Browse entries in the PDBbind-CN Database
HEADER 3S8O_COMPLEX COMPND 3S8O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 GLU MET LYS PRO HIS PRO TRP PHE PHE GLY LYS ILE PRO SEQRES 2 A 101 ARG ALA LYS ALA GLU GLU MET LEU SER LYS GLN ARG HIS SEQRES 3 A 101 ASP GLY ALA PHE LEU ILE ARG GLU SER GLU SER ALA PRO SEQRES 4 A 101 GLY ASP PHE SER LEU SER VAL LYS PHE GLY ASN ASP VAL SEQRES 5 A 101 GLN HIS PHE LYS VAL LEU ARG ASP GLY ALA GLY LYS TYR SEQRES 6 A 101 PHE LEU TRP VAL VAL LYS PHE ASN SER LEU ASN GLU LEU SEQRES 7 A 101 VAL ASP TYR HIS ARG SER THR SER VAL SER ARG ASN GLN SEQRES 8 A 101 GLN ILE PHE LEU ARG ASP ILE GLU GLN VAL HET ACE A 194 67 ATOM 1 CA GLU A 54 11.945 -41.557 10.396 1.00 50.72 C ATOM 2 C GLU A 54 12.153 -40.340 9.441 1.00 50.23 C ATOM 3 O GLU A 54 11.250 -39.511 9.284 1.00 50.64 O ATOM 4 CB GLU A 54 11.932 -41.111 11.881 1.00 50.45 C ATOM 5 HA GLU A 54 10.994 -42.036 10.160 1.00 0.00 H ATOM 6 HB2 GLU A 54 12.882 -40.636 12.125 1.00 0.00 H ATOM 7 HB3 GLU A 54 11.119 -40.402 12.039 1.00 0.00 H ATOM 8 N MET A 55 13.332 -40.273 8.794 1.00 49.46 N ATOM 9 CA MET A 55 13.795 -39.135 7.944 1.00 47.60 C ATOM 10 C MET A 55 13.037 -38.808 6.629 1.00 44.32 C ATOM 11 O MET A 55 13.067 -39.585 5.657 1.00 44.61 O ATOM 12 CB MET A 55 15.294 -39.269 7.621 1.00 48.93 C ATOM 13 CG MET A 55 16.230 -38.786 8.693 1.00 54.07 C ATOM 14 SD MET A 55 15.490 -37.509 9.746 1.00 65.07 S ATOM 15 CE MET A 55 15.030 -36.194 8.593 1.00 62.66 C ATOM 16 HA MET A 55 13.562 -38.289 8.591 1.00 0.00 H ATOM 17 HB2 MET A 55 15.506 -40.322 7.439 1.00 0.00 H ATOM 18 HB3 MET A 55 15.496 -38.697 6.715 1.00 0.00 H ATOM 19 HG2 MET A 55 17.121 -38.374 8.219 1.00 0.00 H ATOM 20 HG3 MET A 55 16.512 -39.633 9.318 1.00 0.00 H ATOM 21 HE1 MET A 55 15.922 -35.835 8.079 1.00 0.00 H ATOM 22 HE2 MET A 55 14.321 -36.584 7.863 1.00 0.00 H ATOM 23 HE3 MET A 55 14.571 -35.373 9.144 1.00 0.00 H ATOM 24 H MET A 55 13.976 -41.083 8.895 1.00 0.00 H ATOM 25 N LYS A 56 12.397 -37.633 6.610 1.00 40.18 N ATOM 26 CA LYS A 56 11.561 -37.188 5.479 1.00 35.23 C ATOM 27 C LYS A 56 12.018 -35.839 4.873 1.00 29.84 C ATOM 28 O LYS A 56 12.524 -34.982 5.591 1.00 29.36 O ATOM 29 CB LYS A 56 10.107 -37.134 5.910 1.00 35.90 C ATOM 30 CG LYS A 56 9.478 -38.561 6.167 1.00 41.61 C ATOM 31 CD LYS A 56 7.906 -38.566 5.965 1.00 50.34 C ATOM 32 CE LYS A 56 7.378 -37.963 4.583 1.00 54.78 C ATOM 33 NZ LYS A 56 7.656 -38.747 3.288 1.00 57.54 N ATOM 34 HA LYS A 56 11.677 -37.921 4.681 1.00 0.00 H ATOM 35 HB2 LYS A 56 10.040 -36.555 6.831 1.00 0.00 H ATOM 36 HB3 LYS A 56 9.532 -36.638 5.128 1.00 0.00 H ATOM 37 HG2 LYS A 56 9.924 -39.272 5.472 1.00 0.00 H ATOM 38 HG3 LYS A 56 9.702 -38.865 7.189 1.00 0.00 H ATOM 39 HD2 LYS A 56 7.564 -39.599 6.032 1.00 0.00 H ATOM 40 HD3 LYS A 56 7.463 -37.985 6.774 1.00 0.00 H ATOM 41 HE2 LYS A 56 7.830 -36.978 4.467 1.00 0.00 H ATOM 42 HE3 LYS A 56 6.297 -37.857 4.670 1.00 0.00 H ATOM 43 HZ1 LYS A 56 8.683 -38.849 3.160 1.00 0.00 H ATOM 44 HZ2 LYS A 56 7.218 -39.688 3.353 1.00 0.00 H ATOM 45 HZ3 LYS A 56 7.254 -38.232 2.479 1.00 0.00 H ATOM 46 H LYS A 56 12.494 -37.003 7.432 1.00 0.00 H ATOM 47 N PRO A 57 11.874 -35.665 3.550 1.00 24.14 N ATOM 48 CA PRO A 57 12.287 -34.379 2.975 1.00 21.52 C ATOM 49 C PRO A 57 11.287 -33.347 3.448 1.00 19.31 C ATOM 50 O PRO A 57 10.182 -33.721 3.848 1.00 18.81 O ATOM 51 CB PRO A 57 12.175 -34.589 1.466 1.00 20.62 C ATOM 52 CG PRO A 57 11.264 -35.869 1.321 1.00 23.56 C ATOM 53 CD PRO A 57 11.511 -36.672 2.533 1.00 24.75 C ATOM 54 HA PRO A 57 13.289 -34.052 3.255 1.00 0.00 H ATOM 55 HD3 PRO A 57 10.615 -37.218 2.828 1.00 0.00 H ATOM 56 HD2 PRO A 57 12.328 -37.376 2.374 1.00 0.00 H ATOM 57 HG3 PRO A 57 11.538 -36.432 0.429 1.00 0.00 H ATOM 58 HG2 PRO A 57 10.214 -35.584 1.261 1.00 0.00 H ATOM 59 HB2 PRO A 57 11.710 -33.727 0.989 1.00 0.00 H ATOM 60 HB3 PRO A 57 13.157 -34.761 1.025 1.00 0.00 H ATOM 61 N HIS A 58 11.647 -32.075 3.473 1.00 17.01 N ATOM 62 CA HIS A 58 10.677 -31.053 3.991 1.00 17.08 C ATOM 63 C HIS A 58 9.578 -30.746 2.982 1.00 18.95 C ATOM 64 O HIS A 58 9.878 -30.619 1.784 1.00 21.49 O ATOM 65 CB HIS A 58 11.452 -29.771 4.316 1.00 14.78 C ATOM 66 CG HIS A 58 12.291 -29.917 5.516 1.00 18.10 C ATOM 67 ND1 HIS A 58 11.745 -30.250 6.731 1.00 19.17 N ATOM 68 CD2 HIS A 58 13.622 -29.795 5.718 1.00 16.02 C ATOM 69 CE1 HIS A 58 12.696 -30.262 7.644 1.00 19.45 C ATOM 70 NE2 HIS A 58 13.838 -30.018 7.046 1.00 16.83 N ATOM 71 HA HIS A 58 10.195 -31.453 4.883 1.00 0.00 H ATOM 72 HB2 HIS A 58 12.091 -29.523 3.469 1.00 0.00 H ATOM 73 HB3 HIS A 58 10.740 -28.963 4.482 1.00 0.00 H ATOM 74 HD2 HIS A 58 14.376 -29.563 4.966 1.00 0.00 H ATOM 75 HE1 HIS A 58 12.558 -30.443 8.710 1.00 0.00 H ATOM 76 H HIS A 58 12.589 -31.787 3.139 1.00 0.00 H ATOM 77 N PRO A 59 8.311 -30.577 3.443 1.00 18.40 N ATOM 78 CA PRO A 59 7.242 -30.385 2.457 1.00 18.80 C ATOM 79 C PRO A 59 7.185 -28.956 1.947 1.00 17.92 C ATOM 80 O PRO A 59 6.302 -28.635 1.102 1.00 18.08 O ATOM 81 CB PRO A 59 5.970 -30.677 3.263 1.00 19.29 C ATOM 82 CG PRO A 59 6.327 -30.175 4.684 1.00 21.56 C ATOM 83 CD PRO A 59 7.798 -30.675 4.829 1.00 19.39 C ATOM 84 HA PRO A 59 7.383 -31.016 1.580 1.00 0.00 H ATOM 85 HD3 PRO A 59 8.366 -30.036 5.505 1.00 0.00 H ATOM 86 HD2 PRO A 59 7.831 -31.703 5.189 1.00 0.00 H ATOM 87 HG3 PRO A 59 5.678 -30.620 5.439 1.00 0.00 H ATOM 88 HG2 PRO A 59 6.267 -29.089 4.750 1.00 0.00 H ATOM 89 HB2 PRO A 59 5.117 -30.132 2.859 1.00 0.00 H ATOM 90 HB3 PRO A 59 5.748 -31.744 3.270 1.00 0.00 H ATOM 91 N TRP A 60 8.159 -28.118 2.369 1.00 17.25 N ATOM 92 CA TRP A 60 8.062 -26.665 2.073 1.00 14.19 C ATOM 93 C TRP A 60 9.109 -26.181 1.092 1.00 13.86 C ATOM 94 O TRP A 60 9.114 -25.028 0.751 1.00 12.38 O ATOM 95 CB TRP A 60 8.128 -25.844 3.353 1.00 14.52 C ATOM 96 CG TRP A 60 9.170 -26.232 4.390 1.00 11.66 C ATOM 97 CD1 TRP A 60 8.954 -26.939 5.494 1.00 11.93 C ATOM 98 CD2 TRP A 60 10.582 -25.960 4.357 1.00 12.26 C ATOM 99 NE1 TRP A 60 10.103 -27.114 6.189 1.00 14.52 N ATOM 100 CE2 TRP A 60 11.133 -26.514 5.526 1.00 10.75 C ATOM 101 CE3 TRP A 60 11.420 -25.261 3.479 1.00 12.04 C ATOM 102 CZ2 TRP A 60 12.519 -26.378 5.877 1.00 13.20 C ATOM 103 CZ3 TRP A 60 12.822 -25.153 3.806 1.00 13.94 C ATOM 104 CH2 TRP A 60 13.340 -25.678 4.999 1.00 12.27 C ATOM 105 HA TRP A 60 7.092 -26.521 1.597 1.00 0.00 H ATOM 106 HB2 TRP A 60 8.322 -24.810 3.067 1.00 0.00 H ATOM 107 HB3 TRP A 60 7.151 -25.909 3.833 1.00 0.00 H ATOM 108 HE1 TRP A 60 10.187 -27.627 7.090 1.00 0.00 H ATOM 109 HD1 TRP A 60 7.982 -27.326 5.799 1.00 0.00 H ATOM 110 HZ2 TRP A 60 12.913 -26.808 6.798 1.00 0.00 H ATOM 111 HH2 TRP A 60 14.394 -25.536 5.240 1.00 0.00 H ATOM 112 HZ3 TRP A 60 13.494 -24.652 3.109 1.00 0.00 H ATOM 113 HE3 TRP A 60 11.023 -24.809 2.570 1.00 0.00 H ATOM 114 H TRP A 60 8.973 -28.489 2.899 1.00 0.00 H ATOM 115 N PHE A 61 10.027 -27.056 0.659 1.00 12.89 N ATOM 116 CA PHE A 61 11.039 -26.589 -0.277 1.00 14.01 C ATOM 117 C PHE A 61 10.669 -26.856 -1.710 1.00 13.54 C ATOM 118 O PHE A 61 10.595 -28.013 -2.111 1.00 15.24 O ATOM 119 CB PHE A 61 12.458 -27.211 0.037 1.00 13.98 C ATOM 120 CG PHE A 61 13.520 -26.553 -0.783 1.00 16.76 C ATOM 121 CD1 PHE A 61 14.101 -25.314 -0.345 1.00 15.88 C ATOM 122 CD2 PHE A 61 13.918 -27.105 -2.027 1.00 15.10 C ATOM 123 CE1 PHE A 61 15.047 -24.663 -1.095 1.00 17.86 C ATOM 124 CE2 PHE A 61 14.871 -26.413 -2.822 1.00 17.05 C ATOM 125 CZ PHE A 61 15.446 -25.252 -2.350 1.00 19.23 C ATOM 126 HA PHE A 61 11.092 -25.509 -0.142 1.00 0.00 H ATOM 127 HB2 PHE A 61 12.684 -27.070 1.094 1.00 0.00 H ATOM 128 HB3 PHE A 61 12.439 -28.277 -0.191 1.00 0.00 H ATOM 129 HD2 PHE A 61 13.497 -28.050 -2.370 1.00 0.00 H ATOM 130 HE2 PHE A 61 15.147 -26.799 -3.803 1.00 0.00 H ATOM 131 HZ PHE A 61 16.223 -24.766 -2.941 1.00 0.00 H ATOM 132 HE1 PHE A 61 15.485 -23.726 -0.752 1.00 0.00 H ATOM 133 HD1 PHE A 61 13.783 -24.882 0.604 1.00 0.00 H ATOM 134 H PHE A 61 10.017 -28.044 0.984 1.00 0.00 H ATOM 135 N PHE A 62 10.437 -25.779 -2.470 1.00 12.18 N ATOM 136 CA PHE A 62 9.912 -25.859 -3.864 1.00 12.97 C ATOM 137 C PHE A 62 10.916 -25.527 -4.952 1.00 13.29 C ATOM 138 O PHE A 62 10.570 -25.523 -6.151 1.00 13.99 O ATOM 139 CB PHE A 62 8.616 -25.043 -4.037 1.00 12.83 C ATOM 140 CG PHE A 62 7.364 -25.779 -3.527 1.00 13.96 C ATOM 141 CD1 PHE A 62 7.101 -25.936 -2.138 1.00 15.09 C ATOM 142 CD2 PHE A 62 6.455 -26.266 -4.427 1.00 14.95 C ATOM 143 CE1 PHE A 62 5.957 -26.591 -1.732 1.00 16.62 C ATOM 144 CE2 PHE A 62 5.268 -26.896 -4.007 1.00 20.73 C ATOM 145 CZ PHE A 62 5.052 -27.067 -2.639 1.00 15.89 C ATOM 146 HA PHE A 62 9.684 -26.916 -4.003 1.00 0.00 H ATOM 147 HB2 PHE A 62 8.718 -24.109 -3.485 1.00 0.00 H ATOM 148 HB3 PHE A 62 8.482 -24.825 -5.097 1.00 0.00 H ATOM 149 HD2 PHE A 62 6.655 -26.164 -5.494 1.00 0.00 H ATOM 150 HE2 PHE A 62 4.534 -27.243 -4.734 1.00 0.00 H ATOM 151 HZ PHE A 62 4.157 -27.583 -2.292 1.00 0.00 H ATOM 152 HE1 PHE A 62 5.771 -26.732 -0.667 1.00 0.00 H ATOM 153 HD1 PHE A 62 7.799 -25.541 -1.399 1.00 0.00 H ATOM 154 H PHE A 62 10.632 -24.840 -2.069 1.00 0.00 H ATOM 155 N GLY A 63 12.160 -25.250 -4.578 1.00 12.46 N ATOM 156 CA GLY A 63 13.167 -24.958 -5.615 1.00 13.05 C ATOM 157 C GLY A 63 12.844 -23.681 -6.369 1.00 14.01 C ATOM 158 O GLY A 63 12.304 -22.744 -5.800 1.00 12.84 O ATOM 159 HA3 GLY A 63 13.197 -25.787 -6.322 1.00 0.00 H ATOM 160 HA2 GLY A 63 14.142 -24.851 -5.140 1.00 0.00 H ATOM 161 H GLY A 63 12.419 -25.239 -3.571 1.00 0.00 H ATOM 162 N LYS A 64 13.116 -23.681 -7.669 1.00 15.70 N ATOM 163 CA LYS A 64 12.968 -22.489 -8.489 1.00 18.52 C ATOM 164 C LYS A 64 11.544 -22.378 -9.123 1.00 20.74 C ATOM 165 O LYS A 64 11.369 -22.543 -10.329 1.00 23.53 O ATOM 166 CB LYS A 64 14.005 -22.541 -9.610 1.00 16.32 C ATOM 167 CG LYS A 64 14.178 -21.125 -10.274 1.00 19.31 C ATOM 168 CD LYS A 64 14.912 -21.173 -11.657 1.00 23.69 C ATOM 169 CE LYS A 64 15.435 -19.811 -12.078 1.00 22.84 C ATOM 170 NZ LYS A 64 16.570 -19.985 -13.051 1.00 26.66 N ATOM 171 HA LYS A 64 13.113 -21.619 -7.849 1.00 0.00 H ATOM 172 HB2 LYS A 64 14.962 -22.863 -9.198 1.00 0.00 H ATOM 173 HB3 LYS A 64 13.679 -23.254 -10.367 1.00 0.00 H ATOM 174 HG2 LYS A 64 13.190 -20.689 -10.422 1.00 0.00 H ATOM 175 HG3 LYS A 64 14.755 -20.494 -9.598 1.00 0.00 H ATOM 176 HD2 LYS A 64 15.751 -21.865 -11.585 1.00 0.00 H ATOM 177 HD3 LYS A 64 14.213 -21.530 -12.413 1.00 0.00 H ATOM 178 HE2 LYS A 64 15.789 -19.271 -11.200 1.00 0.00 H ATOM 179 HE3 LYS A 64 14.633 -19.245 -12.553 1.00 0.00 H ATOM 180 HZ1 LYS A 64 17.335 -20.524 -12.597 1.00 0.00 H ATOM 181 HZ2 LYS A 64 16.231 -20.500 -13.889 1.00 0.00 H ATOM 182 HZ3 LYS A 64 16.926 -19.051 -13.337 1.00 0.00 H ATOM 183 H LYS A 64 13.445 -24.561 -8.115 1.00 0.00 H ATOM 184 N ILE A 65 10.523 -22.173 -8.317 1.00 21.26 N ATOM 185 CA ILE A 65 9.233 -21.933 -8.947 1.00 21.15 C ATOM 186 C ILE A 65 9.072 -20.447 -9.059 1.00 21.10 C ATOM 187 O ILE A 65 9.600 -19.702 -8.198 1.00 23.02 O ATOM 188 CB ILE A 65 8.108 -22.568 -8.184 1.00 20.58 C ATOM 189 CG1 ILE A 65 8.052 -22.029 -6.748 1.00 21.17 C ATOM 190 CG2 ILE A 65 8.281 -24.088 -8.213 1.00 22.37 C ATOM 191 CD1 ILE A 65 6.808 -22.407 -6.067 1.00 16.47 C ATOM 192 HA ILE A 65 9.200 -22.393 -9.935 1.00 0.00 H ATOM 193 HB ILE A 65 7.157 -22.316 -8.654 1.00 0.00 H ATOM 194 HG12 ILE A 65 8.896 -22.431 -6.188 1.00 0.00 H ATOM 195 HG13 ILE A 65 8.121 -20.942 -6.777 1.00 0.00 H ATOM 196 HD11 ILE A 65 5.957 -22.003 -6.616 1.00 0.00 H ATOM 197 HD12 ILE A 65 6.733 -23.494 -6.027 1.00 0.00 H ATOM 198 HD13 ILE A 65 6.813 -22.004 -5.054 1.00 0.00 H ATOM 199 HG21 ILE A 65 8.266 -24.434 -9.246 1.00 0.00 H ATOM 200 HG22 ILE A 65 9.233 -24.353 -7.753 1.00 0.00 H ATOM 201 HG23 ILE A 65 7.466 -24.556 -7.660 1.00 0.00 H ATOM 202 H ILE A 65 10.633 -22.182 -7.283 1.00 0.00 H ATOM 203 N PRO A 66 8.386 -19.988 -10.118 1.00 19.72 N ATOM 204 CA PRO A 66 8.126 -18.543 -10.221 1.00 18.44 C ATOM 205 C PRO A 66 7.308 -17.987 -9.052 1.00 16.67 C ATOM 206 O PRO A 66 6.493 -18.721 -8.449 1.00 16.88 O ATOM 207 CB PRO A 66 7.372 -18.394 -11.545 1.00 18.52 C ATOM 208 CG PRO A 66 7.814 -19.627 -12.321 1.00 21.13 C ATOM 209 CD PRO A 66 7.998 -20.707 -11.361 1.00 18.87 C ATOM 210 HA PRO A 66 9.055 -17.973 -10.187 1.00 0.00 H ATOM 211 HD3 PRO A 66 7.073 -21.266 -11.218 1.00 0.00 H ATOM 212 HD2 PRO A 66 8.787 -21.387 -11.683 1.00 0.00 H ATOM 213 HG3 PRO A 66 8.752 -19.425 -12.838 1.00 0.00 H ATOM 214 HG2 PRO A 66 7.051 -19.902 -13.049 1.00 0.00 H ATOM 215 HB2 PRO A 66 6.294 -18.395 -11.386 1.00 0.00 H ATOM 216 HB3 PRO A 66 7.661 -17.479 -12.062 1.00 0.00 H ATOM 217 N ARG A 67 7.578 -16.720 -8.704 1.00 15.74 N ATOM 218 CA ARG A 67 6.827 -16.015 -7.662 1.00 14.41 C ATOM 219 C ARG A 67 5.315 -16.192 -7.960 1.00 13.78 C ATOM 220 O ARG A 67 4.498 -16.419 -7.056 1.00 13.99 O ATOM 221 CB ARG A 67 7.211 -14.562 -7.734 1.00 13.89 C ATOM 222 CG ARG A 67 6.428 -13.672 -6.779 1.00 14.77 C ATOM 223 CD ARG A 67 6.790 -12.193 -7.071 1.00 15.77 C ATOM 224 NE ARG A 67 5.945 -11.235 -6.313 1.00 16.60 N ATOM 225 CZ ARG A 67 6.316 -10.570 -5.211 1.00 17.92 C ATOM 226 NH1 ARG A 67 7.524 -10.734 -4.664 1.00 14.31 N ATOM 227 NH2 ARG A 67 5.465 -9.689 -4.657 1.00 15.94 N ATOM 228 HA ARG A 67 7.044 -16.403 -6.667 1.00 0.00 H ATOM 229 HB2 ARG A 67 8.271 -14.474 -7.495 1.00 0.00 H ATOM 230 HB3 ARG A 67 7.039 -14.211 -8.751 1.00 0.00 H ATOM 231 HG2 ARG A 67 5.359 -13.825 -6.927 1.00 0.00 H ATOM 232 HG3 ARG A 67 6.689 -13.918 -5.750 1.00 0.00 H ATOM 233 HD2 ARG A 67 6.660 -12.006 -8.137 1.00 0.00 H ATOM 234 HD3 ARG A 67 7.833 -12.029 -6.800 1.00 0.00 H ATOM 235 HE ARG A 67 4.982 -11.066 -6.669 1.00 0.00 H ATOM 236 HH12 ARG A 67 7.784 -10.204 -3.808 1.00 0.00 H ATOM 237 HH11 ARG A 67 8.205 -11.392 -5.094 1.00 0.00 H ATOM 238 HH22 ARG A 67 5.741 -9.167 -3.801 1.00 0.00 H ATOM 239 HH21 ARG A 67 4.530 -9.530 -5.084 1.00 0.00 H ATOM 240 H ARG A 67 8.349 -16.220 -9.192 1.00 0.00 H ATOM 241 N ALA A 68 4.937 -16.110 -9.238 1.00 14.87 N ATOM 242 CA ALA A 68 3.496 -16.163 -9.624 1.00 14.17 C ATOM 243 C ALA A 68 2.948 -17.545 -9.404 1.00 15.00 C ATOM 244 O ALA A 68 1.770 -17.721 -9.001 1.00 15.73 O ATOM 245 CB ALA A 68 3.293 -15.726 -11.063 1.00 15.24 C ATOM 246 HA ALA A 68 2.950 -15.466 -8.989 1.00 0.00 H ATOM 247 HB1 ALA A 68 3.647 -14.702 -11.184 1.00 0.00 H ATOM 248 HB2 ALA A 68 3.854 -16.386 -11.724 1.00 0.00 H ATOM 249 HB3 ALA A 68 2.233 -15.777 -11.311 1.00 0.00 H ATOM 250 H ALA A 68 5.660 -16.007 -9.978 1.00 0.00 H ATOM 251 N LYS A 69 3.765 -18.563 -9.634 1.00 14.02 N ATOM 252 CA LYS A 69 3.269 -19.911 -9.419 1.00 15.50 C ATOM 253 C LYS A 69 3.147 -20.269 -7.930 1.00 14.70 C ATOM 254 O LYS A 69 2.260 -21.049 -7.537 1.00 13.91 O ATOM 255 CB LYS A 69 4.183 -20.902 -10.125 1.00 16.60 C ATOM 256 CG LYS A 69 4.120 -20.768 -11.623 1.00 19.79 C ATOM 257 CD LYS A 69 3.010 -21.647 -12.168 1.00 28.81 C ATOM 258 CE LYS A 69 2.854 -22.958 -11.373 1.00 31.89 C ATOM 259 NZ LYS A 69 2.101 -22.821 -10.056 1.00 35.15 N ATOM 260 HA LYS A 69 2.263 -19.962 -9.836 1.00 0.00 H ATOM 261 HB2 LYS A 69 5.209 -20.727 -9.800 1.00 0.00 H ATOM 262 HB3 LYS A 69 3.883 -21.913 -9.850 1.00 0.00 H ATOM 263 HG2 LYS A 69 3.922 -19.729 -11.886 1.00 0.00 H ATOM 264 HG3 LYS A 69 5.072 -21.076 -12.055 1.00 0.00 H ATOM 265 HD2 LYS A 69 2.071 -21.095 -12.121 1.00 0.00 H ATOM 266 HD3 LYS A 69 3.235 -21.892 -13.206 1.00 0.00 H ATOM 267 HE2 LYS A 69 3.850 -23.344 -11.156 1.00 0.00 H ATOM 268 HE3 LYS A 69 2.318 -23.672 -11.998 1.00 0.00 H ATOM 269 HZ1 LYS A 69 2.605 -22.153 -9.438 1.00 0.00 H ATOM 270 HZ2 LYS A 69 1.141 -22.467 -10.242 1.00 0.00 H ATOM 271 HZ3 LYS A 69 2.045 -23.750 -9.592 1.00 0.00 H ATOM 272 H LYS A 69 4.739 -18.400 -9.961 1.00 0.00 H ATOM 273 N ALA A 70 4.070 -19.738 -7.124 1.00 14.23 N ATOM 274 CA ALA A 70 3.924 -19.773 -5.648 1.00 14.70 C ATOM 275 C ALA A 70 2.595 -19.149 -5.226 1.00 14.48 C ATOM 276 O ALA A 70 1.877 -19.733 -4.414 1.00 14.99 O ATOM 277 CB ALA A 70 5.065 -19.088 -4.989 1.00 15.74 C ATOM 278 HA ALA A 70 3.928 -20.815 -5.327 1.00 0.00 H ATOM 279 HB1 ALA A 70 5.994 -19.588 -5.263 1.00 0.00 H ATOM 280 HB2 ALA A 70 5.100 -18.048 -5.315 1.00 0.00 H ATOM 281 HB3 ALA A 70 4.935 -19.127 -3.907 1.00 0.00 H ATOM 282 H ALA A 70 4.911 -19.290 -7.541 1.00 0.00 H ATOM 283 N GLU A 71 2.232 -17.978 -5.798 1.00 13.74 N ATOM 284 CA GLU A 71 0.900 -17.368 -5.497 1.00 14.18 C ATOM 285 C GLU A 71 -0.268 -18.244 -5.942 1.00 15.78 C ATOM 286 O GLU A 71 -1.216 -18.504 -5.168 1.00 16.23 O ATOM 287 CB GLU A 71 0.773 -16.010 -6.145 1.00 15.61 C ATOM 288 CG GLU A 71 1.839 -15.021 -5.581 1.00 17.76 C ATOM 289 CD GLU A 71 1.625 -13.581 -6.015 1.00 25.68 C ATOM 290 OE1 GLU A 71 0.764 -13.336 -6.875 1.00 31.36 O ATOM 291 OE2 GLU A 71 2.290 -12.671 -5.492 1.00 23.85 O ATOM 292 HA GLU A 71 0.851 -17.271 -4.412 1.00 0.00 H ATOM 293 HB2 GLU A 71 0.915 -16.113 -7.221 1.00 0.00 H ATOM 294 HB3 GLU A 71 -0.223 -15.612 -5.948 1.00 0.00 H ATOM 295 HG2 GLU A 71 1.805 -15.061 -4.492 1.00 0.00 H ATOM 296 HG3 GLU A 71 2.822 -15.342 -5.924 1.00 0.00 H ATOM 297 H GLU A 71 2.884 -17.499 -6.452 1.00 0.00 H ATOM 298 N GLU A 72 -0.196 -18.723 -7.175 1.00 15.07 N ATOM 299 CA GLU A 72 -1.169 -19.705 -7.651 1.00 16.84 C ATOM 300 C GLU A 72 -1.370 -20.910 -6.720 1.00 16.55 C ATOM 301 O GLU A 72 -2.526 -21.231 -6.378 1.00 18.44 O ATOM 302 CB GLU A 72 -0.827 -20.216 -9.053 1.00 15.75 C ATOM 303 CG GLU A 72 -1.845 -21.280 -9.524 1.00 16.39 C ATOM 304 CD GLU A 72 -1.416 -22.001 -10.817 1.00 20.82 C ATOM 305 OE1 GLU A 72 -0.496 -21.526 -11.516 1.00 20.10 O ATOM 306 OE2 GLU A 72 -2.004 -23.065 -11.136 1.00 25.41 O ATOM 307 HA GLU A 72 -2.108 -19.152 -7.671 1.00 0.00 H ATOM 308 HB2 GLU A 72 -0.840 -19.378 -9.750 1.00 0.00 H ATOM 309 HB3 GLU A 72 0.169 -20.659 -9.037 1.00 0.00 H ATOM 310 HG2 GLU A 72 -1.960 -22.023 -8.735 1.00 0.00 H ATOM 311 HG3 GLU A 72 -2.802 -20.789 -9.702 1.00 0.00 H ATOM 312 H GLU A 72 0.560 -18.397 -7.811 1.00 0.00 H ATOM 313 N MET A 73 -0.290 -21.540 -6.261 1.00 14.98 N ATOM 314 CA MET A 73 -0.439 -22.722 -5.427 1.00 14.59 C ATOM 315 C MET A 73 -0.914 -22.379 -4.017 1.00 14.77 C ATOM 316 O MET A 73 -1.768 -23.096 -3.452 1.00 13.24 O ATOM 317 CB MET A 73 0.851 -23.512 -5.378 1.00 14.81 C ATOM 318 CG MET A 73 0.726 -24.792 -4.566 1.00 16.55 C ATOM 319 SD MET A 73 1.107 -24.517 -2.824 1.00 21.57 S ATOM 320 CE MET A 73 2.819 -24.170 -3.021 1.00 25.78 C ATOM 321 HA MET A 73 -1.211 -23.340 -5.885 1.00 0.00 H ATOM 322 HB2 MET A 73 1.140 -23.772 -6.396 1.00 0.00 H ATOM 323 HB3 MET A 73 1.625 -22.889 -4.930 1.00 0.00 H ATOM 324 HG2 MET A 73 1.417 -25.534 -4.966 1.00 0.00 H ATOM 325 HG3 MET A 73 -0.294 -25.166 -4.650 1.00 0.00 H ATOM 326 HE1 MET A 73 3.313 -25.030 -3.474 1.00 0.00 H ATOM 327 HE2 MET A 73 2.940 -23.299 -3.665 1.00 0.00 H ATOM 328 HE3 MET A 73 3.262 -23.967 -2.046 1.00 0.00 H ATOM 329 H MET A 73 0.659 -21.187 -6.499 1.00 0.00 H ATOM 330 N LEU A 74 -0.366 -21.306 -3.445 1.00 14.29 N ATOM 331 CA LEU A 74 -0.760 -20.920 -2.070 1.00 15.94 C ATOM 332 C LEU A 74 -2.180 -20.386 -1.971 1.00 17.10 C ATOM 333 O LEU A 74 -2.846 -20.538 -0.940 1.00 16.83 O ATOM 334 CB LEU A 74 0.301 -19.999 -1.452 1.00 16.13 C ATOM 335 CG LEU A 74 1.607 -20.709 -1.103 1.00 14.22 C ATOM 336 CD1 LEU A 74 2.667 -19.631 -0.720 1.00 17.68 C ATOM 337 CD2 LEU A 74 1.552 -21.865 -0.015 1.00 15.35 C ATOM 338 HA LEU A 74 -0.790 -21.827 -1.466 1.00 0.00 H ATOM 339 HB2 LEU A 74 0.522 -19.203 -2.163 1.00 0.00 H ATOM 340 HB3 LEU A 74 -0.109 -19.566 -0.540 1.00 0.00 H ATOM 341 HG LEU A 74 1.877 -21.259 -2.004 1.00 0.00 H ATOM 342 HD21 LEU A 74 1.186 -21.458 0.928 1.00 0.00 H ATOM 343 HD22 LEU A 74 0.880 -22.652 -0.357 1.00 0.00 H ATOM 344 HD23 LEU A 74 2.552 -22.275 0.128 1.00 0.00 H ATOM 345 HD11 LEU A 74 2.821 -18.959 -1.564 1.00 0.00 H ATOM 346 HD12 LEU A 74 2.311 -19.062 0.139 1.00 0.00 H ATOM 347 HD13 LEU A 74 3.607 -20.121 -0.468 1.00 0.00 H ATOM 348 H LEU A 74 0.337 -20.741 -3.963 1.00 0.00 H ATOM 349 N SER A 75 -2.648 -19.778 -3.052 1.00 16.87 N ATOM 350 CA SER A 75 -4.003 -19.271 -3.053 1.00 17.68 C ATOM 351 C SER A 75 -5.016 -20.391 -2.754 1.00 17.61 C ATOM 352 O SER A 75 -6.003 -20.115 -2.075 1.00 18.37 O ATOM 353 CB SER A 75 -4.340 -18.501 -4.334 1.00 18.20 C ATOM 354 OG SER A 75 -3.569 -17.294 -4.403 1.00 16.58 O ATOM 355 HA SER A 75 -4.077 -18.545 -2.244 1.00 0.00 H ATOM 356 HB2 SER A 75 -5.401 -18.252 -4.336 1.00 0.00 H ATOM 357 HB3 SER A 75 -4.113 -19.124 -5.199 1.00 0.00 H ATOM 358 HG SER A 75 -2.605 -17.519 -4.404 1.00 0.00 H ATOM 359 H SER A 75 -2.046 -19.666 -3.893 1.00 0.00 H ATOM 360 N LYS A 76 -4.735 -21.626 -3.203 1.00 17.23 N ATOM 361 CA LYS A 76 -5.643 -22.771 -3.031 1.00 17.65 C ATOM 362 C LYS A 76 -5.559 -23.406 -1.665 1.00 16.83 C ATOM 363 O LYS A 76 -6.355 -24.279 -1.352 1.00 18.34 O ATOM 364 CB LYS A 76 -5.367 -23.840 -4.063 1.00 15.41 C ATOM 365 CG LYS A 76 -5.574 -23.252 -5.501 1.00 18.29 C ATOM 366 CD LYS A 76 -5.461 -24.366 -6.501 1.00 22.48 C ATOM 367 CE LYS A 76 -4.035 -24.778 -6.580 1.00 28.75 C ATOM 368 NZ LYS A 76 -3.739 -25.202 -7.987 1.00 31.74 N ATOM 369 HA LYS A 76 -6.645 -22.361 -3.155 1.00 0.00 H ATOM 370 HB2 LYS A 76 -4.340 -24.189 -3.958 1.00 0.00 H ATOM 371 HB3 LYS A 76 -6.050 -24.676 -3.911 1.00 0.00 H ATOM 372 HG2 LYS A 76 -6.561 -22.795 -5.571 1.00 0.00 H ATOM 373 HG3 LYS A 76 -4.811 -22.500 -5.703 1.00 0.00 H ATOM 374 HD2 LYS A 76 -6.072 -25.211 -6.183 1.00 0.00 H ATOM 375 HD3 LYS A 76 -5.800 -24.021 -7.478 1.00 0.00 H ATOM 376 HE2 LYS A 76 -3.854 -25.610 -5.899 1.00 0.00 H ATOM 377 HE3 LYS A 76 -3.394 -23.940 -6.306 1.00 0.00 H ATOM 378 HZ1 LYS A 76 -4.354 -26.000 -8.244 1.00 0.00 H ATOM 379 HZ2 LYS A 76 -3.915 -24.405 -8.632 1.00 0.00 H ATOM 380 HZ3 LYS A 76 -2.743 -25.493 -8.058 1.00 0.00 H ATOM 381 H LYS A 76 -3.832 -21.780 -3.696 1.00 0.00 H ATOM 382 N GLN A 77 -4.611 -22.970 -0.856 1.00 15.82 N ATOM 383 CA GLN A 77 -4.528 -23.474 0.520 1.00 14.44 C ATOM 384 C GLN A 77 -5.615 -22.825 1.362 1.00 15.96 C ATOM 385 O GLN A 77 -5.949 -21.678 1.185 1.00 16.54 O ATOM 386 CB GLN A 77 -3.126 -23.213 1.113 1.00 13.36 C ATOM 387 CG GLN A 77 -2.054 -23.927 0.359 1.00 11.86 C ATOM 388 CD GLN A 77 -2.064 -25.376 0.694 1.00 19.28 C ATOM 389 OE1 GLN A 77 -1.987 -25.740 1.861 1.00 20.59 O ATOM 390 NE2 GLN A 77 -2.249 -26.221 -0.305 1.00 18.49 N ATOM 391 HA GLN A 77 -4.685 -24.553 0.520 1.00 0.00 H ATOM 392 HB2 GLN A 77 -2.925 -22.142 1.081 1.00 0.00 H ATOM 393 HB3 GLN A 77 -3.113 -23.553 2.149 1.00 0.00 H ATOM 394 HG2 GLN A 77 -2.223 -23.804 -0.711 1.00 0.00 H ATOM 395 HG3 GLN A 77 -1.085 -23.503 0.623 1.00 0.00 H ATOM 396 HE22 GLN A 77 -2.308 -25.867 -1.281 1.00 0.00 H ATOM 397 HE21 GLN A 77 -2.335 -27.240 -0.115 1.00 0.00 H ATOM 398 H GLN A 77 -3.922 -22.268 -1.194 1.00 0.00 H ATOM 399 N ARG A 78 -6.209 -23.589 2.290 1.00 16.28 N ATOM 400 CA ARG A 78 -7.255 -23.036 3.137 1.00 15.40 C ATOM 401 C ARG A 78 -6.765 -22.249 4.326 1.00 16.24 C ATOM 402 O ARG A 78 -7.518 -21.410 4.873 1.00 18.09 O ATOM 403 CB ARG A 78 -8.095 -24.178 3.679 1.00 15.72 C ATOM 404 CG ARG A 78 -8.995 -24.787 2.576 1.00 15.79 C ATOM 405 CD ARG A 78 -9.672 -26.090 3.133 1.00 16.24 C ATOM 406 NE ARG A 78 -10.921 -26.366 2.398 1.00 16.81 N ATOM 407 CZ ARG A 78 -11.783 -27.348 2.726 1.00 20.94 C ATOM 408 NH1 ARG A 78 -11.529 -28.136 3.776 1.00 17.54 N ATOM 409 NH2 ARG A 78 -12.916 -27.520 2.025 1.00 15.86 N ATOM 410 HA ARG A 78 -7.809 -22.346 2.500 1.00 0.00 H ATOM 411 HB2 ARG A 78 -7.434 -24.953 4.066 1.00 0.00 H ATOM 412 HB3 ARG A 78 -8.725 -23.804 4.486 1.00 0.00 H ATOM 413 HG2 ARG A 78 -9.763 -24.068 2.292 1.00 0.00 H ATOM 414 HG3 ARG A 78 -8.389 -25.033 1.704 1.00 0.00 H ATOM 415 HD2 ARG A 78 -9.898 -25.955 4.191 1.00 0.00 H ATOM 416 HD3 ARG A 78 -8.989 -26.931 3.013 1.00 0.00 H ATOM 417 HE ARG A 78 -11.149 -25.767 1.579 1.00 0.00 H ATOM 418 HH12 ARG A 78 -12.194 -28.894 4.030 1.00 0.00 H ATOM 419 HH11 ARG A 78 -10.667 -27.991 4.339 1.00 0.00 H ATOM 420 HH22 ARG A 78 -13.577 -28.280 2.284 1.00 0.00 H ATOM 421 HH21 ARG A 78 -13.132 -26.893 1.224 1.00 0.00 H ATOM 422 H ARG A 78 -5.921 -24.582 2.405 1.00 