.487 1.00 16.12 N ATOM 125 CA GLY A 16 11.764 6.569 11.319 1.00 20.06 C ATOM 126 C GLY A 16 12.676 5.648 10.524 1.00 18.92 C ATOM 127 O GLY A 16 12.626 5.661 9.286 1.00 16.35 O ATOM 128 H GLY A 16 10.812 7.171 9.483 1.00 0.00 H ATOM 129 N SER A 17 13.484 4.845 11.220 1.00 18.52 N ATOM 130 CA SER A 17 14.480 4.000 10.555 1.00 16.93 C ATOM 131 C SER A 17 14.372 2.552 10.993 1.00 20.35 C ATOM 132 O SER A 17 13.874 2.237 12.082 1.00 18.95 O ATOM 133 CB SER A 17 15.903 4.490 10.830 1.00 19.45 C ATOM 134 OG SER A 17 16.059 5.841 10.467 1.00 20.15 O ATOM 135 HG SER A 17 15.428 6.397 10.989 1.00 0.00 H ATOM 136 H SER A 17 13.405 4.818 12.257 1.00 0.00 H ATOM 137 N ALA A 18 14.841 1.665 10.128 1.00 15.95 N ATOM 138 CA ALA A 18 14.917 0.254 10.457 1.00 11.63 C ATOM 139 C ALA A 18 16.071 -0.368 9.695 1.00 18.78 C ATOM 140 O ALA A 18 16.482 0.139 8.638 1.00 18.11 O ATOM 141 CB ALA A 18 13.634 -0.435 10.140 1.00 15.12 C ATOM 142 H ALA A 18 15.162 1.987 9.193 1.00 0.00 H ATOM 143 N ASN A 19 16.610 -1.444 10.258 1.00 17.32 N ATOM 144 CA ASN A 19 17.599 -2.276 9.580 1.00 17.87 C ATOM 145 C ASN A 19 16.950 -3.491 8.941 1.00 19.97 C ATOM 146 O ASN A 19 16.004 -4.072 9.470 1.00 18.76 O ATOM 147 CB ASN A 19 18.669 -2.726 10.553 1.00 21.28 C ATOM 148 CG ASN A 19 19.338 -1.564 11.243 1.00 23.27 C ATOM 149 OD1 ASN A 19 19.636 -0.535 10.619 1.00 19.91 O ATOM 150 ND2 ASN A 19 19.560 -1.705 12.544 1.00 28.65 N ATOM 151 HD22 ASN A 19 19.293 -2.588 13.024 1.00 0.00 H ATOM 152 HD21 ASN A 19 20.001 -0.933 13.083 1.00 0.00 H ATOM 153 H ASN A 19 16.315 -1.704 11.221 1.00 0.00 H ATOM 154 N VAL A 20 17.484 -3.860 7.784 1.00 15.48 N ATOM 155 CA VAL A 20 16.999 -4.987 7.009 1.00 14.89 C ATOM 156 C VAL A 20 18.199 -5.823 6.637 1.00 16.06 C ATOM 157 O VAL A 20 19.214 -5.271 6.235 1.00 16.72 O ATOM 158 CB VAL A 20 16.265 -4.494 5.726 1.00 20.80 C ATOM 159 CG1 VAL A 20 15.908 -5.656 4.790 1.00 26.13 C ATOM 160 CG2 VAL A 20 15.042 -3.684 6.106 1.00 23.82 C ATOM 161 H VAL A 20 18.289 -3.315 7.414 1.00 0.00 H ATOM 162 N TYR A 21 18.076 -7.148 6.759 1.00 18.65 N ATOM 163 CA TYR A 21 19.194 -8.054 6.537 1.00 19.89 C ATOM 164 C TYR A 21 18.841 -9.023 5.453 1.00 22.72 C ATOM 165 O TYR A 21 17.861 -9.773 5.557 1.00 20.49 O ATOM 166 CB TYR A 21 19.546 -8.792 7.831 1.00 21.86 C ATOM 167 CG TYR A 21 19.843 -7.826 8.951 1.00 24.36 C ATOM 168 CD1 TYR A 21 18.845 -7.423 9.824 1.00 27.43 C ATOM 169 CD2 TYR A 21 21.114 -7.300 9.117 1.00 28.62 C ATOM 170 CE1 TYR A 21 19.109 -6.509 10.842 1.00 27.66 C ATOM 171 CE2 TYR A 21 21.382 -6.392 10.119 1.00 28.29 C ATOM 172 CZ TYR A 21 20.378 -6.002 10.976 1.00 26.79 C ATOM 173 OH TYR A 21 20.680 -5.096 11.974 1.00 34.32 O ATOM 174 HH TYR A 21 19.867 -4.911 12.507 1.00 0.00 H ATOM 175 H TYR A 21 17.151 -7.545 7.021 1.00 0.00 H ATOM 176 N VAL A 22 19.644 -9.018 4.405 1.00 17.13 N ATOM 177 CA VAL A 22 19.300 -9.767 3.217 1.00 16.81 C ATOM 178 C VAL A 22 20.324 -10.833 2.872 1.00 19.24 C ATOM 179 O VAL A 22 21.538 -10.605 2.904 1.00 18.41 O ATOM 180 CB VAL A 22 19.109 -8.827 1.984 1.00 21.58 C ATOM 181 CG1 VAL A 22 17.948 -7.889 2.229 1.00 25.71 C ATOM 182 CG2 VAL A 22 20.388 -8.059 1.668 1.00 19.79 C ATOM 183 H VAL A 22 20.529 -8.472 4.434 1.00 0.00 H ATOM 184 N ASN A 23 19.794 -12.019 2.579 1.00 17.36 N ATOM 185 CA ASN A 23 20.557 -13.092 1.977 1.00 19.23 C ATOM 186 C ASN A 23 20.771 -12.784 0.516 1.00 25.73 C ATOM 187 O ASN A 23 19.830 -12.419 -0.190 1.00 22.20 O ATOM 188 CB ASN A 23 19.820 -14.407 2.135 1.00 22.53 C ATOM 189 CG ASN A 23 19.646 -14.786 3.582 1.00 22.20 C ATOM 190 OD1 ASN A 23 20.514 -14.518 4.406 1.00 23.90 O ATOM 191 ND2 ASN A 23 18.520 -15.408 3.904 1.00 38.88 N ATOM 192 HD22 ASN A 23 17.812 -15.615 3.171 1.00 0.00 H ATOM 193 HD21 ASN A 23 18.345 -15.689 4.890 1.00 0.00 H ATOM 194 H ASN A 23 18.789 -12.181 2.792 1.00 0.00 H ATOM 195 N LEU A 24 22.011 -12.936 0.073 1.00 18.67 N ATOM 196 CA LEU A 24 22.415 -12.584 -1.287 1.00 15.58 C ATOM 197 C LEU A 24 23.000 -13.786 -2.010 1.00 23.42 C ATOM 198 O LEU A 24 23.669 -14.622 -1.407 1.00 18.76 O ATOM 199 CB LEU A 24 23.454 -11.460 -1.252 1.00 17.50 C ATOM 200 CG LEU A 24 23.015 -10.171 -0.558 1.00 17.36 C ATOM 201 CD1 LEU A 24 24.177 -9.289 -0.365 1.00 18.37 C ATOM 202 CD2 LEU A 24 21.981 -9.497 -1.433 1.00 18.73 C ATOM 203 H LEU A 24 22.727 -13.322 0.721 1.00 0.00 H ATOM 204 N ALA A 25 22.763 -13.872 -3.309 1.00 18.91 N ATOM 205 CA ALA A 25 23.456 -14.863 -4.134 1.00 15.61 C ATOM 206 C ALA A 25 24.962 -14.837 -3.844 1.00 17.06 C ATOM 207 O ALA A 25 25.574 -13.775 -3.907 1.00 18.40 O ATOM 208 CB ALA A 25 23.206 -14.579 -5.587 1.00 16.59 C ATOM 209 H ALA A 25 22.076 -13.227 -3.749 1.00 0.00 H ATOM 210 N PRO A 26 25.582 -16.004 -3.561 1.00 16.08 N ATOM 211 CA PRO A 26 26.995 -15.917 -3.148 1.00 13.86 C ATOM 212 C PRO A 26 27.982 -15.737 -4.276 1.00 17.49 C ATOM 213 O PRO A 26 29.108 -15.347 -4.006 1.00 17.38 O ATOM 214 CB PRO A 26 27.239 -17.263 -2.428 1.00 19.83 C ATOM 215 CG PRO A 26 26.253 -18.155 -2.951 1.00 23.90 C ATOM 216 CD PRO A 26 25.005 -17.307 -3.212 1.00 19.14 C ATOM 217 N VAL A 27 27.556 -15.985 -5.511 1.00 17.30 N ATOM 218 CA VAL A 27 28.401 -15.826 -6.680 1.00 16.72 C ATOM 219 C VAL A 27 27.646 -15.048 -7.730 1.00 19.22 C ATOM 220 O VAL A 27 26.510 -15.398 -8.075 1.00 18.61 O ATOM 221 CB VAL A 27 28.832 -17.193 -7.303 1.00 19.08 C ATOM 222 CG1 VAL A 27 29.794 -16.960 -8.477 1.00 22.31 C ATOM 223 CG2 VAL A 27 29.442 -18.109 -6.247 1.00 23.22 C ATOM 224 H VAL A 27 26.576 -16.306 -5.645 1.00 0.00 H ATOM 225 N VAL A 28 28.249 -13.963 -8.208 1.00 18.37 N ATOM 226 CA VAL A 28 27.657 -13.187 -9.296 1.00 17.52 C ATOM 227 C VAL A 28 28.729 -12.856 -10.315 1.00 15.23 C ATOM 228 O VAL A 28 29.761 -12.283 -9.982 1.00 16.66 O ATOM 229 CB VAL A 28 27.014 -11.863 -8.783 1.00 17.66 C ATOM 230 CG1 VAL A 28 26.386 -11.094 -9.943 1.00 19.24 C ATOM 231 CG2 VAL A 28 25.994 -12.136 -7.673 1.00 18.10 C ATOM 232 H VAL A 28 29.157 -13.662 -7.801 1.00 0.00 H ATOM 233 N ASN A 29 28.498 -13.227 -11.576 1.00 19.30 N ATOM 234 CA ASN A 29 29.488 -12.948 -12.612 1.00 14.58 C ATOM 235 C ASN A 29 29.403 -11.537 -13.181 1.00 18.50 C ATOM 236 O ASN A 29 28.330 -10.929 -13.211 1.00 18.26 O ATOM 237 CB ASN A 29 29.335 -13.915 -13.778 1.00 22.11 C ATOM 238 CG ASN A 29 29.464 -15.349 -13.340 1.00 28.86 C ATOM 239 OD1 ASN A 29 28.530 -16.141 -13.445 1.00 44.07 O ATOM 240 ND2 ASN A 29 30.613 -15.676 -12.801 1.00 26.71 N ATOM 241 HD22 ASN A 29 31.375 -14.971 -12.734 1.00 0.00 H ATOM 242 HD21 ASN A 29 30.763 -16.640 -12.441 1.00 0.00 H ATOM 243 H ASN A 29 27.613 -13.715 -11.821 1.00 0.00 H ATOM 244 N VAL A 30 30.531 -11.037 -13.657 1.00 20.28 N ATOM 245 CA VAL A 30 30.512 -9.799 -14.430 1.00 19.71 C ATOM 246 C VAL A 30 29.583 -10.085 -15.602 1.00 16.36 C ATOM 247 O VAL A 30 29.542 -11.204 -16.126 1.00 20.00 O ATOM 248 CB VAL A 30 31.911 -9.338 -14.895 1.00 24.16 C ATOM 249 CG1 VAL A 30 31.829 -7.922 -15.422 1.00 26.79 C ATOM 250 CG2 VAL A 30 32.916 -9.406 -13.731 1.00 32.61 C ATOM 251 H VAL A 30 31.432 -11.526 -13.481 1.00 0.00 H ATOM 252 N GLY A 31 28.738 -9.107 -15.923 1.00 17.26 N ATOM 253 CA GLY A 31 27.754 -9.252 -16.987 1.00 19.02 C ATOM 254 C GLY A 31 26.439 -9.884 -16.579 1.00 22.49 C ATOM 255 O GLY A 31 25.565 -10.066 -17.415 1.00 18.93 O ATOM 256 H GLY A 31 28.782 -8.211 -15.397 1.00 0.00 H ATOM 257 N GLN A 32 26.304 -10.206 -15.290 1.00 18.17 N ATOM 258 CA GLN A 32 25.070 -10.754 -14.744 1.00 18.79 C ATOM 259 C GLN A 32 24.624 -9.890 -13.554 1.00 15.21 C ATOM 260 O GLN A 32 25.378 -9.034 -13.072 1.00 16.53 O ATOM 261 CB GLN A 32 25.265 -12.232 -14.355 1.00 22.94 C ATOM 262 CG GLN A 32 25.789 -13.031 -15.578 1.00 30.49 C ATOM 263 CD GLN A 32 25.436 -14.519 -15.613 1.00 55.06 C ATOM 264 OE1 GLN A 32 25.071 -15.062 -16.664 1.00 55.83 O ATOM 265 NE2 GLN A 32 25.592 -15.187 -14.489 1.00 27.31 N ATOM 266 HE22 GLN A 32 25.900 -14.692 -13.628 1.00 0.00 H ATOM 267 HE21 GLN A 32 25.407 -16.210 -14.462 1.00 0.00 H ATOM 268 H GLN A 32 27.112 -10.060 -14.651 1.00 0.00 H ATOM 269 N ASN A 33 23.384 -10.099 -13.117 1.00 14.79 N ATOM 270 CA ASN A 33 22.793 -9.309 -12.044 1.00 16.68 C ATOM 271 C ASN A 33 22.701 -10.054 -10.733 1.00 20.00 C ATOM 272 O ASN A 33 22.306 -11.217 -10.700 1.00 15.72 O ATOM 273 CB ASN A 33 21.367 -8.869 -12.396 1.00 17.50 C ATOM 274 CG ASN A 33 21.322 -7.892 -13.554 1.00 19.80 C ATOM 275 OD1 ASN A 33 22.144 -6.996 -13.642 1.00 22.09 O ATOM 276 ND2 ASN A 33 20.364 -8.087 -14.468 1.00 19.42 N ATOM 277 HD22 ASN A 33 19.684 -8.865 -14.351 1.00 0.00 H ATOM 278 HD21 ASN A 33 20.299 -7.460 -15.295 1.00 0.00 H ATOM 279 H ASN A 33 22.817 -10.852 -13.556 1.00 0.00 H ATOM 280 N LEU A 34 23.045 -9.339 -9.674 1.00 16.45 N ATOM 281 CA LEU A 34 22.686 -9.691 -8.311 1.00 14.08 C ATOM 282 C LEU A 34 21.350 -9.035 -8.022 1.00 16.99 C ATOM 283 O LEU A 34 21.240 -7.810 -8.098 1.00 16.69 O ATOM 284 CB LEU A 34 23.762 -9.199 -7.341 1.00 15.96 C ATOM 285 CG LEU A 34 23.454 -9.338 -5.844 1.00 17.20 C ATOM 286 CD1 LEU A 34 23.406 -10.781 -5.434 1.00 20.99 C ATOM 287 CD2 LEU A 34 24.518 -8.566 -5.055 1.00 19.24 C ATOM 288 H LEU A 34 23.604 -8.476 -9.826 1.00 0.00 H ATOM 289 N VAL A 35 20.331 -9.828 -7.709 1.00 15.04 N ATOM 290 CA VAL A 35 19.015 -9.278 -7.459 1.00 14.15 C ATOM 291 C VAL A 35 18.768 -9.214 -5.945 1.00 19.93 C ATOM 292 O VAL A 35 18.885 -10.225 -5.238 1.00 20.75 O ATOM 293 CB VAL A 35 17.919 -10.110 -8.170 1.00 19.99 C ATOM 294 CG1 VAL A 35 16.529 -9.531 -7.856 1.00 21.82 C ATOM 295 CG2 VAL A 35 18.188 -10.137 -9.694 1.00 25.92 C ATOM 296 H VAL A 35 20.480 -10.855 -7.643 1.00 0.00 H ATOM 297 N VAL A 36 18.459 -8.017 -5.455 1.00 14.90 N ATOM 298 CA VAL A 36 18.203 -7.797 -4.032 1.00 17.24 C ATOM 299 C VAL A 36 16.733 -7.401 -3.934 1.00 17.87 C ATOM 300 O VAL A 36 16.377 -6.244 -4.179 1.00 16.58 O ATOM 301 CB VAL A 36 19.100 -6.712 -3.440 1.00 18.26 C ATOM 302 CG1 VAL A 36 18.888 -6.595 -1.920 1.00 21.58 C ATOM 303 CG2 VAL A 36 20.568 -6.979 -3.781 1.00 19.59 C ATOM 304 H VAL A 36 18.397 -7.209 -6.107 1.00 0.00 H ATOM 305 N ASP A 37 15.890 -8.376 -3.621 1.00 15.71 N ATOM 306 CA ASP A 37 14.436 -8.179 -3.610 1.00 19.16 C ATOM 307 C ASP A 37 13.974 -7.745 -2.222 1.00 18.99 C ATOM 308 O ASP A 37 13.974 -8.548 -1.295 1.00 20.83 O ATOM 309 CB ASP A 37 13.718 -9.473 -4.021 1.00 21.76 C ATOM 310 CG ASP A 37 12.208 -9.295 -4.220 1.00 22.27 C ATOM 311 OD1 ASP A 37 11.659 -8.189 -4.011 1.00 16.33 O ATOM 312 OD2 ASP A 37 11.550 -10.290 -4.599 1.00 26.40 O ATOM 313 H ASP A 37 16.272 -9.311 -3.375 1.00 0.00 H ATOM 314 N LEU A 38 13.571 -6.488 -2.072 1.00 15.87 N ATOM 315 CA LEU A 38 13.107 -6.012 -0.770 1.00 16.75 C ATOM 316 C LEU A 38 11.610 -6.254 -0.564 1.00 15.32 C ATOM 317 O LEU A 38 11.077 -5.999 0.514 1.00 16.58 O ATOM 318 CB LEU A 38 13.411 -4.525 -0.592 1.00 14.53 C ATOM 319 CG LEU A 38 14.872 -4.064 -0.438 1.00 21.53 C ATOM 320 CD1 LEU A 38 15.593 -4.927 0.610 1.00 21.14 C ATOM 321 CD2 LEU A 38 15.643 -4.101 -1.755 1.00 19.74 C ATOM 322 H LEU A 38 13.586 -5.839 -2.885 1.00 0.00 H ATOM 323 N SER A 39 10.923 -6.761 -1.582 1.00 13.24 N ATOM 324 CA SER A 39 9.480 -7.019 -1.456 1.00 16.00 C ATOM 325 C SER A 39 9.232 -8.202 -0.518 1.00 16.23 C ATOM 326 O SER A 39 8.115 -8.424 -0.102 1.00 15.06 O ATOM 327 CB SER A 39 8.823 -7.289 -2.811 1.00 18.21 C ATOM 328 OG SER A 39 9.211 -8.534 -3.342 1.00 17.01 O ATOM 329 HG SER A 39 10.193 -8.548 -3.464 1.00 0.00 H ATOM 330 H SER A 39 11.409 -6.977 -2.475 1.00 0.00 H ATOM 331 N THR A 40 10.279 -8.955 -0.197 1.00 14.49 N ATOM 