0.00 H ATOM 423 N HIS A 79 -5.571 -22.565 4.819 1.00 15.58 N ATOM 424 CA HIS A 79 -5.185 -22.100 6.134 1.00 15.86 C ATOM 425 C HIS A 79 -4.092 -21.045 6.099 1.00 15.18 C ATOM 426 O HIS A 79 -3.039 -21.245 5.490 1.00 16.87 O ATOM 427 CB HIS A 79 -4.787 -23.279 6.984 1.00 15.85 C ATOM 428 CG HIS A 79 -5.907 -24.254 7.143 1.00 17.48 C ATOM 429 ND1 HIS A 79 -7.060 -23.926 7.808 1.00 20.27 N ATOM 430 CD2 HIS A 79 -6.099 -25.489 6.632 1.00 21.72 C ATOM 431 CE1 HIS A 79 -7.915 -24.934 7.741 1.00 21.95 C ATOM 432 NE2 HIS A 79 -7.354 -25.896 7.029 1.00 23.46 N ATOM 433 HA HIS A 79 -6.050 -21.606 6.577 1.00 0.00 H ATOM 434 HB2 HIS A 79 -3.944 -23.784 6.514 1.00 0.00 H ATOM 435 HB3 HIS A 79 -4.490 -22.919 7.969 1.00 0.00 H ATOM 436 HD2 HIS A 79 -5.396 -26.056 6.022 1.00 0.00 H ATOM 437 HE1 HIS A 79 -8.906 -24.965 8.193 1.00 0.00 H ATOM 438 H HIS A 79 -4.915 -23.146 4.260 1.00 0.00 H ATOM 439 N ASP A 80 -4.339 -19.936 6.778 1.00 15.13 N ATOM 440 CA ASP A 80 -3.315 -18.859 6.856 1.00 14.12 C ATOM 441 C ASP A 80 -2.037 -19.365 7.449 1.00 12.47 C ATOM 442 O ASP A 80 -2.047 -20.141 8.457 1.00 13.14 O ATOM 443 CB ASP A 80 -3.867 -17.702 7.727 1.00 14.82 C ATOM 444 CG ASP A 80 -5.022 -16.952 7.034 1.00 17.33 C ATOM 445 OD1 ASP A 80 -5.701 -16.237 7.740 1.00 19.91 O ATOM 446 OD2 ASP A 80 -5.255 -17.075 5.811 1.00 17.75 O ATOM 447 HA ASP A 80 -3.103 -18.508 5.846 1.00 0.00 H ATOM 448 HB2 ASP A 80 -4.230 -18.113 8.669 1.00 0.00 H ATOM 449 HB3 ASP A 80 -3.060 -16.997 7.927 1.00 0.00 H ATOM 450 H ASP A 80 -5.253 -19.817 7.259 1.00 0.00 H ATOM 451 N GLY A 81 -0.926 -18.870 6.911 1.00 12.23 N ATOM 452 CA GLY A 81 0.388 -19.390 7.325 1.00 12.96 C ATOM 453 C GLY A 81 0.941 -20.549 6.460 1.00 13.93 C ATOM 454 O GLY A 81 2.130 -20.867 6.527 1.00 12.60 O ATOM 455 HA3 GLY A 81 0.302 -19.746 8.351 1.00 0.00 H ATOM 456 HA2 GLY A 81 1.104 -18.569 7.286 1.00 0.00 H ATOM 457 H GLY A 81 -0.985 -18.115 6.198 1.00 0.00 H ATOM 458 N ALA A 82 0.103 -21.163 5.617 1.00 13.68 N ATOM 459 CA ALA A 82 0.590 -22.213 4.693 1.00 13.12 C ATOM 460 C ALA A 82 1.655 -21.537 3.852 1.00 12.38 C ATOM 461 O ALA A 82 1.460 -20.400 3.402 1.00 13.82 O ATOM 462 CB ALA A 82 -0.581 -22.747 3.791 1.00 13.31 C ATOM 463 HA ALA A 82 0.984 -23.077 5.228 1.00 0.00 H ATOM 464 HB1 ALA A 82 -1.362 -23.169 4.424 1.00 0.00 H ATOM 465 HB2 ALA A 82 -0.991 -21.924 3.205 1.00 0.00 H ATOM 466 HB3 ALA A 82 -0.199 -23.517 3.121 1.00 0.00 H ATOM 467 H ALA A 82 -0.903 -20.900 5.610 1.00 0.00 H ATOM 468 N PHE A 83 2.785 -22.190 3.616 1.00 12.11 N ATOM 469 CA PHE A 83 3.960 -21.482 3.049 1.00 11.55 C ATOM 470 C PHE A 83 4.877 -22.402 2.263 1.00 12.25 C ATOM 471 O PHE A 83 4.800 -23.676 2.351 1.00 12.16 O ATOM 472 CB PHE A 83 4.833 -20.886 4.200 1.00 10.68 C ATOM 473 CG PHE A 83 5.654 -21.926 4.929 1.00 13.12 C ATOM 474 CD1 PHE A 83 7.014 -22.109 4.633 1.00 12.62 C ATOM 475 CD2 PHE A 83 5.058 -22.774 5.884 1.00 12.61 C ATOM 476 CE1 PHE A 83 7.761 -23.095 5.307 1.00 11.26 C ATOM 477 CE2 PHE A 83 5.780 -23.762 6.550 1.00 13.30 C ATOM 478 CZ PHE A 83 7.155 -23.933 6.277 1.00 13.40 C ATOM 479 HA PHE A 83 3.554 -20.714 2.391 1.00 0.00 H ATOM 480 HB2 PHE A 83 5.511 -20.147 3.773 1.00 0.00 H ATOM 481 HB3 PHE A 83 4.173 -20.400 4.919 1.00 0.00 H ATOM 482 HD2 PHE A 83 3.998 -22.653 6.109 1.00 0.00 H ATOM 483 HE2 PHE A 83 5.285 -24.402 7.280 1.00 0.00 H ATOM 484 HZ PHE A 83 7.737 -24.692 6.800 1.00 0.00 H ATOM 485 HE1 PHE A 83 8.820 -23.215 5.080 1.00 0.00 H ATOM 486 HD1 PHE A 83 7.494 -21.486 3.879 1.00 0.00 H ATOM 487 H PHE A 83 2.848 -23.206 3.830 1.00 0.00 H ATOM 488 N LEU A 84 5.766 -21.742 1.508 1.00 11.27 N ATOM 489 CA LEU A 84 6.870 -22.427 0.869 1.00 11.12 C ATOM 490 C LEU A 84 8.134 -21.531 0.837 1.00 11.21 C ATOM 491 O LEU A 84 8.007 -20.291 0.904 1.00 11.25 O ATOM 492 CB LEU A 84 6.483 -22.843 -0.542 1.00 12.04 C ATOM 493 CG LEU A 84 6.032 -21.712 -1.478 1.00 11.67 C ATOM 494 CD1 LEU A 84 7.211 -21.192 -2.304 1.00 11.69 C ATOM 495 CD2 LEU A 84 5.027 -22.301 -2.437 1.00 16.11 C ATOM 496 HA LEU A 84 7.101 -23.319 1.451 1.00 0.00 H ATOM 497 HB2 LEU A 84 7.348 -23.327 -0.996 1.00 0.00 H ATOM 498 HB3 LEU A 84 5.665 -23.560 -0.466 1.00 0.00 H ATOM 499 HG LEU A 84 5.618 -20.893 -0.889 1.00 0.00 H ATOM 500 HD21 LEU A 84 5.496 -23.105 -3.004 1.00 0.00 H ATOM 501 HD22 LEU A 84 4.180 -22.696 -1.876 1.00 0.00 H ATOM 502 HD23 LEU A 84 4.682 -21.526 -3.121 1.00 0.00 H ATOM 503 HD11 LEU A 84 7.982 -20.810 -1.634 1.00 0.00 H ATOM 504 HD12 LEU A 84 7.619 -22.005 -2.904 1.00 0.00 H ATOM 505 HD13 LEU A 84 6.869 -20.392 -2.960 1.00 0.00 H ATOM 506 H LEU A 84 5.661 -20.716 1.378 1.00 0.00 H ATOM 507 N ILE A 85 9.300 -22.164 0.724 1.00 11.43 N ATOM 508 CA ILE A 85 10.546 -21.491 0.411 1.00 11.00 C ATOM 509 C ILE A 85 10.800 -21.767 -1.059 1.00 10.99 C ATOM 510 O ILE A 85 10.682 -22.897 -1.514 1.00 12.70 O ATOM 511 CB ILE A 85 11.689 -22.073 1.257 1.00 11.47 C ATOM 512 CG1 ILE A 85 11.516 -21.651 2.722 1.00 12.80 C ATOM 513 CG2 ILE A 85 13.078 -21.536 0.770 1.00 11.19 C ATOM 514 CD1 ILE A 85 11.864 -20.178 3.014 1.00 14.72 C ATOM 515 HA ILE A 85 10.492 -20.423 0.622 1.00 0.00 H ATOM 516 HB ILE A 85 11.656 -23.158 1.155 1.00 0.00 H ATOM 517 HG12 ILE A 85 10.476 -21.816 3.003 1.00 0.00 H ATOM 518 HG13 ILE A 85 12.161 -22.280 3.335 1.00 0.00 H ATOM 519 HD11 ILE A 85 12.906 -19.994 2.754 1.00 0.00 H ATOM 520 HD12 ILE A 85 11.220 -19.529 2.421 1.00 0.00 H ATOM 521 HD13 ILE A 85 11.711 -19.973 4.074 1.00 0.00 H ATOM 522 HG21 ILE A 85 13.232 -21.822 -0.271 1.00 0.00 H ATOM 523 HG22 ILE A 85 13.097 -20.450 0.856 1.00 0.00 H ATOM 524 HG23 ILE A 85 13.868 -21.964 1.387 1.00 0.00 H ATOM 525 H ILE A 85 9.318 -23.194 0.868 1.00 0.00 H ATOM 526 N ARG A 86 11.183 -20.736 -1.809 1.00 11.61 N ATOM 527 CA ARG A 86 11.555 -20.908 -3.214 1.00 10.80 C ATOM 528 C ARG A 86 12.864 -20.179 -3.432 1.00 12.45 C ATOM 529 O ARG A 86 13.315 -19.358 -2.573 1.00 11.02 O ATOM 530 CB ARG A 86 10.493 -20.351 -4.137 1.00 8.78 C ATOM 531 CG ARG A 86 10.098 -18.820 -3.835 1.00 8.47 C ATOM 532 CD ARG A 86 8.885 -18.447 -4.676 1.00 8.57 C ATOM 533 NE ARG A 86 8.421 -17.117 -4.233 1.00 11.16 N ATOM 534 CZ ARG A 86 8.995 -15.961 -4.559 1.00 12.73 C ATOM 535 NH1 ARG A 86 9.989 -15.934 -5.461 1.00 14.92 N ATOM 536 NH2 ARG A 86 8.549 -14.803 -4.048 1.00 10.78 N ATOM 537 HA ARG A 86 11.655 -21.970 -3.440 1.00 0.00 H ATOM 538 HB2 ARG A 86 10.861 -20.414 -5.161 1.00 0.00 H ATOM 539 HB3 ARG A 86 9.596 -20.963 -4.036 1.00 0.00 H ATOM 540 HG2 ARG A 86 9.859 -18.705 -2.778 1.00 0.00 H ATOM 541 HG3 ARG A 86 10.934 -18.169 -4.090 1.00 0.00 H ATOM 542 HD2 ARG A 86 8.094 -19.183 -4.533 1.00 0.00 H ATOM 543 HD3 ARG A 86 9.161 -18.412 -5.730 1.00 0.00 H ATOM 544 HE ARG A 86 7.582 -17.081 -3.620 1.00 0.00 H ATOM 545 HH12 ARG A 86 10.437 -15.030 -5.715 1.00 0.00 H ATOM 546 HH11 ARG A 86 10.311 -16.817 -5.906 1.00 0.00 H ATOM 547 HH22 ARG A 86 9.007 -13.907 -4.312 1.00 0.00 H ATOM 548 HH21 ARG A 86 7.745 -14.801 -3.388 1.00 0.00 H ATOM 549 H ARG A 86 11.219 -19.786 -1.387 1.00 0.00 H ATOM 550 N GLU A 87 13.478 -20.482 -4.567 1.00 12.26 N ATOM 551 CA GLU A 87 14.743 -19.823 -4.974 1.00 13.11 C ATOM 552 C GLU A 87 14.338 -18.721 -5.918 1.00 13.30 C ATOM 553 O GLU A 87 13.689 -18.987 -6.969 1.00 13.32 O ATOM 554 CB GLU A 87 15.625 -20.876 -5.670 1.00 13.29 C ATOM 555 CG GLU A 87 15.886 -22.061 -4.721 1.00 12.25 C ATOM 556 CD GLU A 87 16.934 -22.959 -5.237 1.00 15.15 C ATOM 557 OE1 GLU A 87 18.111 -22.551 -5.148 1.00 13.32 O ATOM 558 OE2 GLU A 87 16.598 -24.028 -5.794 1.00 14.00 O ATOM 559 HA GLU A 87 15.312 -19.412 -4.140 1.00 0.00 H ATOM 560 HB2 GLU A 87 15.118 -21.236 -6.565 1.00 0.00 H ATOM 561 HB3 GLU A 87 16.576 -20.422 -5.950 1.00 0.00 H ATOM 562 HG2 GLU A 87 16.200 -21.674 -3.752 1.00 0.00 H ATOM 563 HG3 GLU A 87 14.963 -22.628 -4.603 1.00 0.00 H ATOM 564 H GLU A 87 13.061 -21.203 -5.190 1.00 0.00 H ATOM 565 N SER A 88 14.669 -17.493 -5.538 1.00 12.75 N ATOM 566 CA SER A 88 14.164 -16.310 -6.235 1.00 12.60 C ATOM 567 C SER A 88 14.650 -16.297 -7.699 1.00 13.23 C ATOM 568 O SER A 88 15.768 -16.746 -8.010 1.00 13.08 O ATOM 569 CB SER A 88 14.639 -15.019 -5.552 1.00 13.88 C ATOM 570 OG SER A 88 14.298 -13.910 -6.377 1.00 14.27 O ATOM 571 HA SER A 88 13.075 -16.355 -6.204 1.00 0.00 H ATOM 572 HB2 SER A 88 15.720 -15.054 -5.413 1.00 0.00 H ATOM 573 HB3 SER A 88 14.153 -14.917 -4.582 1.00 0.00 H ATOM 574 HG SER A 88 13.316 -13.882 -6.501 1.00 0.00 H ATOM 575 H SER A 88 15.304 -17.369 -4.724 1.00 0.00 H ATOM 576 N GLU A 89 13.789 -15.844 -8.589 1.00 13.80 N ATOM 577 CA GLU A 89 14.227 -15.740 -9.978 1.00 15.57 C ATOM 578 C GLU A 89 14.748 -14.328 -10.231 1.00 16.94 C ATOM 579 O GLU A 89 15.629 -14.130 -11.105 1.00 17.72 O ATOM 580 CB GLU A 89 13.074 -16.050 -10.910 1.00 16.53 C ATOM 581 CG GLU A 89 12.567 -17.476 -10.759 1.00 13.43 C ATOM 582 CD GLU A 89 11.642 -17.775 -11.919 1.00 23.00 C ATOM 583 OE1 GLU A 89 11.941 -18.676 -12.698 1.00 21.44 O ATOM 584 OE2 GLU A 89 10.627 -17.073 -12.069 1.00 20.44 O ATOM 585 HA GLU A 89 15.024 -16.459 -10.166 1.00 0.00 H ATOM 586 HB2 GLU A 89 12.256 -15.363 -10.694 1.00 0.00 H ATOM 587 HB3 GLU A 89 13.407 -15.904 -11.938 1.00 0.00 H ATOM 588 HG2 GLU A 89 13.408 -18.170 -10.769 1.00 0.00 H ATOM 589 HG3 GLU A 89 12.025 -17.577 -9.819 1.00 0.00 H ATOM 590 H GLU A 89 12.826 -15.569 -8.310 1.00 0.00 H ATOM 591 N SER A 90 14.208 -13.355 -9.517 1.00 17.46 N ATOM 592 CA SER A 90 14.652 -11.943 -9.698 1.00 18.94 C ATOM 593 C SER A 90 16.004 -11.663 -8.989 1.00 19.58 C ATOM 594 O SER A 90 16.767 -10.762 -9.387 1.00 18.57 O ATOM 595 CB SER A 90 13.558 -10.971 -9.236 1.00 18.97 C ATOM 596 OG SER A 90 13.445 -11.057 -7.829 1.00 20.27 O ATOM 597 HA SER A 90 14.821 -11.782 -10.763 1.00 0.00 H ATOM 598 HB2 SER A 90 12.608 -11.240 -9.698 1.00 0.00 H ATOM 599 HB3 SER A 90 13.825 -9.954 -9.522 1.00 0.00 H ATOM 600 HG SER A 90 13.204 -11.983 -7.574 1.00 0.00 H ATOM 601 H SER A 90 13.466 -13.577 -8.822 1.00 0.00 H ATOM 602 N ALA A 91 16.323 -12.451 -7.969 1.00 18.77 N ATOM 603 CA ALA A 91 17.621 -12.349 -7.290 1.00 18.57 C ATOM 604 C ALA A 91 18.214 -13.735 -7.194 1.00 17.92 C ATOM 605 O ALA A 91 18.137 -14.365 -6.110 1.00 16.10 O ATOM 606 CB ALA A 91 17.432 -11.788 -5.909 1.00 17.89 C ATOM 607 HA ALA A 91 18.284 -11.689 -7.849 1.00 0.00 H ATOM 608 HB1 ALA A 91 16.983 -10.797 -5.979 1.00 0.00 H ATOM 609 HB2 ALA A 91 16.777 -12.446 -5.338 1.00 0.00 H ATOM 610 HB3 ALA A 91 18.399 -11.716 -5.412 1.00 0.00 H ATOM 611 H ALA A 91 15.635 -13.159 -7.642 1.00 0.00 H ATOM 612 N PRO A 92 18.833 -14.254 -8.302 1.00 18.73 N ATOM 613 CA PRO A 92 19.379 -15.634 -8.234 1.00 19.42 C ATOM 614 C PRO A 92 20.401 -15.854 -7.120 1.00 19.45 C ATOM 615 O PRO A 92 21.269 -15.010 -6.888 1.00 19.75 O ATOM 616 CB PRO A 92 20.082 -15.817 -9.595 1.00 19.38 C ATOM 617 CG PRO A 92 19.459 -14.856 -10.485 1.00 20.48 C ATOM 618 CD PRO A 92 19.014 -13.668 -9.666 1.00 19.04 C ATOM 619 HA PRO A 92 18.576 -16.340 -8.023 1.00 0.00 H ATOM 620 HD3 PRO A 92 19.775 -12.888 -9.660 1.00 0.00 H ATOM 621 HD2 PRO A 92 18.078 -13.258 -10.045 1.00 0.00 H ATOM 622 HG3 PRO A 92 18.597 -15.311 -10.973 1.00 0.00 H ATOM 623 HG2 PRO A 92 20.176 -14.535 -11.241 1.00 0.00 H ATOM 624 HB2 PRO A 92 21.149 -15.615 -9.503 1.00 0.00 H ATOM 625 HB3 PRO A 92 19.936 -16.831 -9.966 1.00 0.00 H ATOM 626 N GLY A 93 20.260 -16.952 -6.395 1.00 16.84 N ATOM 627 CA GLY A 93 21.142 -17.211 -5.302 1.00 17.37 C ATOM 628 C GLY A 93 20.513 -16.797 -3.998 1.00 16.55 C ATOM 629 O GLY A 93 21.039 -17.140 -2.947 1.00 17.65 O ATOM 630 HA3 GLY A 93 22.066 -16.651 -5.447 1.00 0.00 H ATOM 631 HA2 GLY A 93 21.366 -18.277 -5.268 1.00 0.00 H ATOM 632 H GLY A 93 19.504 -17.629 -6.622 1.00 0.00 H ATOM 633 N ASP A 94 19.375 -16.078 -4.039 1.00 14.35 N ATOM 634 CA ASP A 94 18.676 -15.749 -2.794 1.00 13.51 C ATOM 635 C ASP A 94 17.353 -16.535 -2.712 1.00 13.14 C ATOM 636 O ASP A 94 16.750 -16.912 -3.740 1.00 12.96 O ATOM 637 CB ASP A 94 18.270 -14.242 -2.734 1.00 14.57 C ATOM 638 CG ASP A 94 19.441 -13.302 -2.359 1.00 20.81 C ATOM 639 OD1 ASP A 94 20.618 -13.678 -2.477 1.00 26.75 O ATOM 640 OD2 ASP A 94 19.166 -12.213 -1.911 1.00 23.20 O ATOM 641 HA ASP A 94 19.362 -15.995 -1.983 1.00 0.00 H ATOM 642 HB2 ASP A 94 17.890 -13.947 -3.712 1.00 0.00 H ATOM 643 HB3 ASP A 94 17.482 -14.126 -1.990 1.00 0.00 H ATOM 644 H ASP A 94 18.993 -15.757 -4.952 1.00 0.00 H ATOM 645 N PHE A 95 16.901 -16.730 -1.481 1.00 12.03 N ATOM 646 CA PHE A 95 15.638 -17.414 -1.254 1.00 11.64 C ATOM 647 C PHE A 95 14.537 -16.410 -0.934 1.00 10.76 C ATOM 648 O PHE A 95 14.817 -15.303 -0.406 1.00 12.03 O ATOM 649 CB PHE A 95 15.790 -18.410 -0.096 1.00 11.10 C ATOM 650 CG PHE A 95 16.814 -19.455 -0.374 1.00 11.63 C ATOM 651 CD1 PHE A 95 18.153 -19.282 0.080 1.00 14.25 C ATOM 652 CD2 PHE A 95 16.492 -20.585 -1.136 1.00 12.96 C ATOM 653 CE1 PHE A 95 19.124 -20.224 -0.268 1.00 13.28 C ATOM 654 CE2 PHE A 95 17.493 -21.558 -1.470 1.00 15.13 C ATOM 655 CZ PHE A 95 18.780 -21.364 -1.026 1.00 9.67 C ATOM 656 HA PHE A 95 15.363 -17.953 -2.161 1.00 0.00 H ATOM 657 HB2 PHE A 95 16.083 -17.863 0.800 1.00 0.00 H ATOM 658 HB3 PHE A 95 14.830 -18.897 0.075 1.00 0.00 H ATOM 659 HD2 PHE A 95 15.468 -20.728 -1.480 1.00 0.00 H ATOM 660 HE2 PHE A 95 17.238 -22.435 -2.065 1.00 0.00 H ATOM 661 HZ PHE A 95 19.546 -22.102 -1.263 1.00 0.00 H ATOM 662 HE1 PHE A 95 20.157 -20.077 0.049 1.00 0.00 H ATOM 663 HD1 PHE A 95 18.418 -18.421 0.694 1.00 0.00 H ATOM 664 H PHE A 95 17.455 -16.390 -0.669 1.00 0.00 H ATOM 665 N SER A 96 13.297 -16.820 -1.181 1.00 11.40 N ATOM 666 CA SER A 96 12.132 -16.061 -0.770 1.00 11.02 C ATOM 667 C SER A 96 11.154 -16.999 -0.072 1.00 11.61 C ATOM 668 O SER A 96 11.068 -18.191 -0.398 1.00 12.65 O ATOM 669 CB SER A 96 11.475 -15.438 -2.009 1.00 9.29 C ATOM 670 OG SER A 96 12.372 -14.549 -2.688 1.00 13.26 O ATOM 671 HA SER A 96 12.421 -15.266 -0.083 1.00 0.00 H ATOM 672 HB2 SER A 96 10.591 -14.881 -1.699 1.00 0.00 H ATOM 673 HB3 SER A 96 11.180 -16.234 -2.692 1.00 0.00 H ATOM 674 HG SER A 96 11.918 -14.166 -3.480 1.00 0.00 H ATOM 675 H SER A 96 13.157 -17.718 -1.687 1.00 0.00 H ATOM 676 N LEU A 97 10.415 -16.425 0.856 1.00 10.51 N ATOM 677 CA LEU A 97 9.442 -17.138 1.663 1.00 10.09 C ATOM 678 C LEU A 97 8.052 -16.627 1.246 1.00 11.37 C ATOM 679 O LEU A 97 7.786 -15.410 1.236 1.00 12.98 O ATOM 680 CB LEU A 97 9.717 -16.873 3.152 1.00 9.80 C ATOM 681 CG LEU A 97 8.583 -17.289 4.082 1.00 11.18 C ATOM 682 CD1 LEU A 97 8.365 -18.777 4.106 1.00 13.50 C ATOM 683 CD2 LEU A 97 8.970 -16.798 5.522 1.00 12.74 C ATOM 684 HA LEU A 97 9.501 -18.216 1.510 1.00 0.00 H ATOM 685 HB2 LEU A 97 10.613 -17.424 3.438 1.00 0.00 H ATOM 686 HB3 LEU A 97 9.892 -15.805 3.283 1.00 0.00 H ATOM 687 HG LEU A 97 7.653 -16.845 3.727 1.00 0.00 H ATOM 688 HD21 LEU A 97 9.908 -17.264 5.824 1.00 0.00 H ATOM 689 HD22 LEU A 97 9.087 -15.714 5.516 1.00 0.00 H ATOM 690 HD23 LEU A 97 8.183 -17.076 6.223 1.00 0.00 H ATOM 691 HD11 LEU A 97 8.117 -19.123 3.102 1.00 0.00 H ATOM 692 HD12 LEU A 97 9.275 -19.271 4.448 1.00 0.00 H ATOM 693 HD13 LEU A 97 7.546 -19.012 4.785 1.00 0.00 H ATOM 694 H LEU A 97 10.536 -15.405 1.019 1.00 0.00 H ATOM 695 N SER A 98 7.175 -17.510 0.803 1.00 11.40 N ATOM 696 CA SER A 98 5.869 -17.033 0.318 1.00 11.09 C ATOM 697 C SER A 98 4.805 -17.691 1.238 1.00 12.76 C ATOM 698 O SER A 98 4.898 -18.886 1.531 1.00 12.22 O ATOM 699 CB SER A 98 5.652 -17.512 -1.160 1.00 12.12 C ATOM 700 OG SER A 98 6.543 -16.888 -2.039 1.00 12.74 O ATOM 701 HA SER A 98 5.804 -15.945 0.339 1.00 0.00 H ATOM 702 HB2 SER A 98 4.632 -17.276 -1.463 1.00 0.00 H ATOM 703 HB3 SER A 98 5.803 -18.590 -1.209 1.00 0.00 H ATOM 704 HG SER A 98 6.407 -15.908 -2.004 1.00 0.00 H ATOM 705 H SER A 98 7.403 -18.525 0.797 1.00 0.00 H ATOM 706 N VAL A 99 3.808 -16.906 1.671 1.00 12.82 N ATOM 707 CA VAL A 99 2.914 -17.317 2.767 1.00 13.21 C ATOM 708 C VAL A 99 1.469 -16.888 2.479 1.00 12.98 C ATOM 709 O VAL A 99 1.220 -15.738 2.149 1.00 13.82 O ATOM 710 CB VAL A 99 3.332 -16.664 4.086 1.00 13.17 C ATOM 711 CG1 VAL A 99 2.472 -17.304 5.286 1.00 12.48 C ATOM 712 CG2 VAL A 99 4.846 -16.849 4.374 1.00 14.52 C ATOM 713 HA VAL A 99 2.982 -18.402 2.844 1.00 0.00 H ATOM 714 HB VAL A 99 3.142 -15.594 4.008 1.00 0.00 H ATOM 715 HG11 VAL A 99 1.412 -17.125 5.107 1.00 0.00 H ATOM 716 HG12 VAL A 99 2.658 -18.377 5.332 1.00 0.00 H ATOM 717 HG13 VAL A 99 2.766 -16.842 6.229 1.00 0.00 H ATOM 718 HG21 VAL A 99 5.076 -17.913 4.433 1.00 0.00 H ATOM 719 HG22 VAL A 99 5.426 -16.395 3.570 1.00 0.00 H ATOM 720 HG23 VAL A 99 5.096 -16.369 5.320 1.00 0.00 H ATOM 721 H VAL A 99 3.662 -15.980 1.220 1.00 0.00 H ATOM 722 N LYS A 100 0.512 -17.818 2.538 1.00 14.51 N ATOM 723 CA LYS A 100 -0.899 -17.452 2.341 1.00 14.35 C ATOM 724 C LYS A 100 -1.426 -16.700 3.563 1.00 15.50 C ATOM 725 O LYS A 100 -1.266 -17.156 4.714 1.00 15.56 O ATOM 726 CB LYS A 100 -1.803 -18.684 2.052 1.00 15.02 C ATOM 727 CG LYS A 100 -3.251 -18.278 1.484 1.00 15.14 C ATOM 728 CD LYS A 100 -4.396 -18.968 2.207 1.00 18.71 C ATOM 729 CE LYS A 100 -5.822 -18.601 1.639 1.00 13.36 C ATOM 730 NZ LYS A 100 -5.682 -18.663 0.151 1.00 18.88 N ATOM 731 HA LYS A 100 -0.938 -16.807 1.463 1.00 0.00 H ATOM 732 HB2 LYS A 100 -1.305 -19.316 1.317 1.00 0.00 H ATOM 733 HB3 LYS A 100 -1.937 -19.243 2.978 1.00 0.00 H ATOM 734 HG2 LYS A 100 -3.374 -17.200 1.589 1.00 0.00 H ATOM 735 HG3 LYS A 100 -3.296 -18.546 0.428 1.00 0.00 H ATOM 736 HD2 LYS A 100 -4.258 -20.046 2.120 1.00 0.00 H ATOM 737 HD3 LYS A 100 -4.361 -18.682 3.258 1.00 0.00 H ATOM 738 HE2 LYS A 100 -6.113 -17.599 1.954 1.00 0.00 H ATOM 739 HE3 LYS A 100 -6.567 -19.319 1.983 1.00 0.00 H ATOM 740 HZ1 LYS A 100 -4.961 -17.980 -0.157 1.00 0.00 H ATOM 741 HZ2 LYS A 100 -5.395 -19.622 -0.129 1.00 0.00 H ATOM 742 HZ3 LYS A 100 -6.594 -18.430 -0.292 1.00 0.00 H ATOM 743 H LYS A 100 0.767 -18.809 2.725 1.00 0.00 H ATOM 744 N PHE A 101 -2.068 -15.559 3.307 1.00 15.73 N ATOM 745 CA PHE A 101 -2.795 -14.864 4.326 1.00 17.03 C ATOM 746 C PHE A 101 -4.121 -14.319 3.755 1.00 19.55 C ATOM 747 O PHE A 101 -4.113 -13.435 2.889 1.00 18.53 O ATOM 748 CB PHE A 101 -1.971 -13.724 4.931 1.00 17.31 C ATOM 749 CG PHE A 101 -2.722 -13.044 6.011 1.00 19.42 C ATOM 750 CD1 PHE A 101 -3.307 -11.808 5.778 1.00 21.95 C ATOM 751 CD2 PHE A 101 -2.975 -13.717 7.213 1.00 19.85 C ATOM 752 CE1 PHE A 101 -4.099 -11.162 6.786 1.00 28.01 C ATOM 753 CE2 PHE A 101 -3.737 -13.105 8.234 1.00 24.21 C ATOM 754 CZ PHE A 101 -4.311 -11.819 8.010 1.00 25.81 C ATOM 755 HA PHE A 101 -3.012 -15.575 5.123 1.00 0.00 H ATOM 756 HB2 PHE A 101 -1.046 -14.130 5.340 1.00 0.00 H ATOM 757 HB3 PHE A 101 -1.735 -13.001 4.150 1.00 0.00 H ATOM 758 HD2 PHE A 101 -2.581 -14.722 7.362 1.00 0.00 H ATOM 759 HE2 PHE A 101 -3.885 -13.613 9.187 1.00 0.00 H ATOM 760 HZ PHE A 101 -4.913 -11.347 8.786 1.00 0.00 H ATOM 761 HE1 PHE A 101 -4.529 -10.177 6.605 1.00 0.00 H ATOM 762 HD1 PHE A 101 -3.163 -11.320 4.814 1.00 0.00 H ATOM 763 H PHE A 101 -2.040 -15.165 2.345 1.00 0.00 H ATOM 764 N GLY A 102 -5.262 -14.828 4.229 1.00 21.56 N ATOM 765 CA GLY A 102 -6.563 -14.407 3.664 1.00 22.48 C ATOM 766 C GLY A 102 -6.620 -14.672 2.167 1.00 22.82 C ATOM 767 O GLY A 102 -6.246 -15.773 1.661 1.00 25.19 O ATOM 768 HA3 GLY A 102 -6.701 -13.341 3.843 1.00 0.00 H ATOM 769 HA2 GLY A 102 -7.362 -14.963 4.155 1.00 0.00 H ATOM 770 H GLY A 102 -5.235 -15.525 5.000 1.00 0.00 H ATOM 771 N ASN A 103 -6.989 -13.631 1.429 1.00 22.93 N ATOM 772 CA ASN A 103 -7.019 -13.708 -0.048 1.00 24.17 C ATOM 773 C ASN A 103 -5.716 -13.313 -0.731 1.00 22.95 C ATOM 774 O ASN A 103 -5.643 -13.193 -1.957 1.00 22.78 O ATOM 775 CB ASN A 103 -8.220 -12.912 -0.596 1.00 25.64 C ATOM 776 CG ASN A 103 -9.524 -13.364 0.087 1.00 33.19 C ATOM 777 OD1 ASN A 103 -9.899 -14.548 -0.003 1.00 37.03 O ATOM 778 ND2 ASN A 103 -10.086 -12.489 0.942 1.00 39.40 N ATOM 779 HA ASN A 103 -7.142 -14.762 -0.296 1.00 0.00 H ATOM 780 HB2 ASN A 103 -8.064 -11.850 -0.405 1.00 0.00 H ATOM 781 HB3 ASN A 103 -8.301 -13.079 -1.670 1.00 0.00 H ATOM 782 HD22 ASN A 103 -9.741 -11.509 0.984 1.00 0.00 H ATOM 783 HD21 ASN A 103 -10.865 -12.793 1.560 1.00 0.00 H ATOM 784 H ASN A 103 -7.262 -12.744 1.899 1.00 0.00 H ATOM 785 N ASP A 104 -4.669 -13.159 0.078 1.00 21.03 N ATOM 786 CA ASP A 104 -3.404 -12.600 -0.383 1.00 20.40 C ATOM 787 C ASP A 104 -2.309 -13.679 -0.270 1.00 18.86 C ATOM 788 O ASP A 104 -2.502 -14.710 0.400 1.00 17.31 O ATOM 789 CB ASP A 104 -3.035 -11.394 0.497 1.00 21.44 C ATOM 790 CG ASP A 104 -3.979 -10.210 0.324 1.00 24.64 C ATOM 791 OD1 ASP A 104 -4.511 -9.977 -0.792 1.00 25.36 O ATOM 792 OD2 ASP A 104 -4.140 -9.475 1.319 1.00 28.58 O ATOM 793 HA ASP A 104 -3.493 -12.277 -1.420 1.00 0.00 H ATOM 794 HB2 ASP A 104 -3.059 -11.707 1.541 1.00 0.00 H ATOM 795 HB3 ASP A 104 -2.026 -11.073 0.239 1.00 0.00 H ATOM 796 H ASP A 104 -4.757 -13.448 1.073 1.00 0.00 H ATOM 797 N VAL A 105 -1.187 -13.474 -0.961 1.00 17.33 N ATOM 798 CA VAL A 105 0.014 -14.274 -0.669 1.00 16.19 C ATOM 799 C VAL A 105 1.072 -13.263 -0.384 1.00 16.21 C ATOM 800 O VAL A 105 1.291 -12.356 -1.240 1.00 17.94 O ATOM 801 CB VAL A 105 0.389 -15.221 -1.813 1.00 15.64 C ATOM 802 CG1 VAL A 105 1.779 -15.878 -1.542 1.00 14.96 C ATOM 803 CG2 VAL A 105 -0.715 -16.261 -1.924 1.00 14.67 C ATOM 804 HA VAL A 105 -0.141 -14.948 0.173 1.00 0.00 H ATOM 805 HB VAL A 105 0.478 -14.680 -2.755 1.00 0.00 H ATOM 806 HG11 VAL A 105 2.538 -15.100 -1.461 1.00 0.00 H ATOM 807 HG12 VAL A 105 1.737 -16.444 -0.611 1.00 0.00 H ATOM 808 HG13 VAL A 105 2.030 -16.548 -2.365 1.00 0.00 H ATOM 809 HG21 VAL A 105 -0.792 -16.809 -0.985 1.00 0.00 H ATOM 810 HG22 VAL A 105 -1.661 -15.763 -2.135 1.00 0.00 H ATOM 811 HG23 VAL A 105 -0.480 -16.954 -2.732 1.00 0.00 H ATOM 812 H VAL A 105 -1.160 -12.749 -1.706 1.00 0.00 H ATOM 813 N GLN A 106 1.705 -13.368 0.789 1.00 14.20 N ATOM 814 CA GLN A 106 2.720 -12.420 1.153 1.00 14.42 C ATOM 815 C GLN A 106 4.082 -13.061 0.834 1.00 14.81 C ATOM 816 O GLN A 106 4.271 -14.287 1.077 1.00 14.79 O ATOM 817 CB GLN A 106 2.665 -12.132 2.666 1.00 14.38 C ATOM 818 CG GLN A 106 1.351 -11.426 3.041 1.00 14.64 C ATOM 819 CD GLN A 106 1.264 -10.959 4.463 1.00 21.47 C ATOM 820 OE1 GLN A 106 0.198 -10.412 4.894 1.00 24.91 O ATOM 821 NE2 GLN A 106 2.319 -11.080 5.180 1.00 13.31 N ATOM 822 HA GLN A 106 2.571 -11.488 0.608 1.00 0.00 H ATOM 823 HB2 GLN A 106 2.734 -13.073 3.212 1.00 0.00 H ATOM 824 HB3 GLN A 106 3.505 -11.493 2.939 1.00 0.00 H ATOM 825 HG2 GLN A 106 1.237 -10.557 2.392 1.00 0.00 H ATOM 826 HG3 GLN A 106 0.531 -12.121 2.863 1.00 0.00 H ATOM 827 HE22 GLN A 106 3.167 -11.534 4.785 1.00 0.00 H ATOM 828 HE21 GLN A 106 2.327 -10.724 6.157 1.00 0.00 H ATOM 829 H GLN A 106 1.461 -14.140 1.441 1.00 0.00 H ATOM 830 N HIS A 107 5.042 -12.203 0.446 1.00 14.52 N ATOM 831 CA HIS A 107 6.418 -12.655 0.109 1.00 12.83 C ATOM 832 C HIS A 107 7.449 -11.968 0.952 1.00 12.94 C ATOM 833 O HIS A 107 7.384 -10.732 1.174 1.00 13.28 O ATOM 834 CB HIS A 107 6.730 -12.407 -1.370 1.00 14.21 C ATOM 835 CG HIS A 107 5.744 -13.037 -2.311 1.00 14.37 C ATOM 836 ND1 HIS A 107 5.850 -14.344 -2.730 1.00 12.55 N ATOM 837 CD2 HIS A 107 4.654 -12.533 -2.940 1.00 12.27 C ATOM 838 CE1 HIS A 107 4.884 -14.618 -3.592 1.00 13.87 C ATOM 839 NE2 HIS A 107 4.132 -13.537 -3.711 1.00 15.44 N ATOM 840 HA HIS A 107 6.457 -13.725 0.313 1.00 0.00 H ATOM 841 HB2 HIS A 107 6.734 -11.331 -1.545 1.00 0.00 H ATOM 842 HB3 HIS A 107 7.719 -12.812 -1.586 1.00 0.00 H ATOM 843 HD2 HIS A 107 4.266 -11.519 -2.849 1.00 0.00 H ATOM 844 HE1 HIS A 107 4.735 -15.565 -4.111 1.00 0.00 H ATOM 845 H HIS A 107 4.815 -11.190 0.379 1.00 0.00 H ATOM 846 N PHE A 108 8.389 -12.753 1.483 1.00 12.30 N ATOM 847 CA PHE A 108 9.490 -12.208 2.314 1.00 12.74 C ATOM 848 C PHE A 108 10.832 -12.582 1.693 1.00 13.57 C ATOM 849 O PHE A 108 11.060 -13.720 1.285 1.00 13.32 O ATOM 850 CB PHE A 108 9.459 -12.757 3.765 1.00 12.46 C ATOM 851 CG PHE A 108 8.122 -12.494 4.475 1.00 13.25 C ATOM 852 CD1 PHE A 108 7.005 -13.297 4.200 1.00 15.47 C ATOM 853 CD2 PHE A 108 7.981 -11.486 