332 CA THR A 40 10.148 -10.036 0.773 1.00 14.14 C ATOM 333 C THR A 40 10.701 -9.599 2.118 1.00 17.67 C ATOM 334 O THR A 40 10.805 -10.408 3.049 1.00 16.73 O ATOM 335 CB THR A 40 10.887 -11.288 0.301 1.00 18.09 C ATOM 336 OG1 THR A 40 12.251 -10.948 0.051 1.00 18.97 O ATOM 337 CG2 THR A 40 10.261 -11.834 -0.981 1.00 18.58 C ATOM 338 HG1 THR A 40 12.740 -11.753 -0.256 1.00 0.00 H ATOM 339 H THR A 40 11.201 -8.772 -0.642 1.00 0.00 H ATOM 340 N GLN A 41 11.067 -8.317 2.219 1.00 14.90 N ATOM 341 CA GLN A 41 11.733 -7.790 3.406 1.00 15.43 C ATOM 342 C GLN A 41 10.936 -6.701 4.097 1.00 14.43 C ATOM 343 O GLN A 41 11.022 -6.564 5.321 1.00 16.19 O ATOM 344 CB GLN A 41 13.107 -7.219 3.055 1.00 17.29 C ATOM 345 CG GLN A 41 14.122 -8.226 2.542 1.00 16.94 C ATOM 346 CD GLN A 41 14.593 -9.176 3.640 1.00 24.77 C ATOM 347 OE1 GLN A 41 14.433 -8.896 4.829 1.00 26.32 O ATOM 348 NE2 GLN A 41 15.202 -10.276 3.247 1.00 28.26 N ATOM 349 HE22 GLN A 41 15.316 -10.473 2.232 1.00 0.00 H ATOM 350 HE21 GLN A 41 15.569 -10.947 3.952 1.00 0.00 H ATOM 351 H GLN A 41 10.871 -7.674 1.425 1.00 0.00 H ATOM 352 N ILE A 42 10.216 -5.903 3.310 1.00 13.52 N ATOM 353 CA ILE A 42 9.596 -4.674 3.805 1.00 14.21 C ATOM 354 C ILE A 42 8.131 -4.681 3.423 1.00 16.22 C ATOM 355 O ILE A 42 7.806 -4.836 2.248 1.00 15.83 O ATOM 356 CB ILE A 42 10.287 -3.445 3.215 1.00 13.86 C ATOM 357 CG1 ILE A 42 11.744 -3.393 3.661 1.00 16.33 C ATOM 358 CG2 ILE A 42 9.549 -2.129 3.608 1.00 15.20 C ATOM 359 CD1 ILE A 42 12.596 -2.402 2.883 1.00 18.58 C ATOM 360 H ILE A 42 10.091 -6.162 2.311 1.00 0.00 H ATOM 361 N PHE A 43 7.258 -4.495 4.408 1.00 13.08 N ATOM 362 CA PHE A 43 5.808 -4.537 4.198 1.00 12.24 C ATOM 363 C PHE A 43 5.158 -3.347 4.889 1.00 15.70 C ATOM 364 O PHE A 43 5.618 -2.938 5.963 1.00 15.26 O ATOM 365 CB PHE A 43 5.219 -5.837 4.751 1.00 14.38 C ATOM 366 CG PHE A 43 5.952 -7.049 4.311 1.00 14.96 C ATOM 367 CD1 PHE A 43 7.132 -7.435 4.948 1.00 16.83 C ATOM 368 CD2 PHE A 43 5.493 -7.788 3.225 1.00 16.23 C ATOM 369 CE1 PHE A 43 7.847 -8.547 4.509 1.00 19.66 C ATOM 370 CE2 PHE A 43 6.196 -8.913 2.796 1.00 16.60 C ATOM 371 CZ PHE A 43 7.371 -9.285 3.445 1.00 14.92 C ATOM 372 H PHE A 43 7.618 -4.312 5.366 1.00 0.00 H ATOM 373 N CYS A 44 4.102 -2.800 4.287 1.00 13.33 N ATOM 374 HN3 CYS A 44 4.305 -1.803 4.073 1.00 0.00 H ATOM 375 HN2 CYS A 44 3.276 -2.860 4.916 1.00 0.00 H ATOM 376 HN1 CYS A 44 3.904 -3.312 3.404 1.00 0.00 H TER 377 CYS A 44 ATOM 378 N HIS A 45 1.160 -0.940 5.421 1.00 14.94 N ATOM 379 CA HIS A 45 -0.294 -0.942 5.314 1.00 13.79 C ATOM 380 C HIS A 45 -0.833 0.444 5.595 1.00 14.46 C ATOM 381 O HIS A 45 -0.142 1.284 6.183 1.00 14.61 O ATOM 382 CB HIS A 45 -0.910 -1.940 6.303 1.00 16.85 C ATOM 383 CG HIS A 45 -0.774 -1.495 7.721 1.00 17.97 C ATOM 384 ND1 HIS A 45 0.340 -1.776 8.476 1.00 15.61 N ATOM 385 CD2 HIS A 45 -1.568 -0.711 8.494 1.00 18.71 C ATOM 386 CE1 HIS A 45 0.219 -1.203 9.666 1.00 18.49 C ATOM 387 NE2 HIS A 45 -0.930 -0.555 9.701 1.00 18.01 N ATOM 388 H HIS A 45 1.622 -0.260 6.058 1.00 0.00 H ATOM 389 N ASN A 46 -2.091 0.625 5.223 1.00 16.64 N ATOM 390 CA ASN A 46 -2.864 1.853 5.408 1.00 14.32 C ATOM 391 C ASN A 46 -3.720 1.725 6.671 1.00 17.26 C ATOM 392 O ASN A 46 -4.382 0.716 6.862 1.00 16.27 O ATOM 393 CB ASN A 46 -3.698 2.054 4.130 1.00 15.08 C ATOM 394 CG ASN A 46 -4.565 3.275 4.148 1.00 17.08 C ATOM 395 OD1 ASN A 46 -5.035 3.721 5.198 1.00 17.71 O ATOM 396 ND2 ASN A 46 -4.836 3.801 2.955 1.00 17.34 N ATOM 397 HD22 ASN A 46 -4.415 3.389 2.098 1.00 0.00 H ATOM 398 HD21 ASN A 46 -5.468 4.623 2.881 1.00 0.00 H ATOM 399 H ASN A 46 -2.570 -0.174 4.760 1.00 0.00 H ATOM 400 N ASP A 47 -3.692 2.722 7.553 1.00 18.01 N ATOM 401 CA ASP A 47 -4.409 2.609 8.840 1.00 16.90 C ATOM 402 C ASP A 47 -5.842 3.167 8.798 1.00 18.80 C ATOM 403 O ASP A 47 -6.567 3.083 9.796 1.00 20.30 O ATOM 404 CB ASP A 47 -3.614 3.308 9.942 1.00 15.98 C ATOM 405 CG ASP A 47 -2.410 2.487 10.398 1.00 14.94 C ATOM 406 OD1 ASP A 47 -1.278 3.023 10.410 1.00 17.14 O ATOM 407 OD2 ASP A 47 -2.619 1.291 10.682 1.00 17.88 O ATOM 408 H ASP A 47 -3.160 3.589 7.334 1.00 0.00 H ATOM 409 N TYR A 48 -6.265 3.708 7.655 1.00 16.71 N ATOM 410 CA TYR A 48 -7.626 4.238 7.544 1.00 18.19 C ATOM 411 C TYR A 48 -8.092 4.159 6.100 1.00 18.39 C ATOM 412 O TYR A 48 -8.439 5.164 5.497 1.00 20.10 O ATOM 413 CB TYR A 48 -7.674 5.679 8.053 1.00 22.45 C ATOM 414 CG TYR A 48 -9.056 6.282 8.245 1.00 22.32 C ATOM 415 CD1 TYR A 48 -10.207 5.492 8.270 1.00 22.66 C ATOM 416 CD2 TYR A 48 -9.204 7.651 8.414 1.00 22.67 C ATOM 417 CE1 TYR A 48 -11.462 6.061 8.471 1.00 29.24 C ATOM 418 CE2 TYR A 48 -10.442 8.217 8.626 1.00 24.94 C ATOM 419 CZ TYR A 48 -11.563 7.422 8.648 1.00 35.68 C ATOM 420 OH TYR A 48 -12.777 8.018 8.842 1.00 34.61 O ATOM 421 HH TYR A 48 -13.487 7.328 8.834 1.00 0.00 H ATOM 422 H TYR A 48 -5.624 3.754 6.837 1.00 0.00 H ATOM 423 N PRO A 49 -8.109 2.944 5.547 1.00 15.02 N ATOM 424 CA PRO A 49 -8.294 2.795 4.098 1.00 21.13 C ATOM 425 C PRO A 49 -9.703 3.152 3.614 1.00 19.13 C ATOM 426 O PRO A 49 -9.873 3.403 2.407 1.00 20.73 O ATOM 427 CB PRO A 49 -7.991 1.308 3.864 1.00 24.19 C ATOM 428 CG PRO A 49 -8.322 0.660 5.161 1.00 23.10 C ATOM 429 CD PRO A 49 -7.956 1.647 6.228 1.00 19.49 C ATOM 430 N GLU A 50 -10.668 3.161 4.532 1.00 23.66 N ATOM 431 CA GLU A 50 -12.037 3.613 4.265 1.00 26.48 C ATOM 432 C GLU A 50 -12.086 5.024 3.715 1.00 26.06 C ATOM 433 O GLU A 50 -12.955 5.364 2.921 1.00 27.48 O ATOM 434 CB GLU A 50 -12.874 3.564 5.554 1.00 31.41 C ATOM 435 CG GLU A 50 -13.120 2.163 6.100 1.00 44.71 C ATOM 436 CD GLU A 50 -12.023 1.651 7.032 1.00 45.19 C ATOM 437 OE1 GLU A 50 -11.012 2.356 7.241 1.00 26.53 O ATOM 438 OE2 GLU A 50 -12.180 0.526 7.564 1.00 52.64 O ATOM 439 H GLU A 50 -10.438 2.829 5.490 1.00 0.00 H ATOM 440 N THR A 51 -11.146 5.846 4.147 1.00 23.25 N ATOM 441 CA THR A 51 -11.216 7.282 3.907 1.00 23.83 C ATOM 442 C THR A 51 -9.951 7.833 3.269 1.00 21.94 C ATOM 443 O THR A 51 -10.004 8.798 2.496 1.00 24.62 O ATOM 444 CB THR A 51 -11.491 8.006 5.233 1.00 25.39 C ATOM 445 OG1 THR A 51 -12.811 7.666 5.671 1.00 28.26 O ATOM 446 CG2 THR A 51 -11.392 9.511 5.085 1.00 27.70 C ATOM 447 HG1 THR A 51 -13.002 8.126 6.526 1.00 0.00 H ATOM 448 H THR A 51 -10.336 5.459 4.671 1.00 0.00 H ATOM 449 N ILE A 52 -8.811 7.227 3.590 1.00 19.19 N ATOM 450 CA ILE A 52 -7.536 7.811 3.195 1.00 15.61 C ATOM 451 C ILE A 52 -6.859 6.917 2.165 1.00 14.03 C ATOM 452 O ILE A 52 -6.837 5.708 2.318 1.00 17.17 O ATOM 453 CB ILE A 52 -6.583 8.009 4.407 1.00 15.49 C ATOM 454 CG1 ILE A 52 -7.232 8.936 5.441 1.00 18.33 C ATOM 455 CG2 ILE A 52 -5.224 8.576 3.924 1.00 17.18 C ATOM 456 CD1 ILE A 52 -6.361 9.247 6.657 1.00 17.97 C ATOM 457 H ILE A 52 -8.830 6.335 4.124 1.00 0.00 H ATOM 458 N THR A 53 -6.361 7.529 1.102 1.00 16.15 N ATOM 459 CA THR A 53 -5.435 6.855 0.191 1.00 16.46 C ATOM 460 C THR A 53 -4.007 7.236 0.514 1.00 15.26 C ATOM 461 O THR A 53 -3.682 8.426 0.573 1.00 19.14 O ATOM 462 CB THR A 53 -5.746 7.233 -1.264 1.00 20.88 C ATOM 463 OG1 THR A 53 -7.122 6.942 -1.515 1.00 21.55 O ATOM 464 CG2 THR A 53 -4.877 6.443 -2.230 1.00 21.32 C ATOM 465 HG1 THR A 53 -7.285 5.976 -1.371 1.00 0.00 H ATOM 466 H THR A 53 -6.635 8.514 0.909 1.00 0.00 H ATOM 467 N ASP A 54 -3.163 6.231 0.761 1.00 15.38 N ATOM 468 CA ASP A 54 -1.747 6.475 1.030 1.00 14.35 C ATOM 469 C ASP A 54 -0.942 6.367 -0.256 1.00 15.06 C ATOM 470 O ASP A 54 -1.198 5.486 -1.066 1.00 16.62 O ATOM 471 CB ASP A 54 -1.200 5.484 2.059 1.00 15.69 C ATOM 472 CG ASP A 54 -1.676 5.790 3.473 1.00 17.47 C ATOM 473 OD1 ASP A 54 -1.834 6.997 3.800 1.00 17.13 O ATOM 474 OD2 ASP A 54 -1.865 4.830 4.255 1.00 14.11 O ATOM 475 H ASP A 54 -3.521 5.254 0.762 1.00 0.00 H ATOM 476 N TYR A 55 0.015 7.270 -0.410 1.00 16.05 N ATOM 477 CA TYR A 55 0.923 7.314 -1.548 1.00 14.60 C ATOM 478 C TYR A 55 2.351 7.068 -1.092 1.00 14.76 C ATOM 479 O TYR A 55 2.829 7.712 -0.161 1.00 16.89 O ATOM 480 CB TYR A 55 0.866 8.658 -2.260 1.00 16.64 C ATOM 481 CG TYR A 55 -0.499 9.094 -2.709 1.00 17.29 C ATOM 482 CD1 TYR A 55 -1.242 8.304 -3.562 1.00 18.63 C ATOM 483 CD2 TYR A 55 -1.041 10.308 -2.279 1.00 19.68 C ATOM 484 CE1 TYR A 55 -2.510 8.696 -3.982 1.00 24.67 C ATOM 485 CE2 TYR A 55 -2.285 10.704 -2.689 1.00 22.22 C ATOM 486 CZ TYR A 55 -3.015 9.903 -3.545 1.00 24.03 C ATOM 487 OH TYR A 55 -4.269 10.294 -3.952 1.00 29.20 O ATOM 488 HH TYR A 55 -4.647 9.608 -4.558 1.00 0.00 H ATOM 489 H TYR A 55 0.125 7.994 0.329 1.00 0.00 H ATOM 490 N VAL A 56 3.044 6.158 -1.773 1.00 13.85 N ATOM 491 CA VAL A 56 4.366 5.717 -1.353 1.00 12.97 C ATOM 492 C VAL A 56 5.310 5.730 -2.536 1.00 13.53 C ATOM 493 O VAL A 56 5.033 5.088 -3.571 1.00 16.85 O ATOM 494 CB VAL A 56 4.309 4.315 -0.741 1.00 17.62 C ATOM 495 CG1 VAL A 56 5.711 3.798 -0.424 1.00 16.79 C ATOM 496 CG2 VAL A 56 3.405 4.338 0.516 1.00 17.29 C ATOM 497 H VAL A 56 2.627 5.749 -2.633 1.00 0.00 H ATOM 498 N THR A 57 6.428 6.440 -2.376 1.00 16.40 N ATOM 499 CA THR A 57 7.491 6.469 -3.393 1.00 14.79 C ATOM 500 C THR A 57 8.817 5.911 -2.844 1.00 16.98 C ATOM 501 O THR A 57 9.059 5.865 -1.631 1.00 14.81 O ATOM 502 CB THR A 57 7.782 7.899 -3.896 1.00 20.13 C ATOM 503 OG1 THR A 57 8.330 8.647 -2.811 1.00 18.25 O ATOM 504 CG2 THR A 57 6.555 8.588 -4.402 1.00 15.57 C ATOM 505 HG1 THR A 57 8.524 9.570 -3.113 1.00 0.00 H ATOM 506 H THR A 57 6.552 6.992 -1.503 1.00 0.00 H ATOM 507 N LEU A 58 9.697 5.502 -3.747 1.00 16.86 N ATOM 508 CA LEU A 58 11.107 5.435 -3.409 1.00 16.14 C ATOM 509 C LEU A 58 11.669 6.840 -3.672 1.00 18.49 C ATOM 510 O LEU A 58 11.816 7.258 -4.822 1.00 15.57 O ATOM 511 CB LEU A 58 11.818 4.365 -4.237 1.00 15.04 C ATOM 512 CG LEU A 58 13.333 4.302 -4.089 1.00 15.19 C ATOM 513 CD1 LEU A 58 13.726 3.832 -2.682 1.00 18.34 C ATOM 514 CD2 LEU A 58 13.908 3.384 -5.184 1.00 16.41 C ATOM 515 H LEU A 58 9.377 5.229 -4.698 1.00 0.00 H ATOM 516 N GLN A 59 11.953 7.570 -2.593 1.00 16.56 N ATOM 517 CA GLN A 59 12.446 8.944 -2.689 1.00 14.05 C ATOM 518 C GLN A 59 13.924 8.981 -3.061 1.00 15.68 C ATOM 519 O GLN A 59 14.353 9.818 -3.844 1.00 16.17 O ATOM 520 CB GLN A 59 12.222 9.675 -1.372 1.00 19.62 C ATOM 521 CG GLN A 59 12.715 11.108 -1.396 1.00 22.00 C ATOM 522 CD GLN A 59 12.433 11.831 -0.109 1.00 42.90 C ATOM 523 OE1 GLN A 59 11.832 11.275 0.808 1.00 31.89 O ATOM 524 NE2 GLN A 59 12.857 13.088 -0.031 1.00 60.91 N ATOM 525 HE22 GLN A 59 13.362 13.517 -0.833 1.00 0.00 H ATOM 526 HE21 GLN A 59 12.684 13.643 0.832 1.00 0.00 H ATOM 527 H GLN A 59 11.820 7.149 -1.652 1.00 0.00 H ATOM 528 N ARG A 60 14.696 8.071 -2.475 1.00 15.17 N ATOM 529 CA ARG A 60 16.115 7.998 -2.728 1.00 18.85 C ATOM 530 C ARG A 60 16.656 6.625 -2.420 1.00 19.57 C ATOM 531 O ARG A 60 16.242 5.987 -1.456 1.00 17.47 O ATOM 532 CB ARG A 60 16.824 9.033 -1.876 1.00 15.81 C ATOM 533 CG ARG A 60 18.262 9.212 -2.162 1.00 19.02 C ATOM 534 CD ARG A 60 18.735 10.115 -1.053 1.00 26.66 C ATOM 535 NE ARG A 60 19.983 10.773 -1.316 1.00 32.68 N ATOM 536 CZ ARG A 60 20.551 11.635 -0.481 1.00 25.49 C ATOM 537 NH1 ARG A 60 19.982 11.920 0.690 1.00 34.21 N ATOM 538 NH2 ARG A 60 21.682 12.215 -0.820 1.00 25.45 N ATOM 539 HE ARG A 60 20.470 10.563 -2.211 1.00 0.00 H ATOM 540 HH12 ARG A 60 20.435 12.597 1.337 1.00 0.00 H ATOM 541 HH11 ARG A 60 19.085 11.466 0.957 1.00 0.00 H ATOM 542 HH22 ARG A 60 22.134 12.892 -0.172 1.00 0.00 H ATOM 543 HH21 ARG A 60 22.124 11.997 -1.736 1.00 0.00 H ATOM 544 H ARG A 60 14.265 7.392 -1.815 1.00 0.00 H ATOM 545 N GLY A 61 17.590 6.183 -3.253 1.00 14.56 N ATOM 546 CA GLY A 61 18.301 4.936 -3.049 1.00 15.16 C ATOM 547 C GLY A 61 19.778 5.191 -3.198 1.00 14.64 C ATOM 548 O GLY A 61 20.242 5.684 -4.247 1.00 17.57 O ATOM 549 H GLY A 61 17.822 6.756 -4.089 1.00 0.00 H ATOM 550 N SER A 62 20.507 4.910 -2.127 1.00 14.82 N ATOM 551 CA SER A 62 21.935 5.136 -2.055 1.00 14.42 C ATOM 552 C SER A 62 22.683 3.818 -1.891 1.00 15.79 C ATOM 553 O SER A 62 22.196 2.906 -1.234 1.00 17.23 O ATOM 554 CB SER A 62 22.256 6.084 -0.885 1.00 17.12 C ATOM 555 OG SER A 62 21.525 7.294 -1.010 1.00 20.64 O ATOM 556 HG SER A 62 20.555 7.094 -1.006 1.00 0.00 H ATOM 557 H SER A 62 20.029 4.507 -1.296 1.00 0.00 H ATOM 558 N ALA A 63 23.874 3.737 -2.483 1.00 15.97 N ATOM 559 CA ALA A 63 24.758 2.557 -2.375 1.00 15.02 C ATOM 560 C ALA A 63 25.873 2.793 -1.377 1.00 19.63 C ATOM 561 O ALA A 63 26.373 3.915 -1.253 1.00 16.50 O ATOM 562 CB ALA A 63 25.374 2.208 -3.738 1.00 17.38 C ATOM 563 H ALA A 63 24.199 4.546 -3.050 1.00 0.00 H ATOM 564 N TYR A 64 26.276 1.719 -0.695 1.00 16.99 N ATOM 565 CA TYR A 64 27.360 1.766 0.277 1.00 18.04 C ATOM 566 C TYR A 64 28.293 0.577 0.130 1.00 18.89 C ATOM 567 O TYR A 64 27.955 -0.419 -0.495 1.00 16.92 O ATOM 568 CB TYR A 64 26.803 1.811 1.727 1.00 17.97 C ATOM 569 CG TYR A 64 26.139 3.129 2.005 1.00 20.31 C ATOM 570 CD1 TYR A 64 24.801 3.340 1.702 1.00 22.26 C ATOM 571 CD2 TYR A 64 26.866 4.178 2.536 1.00 23.30 C ATOM 572 CE1 TYR A 64 24.197 4.565 1.922 1.00 19.84 C ATOM 573 CE2 TYR A 64 26.266 5.405 2.772 1.00 29.02 C ATOM 574 CZ TYR A 64 24.935 5.590 2.458 1.00 34.85 C ATOM 575 OH TYR A 64 24.342 6.812 2.669 1.00 35.80 O ATOM 576 HH TYR A 64 24.812 7.502 2.137 1.00 0.00 H ATOM 577 H TYR A 64 25.797 0.812 -0.864 1.00 0.00 H ATOM 578 N GLY A 65 29.476 0.692 0.728 1.00 18.71 N ATOM 579 CA GLY A 65 30.387 -0.430 0.822 1.00 18.62 C ATOM 580 C GLY A 65 30.759 -1.027 -0.510 1.00 19.42 C ATOM 581 O GLY A 65 31.127 -0.330 -1.471 1.00 19.30 O ATOM 582 H GLY A 65 29.753 1.607 1.137 1.00 0.00 H ATOM 583 N GLY A 66 30.637 -2.344 -0.568 1.00 17.84 N ATOM 584 CA GLY A 66 30.987 -3.093 -1.760 1.00 18.78 C ATOM 585 C GLY A 66 30.051 -2.834 -2.929 1.00 17.59 C ATOM 586 O GLY A 66 30.460 -2.944 -4.080 1.00 16.92 O ATOM 587 H GLY A 66 30.280 -2.856 0.264 1.00 0.00 H ATOM 588 N VAL A 67 28.794 -2.489 -2.652 1.00 15.59 N ATOM 589 CA VAL A 67 27.896 -2.159 -3.744 1.00 13.96 C ATOM 590 C VAL A 67 28.323 -0.846 -4.367 1.00 15.37 C ATOM 591 O VAL A 67 28.421 -0.744 -5.599 1.00 18.54 O ATOM 592 CB VAL A 67 26.419 -2.127 -3.275 1.00 17.20 C ATOM 593 CG1 VAL A 67 25.498 -1.507 -4.359 1.00 18.32 C ATOM 594 CG2 VAL A 67 25.996 -3.543 -2.946 1.00 15.28 C ATOM 595 H VAL A 67 28.461 -2.457 -1.667 1.00 0.00 H ATOM 596 N LEU A 68 28.645 0.134 -3.531 1.00 18.38 N ATOM 597 CA LEU A 68 29.140 1.419 -4.027 1.00 21.88 C ATOM 598 C LEU A 68 30.431 1.249 -4.845 1.00 18.20 C ATOM 599 O LEU A 68 30.573 1.850 -5.900 1.00 21.85 O ATOM 600 CB LEU A 68 29.361 2.385 -2.855 1.00 19.01 C ATOM 601 CG LEU A 68 29.914 3.770 -3.226 1.00 19.44 C ATOM 602 CD1 LEU A 68 28.936 4.535 -4.100 1.00 22.93 C ATOM 603 CD2 LEU A 68 30.216 4.534 -1.956 1.00 25.15 C ATOM 604 H LEU A 68 28.544 -0.014 -2.507 1.00 0.00 H ATOM 605 N SER A 69 31.352 0.424 -4.353 1.00 18.63 N ATOM 606 CA SER A 69 32.654 0.233 -4.999 1.00 20.38 C ATOM 607 C SER A 69 32.584 -0.646 -6.230 1.00 18.24 C ATOM 608 O SER A 69 33.194 -0.351 -7.257 1.00 21.82 O ATOM 609 CB SER A 69 33.658 -0.401 -4.026 1.00 21.25 C ATOM 610 OG SER A 69 33.873 0.383 -2.866 1.00 23.17 O ATOM 611 HG SER A 69 33.016 0.498 -2.383 1.00 0.00 H ATOM 612 H SER A 69 31.141 -0.103 -3.481 1.00 0.00 H ATOM 613 N ASN A 70 31.832 -1.733 -6.128 1.00 19.14 N ATOM 614 CA ASN A 70 31.996 -2.854 -7.063 1.00 15.58 C ATOM 615 C ASN A 70 30.819 -3.138 -8.000 1.00 16.40 C ATOM 616 O ASN A 70 30.934 -3.999 -8.871 1.00 18.77 O ATOM 617 CB ASN A 70 32.329 -4.122 -6.257 1.00 15.83 C ATOM 618 CG ASN A 70 33.636 -4.000 -5.507 1.00 22.10 C ATOM 619 OD1 ASN A 70 34.612 -3.510 -6.056 1.00 23.65 O ATOM 620 ND2 ASN A 70 33.667 -4.447 -4.248 1.00 21.14 N ATOM 621 HD22 ASN A 70 32.812 -4.857 -3.821 1.00 0.00 H ATOM 622 HD21 ASN A 70 34.546 -4.385 -3.696 1.00 0.00 H ATOM 623 H ASN A 70 31.116 -1.793 -5.376 1.00 0.00 H ATOM 624 N PHE A 71 29.732 -2.369 -7.886 1.00 16.56 N ATOM 625 CA PHE A 71 28.552 -2.631 -8.703 1.00 15.73 C ATOM 626 C PHE A 71 27.965 -1.374 -9.312 1.00 18.92 C ATOM 627 O PHE A 71 28.199 -0.269 -8.838 1.00 18.67 O ATOM 628 CB PHE A 71 27.469 -3.305 -7.879 1.00 13.45 C ATOM 629 CG PHE A 71 27.806 -4.703 -7.450 1.00 14.92 C ATOM 630 CD1 PHE A 71 28.657 -4.929 -6.390 1.00 17.03 C ATOM 631 CD2 PHE A 71 27.260 -5.796 -8.112 1.00 13.93 C ATOM 632 CE1 PHE A 71 28.968 -6.196 -5.986 1.00 17.58 C ATOM 633 CE2 PHE A 71 27.568 -7.083 -7.717 1.00 19.85 C ATOM 634 CZ PHE A 71 28.432 -7.284 -6.642 1.00 16.99 C ATOM 635 H PHE A 71 29.727 -1.578 -7.210 1.00 0.00 H ATOM 636 N SER A 72 27.202 -1.570 -10.376 1.00 19.43 N ATOM 637 CA SER A 72 26.315 -0.527 -10.885 1.00 18.98 C ATOM 638 C SER A 72 24.983 -1.207 -11.117 1.00 19.24 C ATOM 639 O SER A 72 24.868 -2.418 -10.907 1.00 23.03 O ATOM 640 CB SER A 72 26.863 0.081 -12.170 1.00 27.02 C ATOM 641 OG SER A 72 26.839 -0.902 -13.196 1.00 29.68 O ATOM 642 HG SER A 72 27.399 -1.673 -12.926 1.00 0.00 H ATOM 643 H SER A 72 27.235 -2.489 -10.861 1.00 0.00 H ATOM 644 N GLY A 73 23.975 -0.470 -11.556 1.00 23.51 N ATOM 645 CA GLY A 73 22.741 -1.117 -11.964 1.00 21.57 C ATOM 646 C GLY A 73 21.514 -0.244 -11.878 1.00 24.13 C ATOM 647 O GLY A 73 21.566 0.973 -12.094 1.00 18.20 O ATOM 648 H GLY A 73 24.066 0.565 -11.608 1.00 0.00 H ATOM 649 N THR A 74 20.410 -0.900 -11.536 1.00 17.24 N ATOM 650 CA THR A 74 19.097 -0.290 -11.534 1.00 11.69 C ATOM 651 C THR A 74 18.292 -0.706 -10.309 1.00 16.74 C ATOM 652 O THR A 74 18.657 -1.645 -9.570 1.00 15.45 O ATOM 653 CB THR A 74 18.306 -0.666 -12.807 1.00 19.44 C ATOM 654 OG1 THR A 74 18.235 -2.093 -12.916 1.00 18.44 O ATOM 655 CG2 THR A 74 18.985 -0.091 -14.050 1.00 23.00 C ATOM 656 HG1 THR A 74 17.777 -2.461 -12.119 1.00 0.00 H ATOM 657 H THR A 74 20.493 -1.898 -11.257 1.00 0.00 H ATOM 658 N VAL A 75 17.195 0.015 -10.108 1.00 16.41 N ATOM 659 CA VAL A 75 16.211 -0.343 -9.114 1.00 13.22 C ATOM 660 C VAL A 75 14.863 -0.440 -9.804 1.00 17.65 C ATOM 661 O VAL A 75 14.456 0.462 -10.551 1.00 16.28 O ATOM 662 CB VAL A 75 16.161 0.656 -7.932 1.00 14.58 C ATOM 663 CG1 VAL A 75 15.888 2.081 -8.409 1.00 14.57 C ATOM 664 CG2 VAL A 75 15.150 0.198 -6.903 1.00 14.35 C ATOM 665 H VAL A 75 17.040 0.866 -10.686 1.00 0.00 H ATOM 666 N LYS A 76 14.203 -1.574 -9.585 1.00 14.70 N ATOM 667 CA LYS A 76 12.856 -1.791 -10.069 1.00 12.12 C ATOM 668 C LYS A 76 11.852 -1.427 -8.978 1.00 12.79 C ATOM 669 O LYS A 76 11.922 -1.950 -7.845 1.00 16.40 O ATOM 670 CB LYS A 76 12.655 -3.250 -10.477 1.00 15.83 C ATOM 671 CG LYS A 76 11.375 -3.507 -11.222 1.00 18.27 C ATOM 672 CD LYS A 76 11.358 -4.937 -11.738 1.00 25.01 C ATOM 673 CE LYS A 76 10.073 -5.276 -12.459 1.00 40.01 C ATOM 674 NZ LYS A 76 10.059 -6.717 -12.851 1.00 35.22 N ATOM 675 HZ1 LYS A 76 10.863 -6.911 -13.482 1.00 0.00 H ATOM 676 HZ2 LYS A 76 10.135 -7.308 -11.998 1.00 0.00 H ATOM 677 HZ3 LYS A 76 9.169 -6.932 -13.345 1.00 0.00 H ATOM 678 H LYS A 76 14.671 -2.331 -9.047 1.00 0.00 H ATOM 679 N TYR A 77 10.959 -0.498 -9.290 1.00 13.93 N ATOM 680 CA TYR A 77 9.900 -0.095 -8.360 1.00 13.86 C ATOM 681 C TYR A 77 8.542 -0.243 -9.017 1.00 17.39 C ATOM 682 O TYR A 77 8.249 0.435 -10.015 1.00 17.50 O ATOM 683 CB TYR A 77 10.099 1.340 -7.915 1.00 17.07 C ATOM 684 CG TYR A 77 9.180 1.767 -6.788 1.00 16.17 C ATOM 685 CD1 TYR A 77 9.147 1.055 -5.597 1.00 23.77 C ATOM 686 CD2 TYR A 77 8.315 2.855 -6.919 1.00 15.46 C ATOM 687 CE1 TYR A 77 8.304 1.454 -4.538 1.00 18.51 C ATOM 688 CE2 TYR A 77 7.493 3.258 -5.869 1.00 16.28 C ATOM 689 CZ TYR A 77 7.502 2.548 -4.684 1.00 20.02 C ATOM 690 OH TYR A 77 6.690 2.934 -3.652 1.00 18.61 O ATOM 691 HH TYR A 77 6.919 3.858 -3.381 1.00 0.00 H ATOM 692 H TYR A 77 11.011 -0.041 -10.223 1.00 0.00 H ATOM 693 N SER A 78 7.741 -1.159 -8.480 1.00 14.49 N ATOM 694 CA SER A 78 6.387 -1.399 -8.982 1.00 15.35 C ATOM 695 C SER A 78 6.401 -1.566 -10.506 1.00 19.94 C ATOM 696 O SER A 78 5.625 -0.930 -11.203 1.00 22.12 O ATOM 697 CB SER A 78 5.463 -0.249 -8.581 1.00 23.32 C ATOM 698 OG SER A 78 4.097 -0.596 -8.742 1.00 24.00 O ATOM 699 HG SER A 78 3.887 -1.379 -8.173 1.00 0.00 H ATOM 700 H SER A 78 8.088 -1.723 -7.678 1.00 0.00 H ATOM 701 N GLY A 79 7.313 -2.382 -11.012 1.00 19.57 N ATOM 702 CA GLY A 79 7.253 -2.755 -12.427 1.00 24.31 C ATOM 703 C GLY A 79 8.068 -1.929 -13.407 1.00 25.48 C ATOM 704 O GLY A 79 8.225 -2.339 -14.563 1.00 23.20 O ATOM 705 H GLY A 79 8.070 -2.757 -10.406 1.00 0.00 H ATOM 706 N SER A 80 8.558 -0.771 -12.986 1.00 17.26 N ATOM 707 CA SER A 80 9.457 0.045 -13.821 1.00 15.14 C ATOM 708 C SER A 80 10.813 0.180 -13.164 1.00 20.91 C ATOM 709 O SER A 80 10.905 0.235 -11.945 1.00 15.76 O ATOM 710 CB SER A 80 8.876 1.438 -14.071 1.00 19.89 C ATOM 711 OG SER A 80 7.688 1.361 -14.821 1.00 22.48 O ATOM 712 HG SER A 80 7.021 0.822 -14.326 1.00 0.00 H ATOM 713 H SER A 80 8.300 -0.429 -12.038 1.00 0.00 H ATOM 714 N SER A 81 11.855 0.247 -13.987 1.00 17.50 N ATOM 715 CA SER A 81 13.201 0.367 -13.493 1.00 13.13 C ATOM 716 C SER A 81 13.808 1.744 -13.727 1.00 18.11 C ATOM 717 O SER A 81 13.457 2.452 -14.676 1.00 15.61 O ATOM 718 CB SER A 81 14.062 -0.715 -14.135 1.00 18.26 C ATOM 719 OG SER A 81 13.572 -1.990 -13.724 1.00 17.97 O ATOM 720 HG SER A 81 14.123 -2.702 -14.135 1.00 0.00 H ATOM 721 H SER A 81 11.693 0.212 -15.014 1.00 0.00 H ATOM 722 N TYR A 82 14.728 2.091 -12.839 1.00 16.44 N ATOM 723 CA TYR A 82 15.383 3.385 -12.788 1.00 15.77 C ATOM 724 C TYR A 82 16.843 3.162 -12.443 1.00 14.77 C ATOM 725 O TYR A 82 17.201 2.133 -11.886 1.00 14.56 O ATOM 726 CB TYR A 82 14.732 4.279 -11.718 1.00 16.20 C ATOM 727 CG TYR A 82 13.237 4.385 -11.850 1.00 16.62 C ATOM 728 CD1 TYR A 82 12.652 5.431 -12.564 1.00 19.40 C ATOM 729 CD2 TYR A 82 12.411 3.433 -11.291 1.00 14.84 C ATOM 730 CE1 TYR A 82 11.282 5.519 -12.711 1.00 22.38 C ATOM 731 CE2 TYR A 82 11.037 3.503 -11.428 1.00 16.58 C ATOM 732 CZ TYR A 82 10.474 4.565 -12.131 1.00 19.98 C ATOM 733 OH TYR A 82 9.100 4.656 -12.287 1.00 21.23 O ATOM 734 HH TYR A 82 8.881 5.468 -12.809 1.00 0.00 H ATOM 735 H TYR A 82 15.001 1.384 -12.126 1.00 0.00 H ATOM 736 N PRO A 83 17.703 4.130 -12.749 1.00 14.40 N ATOM 737 CA PRO A 83 19.100 4.014 -12.326 1.00 18.45 C ATOM 738 C PRO A 83 19.236 3.862 -10.809 1.00 17.40 C ATOM 739 O PRO A 83 18.463 4.468 -10.049 1.00 15.45 O ATOM 740 CB PRO A 83 19.722 5.340 -12.764 1.00 24.76 C ATOM 741 CG PRO A 83 18.814 5.901 -13.761 1.00 29.97 C ATOM 742 CD PRO A 83 17.448 5.356 -13.528 1.00 18.78 C ATOM 743 N PHE A 84 20.220 3.079 -10.396 1.00 17.14 N ATOM 744 CA PHE A 84 20.591 2.949 -8.986 1.00 18.52 C ATOM 745 C PHE A 84 22.100 3.057 -8.871 1.00 20.10 C ATOM 746 O PHE A 84 22.820 2.340 -9.562 1.00 17.42 O ATOM 747 CB PHE A 84 20.136 1.618 -8.391 1.00 14.74 C ATOM 748 CG PHE A 84 20.512 1.474 -6.948 1.00 16.46 C ATOM 749 CD1 PHE A 84 19.686 1.978 -5.962 1.00 15.74 C ATOM 750 CD2 PHE A 84 21.717 0.892 -6.584 1.00 17.87 C ATOM 751 CE1 PHE A 84 20.035 1.886 -4.630 1.00 15.97 C ATOM 752 CE2 PHE A 84 22.069 0.793 -5.254 1.00 18.41 C ATOM 753 CZ PHE A 84 21.214 1.303 -4.274 1.00 18.81 C ATOM 754 H PHE A 84 20.752 2.533 -11.103 1.00 0.00 H ATOM 755 N PRO A 85 22.608 3.941 -8.003 1.00 18.78 N ATOM 756 CA PRO A 85 21.944 