5.382 1.00 16.86 C ATOM 854 CE1 PHE A 108 5.757 -13.072 4.797 1.00 16.21 C ATOM 855 CE2 PHE A 108 6.737 -11.269 5.990 1.00 16.09 C ATOM 856 CZ PHE A 108 5.629 -12.038 5.709 1.00 15.52 C ATOM 857 HA PHE A 108 9.358 -11.127 2.350 1.00 0.00 H ATOM 858 HB2 PHE A 108 9.631 -13.833 3.734 1.00 0.00 H ATOM 859 HB3 PHE A 108 10.256 -12.279 4.335 1.00 0.00 H ATOM 860 HD2 PHE A 108 8.831 -10.852 5.633 1.00 0.00 H ATOM 861 HE2 PHE A 108 6.642 -10.460 6.714 1.00 0.00 H ATOM 862 HZ PHE A 108 4.673 -11.837 6.193 1.00 0.00 H ATOM 863 HE1 PHE A 108 4.902 -13.700 4.548 1.00 0.00 H ATOM 864 HD1 PHE A 108 7.111 -14.124 3.498 1.00 0.00 H ATOM 865 H PHE A 108 8.348 -13.777 1.309 1.00 0.00 H ATOM 866 N LYS A 109 11.742 -11.603 1.624 1.00 12.97 N ATOM 867 CA LYS A 109 13.146 -11.932 1.250 1.00 13.67 C ATOM 868 C LYS A 109 13.775 -12.677 2.428 1.00 13.92 C ATOM 869 O LYS A 109 13.616 -12.286 3.618 1.00 14.34 O ATOM 870 CB LYS A 109 14.009 -10.652 1.069 1.00 14.60 C ATOM 871 CG LYS A 109 13.428 -9.678 0.145 1.00 17.20 C ATOM 872 CD LYS A 109 14.416 -8.483 0.009 1.00 14.56 C ATOM 873 CE LYS A 109 14.192 -7.429 1.114 1.00 19.38 C ATOM 874 NZ LYS A 109 15.040 -6.128 0.761 1.00 19.19 N ATOM 875 HA LYS A 109 13.121 -12.503 0.322 1.00 0.00 H ATOM 876 HB2 LYS A 109 14.127 -10.176 2.042 1.00 0.00 H ATOM 877 HB3 LYS A 109 14.987 -10.947 0.689 1.00 0.00 H ATOM 878 HG2 LYS A 109 13.273 -10.141 -0.829 1.00 0.00 H ATOM 879 HG3 LYS A 109 12.473 -9.325 0.534 1.00 0.00 H ATOM 880 HD2 LYS A 109 15.437 -8.858 0.080 1.00 0.00 H ATOM 881 HD3 LYS A 109 14.270 -8.012 -0.963 1.00 0.00 H ATOM 882 HE2 LYS A 109 14.517 -7.829 2.074 1.00 0.00 H ATOM 883 HE3 LYS A 109 13.134 -7.174 1.168 1.00 0.00 H ATOM 884 HZ1 LYS A 109 16.049 -6.377 0.709 1.00 0.00 H ATOM 885 HZ2 LYS A 109 14.727 -5.750 -0.156 1.00 0.00 H ATOM 886 HZ3 LYS A 109 14.896 -5.411 1.500 1.00 0.00 H ATOM 887 H LYS A 109 11.471 -10.620 1.830 1.00 0.00 H ATOM 888 N VAL A 110 14.495 -13.746 2.113 1.00 12.05 N ATOM 889 CA VAL A 110 15.369 -14.350 3.122 1.00 13.19 C ATOM 890 C VAL A 110 16.702 -13.624 2.994 1.00 13.55 C ATOM 891 O VAL A 110 17.433 -13.806 2.010 1.00 15.45 O ATOM 892 CB VAL A 110 15.527 -15.848 2.865 1.00 13.49 C ATOM 893 CG1 VAL A 110 16.465 -16.492 3.893 1.00 12.55 C ATOM 894 CG2 VAL A 110 14.125 -16.498 2.965 1.00 11.93 C ATOM 895 HA VAL A 110 14.961 -14.252 4.128 1.00 0.00 H ATOM 896 HB VAL A 110 15.961 -16.002 1.877 1.00 0.00 H ATOM 897 HG11 VAL A 110 17.447 -16.023 3.831 1.00 0.00 H ATOM 898 HG12 VAL A 110 16.056 -16.352 4.894 1.00 0.00 H ATOM 899 HG13 VAL A 110 16.556 -17.558 3.682 1.00 0.00 H ATOM 900 HG21 VAL A 110 13.716 -16.326 3.961 1.00 0.00 H ATOM 901 HG22 VAL A 110 13.466 -16.054 2.219 1.00 0.00 H ATOM 902 HG23 VAL A 110 14.209 -17.570 2.785 1.00 0.00 H ATOM 903 H VAL A 110 14.439 -14.152 1.157 1.00 0.00 H ATOM 904 N LEU A 111 16.999 -12.814 3.997 1.00 14.30 N ATOM 905 CA LEU A 111 18.215 -11.984 4.018 1.00 14.81 C ATOM 906 C LEU A 111 19.378 -12.761 4.625 1.00 14.33 C ATOM 907 O LEU A 111 19.163 -13.703 5.394 1.00 13.30 O ATOM 908 CB LEU A 111 17.919 -10.706 4.830 1.00 13.04 C ATOM 909 CG LEU A 111 16.759 -9.873 4.283 1.00 16.71 C ATOM 910 CD1 LEU A 111 16.450 -8.778 5.249 1.00 16.47 C ATOM 911 CD2 LEU A 111 17.084 -9.303 2.869 1.00 14.88 C ATOM 912 HA LEU A 111 18.500 -11.711 3.002 1.00 0.00 H ATOM 913 HB2 LEU A 111 17.679 -10.998 5.852 1.00 0.00 H ATOM 914 HB3 LEU A 111 18.815 -10.086 4.831 1.00 0.00 H ATOM 915 HG LEU A 111 15.883 -10.512 4.170 1.00 0.00 H ATOM 916 HD21 LEU A 111 17.968 -8.668 2.929 1.00 0.00 H ATOM 917 HD22 LEU A 111 17.273 -10.127 2.181 1.00 0.00 H ATOM 918 HD23 LEU A 111 16.238 -8.717 2.512 1.00 0.00 H ATOM 919 HD11 LEU A 111 16.172 -9.211 6.210 1.00 0.00 H ATOM 920 HD12 LEU A 111 17.330 -8.147 5.374 1.00 0.00 H ATOM 921 HD13 LEU A 111 15.624 -8.180 4.866 1.00 0.00 H ATOM 922 H LEU A 111 16.346 -12.761 4.805 1.00 0.00 H ATOM 923 N ARG A 112 20.608 -12.381 4.261 1.00 15.92 N ATOM 924 CA ARG A 112 21.817 -12.991 4.777 1.00 16.52 C ATOM 925 C ARG A 112 22.689 -11.946 5.488 1.00 17.25 C ATOM 926 O ARG A 112 22.759 -10.777 5.038 1.00 19.79 O ATOM 927 CB ARG A 112 22.655 -13.558 3.629 1.00 17.77 C ATOM 928 CG ARG A 112 21.961 -14.534 2.709 1.00 22.59 C ATOM 929 CD ARG A 112 21.421 -15.701 3.508 1.00 23.50 C ATOM 930 NE ARG A 112 22.441 -16.723 3.839 1.00 26.41 N ATOM 931 CZ ARG A 112 23.057 -17.532 2.951 1.00 28.98 C ATOM 932 NH1 ARG A 112 22.794 -17.398 1.640 1.00 27.41 N ATOM 933 NH2 ARG A 112 23.938 -18.455 3.390 1.00 20.87 N ATOM 934 HA ARG A 112 21.515 -13.777 5.469 1.00 0.00 H ATOM 935 HB2 ARG A 112 23.000 -12.719 3.024 1.00 0.00 H ATOM 936 HB3 ARG A 112 23.514 -14.067 4.065 1.00 0.00 H ATOM 937 HG2 ARG A 112 21.138 -14.031 2.202 1.00 0.00 H ATOM 938 HG3 ARG A 112 22.672 -14.901 1.968 1.00 0.00 H ATOM 939 HD2 ARG A 112 20.631 -16.179 2.928 1.00 0.00 H ATOM 940 HD3 ARG A 112 21.005 -15.317 4.439 1.00 0.00 H ATOM 941 HE ARG A 112 22.705 -16.826 4.840 1.00 0.00 H ATOM 942 HH12 ARG A 112 23.264 -18.017 0.949 1.00 0.00 H ATOM 943 HH11 ARG A 112 22.120 -16.675 1.316 1.00 0.00 H ATOM 944 HH22 ARG A 112 24.416 -19.082 2.711 1.00 0.00 H ATOM 945 HH21 ARG A 112 24.139 -18.540 4.407 1.00 0.00 H ATOM 946 H ARG A 112 20.701 -11.608 3.572 1.00 0.00 H ATOM 947 N ASP A 113 23.356 -12.341 6.571 1.00 17.32 N ATOM 948 CA ASP A 113 24.343 -11.434 7.228 1.00 18.13 C ATOM 949 C ASP A 113 25.694 -11.662 6.560 1.00 20.76 C ATOM 950 O ASP A 113 25.785 -12.406 5.541 1.00 20.49 O ATOM 951 CB ASP A 113 24.350 -11.653 8.763 1.00 17.30 C ATOM 952 CG ASP A 113 25.041 -12.946 9.201 1.00 18.65 C ATOM 953 OD1 ASP A 113 25.461 -13.800 8.367 1.00 16.67 O ATOM 954 OD2 ASP A 113 25.204 -13.112 10.445 1.00 19.49 O ATOM 955 HA ASP A 113 24.075 -10.386 7.098 1.00 0.00 H ATOM 956 HB2 ASP A 113 24.866 -10.813 9.228 1.00 0.00 H ATOM 957 HB3 ASP A 113 23.317 -11.680 9.111 1.00 0.00 H ATOM 958 H ASP A 113 23.188 -13.290 6.962 1.00 0.00 H ATOM 959 N GLY A 114 26.770 -11.052 7.090 1.00 22.25 N ATOM 960 CA GLY A 114 28.108 -11.242 6.464 1.00 24.73 C ATOM 961 C GLY A 114 28.627 -12.668 6.576 1.00 25.49 C ATOM 962 O GLY A 114 29.501 -13.068 5.808 1.00 26.87 O ATOM 963 HA3 GLY A 114 28.818 -10.576 6.954 1.00 0.00 H ATOM 964 HA2 GLY A 114 28.037 -10.981 5.408 1.00 0.00 H ATOM 965 H GLY A 114 26.668 -10.451 7.933 1.00 0.00 H ATOM 966 N ALA A 115 28.118 -13.451 7.530 1.00 25.05 N ATOM 967 CA ALA A 115 28.628 -14.791 7.772 1.00 24.52 C ATOM 968 C ALA A 115 27.796 -15.858 7.057 1.00 25.05 C ATOM 969 O ALA A 115 28.128 -17.022 7.149 1.00 27.57 O ATOM 970 CB ALA A 115 28.719 -15.103 9.244 1.00 24.72 C ATOM 971 HA ALA A 115 29.636 -14.812 7.358 1.00 0.00 H ATOM 972 HB1 ALA A 115 29.390 -14.391 9.724 1.00 0.00 H ATOM 973 HB2 ALA A 115 27.728 -15.029 9.692 1.00 0.00 H ATOM 974 HB3 ALA A 115 29.105 -16.114 9.377 1.00 0.00 H ATOM 975 H ALA A 115 27.336 -13.093 8.115 1.00 0.00 H ATOM 976 N GLY A 116 26.761 -15.464 6.318 1.00 22.59 N ATOM 977 CA GLY A 116 25.870 -16.410 5.673 1.00 21.50 C ATOM 978 C GLY A 116 24.722 -16.942 6.529 1.00 21.00 C ATOM 979 O GLY A 116 24.068 -17.886 6.110 1.00 22.15 O ATOM 980 HA3 GLY A 116 26.467 -17.262 5.349 1.00 0.00 H ATOM 981 HA2 GLY A 116 25.437 -15.919 4.802 1.00 0.00 H ATOM 982 H GLY A 116 26.586 -14.446 6.199 1.00 0.00 H ATOM 983 N LYS A 117 24.456 -16.390 7.720 1.00 18.62 N ATOM 984 CA LYS A 117 23.203 -16.673 8.419 1.00 16.69 C ATOM 985 C LYS A 117 22.020 -16.084 7.720 1.00 15.14 C ATOM 986 O LYS A 117 22.145 -15.148 6.940 1.00 17.70 O ATOM 987 CB LYS A 117 23.254 -16.141 9.837 1.00 17.73 C ATOM 988 CG LYS A 117 24.433 -16.880 10.557 1.00 21.62 C ATOM 989 CD LYS A 117 24.278 -16.796 12.010 1.00 24.32 C ATOM 990 CE LYS A 117 25.400 -17.515 12.698 1.00 31.64 C ATOM 991 NZ LYS A 117 24.786 -18.047 13.981 1.00 36.91 N ATOM 992 HA LYS A 117 23.089 -17.757 8.430 1.00 0.00 H ATOM 993 HB2 LYS A 117 23.434 -15.066 9.828 1.00 0.00 H ATOM 994 HB3 LYS A 117 22.314 -16.346 10.349 1.00 0.00 H ATOM 995 HG2 LYS A 117 24.437 -17.928 10.256 1.00 0.00 H ATOM 996 HG3 LYS A 117 25.377 -16.417 10.269 1.00 0.00 H ATOM 997 HD2 LYS A 117 24.283 -15.749 12.312 1.00 0.00 H ATOM 998 HD3 LYS A 117 23.330 -17.251 12.297 1.00 0.00 H ATOM 999 HE2 LYS A 117 26.219 -16.830 12.918 1.00 0.00 H ATOM 1000 HE3 LYS A 117 25.769 -18.333 12.080 1.00 0.00 H ATOM 1001 HZ1 LYS A 117 24.430 -17.252 14.549 1.00 0.00 H ATOM 1002 HZ2 LYS A 117 24.001 -18.688 13.748 1.00 0.00 H ATOM 1003 HZ3 LYS A 117 25.509 -18.564 14.521 1.00 0.00 H ATOM 1004 H LYS A 117 25.151 -15.750 8.154 1.00 0.00 H ATOM 1005 N TYR A 118 20.838 -16.657 7.982 1.00 14.48 N ATOM 1006 CA TYR A 118 19.603 -16.262 7.299 1.00 15.12 C ATOM 1007 C TYR A 118 18.656 -15.556 8.243 1.00 14.08 C ATOM 1008 O TYR A 118 18.506 -15.991 9.399 1.00 14.32 O ATOM 1009 CB TYR A 118 18.826 -17.523 6.915 1.00 15.08 C ATOM 1010 CG TYR A 118 19.575 -18.405 5.951 1.00 14.25 C ATOM 1011 CD1 TYR A 118 20.346 -19.454 6.407 1.00 14.58 C ATOM 1012 CD2 TYR A 118 19.497 -18.177 4.550 1.00 16.88 C ATOM 1013 CE1 TYR A 118 21.023 -20.317 5.490 1.00 15.51 C ATOM 1014 CE2 TYR A 118 20.214 -19.044 3.610 1.00 15.62 C ATOM 1015 CZ TYR A 118 20.926 -20.098 4.113 1.00 16.17 C ATOM 1016 OH TYR A 118 21.634 -20.972 3.261 1.00 16.38 O ATOM 1017 HA TYR A 118 19.895 -15.634 6.458 1.00 0.00 H ATOM 1018 HB3 TYR A 118 17.885 -17.224 6.454 1.00 0.00 H ATOM 1019 HB2 TYR A 118 18.620 -18.094 7.821 1.00 0.00 H ATOM 1020 HD2 TYR A 118 18.898 -17.349 4.171 1.00 0.00 H ATOM 1021 HE2 TYR A 118 20.181 -18.853 2.537 1.00 0.00 H ATOM 1022 HE1 TYR A 118 21.617 -21.149 5.866 1.00 0.00 H ATOM 1023 HD1 TYR A 118 20.440 -19.627 7.479 1.00 0.00 H ATOM 1024 HH TYR A 118 22.084 -21.667 3.803 1.00 0.00 H ATOM 1025 H TYR A 118 20.795 -17.411 8.697 1.00 0.00 H ATOM 1026 N PHE A 119 17.933 -14.557 7.752 1.00 13.69 N ATOM 1027 CA PHE A 119 16.949 -13.930 8.626 1.00 13.70 C ATOM 1028 C PHE A 119 15.838 -13.267 7.807 1.00 13.36 C ATOM 1029 O PHE A 119 16.036 -12.988 6.619 1.00 13.65 O ATOM 1030 CB PHE A 119 17.631 -12.905 9.600 1.00 13.20 C ATOM 1031 CG PHE A 119 18.275 -11.714 8.912 1.00 14.74 C ATOM 1032 CD1 PHE A 119 17.591 -10.469 8.846 1.00 15.11 C ATOM 1033 CD2 PHE A 119 19.585 -11.764 8.440 1.00 16.36 C ATOM 1034 CE1 PHE A 119 18.173 -9.346 8.262 1.00 13.21 C ATOM 1035 CE2 PHE A 119 20.170 -10.612 7.842 1.00 16.17 C ATOM 1036 CZ PHE A 119 19.466 -9.414 7.794 1.00 14.56 C ATOM 1037 HA PHE A 119 16.493 -14.709 9.237 1.00 0.00 H ATOM 1038 HB2 PHE A 119 16.872 -12.532 10.288 1.00 0.00 H ATOM 1039 HB3 PHE A 119 18.402 -13.431 10.163 1.00 0.00 H ATOM 1040 HD2 PHE A 119 20.162 -12.685 8.529 1.00 0.00 H ATOM 1041 HE2 PHE A 119 21.173 -10.669 7.420 1.00 0.00 H ATOM 1042 HZ PHE A 119 19.941 -8.523 7.383 1.00 0.00 H ATOM 1043 HE1 PHE A 119 17.607 -8.418 8.176 1.00 0.00 H ATOM 1044 HD1 PHE A 119 16.587 -10.391 9.263 1.00 0.00 H ATOM 1045 H PHE A 119 18.065 -14.231 6.773 1.00 0.00 H ATOM 1046 N LEU A 120 14.700 -12.999 8.478 1.00 13.91 N ATOM 1047 CA LEU A 120 13.644 -12.140 7.874 1.00 13.96 C ATOM 1048 C LEU A 120 13.689 -10.689 8.371 1.00 13.86 C ATOM 1049 O LEU A 120 13.605 -9.726 7.577 1.00 13.84 O ATOM 1050 CB LEU A 120 12.261 -12.722 8.163 1.00 14.90 C ATOM 1051 CG LEU A 120 12.009 -14.168 7.649 1.00 13.14 C ATOM 1052 CD1 LEU A 120 10.517 -14.518 7.952 1.00 11.18 C ATOM 1053 CD2 LEU A 120 12.346 -14.300 6.131 1.00 13.58 C ATOM 1054 HA LEU A 120 13.839 -12.126 6.802 1.00 0.00 H ATOM 1055 HB2 LEU A 120 12.118 -12.722 9.244 1.00 0.00 H ATOM 1056 HB3 LEU A 120 11.521 -12.069 7.700 1.00 0.00 H ATOM 1057 HG LEU A 120 12.665 -14.874 8.158 1.00 0.00 H ATOM 1058 HD21 LEU A 120 11.719 -13.615 5.560 1.00 0.00 H ATOM 1059 HD22 LEU A 120 13.395 -14.053 5.970 1.00 0.00 H ATOM 1060 HD23 LEU A 120 12.158 -15.323 5.806 1.00 0.00 H ATOM 1061 HD11 LEU A 120 10.342 -14.458 9.026 1.00 0.00 H ATOM 1062 HD12 LEU A 120 9.867 -13.810 7.437 1.00 0.00 H ATOM 1063 HD13 LEU A 120 10.304 -15.529 7.604 1.00 0.00 H ATOM 1064 H LEU A 120 14.558 -13.397 9.428 1.00 0.00 H ATOM 1065 N TRP A 121 13.828 -10.536 9.690 1.00 