4.892 -7.105 1.00 16.94 C ATOM 757 C PRO A 85 21.002 5.818 -7.869 1.00 14.75 C ATOM 758 O PRO A 85 21.193 6.118 -9.066 1.00 16.09 O ATOM 759 CB PRO A 85 23.110 5.675 -6.486 1.00 22.45 C ATOM 760 CG PRO A 85 24.283 4.792 -6.632 1.00 24.99 C ATOM 761 CD PRO A 85 24.072 3.985 -7.871 1.00 18.77 C ATOM 762 N THR A 86 19.956 6.235 -7.181 1.00 16.35 N ATOM 763 CA THR A 86 18.851 6.896 -7.835 1.00 16.56 C ATOM 764 C THR A 86 19.195 8.338 -8.184 1.00 14.81 C ATOM 765 O THR A 86 20.058 8.960 -7.551 1.00 16.00 O ATOM 766 CB THR A 86 17.606 6.891 -6.957 1.00 15.05 C ATOM 767 OG1 THR A 86 17.898 7.561 -5.728 1.00 15.30 O ATOM 768 CG2 THR A 86 17.160 5.476 -6.693 1.00 18.03 C ATOM 769 HG1 THR A 86 18.168 8.494 -5.918 1.00 0.00 H ATOM 770 H THR A 86 19.927 6.085 -6.152 1.00 0.00 H ATOM 771 N THR A 87 18.476 8.857 -9.177 1.00 14.89 N ATOM 772 CA THR A 87 18.697 10.216 -9.654 1.00 16.56 C ATOM 773 C THR A 87 17.431 11.054 -9.624 1.00 19.11 C ATOM 774 O THR A 87 17.443 12.224 -10.018 1.00 20.43 O ATOM 775 CB THR A 87 19.268 10.191 -11.069 1.00 21.08 C ATOM 776 OG1 THR A 87 18.416 9.415 -11.935 1.00 19.09 O ATOM 777 CG2 THR A 87 20.641 9.577 -11.037 1.00 21.87 C ATOM 778 HG1 THR A 87 18.797 9.406 -12.849 1.00 0.00 H ATOM 779 H THR A 87 17.737 8.277 -9.624 1.00 0.00 H ATOM 780 N SER A 88 16.326 10.459 -9.189 1.00 15.48 N ATOM 781 CA SER A 88 15.086 11.198 -8.984 1.00 16.38 C ATOM 782 C SER A 88 14.231 10.416 -8.018 1.00 21.36 C ATOM 783 O SER A 88 14.654 9.387 -7.515 1.00 22.51 O ATOM 784 CB SER A 88 14.336 11.392 -10.304 1.00 24.12 C ATOM 785 OG SER A 88 14.006 10.122 -10.833 1.00 26.45 O ATOM 786 HG SER A 88 14.836 9.606 -10.991 1.00 0.00 H ATOM 787 H SER A 88 16.346 9.439 -8.989 1.00 0.00 H ATOM 788 N GLU A 89 13.032 10.911 -7.764 1.00 17.76 N ATOM 789 CA GLU A 89 12.043 10.192 -6.945 1.00 16.55 C ATOM 790 C GLU A 89 11.084 9.475 -7.878 1.00 18.50 C ATOM 791 O GLU A 89 10.692 10.013 -8.908 1.00 19.18 O ATOM 792 CB GLU A 89 11.289 11.164 -6.032 1.00 15.17 C ATOM 793 CG GLU A 89 10.108 10.575 -5.270 1.00 16.33 C ATOM 794 CD GLU A 89 9.593 11.538 -4.211 1.00 24.77 C ATOM 795 OE1 GLU A 89 10.039 12.707 -4.216 1.00 29.95 O ATOM 796 OE2 GLU A 89 8.760 11.121 -3.377 1.00 21.91 O ATOM 797 H GLU A 89 12.779 11.840 -8.156 1.00 0.00 H ATOM 798 N THR A 90 10.690 8.264 -7.516 1.00 15.49 N ATOM 799 CA THR A 90 9.790 7.499 -8.359 1.00 18.37 C ATOM 800 C THR A 90 8.362 8.020 -8.301 1.00 16.35 C ATOM 801 O THR A 90 8.002 8.794 -7.408 1.00 15.69 O ATOM 802 CB THR A 90 9.747 6.026 -7.929 1.00 17.43 C ATOM 803 OG1 THR A 90 9.164 5.953 -6.619 1.00 16.10 O ATOM 804 CG2 THR A 90 11.139 5.404 -7.879 1.00 17.97 C ATOM 805 HG1 THR A 90 8.247 6.325 -6.646 1.00 0.00 H ATOM 806 H THR A 90 11.028 7.858 -6.620 1.00 0.00 H ATOM 807 N PRO A 91 7.522 7.550 -9.231 1.00 18.16 N ATOM 808 CA PRO A 91 6.074 7.692 -9.077 1.00 18.91 C ATOM 809 C PRO A 91 5.560 7.032 -7.810 1.00 20.21 C ATOM 810 O PRO A 91 6.255 6.206 -7.202 1.00 16.95 O ATOM 811 CB PRO A 91 5.503 6.966 -10.295 1.00 20.98 C ATOM 812 CG PRO A 91 6.621 7.023 -11.318 1.00 22.70 C ATOM 813 CD PRO A 91 7.871 6.859 -10.489 1.00 20.90 C ATOM 814 N ARG A 92 4.334 7.391 -7.452 1.00 18.70 N ATOM 815 CA ARG A 92 3.688 6.901 -6.239 1.00 17.85 C ATOM 816 C ARG A 92 3.008 5.566 -6.475 1.00 22.22 C ATOM 817 O ARG A 92 2.439 5.320 -7.542 1.00 24.75 O ATOM 818 CB ARG A 92 2.659 7.928 -5.749 1.00 21.73 C ATOM 819 CG ARG A 92 3.267 9.227 -5.250 1.00 27.77 C ATOM 820 CD ARG A 92 2.217 10.332 -5.088 1.00 35.00 C ATOM 821 NE ARG A 92 1.734 10.822 -6.372 1.00 39.17 N ATOM 822 CZ ARG A 92 0.764 11.723 -6.517 1.00 58.39 C ATOM 823 NH1 ARG A 92 0.156 12.228 -5.448 1.00 31.64 N ATOM 824 NH2 ARG A 92 0.398 12.114 -7.736 1.00 50.11 N ATOM 825 HE ARG A 92 2.176 10.443 -7.233 1.00 0.00 H ATOM 826 HH12 ARG A 92 -0.601 12.931 -5.564 1.00 0.00 H ATOM 827 HH11 ARG A 92 0.438 11.920 -4.496 1.00 0.00 H ATOM 828 HH22 ARG A 92 -0.359 12.817 -7.851 1.00 0.00 H ATOM 829 HH21 ARG A 92 0.869 11.716 -8.573 1.00 0.00 H ATOM 830 H ARG A 92 3.811 8.050 -8.063 1.00 0.00 H ATOM 831 N VAL A 93 3.105 4.696 -5.481 1.00 17.62 N ATOM 832 CA VAL A 93 2.305 3.483 -5.388 1.00 18.38 C ATOM 833 C VAL A 93 1.234 3.717 -4.344 1.00 21.07 C ATOM 834 O VAL A 93 1.525 4.266 -3.288 1.00 17.64 O ATOM 835 CB VAL A 93 3.167 2.263 -4.985 1.00 20.57 C ATOM 836 CG1 VAL A 93 2.293 1.042 -4.722 1.00 25.22 C ATOM 837 CG2 VAL A 93 4.198 1.979 -6.080 1.00 27.46 C ATOM 838 H VAL A 93 3.791 4.890 -4.724 1.00 0.00 H ATOM 839 N VAL A 94 0.016 3.270 -4.624 1.00 18.73 N ATOM 840 CA VAL A 94 -1.103 3.411 -3.678 1.00 16.68 C ATOM 841 C VAL A 94 -1.125 2.289 -2.675 1.00 19.10 C ATOM 842 O VAL A 94 -0.987 1.111 -3.030 1.00 19.07 O ATOM 843 CB VAL A 94 -2.473 3.443 -4.426 1.00 19.84 C ATOM 844 CG1 VAL A 94 -3.670 3.264 -3.471 1.00 20.61 C ATOM 845 CG2 VAL A 94 -2.582 4.716 -5.233 1.00 23.25 C ATOM 846 H VAL A 94 -0.153 2.806 -5.539 1.00 0.00 H ATOM 847 N TYR A 95 -1.310 2.657 -1.405 1.00 16.66 N ATOM 848 CA TYR A 95 -1.631 1.690 -0.352 1.00 15.01 C ATOM 849 C TYR A 95 -3.039 1.982 0.113 1.00 16.72 C ATOM 850 O TYR A 95 -3.336 3.103 0.539 1.00 16.12 O ATOM 851 CB TYR A 95 -0.623 1.747 0.811 1.00 14.81 C ATOM 852 CG TYR A 95 0.658 1.025 0.449 1.00 13.79 C ATOM 853 CD1 TYR A 95 1.492 1.544 -0.523 1.00 18.53 C ATOM 854 CD2 TYR A 95 1.020 -0.208 1.043 1.00 16.07 C ATOM 855 CE1 TYR A 95 2.654 0.889 -0.899 1.00 18.56 C ATOM 856 CE2 TYR A 95 2.194 -0.866 0.663 1.00 16.80 C ATOM 857 CZ TYR A 95 2.995 -0.305 -0.322 1.00 16.80 C ATOM 858 OH TYR A 95 4.164 -0.920 -0.775 1.00 19.15 O ATOM 859 HH TYR A 95 3.943 -1.808 -1.153 1.00 0.00 H ATOM 860 H TYR A 95 -1.223 3.663 -1.155 1.00 0.00 H ATOM 861 N ASN A 96 -3.908 0.977 0.012 1.00 18.29 N ATOM 862 CA ASN A 96 -5.342 1.173 0.263 1.00 17.09 C ATOM 863 C ASN A 96 -5.990 0.047 1.055 1.00 23.52 C ATOM 864 O ASN A 96 -7.194 -0.182 0.949 1.00 22.39 O ATOM 865 CB ASN A 96 -6.089 1.357 -1.064 1.00 21.28 C ATOM 866 CG ASN A 96 -5.931 0.183 -2.007 1.00 23.05 C ATOM 867 OD1 ASN A 96 -5.365 -0.848 -1.670 1.00 27.03 O ATOM 868 ND2 ASN A 96 -6.460 0.340 -3.203 1.00 28.15 N ATOM 869 HD22 ASN A 96 -6.933 1.233 -3.449 1.00 0.00 H ATOM 870 HD21 ASN A 96 -6.405 -0.429 -3.901 1.00 0.00 H ATOM 871 H ASN A 96 -3.563 0.032 -0.251 1.00 0.00 H ATOM 872 N SER A 97 -5.198 -0.645 1.871 1.00 19.39 N ATOM 873 CA SER A 97 -5.709 -1.737 2.680 1.00 19.72 C ATOM 874 C SER A 97 -5.002 -1.788 4.009 1.00 19.08 C ATOM 875 O SER A 97 -3.835 -1.382 4.102 1.00 19.26 O ATOM 876 CB SER A 97 -5.537 -3.069 1.935 1.00 21.01 C ATOM 877 OG SER A 97 -5.828 -4.164 2.787 1.00 23.28 O ATOM 878 HG SER A 97 -6.763 -4.094 3.105 1.00 0.00 H ATOM 879 H SER A 97 -4.190 -0.398 1.930 1.00 0.00 H ATOM 880 N ARG A 98 -5.684 -2.314 5.037 1.00 19.94 N ATOM 881 CA ARG A 98 -5.071 -2.520 6.347 1.00 21.16 C ATOM 882 C ARG A 98 -4.153 -3.744 6.348 1.00 17.77 C ATOM 883 O ARG A 98 -3.351 -3.927 7.254 1.00 18.75 O ATOM 884 CB ARG A 98 -6.136 -2.709 7.442 1.00 25.24 C ATOM 885 CG ARG A 98 -6.741 -1.460 7.965 1.00 39.99 C ATOM 886 CD ARG A 98 -7.464 -1.690 9.318 1.00 34.24 C ATOM 887 NE ARG A 98 -8.063 -0.435 9.770 1.00 37.55 N ATOM 888 CZ ARG A 98 -9.193 0.057 9.279 1.00 41.68 C ATOM 889 NH1 ARG A 98 -9.857 -0.611 8.335 1.00 42.83 N ATOM 890 NH2 ARG A 98 -9.658 1.216 9.727 1.00 38.76 N ATOM 891 HE ARG A 98 -7.577 0.101 10.517 1.00 0.00 H ATOM 892 HH12 ARG A 98 -10.743 -0.225 7.950 1.00 0.00 H ATOM 893 HH11 ARG A 98 -9.489 -1.518 7.983 1.00 0.00 H ATOM 894 HH22 ARG A 98 -10.544 1.604 9.344 1.00 0.00 H ATOM 895 HH21 ARG A 98 -9.137 1.736 10.461 1.00 0.00 H ATOM 896 H ARG A 98 -6.679 -2.583 4.897 1.00 0.00 H ATOM 897 N THR A 99 -4.306 -4.584 5.327 1.00 19.77 N ATOM 898 CA THR A 99 -3.521 -5.805 5.193 1.00 24.14 C ATOM 899 C THR A 99 -2.105 -5.448 4.779 1.00 17.95 C ATOM 900 O THR A 99 -1.906 -4.578 3.937 1.00 19.55 O ATOM 901 CB THR A 99 -4.170 -6.768 4.155 1.00 23.11 C ATOM 902 OG1 THR A 99 -5.468 -7.143 4.623 1.00 28.73 O ATOM 903 CG2 THR A 99 -3.334 -8.014 3.963 1.00 30.02 C ATOM 904 HG1 THR A 99 -6.027 -6.333 4.725 1.00 0.00 H ATOM 905 H THR A 99 -5.012 -4.361 4.597 1.00 0.00 H ATOM 906 N ASP A 100 -1.121 -6.105 5.383 1.00 17.50 N ATOM 907 CA ASP A 100 0.275 -5.945 4.953 1.00 21.46 C ATOM 908 C ASP A 100 0.415 -6.108 3.448 1.00 20.66 C ATOM 909 O ASP A 100 -0.127 -7.053 2.870 1.00 19.91 O ATOM 910 CB ASP A 100 1.173 -6.980 5.619 1.00 17.69 C ATOM 911 CG ASP A 100 1.290 -6.792 7.122 1.00 24.31 C ATOM 912 OD1 ASP A 100 1.240 -5.642 7.606 1.00 18.63 O ATOM 913 OD2 ASP A 100 1.471 -7.815 7.818 1.00 21.94 O ATOM 914 H ASP A 100 -1.342 -6.743 6.174 1.00 0.00 H ATOM 915 N LYS A 101 1.161 -5.207 2.818 1.00 19.08 N ATOM 916 CA LYS A 101 1.455 -5.324 1.398 1.00 12.86 C ATOM 917 C LYS A 101 2.943 -5.064 1.174 1.00 15.60 C ATOM 918 O LYS A 101 3.522 -4.146 1.756 1.00 16.27 O ATOM 919 CB LYS A 101 0.590 -4.340 0.606 1.00 18.89 C ATOM 920 CG LYS A 101 1.037 -4.049 -0.808 1.00 27.66 C ATOM 921 CD LYS A 101 0.035 -3.098 -1.465 1.00 28.29 C ATOM 922 CE LYS A 101 0.561 -2.444 -2.703 1.00 30.83 C ATOM 923 NZ LYS A 101 -0.523 -1.578 -3.206 1.00 32.57 N ATOM 924 HZ1 LYS A 101 -1.360 -2.159 -3.417 1.00 0.00 H ATOM 925 HZ2 LYS A 101 -0.764 -0.871 -2.483 1.00 0.00 H ATOM 926 HZ3 LYS A 101 -0.207 -1.097 -4.072 1.00 0.00 H ATOM 927 H LYS A 101 1.543 -4.400 3.352 1.00 0.00 H ATOM 928 N PRO A 102 3.583 -5.888 0.345 1.00 15.62 N ATOM 929 CA PRO A 102 5.020 -5.652 0.150 1.00 13.93 C ATOM 930 C PRO A 102 5.327 -4.282 -0.428 1.00 15.23 C ATOM 931 O PRO A 102 4.489 -3.699 -1.152 1.00 16.94 O ATOM 932 CB PRO A 102 5.425 -6.741 -0.837 1.00 15.34 C ATOM 933 CG PRO A 102 4.399 -7.846 -0.652 1.00 21.87 C ATOM 934 CD PRO A 102 3.109 -7.101 -0.351 1.00 21.44 C ATOM 935 N TRP A 103 6.514 -3.775 -0.115 1.00 15.56 N ATOM 936 CA TRP A 103 7.058 -2.587 -0.779 1.00 12.86 C ATOM 937 C TRP A 103 7.791 -3.100 -2.023 1.00 11.71 C ATOM 938 O TRP A 103 8.766 -3.828 -1.879 1.00 13.31 O ATOM 939 CB TRP A 103 8.012 -1.834 0.143 1.00 11.81 C ATOM 940 CG TRP A 103 8.352 -0.473 -0.325 1.00 10.98 C ATOM 941 CD1 TRP A 103 7.532 0.406 -0.971 1.00 16.16 C ATOM 942 CD2 TRP A 103 9.626 0.178 -0.205 1.00 12.48 C ATOM 943 NE1 TRP A 103 8.219 1.565 -1.266 1.00 14.39 N ATOM 944 CE2 TRP A 103 9.503 1.451 -0.797 1.00 12.79 C ATOM 945 CE3 TRP A 103 10.853 -0.192 0.346 1.00 16.84 C ATOM 946 CZ2 TRP A 103 10.555 2.361 -0.833 1.00 14.21 C ATOM 947 CZ3 TRP A 103 11.901 0.711 0.301 1.00 16.23 C ATOM 948 CH2 TRP A 103 11.739 1.979 -0.282 1.00 16.36 C ATOM 949 HE1 TRP A 103 7.827 2.391 -1.763 1.00 0.00 H ATOM 950 H TRP A 103 7.077 -4.237 0.627 1.00 0.00 H ATOM 951 N PRO A 104 7.287 -2.789 -3.239 1.00 14.31 N ATOM 952 CA PRO A 104 7.746 -3.502 -4.440 1.00 15.48 C ATOM 953 C PRO A 104 9.049 -2.942 -5.011 1.00 19.29 C ATOM 954 O PRO A 104 9.058 -2.377 -6.109 1.00 17.54 O ATOM 955 CB PRO A 104 6.571 -3.320 -5.410 1.00 15.46 C ATOM 956 CG PRO A 104 6.008 -1.996 -5.064 1.00 17.97 C ATOM 957 CD PRO A 104 6.185 -1.859 -3.550 1.00 17.40 C ATOM 958 N VAL A 105 10.132 -3.108 -4.255 1.00 14.17 N ATOM 959 CA VAL A 105 11.453 -2.590 -4.598 1.00 13.87 C ATOM 960 C VAL A 105 12.438 -3.736 -4.755 1.00 15.07 C ATOM 961 O VAL A 105 12.530 -4.595 -3.883 1.00 15.73 O ATOM 962 CB VAL A 105 12.006 -1.662 -3.513 1.00 14.22 C ATOM 963 CG1 VAL A 105 13.479 -1.244 -3.812 1.00 18.41 C ATOM 964 CG2 VAL A 105 11.108 -0.477 -3.346 1.00 18.13 C ATOM 965 H VAL A 105 10.031 -3.639 -3.366 1.00 0.00 H ATOM 966 N ALA A 106 13.195 -3.740 -5.849 1.00 18.38 N ATOM 967 CA ALA A 106 14.288 -4.700 -5.987 1.00 16.40 C ATOM 968 C ALA A 106 15.471 -4.092 -6.703 1.00 16.14 C ATOM 969 O ALA A 106 15.304 -3.406 -7.711 1.00 15.47 O ATOM 970 CB ALA A 106 13.816 -5.925 -6.714 1.00 16.94 C ATOM 971 H ALA A 106 13.008 -3.056 -6.610 1.00 0.00 H ATOM 972 N LEU A 107 16.667 -4.367 -6.202 1.00 13.42 N ATOM 973 CA LEU A 107 17.889 -3.864 -6.828 1.00 15.76 C ATOM 974 C LEU A 107 18.415 -4.905 -7.806 1.00 13.83 C ATOM 975 O LEU A 107 18.445 -6.106 -7.494 1.00 16.39 O ATOM 976 CB LEU A 107 18.969 -3.538 -5.791 1.00 15.95 C ATOM 977 CG LEU A 107 18.493 -2.689 -4.616 1.00 15.65 C ATOM 978 CD1 LEU A 107 19.623 -2.543 -3.599 1.00 14.10 C ATOM 979 CD2 LEU A 107 17.976 -1.356 -5.049 1.00 18.39 C ATOM 980 H LEU A 107 16.738 -4.953 -5.346 1.00 0.00 H ATOM 981 N TYR A 108 18.855 -4.425 -8.966 1.00 16.85 N ATOM 982 CA TYR A 108 19.509 -5.255 -9.976 1.00 20.67 C ATOM 983 C TYR A 108 20.916 -4.718 -10.149 1.00 20.11 C ATOM 984 O TYR A 108 21.124 -3.705 -10.807 1.00 17.37 O ATOM 985 CB TYR A 108 18.743 -5.237 -11.305 1.00 14.57 C ATOM 986 CG TYR A 108 17.476 -6.021 -11.246 1.00 14.86 C ATOM 987 CD1 TYR A 108 16.370 -5.533 -10.555 1.00 19.13 C ATOM 988 CD2 TYR A 108 17.366 -7.242 -11.877 1.00 21.35 C ATOM 989 CE1 TYR A 108 15.205 -6.250 -10.486 1.00 21.36 C ATOM 990 CE2 TYR A 108 16.190 -7.969 -11.811 1.00 23.69 C ATOM 991 CZ TYR A 108 15.124 -7.470 -11.103 1.00 25.35 C ATOM 992 OH TYR A 108 13.950 -8.177 -11.034 1.00 30.71 O ATOM 993 HH TYR A 108 13.295 -7.674 -10.488 1.00 0.00 H ATOM 994 H TYR A 108 18.728 -3.412 -9.164 1.00 0.00 H ATOM 995 N LEU A 109 21.875 -5.395 -9.532 1.00 16.44 N ATOM 996 CA LEU A 109 23.229 -4.871 -9.396 1.00 13.28 C ATOM 997 C LEU A 109 24.181 -5.733 -10.192 1.00 16.53 C ATOM 998 O LEU A 109 24.195 -6.961 -10.021 1.00 17.23 O ATOM 999 CB LEU A 109 23.657 -4.849 -7.928 1.00 13.37 C ATOM 1000 CG LEU A 109 22.698 -4.153 -6.948 1.00 17.59 C ATOM 1001 CD1 LEU A 109 23.117 -4.405 -5.516 1.00 19.18 C ATOM 1002 CD2 LEU A 109 22.626 -2.656 -7.279 1.00 21.30 C ATOM 1003 H LEU A 109 21.654 -6.329 -9.132 1.00 0.00 H ATOM 1004 N THR A 110 24.960 -5.118 -11.075 1.00 13.20 N ATOM 1005 CA THR A 110 25.871 -5.893 -11.905 1.00 12.42 C ATOM 1006 C THR A 110 27.315 -5.469 -11.608 1.00 14.15 C ATOM 1007 O THR A 110 27.597 -4.278 -11.411 1.00 17.40 O ATOM 1008 CB THR A 110 25.488 -5.724 -13.399 1.00 18.42 C ATOM 1009 OG1 THR A 110 26.243 -6.647 -14.191 1.00 22.50 O ATOM 1010 CG2 THR A 110 25.690 -4.272 -13.831 1.00 17.62 C ATOM 1011 HG1 THR A 110 26.041 -7.572 -13.900 1.00 0.00 H ATOM 1012 H THR A 110 24.919 -4.083 -11.173 1.00 0.00 H ATOM 1013 N PRO A 111 28.244 -6.437 -11.545 1.00 17.67 N ATOM 1014 CA PRO A 111 29.617 -6.070 -11.159 1.00 18.32 C ATOM 1015 C PRO A 111 30.328 -5.161 -12.163 1.00 21.01 C ATOM 1016 O PRO A 111 30.159 -5.308 -13.361 1.00 22.87 O ATOM 1017 CB PRO A 111 30.335 -7.423 -11.085 1.00 21.31 C ATOM 1018 CG PRO A 111 29.265 -8.416 -10.842 1.00 20.71 C ATOM 1019 CD PRO A 111 28.058 -7.905 -11.570 1.00 18.16 C ATOM 1020 N VAL A 112 31.117 -4.232 -11.659 1.00 18.46 N ATOM 1021 CA VAL A 112 31.991 -3.436 -12.517 1.00 24.93 C ATOM 1022 C VAL A 112 33.191 -4.278 -12.943 1.00 23.16 C ATOM 1023 O VAL A 112 33.513 -5.291 -12.304 1.00 26.49 O ATOM 1024 CB VAL A 112 32.473 -2.154 -11.802 1.00 28.52 C ATOM 1025 CG1 VAL A 112 31.257 -1.330 -11.338 1.00 28.53 C ATOM 1026 CG2 VAL A 112 33.422 -2.488 -10.648 1.00 33.17 C ATOM 1027 H VAL A 112 31.117 -4.063 -10.633 1.00 0.00 H ATOM 1028 N SER A 113 33.859 -3.867 -14.017 1.00 30.65 N ATOM 1029 CA SER A 113 34.917 -4.685 -14.614 1.00 40.62 C ATOM 1030 C SER A 113 36.071 -5.003 -13.666 1.00 35.83 C ATOM 1031 O SER A 113 36.688 -6.056 -13.775 1.00 39.23 O ATOM 1032 CB SER A 113 35.465 -3.994 -15.866 1.00 39.72 C ATOM 1033 OG SER A 113 35.897 -2.675 -15.594 1.00 50.56 O ATOM 1034 HG SER A 113 35.135 -2.143 -15.254 1.00 0.00 H ATOM 1035 H SER A 113 33.625 -2.947 -14.441 1.00 0.00 H ATOM 1036 N SER A 114 36.360 -4.106 -12.732 1.00 35.13 N ATOM 1037 CA SER A 114 37.483 -4.312 -11.824 1.00 37.90 C ATOM 1038 C SER A 114 37.133 -5.173 -10.606 1.00 40.82 C ATOM 1039 O SER A 114 38.016 -5.516 -9.821 1.00 38.92 O ATOM 1040 CB SER A 114 38.025 -2.958 -11.355 1.00 37.92 C ATOM 1041 OG SER A 114 37.029 -2.231 -10.659 1.00 38.11 O ATOM 1042 HG SER A 114 37.401 -1.362 -10.366 1.00 0.00 H ATOM 1043 H SER A 114 35.780 -3.247 -12.646 1.00 0.00 H ATOM 1044 N ALA A 115 35.858 -5.513 -10.430 1.00 36.22 N ATOM 1045 CA ALA A 115 35.453 -6.340 -9.288 1.00 33.41 C ATOM 1046 C ALA A 115 36.007 -7.762 -9.440 1.00 30.97 C ATOM 1047 O ALA A 115 36.107 -8.289 -10.538 1.00 31.33 O ATOM 1048 CB ALA A 115 33.924 -6.369 -9.151 1.00 30.44 C ATOM 1049 H ALA A 115 35.141 -5.189 -11.110 1.00 0.00 H ATOM 1050 N GLY A 116 36.349 -8.392 -8.328 1.00 33.76 N ATOM 1051 CA GLY A 116 36.907 -9.737 -8.359 1.00 34.45 C ATOM 1052 C GLY A 116 37.119 -10.152 -6.918 1.00 28.76 C ATOM 1053 O GLY A 116 37.430 -9.309 -6.081 1.00 33.26 O ATOM 1054 H GLY A 116 36.217 -7.917 -7.412 1.00 0.00 H ATOM 1055 N GLY A 117 36.938 -11.431 -6.611 1.00 26.64 N ATOM 1056 CA GLY A 117 37.004 -11.879 -5.232 1.00 28.34 C ATOM 1057 C GLY A 117 35.788 -11.436 -4.434 1.00 21.22 C ATOM 1058 O GLY A 117 34.700 -11.261 -4.981 1.00 17.97 O ATOM 1059 H GLY A 117 36.747 -12.119 -7.367 1.00 0.00 H ATOM 1060 N VAL A 118 35.963 -11.243 -3.128 1.00 19.95 N ATOM 1061 CA VAL A 118 34.837 -10.857 -2.289 1.00 17.53 C ATOM 1062 C VAL A 118 34.490 -9.412 -2.595 1.00 27.70 C ATOM 1063 O VAL A 118 35.262 -8.512 -2.295 1.00 24.84 O ATOM 1064 CB VAL A 118 35.138 -11.024 -0.795 1.00 16.13 C ATOM 1065 CG1 VAL A 118 33.996 -10.449 0.055 1.00 21.51 C ATOM 1066 CG2 VAL A 118 35.392 -12.496 -0.480 1.00 24.72 C ATOM 1067 H VAL A 118 36.905 -11.368 -2.707 1.00 0.00 H ATOM 1068 N ALA A 119 33.314 -9.195 -3.172 1.00 18.29 N ATOM 1069 CA ALA A 119 32.921 -7.874 -3.644 1.00 16.23 C ATOM 1070 C ALA A 119 31.917 -7.214 -2.685 1.00 18.95 C ATOM 1071 O ALA A 119 31.736 -6.008 -2.707 1.00 17.84 O ATOM 1072 CB ALA A 119 32.338 -7.959 -5.048 1.00 17.27 C ATOM 1073 H ALA A 119 32.655 -9.991 -3.290 1.00 0.00 H ATOM 1074 N ILE A 120 31.261 -8.023 -1.862 1.00 18.03 N ATOM 1075 CA ILE A 120 30.388 -7.535 -0.797 1.00 16.54 C ATOM 1076 C ILE A 120 30.698 -8.370 0.422 1.00 18.59 C ATOM 1077 O ILE A 120 30.669 -9.601 0.345 1.00 17.46 O ATOM 1078 CB ILE A 120 28.886 -7.666 -1.129 1.00 13.51 C ATOM 1079 CG1 ILE A 120 28.529 -6.852 -2.376 1.00 18.43 C ATOM 1080 CG2 ILE A 120 28.042 -7.234 0.073 1.00 17.11 C ATOM 1081 CD1 ILE A 120 27.070 -7.077 -2.898 1.00 14.81 C ATOM 1082 H ILE A 120 31.374 -9.050 -1.981 1.00 0.00 H ATOM 1083 N LYS A 121 30.974 -7.717 1.552 1.00 19.65 N ATOM 1084 CA LYS A 121 31.328 -8.430 2.785 1.00 18.74 C ATOM 1085 C LYS A 121 30.112 -8.688 3.663 1.00 18.14 C ATOM 1086 O LYS A 121 29.251 -7.810 3.845 1.00 19.40 O ATOM 1087 CB LYS A 121 32.363 -7.636 3.604 1.00 18.09 C ATOM 1088 CG LYS A 121 33.630 -7.300 2.799 1.00 27.81 C ATOM 1089 CD LYS A 121 34.677 -6.552 3.640 1.00 43.33 C ATOM 1090 CE LYS A 121 35.308 -7.479 4.681 1.00 63.20 C ATOM 1091 NZ LYS A 121 36.429 -6.847 5.444 1.00 60.89 N ATOM 1092 HZ1 LYS A 121 37.180 -6.564 4.783 1.00 0.00 H ATOM 1093 HZ2 LYS A 121 36.075 -6.009 5.948 1.00 0.00 H ATOM 1094 HZ3 LYS A 121 36.808 -7.530 6.130 1.00 0.00 H ATOM 1095 H LYS A 121 30.937 -6.678 1.559 1.00 0.00 H ATOM 1096 N ALA A 122 30.049 -9.896 4.209 1.00 15.41 N ATOM 1097 CA ALA A 122 29.021 -10.241 5.171 1.00 19.32 C ATOM 1098 C ALA A 122 28.932 -9.187 6.260 1.00 18.08 C ATOM 1099 O ALA A 122 29.942 -8.739 6.791 1.00 18.68 O ATOM 1100 CB ALA A 122 29.292 -11.595 5.794 1.00 21.00 C ATOM 1101 H ALA A 122 30.754 -10.612 3.940 1.00 0.00 H ATOM 1102 N GLY A 123 27.702 -8.822 6.586 1.00 18.12 N ATOM 1103 CA GLY A 123 27.440 -7.889 7.659 1.00 19.40 C ATOM 1104 C GLY A 123 27.520 -6.423 7.272 1.00 21.73 C ATOM 1105 O GLY A 123 27.146 -5.563 8.060 1.00 19.20 O ATOM 1106 H GLY A 123 26.900 -9.218 6.055 1.00 0.00 H ATOM 1107 N SER A 124 28.001 -6.120 6.074 1.00 18.82 N ATOM 1108 CA SER A 124 28.215 -4.733 5.678 1.00 17.96 C ATOM 1109 C SER A 124 26.941 -4.048 5.187 1.00 15.34 C ATOM 1110 O SER A 124 26.048 -4.684 4.652 1.00 16.14 O ATOM 1111 CB SER A 124 29.293 -4.654 4.578 1.00 21.44 C ATOM 1112 OG SER A 124 28.813 -5.199 3.348 1.00 19.58 O ATOM 1113 HG SER A 124 28.566 -6.148 3.483 1.00 0.00 H ATOM 1114 H SER A 124 28.229 -6.884 5.406 1.00 0.00 H ATOM 1115 N LEU A 125 26.859 -2.739 5.411 1.00 17.47 N ATOM 1116 CA LEU A 125 25.824 -1.909 4.801 1.00 14.81 C ATOM 1117 C LEU A 125 25.991 -1.876 3.287 1.00 16.33 C ATOM 1118 O LEU A 125 27.089 -1.581 2.795 1.00 17.19 O ATOM 1119 CB LEU A 125 25.889 -0.493 5.370 1.00 18.03 C ATOM 1120 CG LEU A 125 24.797 0.492 4.945 1.00 16.83 C ATOM 1121 CD1 LEU A 125 23.438 0.136 5.532 1.00 18.56 C ATOM 1122 CD2 LEU A 125 25.195 1.938 5.337 1.00 19.82 C ATOM 1123 H LEU A 125 27.555 -2.292 6.041 1.00 0.00 H ATOM 1124 N ILE A 126 24.931 -2.198 2.544 1.00 13.28 N ATOM 1125 CA ILE A 126 25.011 -2.136 1.085 1.00 13.09 C ATOM 1126 C ILE A 126 24.165 -1.039 0.475 1.00 15.20 C ATOM 1127 O ILE A 126 24.451 -0.593 -0.634 1.00 15.48 O ATOM 1128 CB ILE A 126 24.597 -3.465 0.410 1.00 14.95 C ATOM 1129 CG1 ILE A 126 23.154 -3.831 0.730 1.00 15.04 C ATOM 1130 CG2 ILE A 126 25.582 -4.575 0.799 1.00 17.41 C ATOM 1131 CD1 ILE A 126 22.690 -5.029 -0.033 1.00 19.26 C ATOM 1132 H ILE A 126 24.046 -2.494 3.003 1.00 0.00 H ATOM 1133 N ALA A 127 23.130 -0.596 1.175 1.00 14.98 N ATOM 1134 CA ALA A 127 22.255 0.414 0.611 1.00 13.44 C ATOM 1135 C ALA A 127 21.443 1.073 1.709 1.00 16.49 C ATOM 1136 O ALA A 127 21.201 0.481 2.780 1.00 16.17 O ATOM 1137 CB ALA A 127 21.317 -0.176 -0.438 1.00 14.58 C ATOM 1138 H ALA A 127 22.946 -0.972 2.127 1.00 0.00 H ATOM 1139 N VAL A 128 20.974 2.277 1.401 1.00 13.34 N ATOM 1140 CA VAL A 128 19.937 2.941 2.208 1.00 12.39 C ATOM 1141 C VAL A 128 18.849 3.371 1.242 1.00 15.41 C ATOM 1142 O VAL A 128 19.121 4.046 0.235 1.00 16.48 O ATOM 1143 CB VAL A 128 20.463 4.150 2.996 1.00 19.60 C ATOM 1144 CG1 VAL A 128 19.308 4.902 3.682 1.00 17.55 C ATOM 1145 CG2 VAL A 128 21.522 3.691 4.041 1.00 17.77 C ATOM 1146 H VAL A 128 21.351 2.766 0.564 1.00 0.00 H ATOM 1147 N LEU A 129 17.628 2.954 1.545 1.00 16.68 N ATOM 1148 CA LEU A 129 16.465 3.235 0.723 1.00 15.00 C ATOM 1149 C LEU A 129 15.472 4.063 1.498 1.00 14.73 C ATOM 1150 O LEU A 129 15.069 3.663 2.583 1.00 15.14 O ATOM 1151 CB LEU A 129 15.788 1.928 0.271 1.00 18.51 C ATOM 1152 CG LEU A 129 16.723 0.913 -0.386 1.00 16.09 C ATOM 1153 CD1 LEU A 129 15.948 -0.352 -0.715 1.00 22.11 C ATOM 1154 CD2 LEU A 129 17.314 1.484 -1.638 1.00 16.99 C ATOM 1155 H LEU A 129 17.497 2.398 2.414 1.00 0.00 H ATOM 1156 N ILE A 130 15.073 5.205 0.944 1.00 13.63 N ATOM 1157 CA ILE A 130 14.106 6.073 1.612 1.00 13.18 C ATOM 1158 C ILE A 130 12.741 5.957 0.952 1.00 15.24 C ATOM 1159 O ILE A 130 12.573 6.237 -0.234 1.00 18.42 O ATOM 1160 CB ILE A 130 14.575 7.541 1.606 1.00 16.32 C ATOM 1161 CG1 ILE A 130 15.964 7.664 2.262 1.00 25.05 C ATOM 1162 CG2 ILE A 130 13.550 8.429 2.314 1.00 18.25 C ATOM 1163 CD1 ILE A 130 16.586 9.022 2.081 1.00 32.14 C ATOM 1164 H ILE A 130 15.456 5.485 0.019 1.00 0.00 H ATOM 1165 N LEU A 131 11.780 5.506 1.744 1.00 14.15 N ATOM 1166 CA LEU A 131 10.383 5.422 1.380 1.00 12.57 C ATOM 1167 C LEU A 131 9.716 6.710 1.853 1.00 20.10 C ATOM 1168 O LEU A 131 9.771 7.038 3.047 1.00 15.51 O ATOM 1169 CB LEU A 131 9.756 4.198 2.046 1.00 15.43 C ATOM 1170 CG LEU A 131 8.295 3.838 1.819 1.00 16.63 C ATOM 1171 