14.08 N ATOM 1066 CA TRP A 121 13.752 -9.227 10.288 1.00 15.08 C ATOM 1067 C TRP A 121 15.000 -8.990 11.165 1.00 16.48 C ATOM 1068 O TRP A 121 15.832 -8.189 10.793 1.00 16.57 O ATOM 1069 CB TRP A 121 12.508 -9.115 11.160 1.00 14.92 C ATOM 1070 CG TRP A 121 11.219 -9.226 10.382 1.00 16.08 C ATOM 1071 CD1 TRP A 121 10.404 -10.329 10.335 1.00 18.59 C ATOM 1072 CD2 TRP A 121 10.612 -8.233 9.527 1.00 13.89 C ATOM 1073 NE1 TRP A 121 9.305 -10.081 9.497 1.00 14.64 N ATOM 1074 CE2 TRP A 121 9.400 -8.803 9.015 1.00 15.57 C ATOM 1075 CE3 TRP A 121 10.929 -6.915 9.177 1.00 17.53 C ATOM 1076 CZ2 TRP A 121 8.537 -8.095 8.183 1.00 17.81 C ATOM 1077 CZ3 TRP A 121 10.040 -6.203 8.292 1.00 18.70 C ATOM 1078 CH2 TRP A 121 8.871 -6.808 7.837 1.00 18.55 C ATOM 1079 HA TRP A 121 13.703 -8.482 9.494 1.00 0.00 H ATOM 1080 HB2 TRP A 121 12.533 -9.912 11.903 1.00 0.00 H ATOM 1081 HB3 TRP A 121 12.525 -8.149 11.665 1.00 0.00 H ATOM 1082 HE1 TRP A 121 8.545 -10.756 9.279 1.00 0.00 H ATOM 1083 HD1 TRP A 121 10.584 -11.262 10.870 1.00 0.00 H ATOM 1084 HZ2 TRP A 121 7.618 -8.551 7.815 1.00 0.00 H ATOM 1085 HH2 TRP A 121 8.202 -6.244 7.187 1.00 0.00 H ATOM 1086 HZ3 TRP A 121 10.284 -5.188 7.978 1.00 0.00 H ATOM 1087 HE3 TRP A 121 11.829 -6.437 9.565 1.00 0.00 H ATOM 1088 H TRP A 121 13.993 -11.369 10.291 1.00 0.00 H ATOM 1089 N VAL A 122 15.110 -9.687 12.310 1.00 16.25 N ATOM 1090 CA VAL A 122 16.199 -9.391 13.288 1.00 17.20 C ATOM 1091 C VAL A 122 16.884 -10.664 13.768 1.00 16.10 C ATOM 1092 O VAL A 122 18.092 -10.709 13.788 1.00 16.03 O ATOM 1093 CB VAL A 122 15.662 -8.594 14.565 1.00 18.19 C ATOM 1094 CG1 VAL A 122 16.764 -8.445 15.649 1.00 19.42 C ATOM 1095 CG2 VAL A 122 15.125 -7.236 14.183 1.00 20.84 C ATOM 1096 HA VAL A 122 16.916 -8.768 12.753 1.00 0.00 H ATOM 1097 HB VAL A 122 14.846 -9.182 14.984 1.00 0.00 H ATOM 1098 HG11 VAL A 122 17.091 -9.434 15.971 1.00 0.00 H ATOM 1099 HG12 VAL A 122 17.610 -7.899 15.232 1.00 0.00 H ATOM 1100 HG13 VAL A 122 16.362 -7.898 16.502 1.00 0.00 H ATOM 1101 HG21 VAL A 122 15.918 -6.651 13.718 1.00 0.00 H ATOM 1102 HG22 VAL A 122 14.301 -7.357 13.479 1.00 0.00 H ATOM 1103 HG23 VAL A 122 14.769 -6.723 15.076 1.00 0.00 H ATOM 1104 H VAL A 122 14.427 -10.443 12.517 1.00 0.00 H ATOM 1105 N VAL A 123 16.112 -11.699 14.128 1.00 15.90 N ATOM 1106 CA VAL A 123 16.665 -12.930 14.702 1.00 15.20 C ATOM 1107 C VAL A 123 17.253 -13.763 13.539 1.00 16.28 C ATOM 1108 O VAL A 123 16.574 -13.945 12.508 1.00 17.92 O ATOM 1109 CB VAL A 123 15.560 -13.709 15.492 1.00 16.46 C ATOM 1110 CG1 VAL A 123 16.138 -15.035 16.043 1.00 16.18 C ATOM 1111 CG2 VAL A 123 15.105 -12.865 16.673 1.00 15.25 C ATOM 1112 HA VAL A 123 17.455 -12.709 15.420 1.00 0.00 H ATOM 1113 HB VAL A 123 14.727 -13.918 14.821 1.00 0.00 H ATOM 1114 HG11 VAL A 123 16.487 -15.650 15.214 1.00 0.00 H ATOM 1115 HG12 VAL A 123 16.971 -14.817 16.711 1.00 0.00 H ATOM 1116 HG13 VAL A 123 15.361 -15.569 16.591 1.00 0.00 H ATOM 1117 HG21 VAL A 123 15.955 -12.669 17.327 1.00 0.00 H ATOM 1118 HG22 VAL A 123 14.700 -11.921 16.309 1.00 0.00 H ATOM 1119 HG23 VAL A 123 14.335 -13.402 17.227 1.00 0.00 H ATOM 1120 H VAL A 123 15.083 -11.626 13.995 1.00 0.00 H ATOM 1121 N LYS A 124 18.482 -14.259 13.663 1.00 14.46 N ATOM 1122 CA LYS A 124 19.074 -14.973 12.486 1.00 15.09 C ATOM 1123 C LYS A 124 19.454 -16.399 12.779 1.00 15.56 C ATOM 1124 O LYS A 124 19.592 -16.781 13.955 1.00 15.39 O ATOM 1125 CB LYS A 124 20.223 -14.151 11.876 1.00 14.61 C ATOM 1126 CG LYS A 124 21.379 -13.940 12.787 1.00 14.60 C ATOM 1127 CD LYS A 124 22.323 -12.931 12.176 1.00 14.73 C ATOM 1128 CE LYS A 124 23.479 -12.730 13.184 1.00 14.89 C ATOM 1129 NZ LYS A 124 24.503 -11.751 12.603 1.00 12.85 N ATOM 1130 HA LYS A 124 18.292 -15.054 11.731 1.00 0.00 H ATOM 1131 HB2 LYS A 124 20.580 -14.671 10.987 1.00 0.00 H ATOM 1132 HB3 LYS A 124 19.830 -13.175 11.591 1.00 0.00 H ATOM 1133 HG2 LYS A 124 21.022 -13.569 13.748 1.00 0.00 H ATOM 1134 HG3 LYS A 124 21.902 -14.885 12.935 1.00 0.00 H ATOM 1135 HD2 LYS A 124 22.712 -13.306 11.229 1.00 0.00 H ATOM 1136 HD3 LYS A 124 21.805 -11.987 12.006 1.00 0.00 H ATOM 1137 HE2 LYS A 124 23.962 -13.688 13.378 1.00 0.00 H ATOM 1138 HE3 LYS A 124 23.082 -12.329 14.117 1.00 0.00 H ATOM 1139 HZ1 LYS A 124 24.882 -12.135 11.714 1.00 0.00 H ATOM 1140 HZ2 LYS A 124 24.042 -10.837 12.419 1.00 0.00 H ATOM 1141 HZ3 LYS A 124 25.279 -11.618 13.283 1.00 0.00 H ATOM 1142 H LYS A 124 19.015 -14.154 14.550 1.00 0.00 H ATOM 1143 N PHE A 125 19.610 -17.222 11.743 1.00 15.31 N ATOM 1144 CA PHE A 125 19.756 -18.666 11.963 1.00 15.45 C ATOM 1145 C PHE A 125 20.805 -19.268 11.054 1.00 15.30 C ATOM 1146 O PHE A 125 21.090 -18.733 9.986 1.00 14.59 O ATOM 1147 CB PHE A 125 18.400 -19.411 11.769 1.00 16.06 C ATOM 1148 CG PHE A 125 17.396 -19.051 12.815 1.00 17.14 C ATOM 1149 CD1 PHE A 125 17.415 -19.694 14.052 1.00 17.49 C ATOM 1150 CD2 PHE A 125 16.493 -18.015 12.592 1.00 17.35 C ATOM 1151 CE1 PHE A 125 16.563 -19.333 15.035 1.00 18.32 C ATOM 1152 CE2 PHE A 125 15.620 -17.644 13.572 1.00 20.21 C ATOM 1153 CZ PHE A 125 15.654 -18.306 14.791 1.00 20.07 C ATOM 1154 HA PHE A 125 20.081 -18.793 12.995 1.00 0.00 H ATOM 1155 HB2 PHE A 125 17.995 -19.152 10.791 1.00 0.00 H ATOM 1156 HB3 PHE A 125 18.581 -20.485 11.813 1.00 0.00 H ATOM 1157 HD2 PHE A 125 16.484 -17.499 11.632 1.00 0.00 H ATOM 1158 HE2 PHE A 125 14.906 -16.839 13.400 1.00 0.00 H ATOM 1159 HZ PHE A 125 14.954 -18.016 15.575 1.00 0.00 H ATOM 1160 HE1 PHE A 125 16.586 -19.836 16.002 1.00 0.00 H ATOM 1161 HD1 PHE A 125 18.128 -20.500 14.228 1.00 0.00 H ATOM 1162 H PHE A 125 19.628 -16.840 10.776 1.00 0.00 H ATOM 1163 N ASN A 126 21.318 -20.415 11.483 1.00 15.02 N ATOM 1164 CA ASN A 126 22.344 -21.150 10.712 1.00 16.22 C ATOM 1165 C ASN A 126 21.813 -21.902 9.511 1.00 16.27 C ATOM 1166 O ASN A 126 22.590 -22.403 8.686 1.00 17.34 O ATOM 1167 CB ASN A 126 23.108 -22.155 11.591 1.00 17.29 C ATOM 1168 CG ASN A 126 23.978 -21.451 12.584 1.00 23.81 C ATOM 1169 OD1 ASN A 126 24.401 -20.334 12.341 1.00 28.95 O ATOM 1170 ND2 ASN A 126 24.134 -22.025 13.747 1.00 30.02 N ATOM 1171 HA ASN A 126 23.005 -20.362 10.351 1.00 0.00 H ATOM 1172 HB2 ASN A 126 22.391 -22.778 12.125 1.00 0.00 H ATOM 1173 HB3 ASN A 126 23.731 -22.784 10.954 1.00 0.00 H ATOM 1174 HD22 ASN A 126 23.756 -22.980 13.910 1.00 0.00 H ATOM 1175 HD21 ASN A 126 24.636 -21.527 14.510 1.00 0.00 H ATOM 1176 H ASN A 126 20.989 -20.808 12.388 1.00 0.00 H ATOM 1177 N SER A 127 20.495 -21.956 9.371 1.00 15.19 N ATOM 1178 CA SER A 127 19.922 -22.701 8.252 1.00 13.53 C ATOM 1179 C SER A 127 18.538 -22.120 7.929 1.00 13.70 C ATOM 1180 O SER A 127 17.878 -21.505 8.796 1.00 12.86 O ATOM 1181 CB SER A 127 19.797 -24.197 8.669 1.00 12.64 C ATOM 1182 OG SER A 127 18.909 -24.319 9.818 1.00 14.89 O ATOM 1183 HA SER A 127 20.555 -22.624 7.368 1.00 0.00 H ATOM 1184 HB2 SER A 127 20.782 -24.583 8.931 1.00 0.00 H ATOM 1185 HB3 SER A 127 19.392 -24.772 7.836 1.00 0.00 H ATOM 1186 HG SER A 127 19.277 -23.798 10.575 1.00 0.00 H ATOM 1187 H SER A 127 19.875 -21.472 10.052 1.00 0.00 H ATOM 1188 N LEU A 128 18.107 -22.267 6.687 1.00 12.58 N ATOM 1189 CA LEU A 128 16.719 -22.006 6.309 1.00 11.68 C ATOM 1190 C LEU A 128 15.812 -22.861 7.195 1.00 12.81 C ATOM 1191 O LEU A 128 14.754 -22.431 7.597 1.00 12.36 O ATOM 1192 CB LEU A 128 16.512 -22.467 4.874 1.00 11.95 C ATOM 1193 CG LEU A 128 17.133 -21.598 3.774 1.00 13.67 C ATOM 1194 CD1 LEU A 128 17.077 -22.433 2.403 1.00 11.39 C ATOM 1195 CD2 LEU A 128 16.420 -20.238 3.714 1.00 11.40 C ATOM 1196 HA LEU A 128 16.494 -20.945 6.416 1.00 0.00 H ATOM 1197 HB2 LEU A 128 16.936 -23.467 4.784 1.00 0.00 H ATOM 1198 HB3 LEU A 128 15.438 -22.512 4.693 1.00 0.00 H ATOM 1199 HG LEU A 128 18.178 -21.365 3.977 1.00 0.00 H ATOM 1200 HD21 LEU A 128 15.363 -20.393 3.496 1.00 0.00 H ATOM 1201 HD22 LEU A 128 16.524 -19.732 4.674 1.00 0.00 H ATOM 1202 HD23 LEU A 128 16.869 -19.628 2.930 1.00 0.00 H ATOM 1203 HD11 LEU A 128 17.641 -23.359 2.520 1.00 0.00 H ATOM 1204 HD12 LEU A 128 16.040 -22.666 2.163 1.00 0.00 H ATOM 1205 HD13 LEU A 128 17.513 -21.839 1.599 1.00 0.00 H ATOM 1206 H LEU A 128 18.777 -22.578 5.955 1.00 0.00 H ATOM 1207 N ASN A 129 16.216 -24.106 7.466 1.00 13.02 N ATOM 1208 CA ASN A 129 15.404 -25.040 8.286 1.00 13.01 C ATOM 1209 C ASN A 129 15.065 -24.404 9.665 1.00 12.46 C ATOM 1210 O ASN A 129 13.947 -24.442 10.107 1.00 12.69 O ATOM 1211 CB ASN A 129 16.217 -26.329 8.529 1.00 13.30 C ATOM 1212 CG ASN A 129 15.339 -27.525 8.963 1.00 14.58 C ATOM 1213 OD1 ASN A 129 14.188 -27.354 9.439 1.00 16.95 O ATOM 1214 ND2 ASN A 129 15.843 -28.709 8.766 1.00 12.63 N ATOM 1215 HA ASN A 129 14.478 -25.259 7.754 1.00 0.00 H ATOM 1216 HB2 ASN A 129 16.733 -26.594 7.606 1.00 0.00 H ATOM 1217 HB3 ASN A 129 16.951 -26.135 9.311 1.00 0.00 H ATOM 1218 HD22 ASN A 129 16.800 -28.808 8.370 1.00 0.00 H ATOM 1219 HD21 ASN A 129 15.289 -29.556 9.005 1.00 0.00 H ATOM 1220 H ASN A 129 17.129 -24.431 7.090 1.00 0.00 H ATOM 1221 N GLU A 130 16.069 -23.864 10.338 1.00 11.73 N ATOM 1222 CA GLU A 130 15.857 -23.213 11.612 1.00 12.85 C ATOM 1223 C GLU A 130 15.050 -21.933 11.484 1.00 12.58 C ATOM 1224 O GLU A 130 14.250 -21.648 12.381 1.00 12.44 O ATOM 1225 CB GLU A 130 17.195 -22.956 12.321 1.00 12.60 C ATOM 1226 CG GLU A 130 17.881 -24.264 12.825 1.00 15.65 C ATOM 1227 CD GLU A 130 19.376 -24.061 13.019 1.00 21.47 C ATOM 1228 OE1 GLU A 130 19.815 -23.942 14.177 1.00 20.87 O ATOM 1229 OE2 GLU A 130 20.106 -23.905 12.002 1.00 16.43 O ATOM 1230 HA GLU A 130 15.266 -23.894 12.224 1.00 0.00 H ATOM 1231 HB2 GLU A 130 17.868 -22.458 11.623 1.00 0.00 H ATOM 1232 HB3 GLU A 130 17.015 -22.306 13.177 1.00 0.00 H ATOM 1233 HG2 GLU A 130 17.435 -24.556 13.776 1.00 0.00 H ATOM 1234 HG3 GLU A 130 17.721 -25.055 12.092 1.00 0.00 H ATOM 1235 H GLU A 130 17.030 -23.909 9.943 1.00 0.00 H ATOM 1236 N LEU A 131 15.281 -21.116 10.424 1.00 13.01 N ATOM 1237 CA LEU A 131 14.470 -19.903 10.205 1.00 12.98 C ATOM 1238 C LEU A 131 12.951 -20.262 10.085 1.00 14.01 C ATOM 1239 O LEU A 131 12.054 -19.629 10.695 1.00 13.22 O ATOM 1240 CB LEU A 131 14.961 -19.170 8.930 1.00 13.34 C ATOM 1241 CG LEU A 131 14.248 -17.851 8.514 1.00 13.53 C ATOM 1242 CD1 LEU A 131 15.140 -17.135 7.550 1.00 13.28 C ATOM 1243 CD2 LEU A 131 12.833 -18.011 7.795 1.00 20.51 C ATOM 1244 HA LEU A 131 14.589 -19.241 11.063 1.00 0.00 H ATOM 1245 HB2 LEU A 131 16.015 -18.934 9.079 1.00 0.00 H ATOM 1246 HB3 LEU A 131 14.860 -19.867 8.098 1.00 0.00 H ATOM 1247 HG LEU A 131 14.059 -17.322 9.448 1.00 0.00 H ATOM 1248 HD21 LEU A 131 12.956 -18.589 6.879 1.00 0.00 H ATOM 1249 HD22 LEU A 131 12.144 -18.528 8.463 1.00 0.00 H ATOM 1250 HD23 LEU A 131 12.436 -17.025 7.554 1.00 0.00 H ATOM 1251 HD11 LEU A 131 16.092 -16.915 8.033 1.00 0.00 H ATOM 1252 HD12 LEU A 131 15.310 -17.766 6.677 1.00 0.00 H ATOM 1253 HD13 LEU A 131 14.665 -16.204 7.240 1.00 0.00 H ATOM 1254 H LEU A 131 16.043 -21.349 9.755 1.00 0.00 H ATOM 1255 N VAL A 132 12.683 -21.284 9.257 1.00 13.18 N ATOM 1256 CA VAL A 132 11.314 -21.764 9.033 1.00 12.81 C ATOM 1257 C VAL A 132 10.773 -22.197 10.371 1.00 12.10 C ATOM 1258 O VAL A 132 9.682 -21.839 10.734 1.00 13.06 O ATOM 1259 CB VAL A 132 11.313 -22.953 8.039 1.00 12.38 C ATOM 1260 CG1 VAL A 132 10.016 -23.750 8.140 1.00 15.55 C ATOM 1261 CG2 VAL A 132 11.429 -22.454 6.604 1.00 13.43 C ATOM 1262 HA VAL A 132 10.695 -20.978 8.602 1.00 0.00 H ATOM 1263 HB VAL A 132 12.164 -23.583 8.297 1.00 0.00 H ATOM 1264 HG11 VAL A 132 9.909 -24.140 9.152 1.00 0.00 H ATOM 1265 HG12 VAL A 132 9.172 -23.100 7.908 1.00 0.00 H ATOM 1266 HG13 VAL A 132 10.044 -24.578 7.431 1.00 0.00 H ATOM 1267 HG21 VAL A 132 10.584 -21.803 6.377 1.00 0.00 H ATOM 1268 HG22 VAL A 132 12.359 -21.898 6.488 1.00 0.00 H ATOM 1269 HG23 VAL A 132 11.426 -23.305 5.923 1.00 0.00 H ATOM 1270 H VAL A 132 13.469 -21.750 8.759 1.00 0.00 H ATOM 1271 N ASP A 133 11.492 -23.024 11.101 1.00 12.03 N ATOM 1272 CA ASP A 133 10.879 -23.570 12.321 1.00 13.37 C ATOM 1273 C ASP A 133 10.643 -22.531 13.391 1.00 14.00 C ATOM 1274 O ASP A 133 9.660 -22.584 14.141 1.00 13.85 O ATOM 1275 CB ASP A 133 11.711 -24.727 12.888 1.00 12.82 C ATOM 1276 CG ASP A 133 11.563 -26.020 12.070 1.00 16.08 C ATOM 1277 OD1 ASP A 133 10.665 -26.145 11.191 1.00 19.02 O ATOM 1278 OD2 ASP A 133 12.408 -26.912 12.253 1.00 16.81 O ATOM 1279 HA ASP A 133 9.900 -23.942 12.018 1.00 0.00 H ATOM 1280 HB2 ASP A 133 12.761 -24.434 12.890 1.00 0.00 H ATOM 1281 HB3 ASP A 133 11.387 -24.922 13.910 1.00 0.00 H ATOM 1282 H ASP A 133 12.461 -23.282 10.824 1.00 0.00 H ATOM 1283 N TYR A 134 11.560 -21.583 13.495 1.00 13.31 N ATOM 1284 CA TYR A 134 11.380 -20.484 14.414 1.00 12.86 C ATOM 1285 C TYR A 134 10.067 -19.774 14.117 1.00 13.12 C ATOM 1286 O TYR A 134 9.316 -19.411 15.071 1.00 13.46 O ATOM 1287 CB TYR A 134 12.512 -19.472 14.235 1.00 14.54 C ATOM 1288 CG TYR A 134 12.360 -18.217 15.105 1.00 13.57 C ATOM 1289 CD1 TYR A 134 12.741 -18.251 16.413 1.00 16.46 C ATOM 1290 CD2 TYR A 134 11.839 -17.022 14.562 1.00 16.20 C ATOM 1291 CE1 TYR A 134 12.669 -17.104 17.231 1.00 21.61 C ATOM 1292 CE2 TYR A 134 11.753 -15.861 15.344 1.00 15.39 C ATOM 1293 CZ TYR A 134 12.192 -15.918 16.676 1.00 18.29 C ATOM 1294 OH TYR A 134 12.108 -14.790 17.475 1.00 20.27 O ATOM 1295 HA TYR A 134 11.377 -20.878 15.430 1.00 0.00 H ATOM 1296 HB3 TYR A 134 12.538 -19.165 13.189 1.00 0.00 H ATOM 1297 HB2 TYR A 134 13.453 -19.958 14.493 1.00 0.00 H ATOM 1298 HD2 TYR A 134 11.501 -17.002 13.526 1.00 0.00 H ATOM 1299 HE2 TYR A 134 11.355 -14.936 14.927 1.00 0.00 H ATOM 1300 HE1 TYR A 134 12.980 -17.144 18.275 1.00 0.00 H ATOM 1301 HD1 TYR A 134 13.110 -19.185 16.837 1.00 0.00 H ATOM 1302 HH TYR A 134 12.645 -14.062 17.073 1.00 0.00 H ATOM 1303 H TYR A 134 12.418 -21.630 12.910 1.00 0.00 H ATOM 1304 N HIS A 135 9.770 -19.565 12.831 1.00 12.79 N ATOM 1305 CA HIS A 135 8.596 -18.827 12.489 1.00 12.44 C ATOM 1306 C HIS A 135 7.275 -19.630 12.453 1.00 11.47 C ATOM 1307 O HIS A 135 6.204 -19.082 12.060 1.00 13.01 O ATOM 1308 CB HIS A 135 8.820 -18.054 11.176 1.00 12.20 C ATOM 1309 CG HIS A 135 9.693 -16.856 11.368 1.00 12.21 C ATOM 1310 ND1 HIS A 135 11.013 -16.850 11.012 1.00 16.97 N ATOM 1311 CD2 HIS A 135 9.449 -15.650 11.932 1.00 12.61 C ATOM 1312 CE1 HIS A 135 11.561 -15.688 11.356 1.00 12.63 C ATOM 1313 NE2 HIS A 135 10.638 -14.949 11.909 1.00 14.34 N ATOM 1314 HA HIS A 135 8.449 -18.133 13.316 1.00 0.00 H ATOM 1315 HB2 HIS A 135 9.291 -18.720 10.452 1.00 0.00 H ATOM 1316 HB3 HIS A 135 7.854 -17.727 10.792 1.00 0.00 H ATOM 1317 HD2 HIS A 135 8.496 -15.299 12.328 1.00 0.00 H ATOM 1318 HE1 HIS A 135 12.602 -15.402 11.203 1.00 0.00 H ATOM 1319 H HIS A 135 10.390 -19.937 12.084 1.00 0.00 H ATOM 1320 N ARG A 136 7.288 -20.870 12.906 1.00 12.12 N ATOM 1321 CA ARG A 136 6.020 -21.590 13.206 1.00 12.98 C ATOM 1322 C ARG A 136 5.420 -21.075 14.525 1.00 14.26 C ATOM 1323 O ARG A 136 4.258 -21.262 14.776 1.00 13.64 O ATOM 1324 CB ARG A 136 6.315 -23.095 13.344 1.00 12.63 C ATOM 1325 CG ARG A 136 6.905 -23.653 12.023 1.00 10.76 C ATOM 1326 CD ARG A 136 7.277 -25.113 12.261 1.00 15.16 C ATOM 1327 NE ARG A 136 7.833 -25.792 11.040 1.00 15.39 N ATOM 1328 CZ ARG A 136 7.064 -26.242 10.051 1.00 15.24 C ATOM 1329 NH1 ARG A 136 5.753 -26.032 10.111 1.00 15.32 N ATOM 1330 NH2 ARG A 136 7.603 -26.861 8.977 1.00 14.74 N ATOM 1331 HA ARG A 136 5.311 -21.418 12.396 1.00 0.00 H ATOM 1332 HB2 ARG A 136 7.032 -23.248 14.151 1.00 0.00 H ATOM 1333 HB3 ARG A 136 5.390 -23.623 13.576 1.00 0.00 H ATOM 1334 HG2 ARG A 136 6.164 -23.584 11.227 1.00 0.00 H ATOM 1335 HG3 ARG A 136 7.792 -23.085 11.743 1.00 0.00 H ATOM 1336 HD2 ARG A 136 6.384 -25.650 12.579 1.00 0.00 H ATOM 1337 HD3 ARG A 136 8.026 -25.155 13.052 1.00 0.00 H ATOM 1338 HE ARG A 136 8.863 -25.915 10.965 1.00 0.00 H ATOM 1339 HH12 ARG A 136 5.136 -26.376 9.348 1.00 0.00 H ATOM 1340 HH11 ARG A 136 5.344 -25.524 10.921 1.00 0.00 H ATOM 1341 HH22 ARG A 136 6.988 -27.207 8.213 1.00 0.00 H ATOM 1342 HH21 ARG A 136 8.633 -26.992 8.915 1.00 0.00 H ATOM 1343 H ARG A 136 8.198 -21.351 13.056 1.00 0.00 H ATOM 1344 N SER A 137 6.224 -20.469 15.394 1.00 15.75 N ATOM 1345 CA SER A 137 5.657 -19.995 16.699 1.00 16.88 C ATOM 1346 C SER A 137 5.950 -18.491 16.992 1.00 16.46 C ATOM 1347 O SER A 137 5.539 -17.943 18.054 1.00 17.30 O ATOM 1348 CB SER A 137 6.097 -20.899 17.854 1.00 15.79 C ATOM 1349 OG SER A 137 7.497 -20.808 17.999 1.00 17.02 O ATOM 1350 HA SER A 137 4.573 -20.068 16.608 1.00 0.00 H ATOM 1351 HB2 SER A 137 5.818 -21.930 17.638 1.00 0.00 H ATOM 1352 HB3 SER A 137 5.612 -20.578 18.776 1.00 0.00 H ATOM 1353 HG SER A 137 7.934 -21.100 17.160 1.00 0.00 H ATOM 1354 H SER A 137 7.230 -20.326 15.172 1.00 0.00 H ATOM 1355 N THR A 138 6.661 -17.819 16.067 1.00 16.39 N ATOM 1356 CA THR A 138 6.831 -16.376 16.099 1.00 15.53 C ATOM 1357 C THR A 138 6.359 -15.840 14.736 1.00 16.54 C ATOM 1358 O THR A 138 6.802 -16.335 13.697 1.00 14.36 O ATOM 1359 CB THR A 138 8.289 -15.925 16.389 1.00 16.95 C ATOM 1360 OG1 THR A 138 8.659 -16.345 17.699 1.00 16.76 O ATOM 1361 CG2 THR A 138 8.518 -14.405 16.268 1.00 13.73 C ATOM 1362 HA THR A 138 6.243 -15.971 16.923 1.00 0.00 H ATOM 1363 HB THR A 138 8.909 -16.393 15.624 1.00 0.00 H ATOM 1364 HG1 THR A 138 8.598 -17.331 17.757 1.00 0.00 H ATOM 1365 HG23 THR A 138 8.237 -14.075 15.268 1.00 0.00 H ATOM 1366 HG21 THR A 138 7.908 -13.887 17.008 1.00 0.00 H ATOM 1367 HG22 THR A 138 9.571 -14.182 16.443 1.00 0.00 H ATOM 1368 H THR A 138 7.108 -18.356 15.296 1.00 0.00 H ATOM 1369 N SER A 139 5.508 -14.801 14.752 1.00 14.16 N ATOM 1370 CA SER A 139 4.972 -14.270 13.468 1.00 15.41 C ATOM 1371 C SER A 139 6.034 -13.881 12.444 1.00 15.93 C ATOM 1372 O SER A 139 7.067 -13.264 12.780 1.00 15.90 O ATOM 1373 CB SER A 139 4.015 -13.061 13.687 1.00 14.44 C ATOM 1374 OG SER A 139 3.322 -12.763 12.481 1.00 12.93 O ATOM 1375 HA SER A 139 4.420 -15.114 13.053 1.00 0.00 H ATOM 1376 HB2 SER A 139 4.596 -12.191 13.994 1.00 0.00 H ATOM 1377 HB3 SER A 139 3.294 -13.308 14.466 1.00 0.00 H ATOM 1378 HG SER A 139 2.717 -11.994 12.631 1.00 0.00 H ATOM 1379 H SER A 139 5.225 -14.370 15.655 1.00 0.00 H ATOM 1380 N VAL A 140 5.801 -14.269 11.192 1.00 15.23 N ATOM 1381 CA VAL A 140 6.592 -13.735 10.087 1.00 15.94 C ATOM 1382 C VAL A 140 6.290 -12.274 9.813 1.00 15.73 C ATOM 1383 O VAL A 140 7.105 -11.618 9.185 1.00 15.88 O ATOM 1384 CB VAL A 140 6.406 -14.558 8.748 1.00 15.01 C ATOM 1385 CG1 VAL A 140 7.038 -15.910 8.935 1.00 16.21 C ATOM 1386 CG2 VAL A 140 4.890 -14.637 8.238 1.00 14.28 C ATOM 1387 HA VAL A 140 7.628 -13.828 10.413 1.00 0.00 H ATOM 1388 HB VAL A 140 6.912 -14.028 7.941 1.00 0.00 H ATOM 1389 HG11 VAL A 140 8.098 -15.787 9.155 1.00 0.00 H ATOM 1390 HG12 VAL A 140 6.551 -16.426 9.763 1.00 0.00 H ATOM 1391 HG13 VAL A 140 6.921 -16.494 8.022 1.00 0.00 H ATOM 1392 HG21 VAL A 140 4.276 -15.118 9.000 1.00 0.00 H ATOM 1393 HG22 VAL A 140 4.518 -13.630 8.052 1.00 0.00 H ATOM 1394 HG23 VAL A 140 4.848 -15.217 7.316 1.00 0.00 H ATOM 1395 H VAL A 140 5.048 -14.960 10.999 1.00 0.00 H ATOM 1396 N SER A 141 5.107 -11.774 10.235 1.00 15.35 N ATOM 1397 CA SER A 141 4.633 -10.472 9.811 1.00 14.17 C ATOM 1398 C SER A 141 4.674 -9.470 10.978 1.00 16.05 C ATOM 1399 O SER A 141 4.488 -9.860 12.158 1.00 14.82 O ATOM 1400 CB SER A 141 3.221 -10.590 9.265 1.00 15.44 C ATOM 1401 OG SER A 141 2.642 -9.304 9.071 1.00 15.71 O ATOM 1402 HA SER A 141 5.289 -10.102 9.023 1.00 0.00 H ATOM 1403 HB2 SER A 141 2.611 -11.153 9.971 1.00 0.00 H ATOM 1404 HB3 SER A 141 3.250 -11.116 8.311 1.00 0.00 H ATOM 1405 HG SER A 141 3.191 -8.790 8.427 1.00 0.00 H ATOM 1406 H SER A 141 4.521 -12.339 10.882 1.00 0.00 H ATOM 1407 N ARG A 142 4.952 -8.201 10.634 1.00 15.39 N ATOM 1408 CA ARG A 142 4.864 -7.104 11.586 1.00 16.44 C ATOM 1409 C ARG A 142 3.480 -6.443 11.546 1.00 16.83 C ATOM 1410 O ARG A 142 3.234 -5.511 12.299 1.00 17.03 O ATOM 1411 CB ARG A 142 5.923 -6.086 11.236 1.00 15.76 C ATOM 1412 CG ARG A 142 7.314 -6.574 11.588 1.00 17.89 C ATOM 1413 CD ARG A 142 8.291 -5.363 11.591 1.00 24.46 C ATOM 1414 NE ARG A 142 9.566 -5.769 12.228 1.00 33.08 N ATOM 1415 CZ ARG A 142 10.730 -5.132 12.079 1.00 31.10 C ATOM 1416 NH1 ARG A 142 10.772 -4.045 11.295 1.00 31.88 N ATOM 1417 NH2 ARG A 142 11.852 -5.602 12.670 1.00 28.10 N ATOM 1418 HA ARG A 142 5.019 -7.492 12.593 1.00 0.00 H ATOM 1419 HB2 ARG A 142 5.880 -5.886 10.165 1.00 0.00 H ATOM 1420 HB3 ARG A 142 5.723 -5.166 11.785 1.00 0.00 H ATOM 1421 HG2 ARG A 142 7.301 -7.035 12.575 1.00 0.00 H ATOM 1422 HG3 ARG A 142 7.642 -7.307 10.850 1.00 0.00 H ATOM 1423 HD2 ARG A 142 7.849 -4.539 12.151 1.00 0.00 H ATOM 1424 HD3 ARG A 142 8.480 -5.044 10.566 1.00 0.00 H ATOM 1425 HE ARG A 142 9.553 -6.613 12.836 1.00 0.00 H ATOM 1426 HH12 ARG A 142 11.667 -3.533 11.164 1.00 0.00 H ATOM 1427 HH11 ARG A 142 9.909 -3.714 10.818 1.00 0.00 H ATOM 1428 HH22 ARG A 142 12.754 -5.099 12.548 1.00 0.00 H ATOM 1429 HH21 ARG A 142 11.813 -6.467 13.247 1.00 0.00 H ATOM 1430 H ARG A 142 5.239 -7.996 9.656 1.00 0.00 H ATOM 1431 N ASN A 143 2.571 -6.917 10.687 1.00 16.19 N ATOM 1432 CA ASN A 143 1.234 -6.305 10.580 1.00 16.51 C ATOM 1433 C ASN A 143 0.135 -7.271 10.998 1.00 17.28 C ATOM 1434 O ASN A 143 -0.994 -6.840 11.280 1.00 17.08 O ATOM 1435 CB ASN A 143 0.916 -5.974 9.132 1.00 18.68 C ATOM 1436 CG ASN A 143 1.805 -4.927 8.573 1.00 25.19 C ATOM 1437 OD1 ASN A 143 2.265 -4.065 9.288 1.00 29.71 O ATOM 1438 ND2 ASN A 143 2.052 -5.000 7.257 1.00 32.55 N ATOM 1439 HA ASN A 143 1.260 -5.424 11.222 1.00 0.00 H ATOM 1440 HB2 ASN A 143 1.026 -6.880 8.535 1.00 0.00 H ATOM 1441 HB3 ASN A 143 -0.115 -5.624 9.073 1.00 0.00 H ATOM 1442 HD22 ASN A 143 1.630 -5.763 6.690 1.00 0.00 H ATOM 1443 HD21 ASN A 143 2.666 -4.294 6.803 1.00 0.00 H ATOM 1444 H ASN A 143 2.811 -7.730 10.085 1.00 0.00 H ATOM 1445 N GLN A 144 0.427 -8.575 10.977 1.00 15.68 N ATOM 1446 CA GLN A 144 -0.568 -9.580 11.421 1.00 16.31 C ATOM 1447 C GLN A 144 0.161 -10.697 12.133 1.00 15.54 C ATOM 1448 O GLN A 144 1.384 -10.889 11.954 1.00 15.05 O ATOM 1449 CB GLN A 144 -1.283 -10.258 10.229 1.00 17.24 C ATOM 1450 CG GLN A 144 -2.107 -9.283 9.303 1.00 18.98 C ATOM 1451 CD GLN A 144 -1.269 -8.761 8.153 1.00 23.62 C ATOM 1452 OE1 GLN A 144 -0.228 -9.329 7.830 1.00 26.53 O ATOM 1453 NE2 GLN A 144 -1.729 -7.689 7.508 1.00 26.97 N ATOM 1454 HA GLN A 144 -1.291 -9.058 12.048 1.00 0.00 H ATOM 1455 HB2 GLN A 144 -0.527 -10.749 9.616 1.00 0.00 H ATOM 1456 HB3 GLN A 144 -1.968 -11.006 10.627 1.00 0.00 H ATOM 1457 HG2 GLN A 144 -2.966 -9.820 8.900 1.00 0.00 H ATOM 1458 HG3 GLN A 144 -2.455 -8.439 9.899 1.00 0.00 H ATOM 1459 HE22 GLN A 144 -2.615 -7.238 7.814 1.00 0.00 H ATOM 1460 HE21 GLN A 144 -1.202 -7.303 6.699 1.00 0.00 H ATOM 1461 H GLN A 144 1.362 -8.888 10.646 1.00 0.00 H ATOM 1462 N GLN A 145 -0.609 -11.501 12.869 1.00 13.29 N ATOM 1463 CA GLN A 145 -0.054 -12.660 13.520 1.00 14.03 C ATOM 1464 C GLN A 145 -0.180 -13.786 12.502 1.00 15.47 C ATOM 1465 O GLN A 145 -1.275 -14.292 12.291 1.00 15.09 O ATOM 1466 CB GLN A 145 -0.785 -12.982 14.840 1.00 13.40 C ATOM 1467 CG GLN A 145 -0.457 -11.972 15.972 1.00 15.08 C ATOM 1468 CD GLN A 145 1.012 -12.026 16.333 1.00 15.80 C ATOM 1469 OE1 GLN A 145 1.832 -11.437 15.632 1.00 15.08 O ATOM 1470 NE2 GLN A 145 1.362 -12.747 17.406 1.00 15.86 N ATOM 1471 HA GLN A 145 0.984 -12.502 13.812 1.00 0.00 H ATOM 1472 HB2 GLN A 145 -1.859 -12.963 14.657 1.00 0.00 H ATOM 1473 HB3 GLN A 145 -0.491 -13.979 15.167 1.00 0.00 H ATOM 1474 HG2 GLN A 145 -0.706 -10.965 15.636 1.00 0.00 H ATOM 1475 HG3 GLN A 145 -1.051 -12.217 16.853 1.00 0.00 H ATOM 1476 HE22 GLN A 145 0.632 -13.228 17.970 1.00 0.00 H ATOM 1477 HE21 GLN A 145 2.363 -12.825 17.676 1.00 0.00 H ATOM 1478 H GLN A 145 -1.622 -11.288 12.974 1.00 0.00 H ATOM 1479 N ILE A 146 0.929 -14.140 11.853 1.00 13.21 N ATOM 1480 CA ILE A 146 0.893 -15.209 10.859 1.00 15.06 C ATOM 1481 C ILE A 146 1.983 -16.183 11.205 1.00 14.92 C ATOM 1482 O ILE A 146 3.167 -15.815 11.194 1.00 14.28 O ATOM 1483 CB ILE A 146 