CD1 LEU A 131 8.077 2.430 2.299 1.00 15.90 C ATOM 1172 CD2 LEU A 131 7.340 4.758 2.565 1.00 14.45 C ATOM 1173 H LEU A 131 12.050 5.189 2.697 1.00 0.00 H ATOM 1174 N ARG A 132 9.074 7.420 0.932 1.00 16.84 N ATOM 1175 CA ARG A 132 8.338 8.635 1.287 1.00 15.62 C ATOM 1176 C ARG A 132 6.850 8.359 1.203 1.00 13.20 C ATOM 1177 O ARG A 132 6.346 7.939 0.171 1.00 15.42 O ATOM 1178 CB ARG A 132 8.729 9.806 0.381 1.00 15.81 C ATOM 1179 CG ARG A 132 8.032 11.139 0.681 1.00 19.38 C ATOM 1180 CD ARG A 132 8.332 12.116 -0.494 1.00 25.25 C ATOM 1181 NE ARG A 132 8.390 13.503 -0.077 1.00 41.67 N ATOM 1182 CZ ARG A 132 9.118 14.427 -0.683 1.00 51.69 C ATOM 1183 NH1 ARG A 132 9.864 14.108 -1.734 1.00 35.51 N ATOM 1184 NH2 ARG A 132 9.107 15.675 -0.231 1.00 76.01 N ATOM 1185 HE ARG A 132 7.825 13.789 0.748 1.00 0.00 H ATOM 1186 HH12 ARG A 132 10.435 14.837 -2.207 1.00 0.00 H ATOM 1187 HH11 ARG A 132 9.878 13.129 -2.084 1.00 0.00 H ATOM 1188 HH22 ARG A 132 9.678 16.404 -0.704 1.00 0.00 H ATOM 1189 HH21 ARG A 132 8.528 15.923 0.596 1.00 0.00 H ATOM 1190 H ARG A 132 9.095 7.107 -0.060 1.00 0.00 H ATOM 1191 N GLN A 133 6.161 8.568 2.323 1.00 13.60 N ATOM 1192 CA GLN A 133 4.736 8.384 2.416 1.00 13.50 C ATOM 1193 C GLN A 133 3.975 9.702 2.591 1.00 14.42 C ATOM 1194 O GLN A 133 4.284 10.517 3.470 1.00 15.03 O ATOM 1195 CB GLN A 133 4.404 7.449 3.579 1.00 11.73 C ATOM 1196 CG GLN A 133 2.912 7.194 3.762 1.00 12.95 C ATOM 1197 CD GLN A 133 2.364 7.847 5.026 1.00 14.43 C ATOM 1198 OE1 GLN A 133 3.038 7.901 6.050 1.00 14.82 O ATOM 1199 NE2 GLN A 133 1.146 8.367 4.939 1.00 15.65 N ATOM 1200 HE22 GLN A 133 0.613 8.296 4.049 1.00 0.00 H ATOM 1201 HE21 GLN A 133 0.725 8.845 5.761 1.00 0.00 H ATOM 1202 H GLN A 133 6.677 8.879 3.171 1.00 0.00 H ATOM 1203 N THR A 134 2.976 9.886 1.733 1.00 15.06 N ATOM 1204 CA THR A 134 2.046 11.002 1.796 1.00 16.05 C ATOM 1205 C THR A 134 0.643 10.403 1.657 1.00 14.33 C ATOM 1206 O THR A 134 0.458 9.177 1.681 1.00 15.04 O ATOM 1207 CB THR A 134 2.312 12.035 0.681 1.00 15.03 C ATOM 1208 OG1 THR A 134 2.244 11.357 -0.584 1.00 17.82 O ATOM 1209 CG2 THR A 134 3.686 12.678 0.853 1.00 18.64 C ATOM 1210 HG1 THR A 134 2.412 12.005 -1.314 1.00 0.00 H ATOM 1211 H THR A 134 2.852 9.189 0.971 1.00 0.00 H ATOM 1212 N ASN A 135 -0.358 11.265 1.524 1.00 15.61 N ATOM 1213 CA ASN A 135 -1.717 10.783 1.409 1.00 16.07 C ATOM 1214 C ASN A 135 -2.616 11.830 0.740 1.00 16.11 C ATOM 1215 O ASN A 135 -2.143 12.908 0.378 1.00 17.32 O ATOM 1216 CB ASN A 135 -2.252 10.395 2.795 1.00 16.74 C ATOM 1217 CG ASN A 135 -2.325 11.577 3.755 1.00 15.74 C ATOM 1218 OD1 ASN A 135 -2.718 12.679 3.370 1.00 18.40 O ATOM 1219 ND2 ASN A 135 -1.922 11.353 5.026 1.00 15.25 N ATOM 1220 HD22 ASN A 135 -1.597 10.407 5.309 1.00 0.00 H ATOM 1221 HD21 ASN A 135 -1.937 12.127 5.720 1.00 0.00 H ATOM 1222 H ASN A 135 -0.165 12.287 1.503 1.00 0.00 H ATOM 1223 N ASN A 136 -3.896 11.512 0.593 1.00 17.71 N ATOM 1224 CA ASN A 136 -4.853 12.442 -0.028 1.00 22.75 C ATOM 1225 C ASN A 136 -5.754 13.086 1.005 1.00 25.97 C ATOM 1226 O ASN A 136 -6.853 13.511 0.673 1.00 20.08 O ATOM 1227 CB ASN A 136 -5.717 11.740 -1.089 1.00 22.01 C ATOM 1228 CG ASN A 136 -6.700 10.756 -0.498 1.00 24.80 C ATOM 1229 OD1 ASN A 136 -6.582 10.327 0.657 1.00 18.33 O ATOM 1230 ND2 ASN A 136 -7.692 10.386 -1.302 1.00 25.95 N ATOM 1231 HD22 ASN A 136 -7.752 10.772 -2.266 1.00 0.00 H ATOM 1232 HD21 ASN A 136 -8.408 9.710 -0.967 1.00 0.00 H ATOM 1233 H ASN A 136 -4.231 10.585 0.924 1.00 0.00 H ATOM 1234 N TYR A 137 -5.277 13.179 2.248 1.00 19.60 N ATOM 1235 CA TYR A 137 -6.129 13.526 3.382 1.00 18.71 C ATOM 1236 C TYR A 137 -5.625 14.722 4.177 1.00 22.57 C ATOM 1237 O TYR A 137 -6.409 15.597 4.555 1.00 21.01 O ATOM 1238 CB TYR A 137 -6.261 12.329 4.324 1.00 16.77 C ATOM 1239 CG TYR A 137 -7.184 12.548 5.504 1.00 18.36 C ATOM 1240 CD1 TYR A 137 -8.558 12.472 5.347 1.00 22.08 C ATOM 1241 CD2 TYR A 137 -6.687 12.817 6.787 1.00 19.71 C ATOM 1242 CE1 TYR A 137 -9.415 12.647 6.424 1.00 21.33 C ATOM 1243 CE2 TYR A 137 -7.546 12.988 7.865 1.00 19.74 C ATOM 1244 CZ TYR A 137 -8.919 12.917 7.664 1.00 22.68 C ATOM 1245 OH TYR A 137 -9.796 13.077 8.726 1.00 21.95 O ATOM 1246 HH TYR A 137 -10.727 12.996 8.399 1.00 0.00 H ATOM 1247 H TYR A 137 -4.266 12.999 2.414 1.00 0.00 H ATOM 1248 N ASN A 138 -4.328 14.747 4.454 1.00 18.86 N ATOM 1249 CA ASN A 138 -3.725 15.839 5.202 1.00 20.15 C ATOM 1250 C ASN A 138 -2.346 16.136 4.629 1.00 16.86 C ATOM 1251 O ASN A 138 -2.065 15.747 3.482 1.00 18.20 O ATOM 1252 CB ASN A 138 -3.677 15.504 6.700 1.00 16.70 C ATOM 1253 CG ASN A 138 -2.815 14.289 7.000 1.00 18.91 C ATOM 1254 OD1 ASN A 138 -1.921 13.953 6.230 1.00 16.40 O ATOM 1255 ND2 ASN A 138 -3.096 13.619 8.112 1.00 17.53 N ATOM 1256 HD22 ASN A 138 -3.864 13.943 8.734 1.00 0.00 H ATOM 1257 HD21 ASN A 138 -2.548 12.771 8.361 1.00 0.00 H ATOM 1258 H ASN A 138 -3.726 13.964 4.127 1.00 0.00 H ATOM 1259 N SER A 139 -1.486 16.817 5.380 1.00 16.26 N ATOM 1260 CA SER A 139 -0.189 17.200 4.845 1.00 19.15 C ATOM 1261 C SER A 139 0.957 16.310 5.316 1.00 17.22 C ATOM 1262 O SER A 139 2.126 16.656 5.144 1.00 18.08 O ATOM 1263 CB SER A 139 0.092 18.654 5.195 1.00 22.36 C ATOM 1264 OG SER A 139 -0.766 19.478 4.428 1.00 19.38 O ATOM 1265 HG SER A 139 -1.708 19.257 4.637 1.00 0.00 H ATOM 1266 H SER A 139 -1.742 17.077 6.354 1.00 0.00 H ATOM 1267 N ASP A 140 0.636 15.150 5.879 1.00 16.72 N ATOM 1268 CA ASP A 140 1.690 14.235 6.314 1.00 17.64 C ATOM 1269 C ASP A 140 2.669 13.918 5.179 1.00 15.29 C ATOM 1270 O ASP A 140 2.260 13.614 4.041 1.00 17.31 O ATOM 1271 CB ASP A 140 1.112 12.919 6.821 1.00 15.26 C ATOM 1272 CG ASP A 140 0.321 13.061 8.104 1.00 17.52 C ATOM 1273 OD1 ASP A 140 0.374 14.155 8.724 1.00 17.14 O ATOM 1274 OD2 ASP A 140 -0.362 12.073 8.473 1.00 16.55 O ATOM 1275 H ASP A 140 -0.363 14.893 6.010 1.00 0.00 H ATOM 1276 N ASP A 141 3.950 13.971 5.512 1.00 13.84 N ATOM 1277 CA ASP A 141 5.020 13.679 4.552 1.00 17.52 C ATOM 1278 C ASP A 141 6.161 13.042 5.322 1.00 15.82 C ATOM 1279 O ASP A 141 6.965 13.735 5.931 1.00 16.74 O ATOM 1280 CB ASP A 141 5.448 14.977 3.859 1.00 20.40 C ATOM 1281 CG ASP A 141 6.393 14.755 2.689 1.00 26.57 C ATOM 1282 OD1 ASP A 141 7.045 13.710 2.583 1.00 19.22 O ATOM 1283 OD2 ASP A 141 6.489 15.665 1.865 1.00 30.90 O ATOM 1284 H ASP A 141 4.206 14.228 6.487 1.00 0.00 H ATOM 1285 N PHE A 142 6.186 11.704 5.362 1.00 17.78 N ATOM 1286 CA PHE A 142 7.032 10.995 6.307 1.00 14.64 C ATOM 1287 C PHE A 142 8.084 10.163 5.589 1.00 15.57 C ATOM 1288 O PHE A 142 7.812 9.628 4.523 1.00 17.06 O ATOM 1289 CB PHE A 142 6.174 10.085 7.168 1.00 14.50 C ATOM 1290 CG PHE A 142 5.205 10.804 8.075 1.00 14.73 C ATOM 1291 CD1 PHE A 142 5.579 11.925 8.792 1.00 19.83 C ATOM 1292 CD2 PHE A 142 3.909 10.327 8.210 1.00 13.92 C ATOM 1293 CE1 PHE A 142 4.670 12.537 9.637 1.00 21.03 C ATOM 1294 CE2 PHE A 142 3.014 10.934 9.038 1.00 13.61 C ATOM 1295 CZ PHE A 142 3.385 12.030 9.751 1.00 16.10 C ATOM 1296 H PHE A 142 5.589 11.162 4.705 1.00 0.00 H ATOM 1297 N GLN A 143 9.267 10.048 6.182 1.00 15.08 N ATOM 1298 CA GLN A 143 10.317 9.189 5.630 1.00 13.21 C ATOM 1299 C GLN A 143 10.514 7.939 6.465 1.00 14.67 C ATOM 1300 O GLN A 143 10.678 8.004 7.691 1.00 15.61 O ATOM 1301 CB GLN A 143 11.649 9.940 5.524 1.00 18.71 C ATOM 1302 CG GLN A 143 11.626 11.071 4.505 1.00 22.81 C ATOM 1303 CD GLN A 143 12.980 11.730 4.343 1.00 46.06 C ATOM 1304 OE1 GLN A 143 13.773 11.785 5.287 1.00 47.14 O ATOM 1305 NE2 GLN A 143 13.261 12.224 3.140 1.00 48.08 N ATOM 1306 HE22 GLN A 143 12.562 12.155 2.373 1.00 0.00 H ATOM 1307 HE21 GLN A 143 14.180 12.679 2.966 1.00 0.00 H ATOM 1308 H GLN A 143 9.452 10.579 7.057 1.00 0.00 H ATOM 1309 N PHE A 144 10.442 6.811 5.782 1.00 14.32 N ATOM 1310 CA PHE A 144 10.718 5.499 6.340 1.00 14.37 C ATOM 1311 C PHE A 144 12.062 5.096 5.742 1.00 15.03 C ATOM 1312 O PHE A 144 12.169 4.855 4.535 1.00 16.96 O ATOM 1313 CB PHE A 144 9.602 4.513 5.994 1.00 13.62 C ATOM 1314 CG PHE A 144 8.302 4.788 6.704 1.00 13.67 C ATOM 1315 CD1 PHE A 144 7.499 5.862 6.332 1.00 12.87 C ATOM 1316 CD2 PHE A 144 7.874 3.969 7.747 1.00 15.17 C ATOM 1317 CE1 PHE A 144 6.301 6.116 6.977 1.00 14.77 C ATOM 1318 CE2 PHE A 144 6.676 4.218 8.403 1.00 18.31 C ATOM 1319 CZ PHE A 144 5.895 5.309 8.037 1.00 14.01 C ATOM 1320 H PHE A 144 10.170 6.866 4.780 1.00 0.00 H ATOM 1321 N VAL A 145 13.087 5.077 6.591 1.00 13.61 N ATOM 1322 CA VAL A 145 14.460 4.902 6.155 1.00 14.05 C ATOM 1323 C VAL A 145 14.917 3.475 6.397 1.00 17.24 C ATOM 1324 O VAL A 145 14.920 2.994 7.531 1.00 14.43 O ATOM 1325 CB VAL A 145 15.378 5.886 6.895 1.00 18.17 C ATOM 1326 CG1 VAL A 145 16.829 5.657 6.528 1.00 19.24 C ATOM 1327 CG2 VAL A 145 14.922 7.327 6.625 1.00 17.19 C ATOM 1328 H VAL A 145 12.896 5.192 7.607 1.00 0.00 H ATOM 1329 N TRP A 146 15.274 2.797 5.311 1.00 14.78 N ATOM 1330 CA TRP A 146 15.633 1.377 5.360 1.00 12.47 C ATOM 1331 C TRP A 146 17.120 1.170 5.082 1.00 15.16 C ATOM 1332 O TRP A 146 17.606 1.401 3.971 1.00 14.76 O ATOM 1333 CB TRP A 146 14.796 0.587 4.351 1.00 12.66 C ATOM 1334 CG TRP A 146 13.317 0.814 4.494 1.00 11.62 C ATOM 1335 CD1 TRP A 146 12.531 1.593 3.701 1.00 14.01 C ATOM 1336 CD2 TRP A 146 12.455 0.258 5.494 1.00 11.35 C ATOM 1337 NE1 TRP A 146 11.228 1.565 4.147 1.00 17.32 N ATOM 1338 CE2 TRP A 146 11.159 0.753 5.249 1.00 14.97 C ATOM 1339 CE3 TRP A 146 12.656 -0.619 6.562 1.00 13.02 C ATOM 1340 CZ2 TRP A 146 10.070 0.414 6.047 1.00 17.62 C ATOM 1341 CZ3 TRP A 146 11.563 -0.960 7.354 1.00 16.75 C ATOM 1342 CH2 TRP A 146 10.298 -0.442 7.093 1.00 16.42 C ATOM 1343 HE1 TRP A 146 10.429 2.075 3.719 1.00 0.00 H ATOM 1344 H TRP A 146 15.299 3.291 4.396 1.00 0.00 H ATOM 1345 N ASN A 147 17.833 0.752 6.123 1.00 13.88 N ATOM 1346 CA ASN A 147 19.258 0.469 6.063 1.00 15.89 C ATOM 1347 C ASN A 147 19.478 -1.000 5.739 1.00 13.51 C ATOM 1348 O ASN A 147 19.129 -1.862 6.532 1.00 14.98 O ATOM 1349 CB ASN A 147 19.901 0.811 7.399 1.00 17.21 C ATOM 1350 CG ASN A 147 19.703 2.265 7.774 1.00 22.15 C ATOM 1351 OD1 ASN A 147 20.074 3.166 7.026 1.00 19.90 O ATOM 1352 ND2 ASN A 147 19.079 2.500 8.918 1.00 26.15 N ATOM 1353 HD22 ASN A 147 18.782 1.706 9.521 1.00 0.00 H ATOM 1354 HD21 ASN A 147 18.886 3.478 9.213 1.00 0.00 H ATOM 1355 H ASN A 147 17.344 0.620 7.031 1.00 0.00 H ATOM 1356 N ILE A 148 20.050 -1.278 4.569 1.00 14.44 N ATOM 1357 CA ILE A 148 20.097 -2.640 4.033 1.00 19.92 C ATOM 1358 C ILE A 148 21.492 -3.234 4.225 1.00 15.38 C ATOM 1359 O ILE A 148 22.470 -2.679 3.760 1.00 15.71 O ATOM 1360 CB ILE A 148 19.738 -2.691 2.518 1.00 15.63 C ATOM 1361 CG1 ILE A 148 18.503 -1.828 2.162 1.00 13.64 C ATOM 1362 CG2 ILE A 148 19.530 -4.138 2.073 1.00 14.82 C ATOM 1363 CD1 ILE A 148 17.250 -2.171 2.922 1.00 13.78 C ATOM 1364 H ILE A 148 20.476 -0.505 4.019 1.00 0.00 H ATOM 1365 N TYR A 149 21.550 -4.357 4.928 1.00 14.20 N ATOM 1366 CA TYR A 149 22.787 -5.035 5.279 1.00 17.18 C ATOM 1367 C TYR A 149 22.870 -6.412 4.626 1.00 18.77 C ATOM 1368 O TYR A 149 21.887 -7.142 4.592 1.00 18.05 O ATOM 1369 CB TYR A 149 22.909 -5.221 6.798 1.00 15.43 C ATOM 1370 CG TYR A 149 23.133 -3.924 7.540 1.00 16.91 C ATOM 1371 CD1 TYR A 149 22.071 -3.140 7.941 1.00 17.22 C ATOM 1372 CD2 TYR A 149 24.412 -3.474 7.808 1.00 18.48 C ATOM 1373 CE1 TYR A 149 22.269 -1.938 8.603 1.00 16.69 C ATOM 1374 CE2 TYR A 149 24.625 -2.279 8.464 1.00 20.02 C ATOM 1375 CZ TYR A 149 23.555 -1.512 8.850 1.00 18.81 C ATOM 1376 OH TYR A 149 23.752 -0.317 9.497 1.00 21.56 O ATOM 1377 HH TYR A 149 22.875 0.097 9.698 1.00 0.00 H ATOM 1378 H TYR A 149 20.655 -4.779 5.248 1.00 0.00 H ATOM 1379 N ALA A 150 24.052 -6.762 4.137 1.00 17.73 N ATOM 1380 CA ALA A 150 24.326 -8.109 3.614 1.00 13.72 C ATOM 1381 C ALA A 150 24.453 -9.144 4.725 1.00 17.94 C ATOM 1382 O ALA A 150 25.195 -8.919 5.689 1.00 16.83 O ATOM 1383 CB ALA A 150 25.588 -8.091 2.783 1.00 19.33 C ATOM 1384 H ALA A 150 24.815 -6.056 4.123 1.00 0.00 H ATOM 1385 N ASN A 151 23.744 -10.267 4.587 1.00 17.73 N ATOM 1386 CA ASN A 151 23.899 -11.391 5.530 1.00 18.24 C ATOM 1387 C ASN A 151 25.119 -12.244 5.239 1.00 23.16 C ATOM 1388 O ASN A 151 25.607 -12.970 6.108 1.00 19.38 O ATOM 1389 CB ASN A 151 22.667 -12.276 5.521 1.00 23.73 C ATOM 1390 CG ASN A 151 21.630 -11.831 6.517 1.00 23.63 C ATOM 1391 OD1 ASN A 151 21.942 -11.125 7.487 1.00 21.34 O ATOM 1392 ND2 ASN A 151 20.381 -12.241 6.293 1.00 23.98 N ATOM 1393 HD22 ASN A 151 20.169 -12.833 5.464 1.00 0.00 H ATOM 1394 HD21 ASN A 151 19.619 -11.969 6.947 1.00 0.00 H ATOM 1395 H ASN A 151 23.070 -10.351 3.800 1.00 0.00 H ATOM 1396 N ASN A 152 25.631 -12.142 4.025 1.00 16.63 N ATOM 1397 CA ASN A 152 26.712 -13.021 3.589 1.00 16.90 C ATOM 1398 C ASN A 152 27.607 -12.348 2.555 1.00 18.23 C ATOM 1399 O ASN A 152 27.226 -11.339 1.933 1.00 16.64 O ATOM 1400 CB ASN A 152 26.124 -14.337 3.027 1.00 18.29 C ATOM 1401 CG ASN A 152 25.207 -14.117 1.830 1.00 20.31 C ATOM 1402 OD1 ASN A 152 24.015 -13.821 1.989 1.00 21.14 O ATOM 1403 ND2 ASN A 152 25.756 -14.263 0.625 1.00 18.22 N ATOM 1404 HD22 ASN A 152 26.762 -14.512 0.539 1.00 0.00 H ATOM 1405 HD21 ASN A 152 25.179 -14.128 -0.229 1.00 0.00 H ATOM 1406 H ASN A 152 25.258 -11.425 3.370 1.00 0.00 H ATOM 1407 N ASP A 153 28.808 -12.898 2.382 1.00 16.69 N ATOM 1408 CA ASP A 153 29.696 -12.485 1.298 1.00 17.24 C ATOM 1409 C ASP A 153 29.110 -12.721 -0.091 1.00 20.27 C ATOM 1410 O ASP A 153 28.439 -13.713 -0.335 1.00 19.08 O ATOM 1411 CB ASP A 153 31.020 -13.245 1.315 1.00 18.28 C ATOM 1412 CG ASP A 153 31.910 -12.911 2.490 1.00 26.27 C ATOM 1413 OD1 ASP A 153 31.665 -11.934 3.227 1.00 19.31 O ATOM 1414 OD2 ASP A 153 32.904 -13.646 2.645 1.00 29.74 O ATOM 1415 H ASP A 153 29.122 -13.642 3.037 1.00 0.00 H ATOM 1416 N VAL A 154 29.437 -11.834 -1.019 1.00 18.21 N ATOM 1417 CA VAL A 154 29.164 -12.065 -2.433 1.00 15.54 C ATOM 1418 C VAL A 154 30.500 -12.019 -3.174 1.00 16.32 C ATOM 1419 O VAL A 154 31.269 -11.073 -2.995 1.00 16.10 O ATOM 1420 CB VAL A 154 28.231 -11.028 -3.014 1.00 15.54 C ATOM 1421 CG1 VAL A 154 28.040 -11.285 -4.512 1.00 15.70 C ATOM 1422 CG2 VAL A 154 26.903 -11.008 -2.236 1.00 15.38 C ATOM 1423 H VAL A 154 29.901 -10.949 -0.731 1.00 0.00 H ATOM 1424 N VAL A 155 30.751 -13.038 -4.004 1.00 13.74 N ATOM 1425 CA VAL A 155 32.000 -13.181 -4.749 1.00 13.97 C ATOM 1426 C VAL A 155 31.724 -12.970 -6.230 1.00 15.24 C ATOM 1427 O VAL A 155 30.749 -13.486 -6.761 1.00 17.05 O ATOM 1428 CB VAL A 155 32.643 -14.597 -4.486 1.00 17.07 C ATOM 1429 CG1 VAL A 155 33.703 -14.955 -5.520 1.00 17.71 C ATOM 1430 CG2 VAL A 155 33.198 -14.636 -3.052 1.00 21.49 C ATOM 1431 H VAL A 155 30.019 -13.767 -4.125 1.00 0.00 H ATOM 1432 N VAL A 156 32.617 -12.225 -6.867 1.00 14.52 N ATOM 1433 CA VAL A 156 32.628 -12.060 -8.326 1.00 16.03 C ATOM 1434 C VAL A 156 33.798 -12.866 -8.875 1.00 20.03 C ATOM 1435 O VAL A 156 34.952 -12.572 -8.569 1.00 16.74 O ATOM 1436 CB VAL A 156 32.747 -10.574 -8.731 1.00 15.64 C ATOM 1437 CG1 VAL A 156 32.779 -10.441 -10.277 1.00 18.01 C ATOM 1438 CG2 VAL A 156 31.595 -9.765 -8.121 1.00 18.77 C ATOM 1439 H VAL A 156 33.343 -11.735 -6.307 1.00 0.00 H ATOM 1440 N PRO A 157 33.505 -13.918 -9.635 1.00 17.11 N ATOM 1441 CA PRO A 157 34.613 -14.748 -10.119 1.00 16.63 C ATOM 1442 C PRO A 157 35.583 -14.003 -11.021 1.00 19.89 C ATOM 1443 O PRO A 157 35.214 -13.051 -11.722 1.00 20.43 O ATOM 1444 CB PRO A 157 33.896 -15.872 -10.880 1.00 20.70 C ATOM 1445 CG PRO A 157 32.578 -15.974 -10.189 1.00 18.95 C ATOM 1446 CD PRO A 157 32.200 -14.543 -9.917 1.00 16.46 C ATOM 1447 N THR A 158 36.841 -14.412 -10.960 1.00 19.10 N ATOM 1448 CA THR A 158 37.850 -13.824 -11.827 1.00 24.84 C ATOM 1449 C THR A 158 37.745 -14.505 -13.177 1.00 31.63 C ATOM 1450 O THR A 158 36.971 -15.469 -13.367 1.00 29.90 O ATOM 1451 CB THR A 158 39.257 -13.973 -11.252 1.00 30.34 C ATOM 1452 OG1 THR A 158 39.565 -15.367 -11.104 1.00 30.39 O ATOM 1453 CG2 THR A 158 39.351 -13.276 -9.905 1.00 31.72 C ATOM 1454 OXT THR A 158 38.422 -14.085 -14.112 1.00 37.68 O ATOM 1455 HG1 THR A 158 40.477 -15.465 -10.731 1.00 0.00 H ATOM 1456 H THR A 158 37.109 -15.159 -10.288 1.00 0.00 H TER 1457 THR A 158 HETATM 1458 C UNK A 1 1.911 -1.791 4.720 1.00 16.07 C HETATM 1459 O UNK A 1 1.435 -2.692 4.030 1.00 16.61 O HETATM 1460 C1 UNN A 2 -10.614 7.125 12.022 1.00 0.05 C HETATM 1461 C2 UNN A 2 -9.292 7.124 11.565 1.00 -0.03 C HETATM 1462 C10 UNN A 2 -8.522 8.267 11.701 1.00 -0.02 C HETATM 1463 C8 UNN A 2 -9.050 9.406 12.303 1.00 -0.03 C HETATM 1464 C01 UNN A 2 -10.375 9.425 12.763 1.00 0.05 C HETATM 1465 C5 UNN A 2 -11.157 8.275 12.618 1.00 -0.02 C HETATM 1466 H4 UNN A 2 -12.184 8.271 12.966 1.00 0.07 H HETATM 1467 C13 UNN A 2 -10.905 10.720 13.416 1.00 0.21 C HETATM 1468 O21 UNN A 2 -11.903 10.706 14.142 1.00 -0.38 O HETATM 1469 N UNN A 2 -10.191 11.951 13.172 1.00 -0.29 N HETATM 1470 C19 UNN A 2 -10.613 13.213 13.749 1.00 0.02 C HETATM 1471 H15 UNN A 2 -9.926 14.010 13.430 1.00 0.05 H HETATM 1472 H16 UNN A 2 -10.601 13.137 14.846 1.00 0.05 H HETATM 1473 H17 UNN A 2 -11.632 13.449 13.409 1.00 0.05 H HETATM 1474 H28 UNN A 2 -9.380 11.933 12.587 1.00 0.18 H HETATM 1475 H6 UNN A 2 -8.430 10.288 12.418 1.00 0.07 H HETATM 1476 C9 UNN A 2 -7.048 8.318 11.233 1.00 -0.03 C HETATM 1477 C3 UNN A 2 -6.190 7.236 11.365 1.00 -0.07 C HETATM 1478 C6 UNN A 2 -4.848 7.354 10.938 1.00 -0.04 C HETATM 1479 C12 UNN A 2 -4.423 8.568 10.394 1.00 0.10 C HETATM 1480 C7 UNN A 2 -5.286 9.637 10.279 1.00 -0.01 C HETATM 1481 C4 UNN A 2 -6.613 9.516 10.697 1.00 -0.06 C HETATM 1482 H3 UNN A 2 -7.295 10.353 10.602 1.00 0.05 H HETATM 1483 C11 UNN A 2 -4.812 10.917 9.707 1.00 -0.03 C HETATM 1484 H7 UNN A 2 -5.638 11.643 9.698 1.00 0.04 H HETATM 1485 H8 UNN A 2 -4.459 10.751 8.678 1.00 0.04 H HETATM 1486 H9 UNN A 2 -3.986 11.309 10.319 1.00 0.04 H HETATM 1487 O27 UNN A 2 -3.100 8.819 9.945 1.00 -0.29 O HETATM 1488 C18 UNN A 2 -2.239 7.728 9.847 1.00 0.21 C HETATM 1489 C16 UNN A 2 -0.942 8.331 9.350 1.00 0.14 C HETATM 1490 C14 UNN A 2 -1.194 8.980 7.989 1.00 0.11 C HETATM 1491 C15 UNN A 2 -1.753 7.964 7.046 1.00 0.11 C HETATM 1492 C17 UNN A 2 -2.990 7.319 7.648 1.00 0.11 C HETATM 1493 C20 UNN A 2 -3.491 6.200 6.769 1.00 0.07 C HETATM 1494 O26 UNN A 2 -2.501 5.175 6.726 1.00 -0.39 O HETATM 1495 H23 UNN A 2 -2.806 4.464 6.175 1.00 0.21 H HETATM 1496 H18 UNN A 2 -3.674 6.581 5.753 1.00 0.06 H HETATM 1497 H19 UNN A 2 -4.426 5.794 7.183 1.00 0.06 H HETATM 1498 O22 UNN A 2 -2.707 6.760 8.930 1.00 -0.34 O HETATM 1499 H13 UNN A 2 -3.773 8.085 7.749 1.00 0.06 H HETATM 1500 O24 UNN A 2 -2.061 8.598 5.790 1.00 -0.39 O HETATM 1501 H21 UNN A 2 -2.393 7.948 5.182 1.00 0.21 H HETATM 1502 H11 UNN A 2 -0.998 7.183 6.873 1.00 0.06 H HETATM 1503 O23 UNN A 2 0.035 9.481 7.497 1.00 -0.39 O HETATM 1504 H20 UNN A 2 0.380 10.124 8.105 1.00 0.21 H HETATM 1505 H10 UNN A 2 -1.911 9.807 8.100 1.00 0.06 H HETATM 1506 O25 UNN A 2 0.006 7.313 9.265 1.00 -0.38 O HETATM 1507 H22 UNN A 2 0.828 7.673 8.954 1.00 0.21 H HETATM 1508 H12 UNN A 2 -0.590 9.097 10.057 1.00 0.07 H HETATM 1509 H14 UNN A 2 -2.101 7.258 10.832 1.00 0.10 H HETATM 1510 H5 UNN A 2 -4.163 6.519 11.031 1.00 0.05 H HETATM 1511 H2 UNN A 2 -6.547 6.306 11.793 1.00 0.05 H HETATM 1512 H1 UNN A 2 -8.873 6.235 11.108 1.00 0.07 H HETATM 1513 C02 UNN A 2 -11.506 5.874 11.868 1.00 0.21 C HETATM 1514 O3 UNN A 2 -12.703 6.046 11.987 1.00 -0.38 O HETATM 1515 N1 UNN A 2 -11.041 4.526 11.588 1.00 -0.29 N HETATM 1516 C21 UNN A 2 -9.663 4.120 11.411 1.00 0.02 C HETATM 1517 H25 UNN A 2 -9.622 3.039 11.211 1.00 0.05 H HETATM 1518 H26 UNN A 2 -9.094 4.346 12.325 1.00 0.05 H HETATM 1519 H27 UNN A 2 -9.226 4.666 10.562 1.00 0.05 H HETATM 1520 H24 UNN A 2 -11.738 3.813 11.510 1.00 0.18 H HETATM 1521 O HOH 1 26.028 -14.516 -12.409 1.00 27.24 O HETATM 1522 O HOH 2 29.901 -8.236 11.012 1.00 49.00 O HETATM 1523 O HOH 3 -1.695 18.074 7.868 1.00 23.27 O HETATM 1524 O HOH 4 5.639 0.826 -13.559 1.00 34.51 O HETATM 1525 O HOH 5 -10.472 -2.743 7.251 1.00 47.74 O HETATM 1526 O HOH 6 15.694 -8.498 7.586 1.00 28.76 O HETATM 1527 O HOH 7 24.425 2.460 -11.507 1.00 32.27 O HETATM 1528 O HOH 8 -8.696 12.741 11.288 1.00 32.01 O HETATM 1529 O HOH 9 -12.102 13.997 8.186 1.00 36.58 O HETATM 1530 O HOH 10 -2.423 18.563 2.721 1.00 36.59 O HETATM 1531 O HOH 11 14.982 8.150 10.365 1.00 32.14 O HETATM 1532 O HOH 12 11.702 14.509 -4.951 1.00 30.57 O HETATM 1533 O HOH 13 28.706 -6.427 -15.169 1.00 19.29 O HETATM 1534 O HOH 14 20.326 5.705 7.377 1.00 26.43 O HETATM 1535 O HOH 15 14.262 7.185 -6.231 1.00 15.07 O HETATM 1536 O HOH 16 -1.467 -7.530 0.711 1.00 40.23 O HETATM 1537 O HOH 17 21.821 0.990 10.623 1.00 27.34 O HETATM 1538 O HOH 18 35.079 -12.898 3.836 1.00 30.47 O HETATM 1539 O HOH 19 28.832 -2.402 -13.917 1.00 38.20 O HETATM 1540 O HOH 20 16.673 -12.078 5.417 1.00 38.49 O HETATM 1541 O HOH 21 10.892 -5.693 -16.463 1.00 25.43 O HETATM 1542 O HOH 22 14.501 10.779 7.594 1.00 42.92 O HETATM 1543 O HOH 23 0.411 21.659 3.578 1.00 16.85 O HETATM 1544 O HOH 24 8.431 -4.841 -15.321 1.00 43.83 O HETATM 1545 O HOH 25 36.610 -10.377 -12.052 1.00 32.15 O HETATM 1546 O HOH 26 19.749 9.528 -14.204 1.00 33.49 O HETATM 1547 O HOH 27 23.109 6.181 -10.874 1.00 24.12 O HETATM 1548 O HOH 28 1.526 12.822 -2.654 1.00 25.91 O HETATM 1549 O HOH 29 35.685 -16.254 -15.530 1.00 47.70 O HETATM 1550 O HOH 30 -13.195 10.600 9.177 1.00 43.77 O HETATM 1551 O HOH 31 -9.099 11.238 2.053 1.00 33.10 O HETATM 1552 O HOH 32 15.507 12.179 -3.574 1.00 33.96 O HETATM 1553 O HOH 33 -1.325 15.911 9.730 1.00 27.95 O HETATM 1554 O HOH 34 9.088 -10.861 -5.372 1.00 35.75 O HETATM 1555 O HOH 35 2.846 -2.241 -7.091 1.00 38.44 O HETATM 1556 O HOH 36 26.123 0.862 9.544 1.00 33.62 O HETATM 1557 O HOH 37 -1.309 12.050 10.947 1.00 24.36 O HETATM 1558 O HOH 38 2.682 7.290 8.772 1.00 14.38 O HETATM 1559 O HOH 39 19.242 7.051 0.335 1.00 18.68 O HETATM 1560 O HOH 40 22.187 1.681 -14.592 1.00 34.37 O HETATM 1561 O HOH 41 26.959 6.404 -0.474 1.00 32.40 O HETATM 1562 O HOH 42 17.139 10.112 -5.994 1.00 19.64 O HETATM 1563 O HOH 43 -5.768 8.588 -5.389 1.00 35.82 O HETATM 1564 O HOH 44 28.786 -3.400 1.349 1.00 18.33 O HETATM 1565 O HOH 45 19.760 13.589 -10.178 1.00 22.98 O HETATM 1566 O HOH 46 15.752 -3.192 -12.694 1.00 21.98 O HETATM 1567 O HOH 47 7.375 8.014 13.958 1.00 17.01 O HETATM 1568 O HOH 48 32.713 1.761 -0.843 1.00 29.58 O HETATM 1569 O HOH 49 6.599 11.100 -7.299 1.00 30.99 O HETATM 1570 O HOH 50 22.838 -16.667 0.151 1.00 41.83 O HETATM 1571 O HOH 51 2.497 -3.220 7.718 1.00 17.63 O HETATM 1572 O HOH 52 7.662 -8.086 11.333 1.00 25.30 O HETATM 1573 O HOH 53 7.612 2.992 -10.650 1.00 17.70 O HETATM 1574 O HOH 54 27.450 -14.928 6.452 1.00 40.85 O HETATM 1575 O HOH 55 -9.068 15.054 0.967 1.00 38.58 O HETATM 1576 O HOH 56 -2.873 -3.550 9.903 1.00 41.70 O HETATM 1577 O HOH 57 0.043 14.013 2.518 1.00 14.94 O HETATM 1578 O HOH 58 6.602 -10.616 -0.662 1.00 19.99 O HETATM 1579 O HOH 59 -7.864 4.345 -1.854 1.00 34.46 O HETATM 1580 O HOH 60 29.414 -0.815 3.989 1.00 20.71 O HETATM 1581 O HOH 61 7.765 5.525 -14.504 1.00 32.70 O HETATM 1582 O HOH 62 0.767 -10.273 6.861 1.00 16.00 O HETATM 1583 O HOH 63 22.122 -4.266 -13.660 1.00 22.69 O HETATM 1584 O HOH 64 14.323 -8.621 15.786 1.00 46.53 O HETATM 1585 O HOH 65 -0.169 -5.320 9.934 1.00 37.40 O HETATM 1586 O HOH 66 31.095 -6.439 7.735 1.00 43.11 O HETATM 1587 O HOH 67 3.369 -4.807 -3.404 1.00 25.76 O HETATM 1588 O HOH 68 12.562 -12.765 -3.957 1.00 35.96 O HETATM 1589 O HOH 69 13.023 -3.275 -16.094 1.00 33.27 O HETATM 1590 O HOH 70 -6.394 -3.401 -1.637 1.00 37.76 O HETATM 1591 O HOH 71 3.062 9.420 -8.813 1.00 31.85 O HETATM 1592 O HOH 72 2.918 17.791 2.762 1.00 41.12 O HETATM 1593 O HOH 73 4.578 -1.251 12.218 1.00 22.39 O HETATM 1594 O HOH 74 2.481 15.734 9.554 1.00 31.61 O HETATM 1595 O HOH 75 17.942 -12.224 7.610 1.00 44.98 O HETATM 1596 O HOH 76 2.929 1.169 -10.543 1.00 49.18 O HETATM 1597 O HOH 77 -4.799 -0.287 11.378 1.00 38.46 O HETATM 1598 O HOH 78 14.109 -12.922 -0.599 1.00 41.60 O HETATM 1599 O HOH 79 7.353 12.141 12.142 1.00 24.59 O HETATM 1600 O HOH 80 23.584 -13.991 -18.786 1.00 34.28 O HETATM 1601 O HOH 81 -7.584 2.790 -3.988 1.00 34.02 O HETATM 1602 O HOH 82 30.124 -15.727 -1.329 1.00 29.79 O HETATM 1603 O HOH 83 32.908 -12.805 -13.307 1.00 21.26 O HETATM 1604 O HOH 84 16.676 6.631 -10.254 1.00 17.74 O HETATM 1605 O HOH 85 -7.737 3.652 0.593 1.00 23.20 O HETATM 1606 O HOH 86 12.717 9.315 9.127 1.00 28.98 O HETATM 1607 O HOH 87 23.043 -15.671 3.880 1.00 36.30 O HETATM 1608 O HOH 88 3.056 3.925 -9.913 1.00 48.82 O HETATM 1609 O HOH 89 -1.706 -2.150 2.417 1.00 21.68 O HETATM 1610 O HOH 90 -0.256 2.306 12.942 1.00 22.40 O HETATM 1611 O HOH 91 -3.549 19.447 4.905 1.00 17.11 O HETATM 1612 O HOH 92 15.830 8.282 -11.991 1.00 33.15 O HETATM 1613 O HOH 93 -9.441 8.101 -0.394 1.00 25.35 O HETATM 1614 O HOH 94 21.347 -15.699 6.838 1.00 45.34 O HETATM 1615 O HOH 95 -1.857 -7.691 7.611 1.00 35.33 O HETATM 1616 O HOH 96 32.678 -1.910 -15.695 1.00 46.89 O HETATM 1617 O HOH 97 16.792 -11.043 -3.272 1.00 28.87 O HETATM 1618 O HOH 98 21.728 -11.812 -14.658 1.00 23.78 O HETATM 1619 O HOH 99 22.672 -13.446 -8.981 1.00 31.38 O HETATM 1620 O HOH 100 13.124 -0.151 13.560 1.00 17.88 O HETATM 1621 O HOH 101 15.259 -2.115 12.672 1.00 24.55 O HETATM 1622 O HOH 102 20.528 -12.474 -4.414 1.00 20.42 O HETATM 1623 O HOH 103 15.604 -10.416 0.131 1.00 27.07 O HETATM 1624 O HOH 104 26.932 -14.505 -18.772 1.00 41.48 O HETATM 1625 O HOH 105 -2.557 -1.549 -0.131 1.00 19.94 O HETATM 1626 O HOH 106 38.654 -11.522 -2.168 1.00 39.62 O HETATM 1627 O HOH 107 4.555 15.585 7.814 1.00 21.01 O HETATM 1628 O HOH 108 30.413 3.232 1.710 1.00 29.28 O HETATM 1629 O HOH 109 4.653 9.986 -1.370 1.00 17.13 O HETATM 1630 O HOH 110 31.585 -4.920 1.220 1.00 20.35 O HETATM 1631 O HOH 111 9.394 11.262 8.797 1.00 24.09 O HETATM 1632 O HOH 112 20.660 -12.691 -7.493 1.00 19.96 O HETATM 1633 O HOH 113 -8.473 -2.954 4.612 1.00 26.40 O HETATM 1634 O HOH 114 -0.431 2.003 -7.197 1.00 29.23 O HETATM 1635 O HOH 115 15.412 14.091 2.576 1.00 48.80 O HETATM 1636 O HOH 116 12.387 -12.699 3.884 1.00 26.23 O HETATM 1637 O HOH 117 29.601 -15.013 4.222 1.00 18.82 O HETATM 1638 O HOH 118 8.316 -4.465 -9.237 1.00 22.63 O HETATM 1639 O HOH 119 29.025 -1.495 6.921 1.00 24.17 O HETATM 1640 O HOH 120 -4.402 13.178 -4.390 1.00 43.07 O HETATM 1641 O HOH 121 10.981 12.846 -9.586 1.00 32.59 O HETATM 1642 O HOH 122 21.053 -11.569 10.242 1.00 41.99 O HETATM 1643 O HOH 123 32.644 -9.888 6.772 1.00 37.38 O HETATM 1644 O HOH 124 16.901 -12.584 2.533 1.00 36.30 O HETATM 1645 O HOH 125 34.543 -1.775 -0.776 1.00 38.37 O HETATM 1646 O HOH 126 12.685 7.535 -10.180 1.00 25.73 O HETATM 1647 O HOH 127 26.644 1.313 -6.833 1.00 29.00 O HETATM 1648 O HOH 128 18.686 -10.525 -14.037 1.00 33.41 O HETATM 1649 O HOH 129 10.493 -4.581 -7.942 1.00 21.37 O HETATM 1650 O HOH 130 19.996 -12.456 -12.151 1.00 36.13 O HETATM 1651 O HOH 131 25.901 -18.075 -13.711 1.00 42.25 O HETATM 1652 O HOH 132 26.301 -16.860 -10.706 1.00 39.11 O HETATM 1653 O HOH 133 2.122 2.921 14.197 1.00 19.69 O HETATM 1654 O HOH 134 25.555 8.406 0.403 1.00 48.42 O HETATM 1655 O HOH 135 -15.019 6.225 9.818 1.00 52.44 O HETATM 1656 O HOH 136 -0.484 14.351 -1.713 1.00 35.28 O HETATM 1657 O HOH 137 21.304 13.682 2.797 1.00 35.17 O HETATM 1658 O HOH 138 29.689 -18.363 -11.685 1.00 31.86 O HETATM 1659 O HOH 139 7.441 -11.040 -3.260 1.00 32.58 O HETATM 1660 O HOH 140 5.803 11.874 -2.972 1.00 27.68 O HETATM 1661 O HOH 141 28.133 -15.414 -16.713 1.00 31.42 O HETATM 1662 O HOH 142 28.302 -16.525 0.926 1.00 38.41 O HETATM 1663 O HOH 143 19.034 5.554 9.698 1.00 35.25 O HETATM 1664 O HOH 144 25.276 -6.326 10.405 1.00 46.53 O HETATM 1665 O HOH 145 18.850 -14.295 -2.453 1.00 45.20 O HETATM 1666 O HOH 146 17.978 1.731 11.962 1.00 38.20 O HETATM 1667 O HOH 147 40.405 -16.653 -8.394 1.00 37.29 O HETATM 1668 O HOH 148 -8.027 -5.398 4.968 1.00 37.43 O HETATM 1669 O HOH 149 24.552 0.089 -8.269 1.00 34.92 O HETATM 1670 O HOH 150 -8.112 12.074 -3.897 1.00 36.55 O HETATM 1671 O HOH 151 19.370 3.584 12.391 1.00 49.31 O HETATM 1672 O HOH 152 22.821 -11.570 -17.752 1.00 37.62 O HETATM 1673 O HOH 153 10.113 -6.179 -5.926 1.00 23.04 O HETATM 1674 O HOH 154 0.330 -0.500 12.624 1.00 26.47 O HETATM 1675 O HOH 155 7.308 -6.161 13.278 1.00 26.95 O HETATM 1676 O HOH 156 15.747 -14.434 5.386 1.00 48.01 O HETATM 1677 O HOH 157 7.066 15.404 8.776 1.00 46.10 O HETATM 1678 O HOH 158 7.558 -7.358 -5.974 1.00 39.02 O HETATM 1679 O HOH 159 20.705 -16.335 -2.445 1.00 35.37 O HETATM 1680 O HOH 160 13.227 14.332 -3.108 1.00 40.64 O HETATM 1681 O HOH 161 2.931 -2.671 10.416 1.00 22.42 O HETATM 1682 O HOH 162 24.119 9.428 -1.172 1.00 34.20 O HETATM 1683 O HOH 163 6.939 4.206 -16.564 1.00 37.49 O HETATM 1684 O HOH 164 19.419 1.383 14.046 1.00 42.99 O HETATM 1685 O HOH 165 24.079 -4.597 11.605 1.00 43.58 O HETATM 1686 O HOH 166 5.860 -8.813 -4.164 1.00 39.70 O HETATM 1687 O HOH 167 -3.134 -5.775 0.930 1.00 38.80 O HETATM 1688 O HOH 168 -3.835 -3.915 -1.093 1.00 35.47 O HETATM 1689 O HOH 169 14.497 6.141 -8.767 1.00 22.39 O HETATM 1690 O HOH 170 3.842 -4.005 -7.912 1.00 42.50 O HETATM 1691 O HOH 171 25.194 11.866 -0.763 1.00 32.67 O HETATM 1692 O HOH 172 -3.046 2.507 13.973 1.00 32.28 O HETATM 1693 O HOH 173 8.413 12.754 -8.705 1.00 50.10 O HETATM 1694 O HOH 174 15.164 8.119 13.076 1.00 48.05 O HETATM 1695 O HOH 175 -3.335 -2.331 11.707 1.00 34.60 O HETATM 1696 O HOH 176 26.112 -17.821 1.236 1.00 43.17 O HETATM 1697 O HOH 177 34.134 -4.949 -0.117 1.00 39.74 O HETATM 1698 O HOH 178 -4.212 0.340 13.878 1.00 44.09 O HETATM 1699 O HOH 179 0.984 -4.223 11.701 1.00 39.23 O HETATM 1700 O HOH 180 27.785 3.320 -7.942 1.00 44.67 O HETATM 1701 O HOH 181 29.741 1.999 4.230 1.00 39.96 O HETATM 1702 O HOH 182 14.322 -12.612 6.215 1.00 46.73 O HETATM 1703 O HOH 183 5.208 11.954 -5.475 1.00 43.76 O HETATM 1704 O HOH 184 14.325 -13.724 1.977 1.00 42.67 O HETATM 1705 O HOH 185 2.289 20.245 2.287 1.00 43.95 O HETATM 1706 O HOH 186 31.845 -2.742 3.083 1.00 32.24 O HETATM 1707 O HOH 187 33.746 -1.316 1.547 1.00 40.08 O HETATM 1708 O HOH 188 23.908 -2.552 12.722 1.00 49.81 O HETATM 1709 O HOH 189 20.839 -11.458 -16.581 1.00 38.64 O HETATM 1710 O HOH 190 7.750 10.548 14.640 1.00 37.53 O HETATM 1711 O HOH 191 21.347 -15.271 -18.393 1.00 39.09 O HETATM 1712 O HOH 192 23.572 3.798 9.291 1.00 47.27 O HETATM 1713 O HOH 193 -1.947 -9.991 7.021 1.00 39.55 O HETATM 1714 O HOH 194 30.521 -0.236 -14.953 1.00 47.83 O HETATM 1715 O HOH 195 28.843 -4.468 -17.193 1.00 23.75 O HETATM 1716 O HOH 196 19.865 3.150 -16.145 1.00 35.71 O HETATM 1717 O HOH 197 21.563 -14.607 -13.565 1.00 43.54 O HETATM 1718 O HOH 198 4.914 3.195 -11.504 1.00 40.45 O HETATM 1719 O HOH 199 23.942 4.774 7.436 1.00 45.35 O HETATM 1720 O HOH 200 6.321 -5.576 -8.406 1.00 41.52 O HETATM 1721 O HOH 201 36.322 -10.644 3.495 1.00 45.98 O HETATM 1722 O HOH 202 20.279 -16.637 -5.450 1.00 39.48 O HETATM 1723 O HOH 203 3.363 10.497 -10.410 1.00 45.21 O HETATM 1724 O HOH 204 15.429 -12.845 -4.980 1.00 49.52 O HETATM 1725 O HOH 205 -14.952 4.027 8.713 1.00 44.03 O HETATM 1726 O HOH 206 5.492 -6.653 -4.710 1.00 33.54 O HETATM 1727 O HOH 207 26.860 3.765 -10.566 1.00 47.07 O HETATM 1728 O HOH 208 5.072 -4.991 13.290 1.00 39.43 O HETATM 1729 O HOH 209 28.408 0.739 7.965 1.00 40.53 O HETATM 1730 O HOH 210 21.594 -0.126 -16.578 1.00 21.57 O HETATM 1731 O HOH 211 32.571 -4.321 5.974 1.00 45.76 O HETATM 1732 O HOH 212 29.653 5.923 1.398 1.00 34.95 O HETATM 1733 O HOH 213 17.862 9.893 6.676 1.00 46.97 O HETATM 1734 O HOH 214 24.825 -17.501 4.995 1.00 44.89 O HETATM 1735 O HOH 215 1.235 -6.491 -3.753 1.00 32.88 O HETATM 1736 O HOH 216 -4.507 7.139 -7.692 1.00 47.17 O HETATM 1737 O HOH 217 20.124 8.115 5.545 1.00 49.10 O CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 26 25 27 CONECT 27 26 28 CONECT 373 363 374 375 376 CONECT 374 373 CONECT 375 373 CONECT 376 373 CONECT 1458 1459 CONECT 1459 1458 CONECT 1460 1461 1465 1513 CONECT 1461 1460 1462 1512 CONECT 1462 1461 1463 1476 CONECT 1463 1462 1464 1475 CONECT 1464 1463 1465 1467 CONECT 1465 1460 1464 1466 CONECT 1466 1465 CONECT 1467 1464 1468 1469 CONECT 1468 1467 CONECT 1469 1467 1470 1474 CONECT 1470 1469 1471 1472 1473 CONECT 1471 1470 CONECT 1472 1470 CONECT 1473 1470 CONECT 1474 1469 CONECT 1475 1463 CONECT 1476 1462 1477 1481 CONECT 1477 1476 1478 1511 CONECT 1478 1477 1479 1510 CONECT 1479 1478 1480 1487 CONECT 1480 1479 1481 1483 CONECT 1481 1476 1480 1482 CONECT 1482 1481 CONECT 1483 1480 1484 1485 1486 CONECT 1484 1483 CONECT 1485 1483 CONECT 1486 1483 CONECT 1487 1479 1488 CONECT 1488 1487 1489 1498 1509 CONECT 1489 1488 1490 1506 1508 CONECT 1490 1489 1491 1503 1505 CONECT 1491 1490 1492 1500 1502 CONECT 1492 1491 1493 1498 1499 CONECT 1493 1492 1494 1496 1497 CONECT 1494 1493 1495 CONECT 1495 1494 CONECT 1496 1493 CONECT 1497 1493 CONECT 1498 1488 1492 CONECT 1499 1492 CONECT 1500 1491 1501 CONECT 1501 1500 CONECT 1502 1491 CONECT 1503 1490 1504 CONECT 1504 1503 CONECT 1505 1490 CONECT 1506 1489 1507 CONECT 1507 1506 CONECT 1508 1489 CONECT 1509 1488 CONECT 1510 1478 CONECT 1511 1477 CONECT 1512 1461 CONECT 1513 1460 1514 1515 CONECT 1514 1513 CONECT 1515 1513 1516 1520 CONECT 1516 1515 1517 1518 1519 CONECT 1517 1516 CONECT 1518 1516 CONECT 1519 1516 CONECT 1520 1515 MASTER 0 0 0 0 0 0 0 0 1735 2 73 13 END
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Related entries of code: 5f2f
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%
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%
6g2s
RCSB PDB
PDBbind
158aa, >6G2S_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
5f2f
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
FimH lectin domain
Ligand Name
5U7
EC.Number
E.C.-.-.-.-
Resolution
1.67(Å)
Affinity (Kd/Ki/IC50)
IC50=0.12uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Chemmedchem Vol. 11: pp. 367-373
Ligand Properties
Formula
C
2
3
H
2
8
N
2
O
8
Molecular Weight
460.477
Exact Mass
460.185
No. of atoms
61
No. of bonds
63
Polar Surface Area
157.58
LOGP Value
0.31 (
Computed with XLOGP3
)
0.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H](Oc2ccc(cc2C)c2cc(cc(c2)C(=O)NC)C(=O)NC)[C@H]([C@H]([C@@H]1O)O)O
InChI String
InChI=1S/C23H28N2O8/c1-11-6-12(13-7-14(21(30)24-2)9-15(8-13)22(31)25-3)4-5-16(11)32-23-20(29)19(28)18(27)17(10-26)33-23/h4-9,17-20,23,26-29H,10H2,1-3H3,(H,24,30)(H,25,31)/t17-,18-,19+,20+,23+/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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