1.158 -14.655 9.434 1.00 16.26 C ATOM 1484 CG1 ILE A 146 0.125 -13.583 9.066 1.00 17.12 C ATOM 1485 CG2 ILE A 146 1.193 -15.850 8.390 1.00 14.14 C ATOM 1486 CD1 ILE A 146 0.381 -12.915 7.702 1.00 15.42 C ATOM 1487 HA ILE A 146 -0.090 -15.679 10.867 1.00 0.00 H ATOM 1488 HB ILE A 146 2.133 -14.168 9.410 1.00 0.00 H ATOM 1489 HG12 ILE A 146 -0.860 -14.049 9.041 1.00 0.00 H ATOM 1490 HG13 ILE A 146 0.141 -12.811 9.835 1.00 0.00 H ATOM 1491 HD11 ILE A 146 1.359 -12.433 7.713 1.00 0.00 H ATOM 1492 HD12 ILE A 146 0.356 -13.672 6.918 1.00 0.00 H ATOM 1493 HD13 ILE A 146 -0.391 -12.169 7.513 1.00 0.00 H ATOM 1494 HG21 ILE A 146 1.988 -16.544 8.661 1.00 0.00 H ATOM 1495 HG22 ILE A 146 0.235 -16.370 8.403 1.00 0.00 H ATOM 1496 HG23 ILE A 146 1.379 -15.453 7.392 1.00 0.00 H ATOM 1497 H ILE A 146 1.825 -13.652 12.056 1.00 0.00 H ATOM 1498 N PHE A 147 1.605 -17.434 11.455 1.00 14.99 N ATOM 1499 CA PHE A 147 2.572 -18.445 11.873 1.00 15.27 C ATOM 1500 C PHE A 147 2.641 -19.491 10.781 1.00 14.59 C ATOM 1501 O PHE A 147 1.599 -19.958 10.288 1.00 14.42 O ATOM 1502 CB PHE A 147 2.139 -19.086 13.182 1.00 15.47 C ATOM 1503 CG PHE A 147 2.005 -18.101 14.308 1.00 16.71 C ATOM 1504 CD1 PHE A 147 0.768 -17.455 14.580 1.00 17.33 C ATOM 1505 CD2 PHE A 147 3.112 -17.739 15.023 1.00 15.74 C ATOM 1506 CE1 PHE A 147 0.665 -16.505 15.609 1.00 16.27 C ATOM 1507 CE2 PHE A 147 3.017 -16.726 16.083 1.00 16.33 C ATOM 1508 CZ PHE A 147 1.793 -16.140 16.365 1.00 16.63 C ATOM 1509 HA PHE A 147 3.549 -17.989 12.032 1.00 0.00 H ATOM 1510 HB2 PHE A 147 1.175 -19.570 13.028 1.00 0.00 H ATOM 1511 HB3 PHE A 147 2.880 -19.835 13.463 1.00 0.00 H ATOM 1512 HD2 PHE A 147 4.073 -18.205 14.805 1.00 0.00 H ATOM 1513 HE2 PHE A 147 3.905 -16.437 16.645 1.00 0.00 H ATOM 1514 HZ PHE A 147 1.706 -15.404 17.164 1.00 0.00 H ATOM 1515 HE1 PHE A 147 -0.300 -16.046 15.824 1.00 0.00 H ATOM 1516 HD1 PHE A 147 -0.110 -17.700 13.983 1.00 0.00 H ATOM 1517 H PHE A 147 0.604 -17.696 11.351 1.00 0.00 H ATOM 1518 N LEU A 148 3.869 -19.862 10.427 1.00 14.28 N ATOM 1519 CA LEU A 148 4.109 -20.797 9.345 1.00 12.53 C ATOM 1520 C LEU A 148 3.500 -22.151 9.691 1.00 14.70 C ATOM 1521 O LEU A 148 3.661 -22.635 10.817 1.00 12.89 O ATOM 1522 CB LEU A 148 5.650 -20.955 9.098 1.00 11.00 C ATOM 1523 CG LEU A 148 6.372 -19.673 8.634 1.00 12.02 C ATOM 1524 CD1 LEU A 148 7.754 -20.002 8.208 1.00 9.88 C ATOM 1525 CD2 LEU A 148 5.600 -19.034 7.432 1.00 13.29 C ATOM 1526 HA LEU A 148 3.644 -20.414 8.437 1.00 0.00 H ATOM 1527 HB2 LEU A 148 6.110 -21.284 10.030 1.00 0.00 H ATOM 1528 HB3 LEU A 148 5.793 -21.719 8.334 1.00 0.00 H ATOM 1529 HG LEU A 148 6.404 -18.965 9.462 1.00 0.00 H ATOM 1530 HD21 LEU A 148 5.562 -19.745 6.607 1.00 0.00 H ATOM 1531 HD22 LEU A 148 4.586 -18.784 7.745 1.00 0.00 H ATOM 1532 HD23 LEU A 148 6.116 -18.129 7.110 1.00 0.00 H ATOM 1533 HD11 LEU A 148 8.297 -20.439 9.046 1.00 0.00 H ATOM 1534 HD12 LEU A 148 7.719 -20.715 7.384 1.00 0.00 H ATOM 1535 HD13 LEU A 148 8.258 -19.093 7.882 1.00 0.00 H ATOM 1536 H LEU A 148 4.682 -19.469 10.943 1.00 0.00 H ATOM 1537 N ARG A 149 2.795 -22.742 8.732 1.00 12.98 N ATOM 1538 CA ARG A 149 2.327 -24.126 8.905 1.00 15.06 C ATOM 1539 C ARG A 149 2.471 -24.829 7.583 1.00 16.14 C ATOM 1540 O ARG A 149 2.406 -24.233 6.545 1.00 15.81 O ATOM 1541 CB ARG A 149 0.867 -24.189 9.343 1.00 16.39 C ATOM 1542 CG ARG A 149 0.024 -23.260 8.523 1.00 16.07 C ATOM 1543 CD ARG A 149 -1.501 -23.374 8.984 1.00 19.50 C ATOM 1544 NE ARG A 149 -1.995 -24.751 8.778 1.00 25.31 N ATOM 1545 CZ ARG A 149 -2.956 -25.321 9.513 1.00 32.65 C ATOM 1546 NH1 ARG A 149 -3.519 -24.651 10.519 1.00 35.71 N ATOM 1547 NH2 ARG A 149 -3.373 -26.551 9.260 1.00 34.68 N ATOM 1548 HA ARG A 149 2.924 -24.601 9.684 1.00 0.00 H ATOM 1549 HB2 ARG A 149 0.500 -25.208 9.219 1.00 0.00 H ATOM 1550 HB3 ARG A 149 0.796 -23.904 10.393 1.00 0.00 H ATOM 1551 HG2 ARG A 149 0.370 -22.236 8.663 1.00 0.00 H ATOM 1552 HG3 ARG A 149 0.106 -23.529 7.470 1.00 0.00 H ATOM 1553 HD2 ARG A 149 -2.107 -22.682 8.399 1.00 0.00 H ATOM 1554 HD3 ARG A 149 -1.578 -23.118 10.041 1.00 0.00 H ATOM 1555 HE ARG A 149 -1.569 -25.312 8.013 1.00 0.00 H ATOM 1556 HH12 ARG A 149 -4.266 -25.098 11.088 1.00 0.00 H ATOM 1557 HH11 ARG A 149 -3.211 -23.681 10.735 1.00 0.00 H ATOM 1558 HH22 ARG A 149 -4.122 -26.977 9.843 1.00 0.00 H ATOM 1559 HH21 ARG A 149 -2.952 -27.092 8.478 1.00 0.00 H ATOM 1560 H ARG A 149 2.574 -22.225 7.857 1.00 0.00 H ATOM 1561 N ASP A 150 2.679 -26.123 7.609 1.00 17.35 N ATOM 1562 CA ASP A 150 2.977 -26.799 6.368 1.00 17.82 C ATOM 1563 C ASP A 150 1.782 -26.787 5.449 1.00 17.40 C ATOM 1564 O ASP A 150 0.644 -26.857 5.927 1.00 17.06 O ATOM 1565 CB ASP A 150 3.272 -28.270 6.682 1.00 19.63 C ATOM 1566 CG ASP A 150 4.643 -28.470 7.372 1.00 25.11 C ATOM 1567 OD1 ASP A 150 5.463 -27.522 7.372 1.00 24.57 O ATOM 1568 OD2 ASP A 150 4.825 -29.571 7.917 1.00 28.44 O ATOM 1569 HA ASP A 150 3.819 -26.294 5.894 1.00 0.00 H ATOM 1570 HB2 ASP A 150 2.491 -28.650 7.341 1.00 0.00 H ATOM 1571 HB3 ASP A 150 3.265 -28.834 5.749 1.00 0.00 H ATOM 1572 H ASP A 150 2.630 -26.651 8.504 1.00 0.00 H ATOM 1573 N ILE A 151 2.038 -26.847 4.148 1.00 16.25 N ATOM 1574 CA ILE A 151 0.941 -26.933 3.158 1.00 16.88 C ATOM 1575 C ILE A 151 0.146 -28.251 3.418 1.00 19.20 C ATOM 1576 O ILE A 151 0.715 -29.210 3.989 1.00 18.56 O ATOM 1577 CB ILE A 151 1.485 -26.950 1.752 1.00 16.45 C ATOM 1578 CG1 ILE A 151 2.706 -27.880 1.678 1.00 20.64 C ATOM 1579 CG2 ILE A 151 1.921 -25.522 1.350 1.00 13.54 C ATOM 1580 CD1 ILE A 151 3.118 -28.253 0.300 1.00 27.62 C ATOM 1581 HA ILE A 151 0.294 -26.062 3.264 1.00 0.00 H ATOM 1582 HB ILE A 151 0.709 -27.307 1.075 1.00 0.00 H ATOM 1583 HG12 ILE A 151 3.545 -27.378 2.160 1.00 0.00 H ATOM 1584 HG13 ILE A 151 2.470 -28.795 2.222 1.00 0.00 H ATOM 1585 HD11 ILE A 151 2.296 -28.770 -0.196 1.00 0.00 H ATOM 1586 HD12 ILE A 151 3.372 -27.352 -0.258 1.00 0.00 H ATOM 1587 HD13 ILE A 151 3.986 -28.910 0.347 1.00 0.00 H ATOM 1588 HG21 ILE A 151 1.061 -24.854 1.399 1.00 0.00 H ATOM 1589 HG22 ILE A 151 2.694 -25.173 2.035 1.00 0.00 H ATOM 1590 HG23 ILE A 151 2.314 -25.536 0.333 1.00 0.00 H ATOM 1591 H ILE A 151 3.025 -26.833 3.819 1.00 0.00 H ATOM 1592 N GLU A 152 -1.146 -28.256 3.116 1.00 20.86 N ATOM 1593 CA GLU A 152 -1.959 -29.462 3.262 1.00 26.81 C ATOM 1594 C GLU A 152 -1.339 -30.684 2.567 1.00 31.91 C ATOM 1595 O GLU A 152 -1.092 -31.741 3.213 1.00 32.94 O ATOM 1596 CB GLU A 152 -3.341 -29.220 2.669 1.00 26.37 C ATOM 1597 CG GLU A 152 -4.132 -28.094 3.289 1.00 24.11 C ATOM 1598 CD GLU A 152 -5.204 -27.475 2.325 1.00 20.31 C ATOM 1599 OE1 GLU A 152 -5.464 -27.966 1.224 1.00 28.51 O ATOM 1600 OE2 GLU A 152 -5.771 -26.493 2.633 1.00 8.22 O ATOM 1601 HA GLU A 152 -2.018 -29.676 4.329 1.00 0.00 H ATOM 1602 HB2 GLU A 152 -3.217 -28.998 1.609 1.00 0.00 H ATOM 1603 HB3 GLU A 152 -3.919 -30.137 2.781 1.00 0.00 H ATOM 1604 HG2 GLU A 152 -4.643 -28.477 4.173 1.00 0.00 H ATOM 1605 HG3 GLU A 152 -3.438 -27.307 3.584 1.00 0.00 H ATOM 1606 H GLU A 152 -1.590 -27.382 2.768 1.00 0.00 H ATOM 1607 N GLN A 153 -1.133 -30.540 1.256 1.00 38.40 N ATOM 1608 CA GLN A 153 -0.558 -31.579 0.318 1.00 45.11 C ATOM 1609 C GLN A 153 -1.520 -32.446 -0.601 1.00 48.07 C ATOM 1610 O GLN A 153 -2.327 -33.294 -0.098 1.00 49.32 O ATOM 1611 CB GLN A 153 0.490 -32.488 0.997 1.00 46.10 C ATOM 1612 CG GLN A 153 1.511 -33.043 0.002 1.00 50.44 C ATOM 1613 CD GLN A 153 2.929 -33.059 0.598 1.00 57.06 C ATOM 1614 OE1 GLN A 153 3.913 -33.437 -0.086 1.00 58.85 O ATOM 1615 NE2 GLN A 153 3.039 -32.659 1.889 1.00 54.89 N ATOM 1616 HA GLN A 153 -0.096 -30.906 -0.404 1.00 0.00 H ATOM 1617 HB2 GLN A 153 1.018 -31.909 1.755 1.00 0.00 H ATOM 1618 HB3 GLN A 153 -0.025 -33.322 1.473 1.00 0.00 H ATOM 1619 HG2 GLN A 153 1.228 -34.061 -0.266 1.00 0.00 H ATOM 1620 HG3 GLN A 153 1.509 -32.420 -0.892 1.00 0.00 H ATOM 1621 HE22 GLN A 153 2.194 -32.355 2.413 1.00 0.00 H ATOM 1622 HE21 GLN A 153 3.969 -32.656 2.355 1.00 0.00 H ATOM 1623 H GLN A 153 -1.393 -29.624 0.838 1.00 0.00 H ATOM 1624 N VAL A 154 -1.351 -32.262 -1.929 1.00 50.40 N ATOM 1625 CA VAL A 154 -2.068 -33.006 -3.020 1.00 52.09 C ATOM 1626 C VAL A 154 -1.963 -34.541 -2.902 1.00 52.00 C ATOM 1627 O VAL A 154 -2.908 -35.198 -2.478 1.00 52.15 O ATOM 1628 CB VAL A 154 -1.666 -32.472 -4.514 1.00 53.04 C ATOM 1629 CG1 VAL A 154 -0.259 -33.022 -5.025 1.00 53.47 C ATOM 1630 CG2 VAL A 154 -2.819 -32.700 -5.563 1.00 52.19 C ATOM 1631 HA VAL A 154 -3.123 -32.775 -2.873 1.00 0.00 H ATOM 1632 HB VAL A 154 -1.540 -31.394 -4.417 1.00 0.00 H ATOM 1633 HG11 VAL A 154 0.526 -32.701 -4.340 1.00 0.00 H ATOM 1634 HG12 VAL A 154 -0.288 -34.111 -5.062 1.00 0.00 H ATOM 1635 HG13 VAL A 154 -0.056 -32.628 -6.021 1.00 0.00 H ATOM 1636 HG21 VAL A 154 -3.039 -33.765 -5.633 1.00 0.00 H ATOM 1637 HG22 VAL A 154 -3.712 -32.164 -5.242 1.00 0.00 H ATOM 1638 HG23 VAL A 154 -2.501 -32.328 -6.537 1.00 0.00 H ATOM 1639 H VAL A 154 -0.662 -31.540 -2.223 1.00 0.00 H TER 1640 VAL A 154 HETATM 1641 O HOH 1 5.086 -7.639 7.721 1.00 17.07 O HETATM 1642 O HOH 2 2.870 -8.717 6.608 1.00 21.21 O HETATM 1643 O HOH 3 1.090 -6.618 5.523 1.00 21.24 O HETATM 1644 O HOH 4 11.331 -14.715 -8.195 1.00 16.20 O HETATM 1645 O HOH 5 11.092 -17.974 -7.221 1.00 14.06 O HETATM 1646 O HOH 6 9.620 -15.324 -10.148 1.00 16.05 O HETATM 1647 O HOH 7 6.592 -14.890 -11.468 1.00 18.84 O HETATM 1648 O HOH 8 14.273 -9.226 -5.838 1.00 15.58 O HETATM 1649 O HOH 9 17.054 -12.087 -0.226 1.00 17.00 O HETATM 1650 O HOH 10 18.580 -15.840 0.647 1.00 12.68 O HETATM 1651 O HOH 11 21.387 -16.058 -0.178 1.00 25.05 O HETATM 1652 O HOH 12 1.131 -11.033 -3.705 1.00 35.20 O HETATM 1653 O HOH 13 18.854 -20.111 -4.411 1.00 16.68 O HETATM 1654 O HOH 14 20.799 -10.030 -1.045 1.00 29.24 O HETATM 1655 O HOH 15 22.597 -14.142 -4.354 1.00 26.03 O HETATM 1656 O HOH 16 17.144 -18.472 -9.534 1.00 27.90 O HETATM 1657 O HOH 17 4.715 -26.176 3.358 1.00 21.47 O HETATM 1658 O HOH 18 -1.706 -9.511 3.098 1.00 26.41 O HETATM 1659 O HOH 19 -6.962 -19.473 8.240 1.00 20.88 O HETATM 1660 O HOH 20 -5.505 -16.026 10.319 1.00 22.45 O HETATM 1661 O HOH 21 -2.617 -15.986 10.452 1.00 22.30 O HETATM 1662 O HOH 22 -1.276 -18.044 11.323 1.00 23.15 O HETATM 1663 O HOH 23 20.846 -10.627 1.555 1.00 29.32 O HETATM 1664 O HOH 24 21.538 -8.464 4.532 1.00 30.39 O HETATM 1665 O HOH 25 26.892 -14.280 12.182 1.00 19.72 O HETATM 1666 O HOH 26 14.236 -13.167 11.272 1.00 20.98 O HETATM 1667 O HOH 27 19.084 -17.032 16.785 1.00 26.02 O HETATM 1668 O HOH 28 20.333 -21.060 14.220 1.00 24.96 O HETATM 1669 O HOH 29 12.467 -29.309 10.995 1.00 22.86 O HETATM 1670 O HOH 30 10.458 -27.751 9.080 1.00 17.60 O HETATM 1671 O HOH 31 14.622 -22.637 15.023 1.00 25.49 O HETATM 1672 O HOH 32 9.614 -18.947 17.638 1.00 19.29 O HETATM 1673 O HOH 33 1.768 -22.135 15.333 1.00 23.51 O HETATM 1674 O HOH 34 2.466 -27.501 10.335 1.00 19.78 O HETATM 1675 O HOH 35 -0.860 -14.703 18.400 1.00 25.91 O HETATM 1676 O HOH 36 -2.369 -23.841 -13.564 1.00 26.32 O HETATM 1677 O HOH 37 -2.343 -25.682 -2.993 1.00 22.67 O HETATM 1678 O HOH 38 -3.700 -24.922 4.103 1.00 17.94 O HETATM 1679 O HOH 39 -1.980 -25.923 6.207 1.00 24.18 O HETATM 1680 O HOH 40 -3.307 -28.580 7.012 1.00 39.02 O HETATM 1681 O HOH 41 -4.022 -21.210 10.080 1.00 25.42 O HETATM 1682 O HOH 42 14.778 -4.558 3.051 1.00 28.85 O HETATM 1683 O HOH 43 15.039 -5.861 8.969 1.00 34.70 O HETATM 1684 O HOH 44 17.737 -18.183 -6.273 1.00 23.93 O HETATM 1685 O HOH 45 -7.442 -14.037 7.301 1.00 22.11 O HETATM 1686 O HOH 46 27.519 -9.804 9.763 1.00 35.74 O HETATM 1687 O HOH 47 17.829 -6.223 10.896 1.00 31.57 O HETATM 1688 O HOH 48 15.079 -26.715 12.957 1.00 27.13 O HETATM 1689 O HOH 49 11.247 -7.847 14.724 1.00 34.62 O HETATM 1690 O HOH 50 -2.798 -15.786 14.228 1.00 17.25 O HETATM 1691 O HOH 51 -0.352 -28.121 8.242 1.00 33.15 O HETATM 1692 O HOH 52 1.098 -8.591 0.080 1.00 45.76 O HETATM 1693 O HOH 53 14.273 -6.912 6.988 1.00 22.91 O HETATM 1694 O HOH 54 14.745 -33.683 7.618 1.00 43.55 O HETATM 1695 O HOH 55 9.190 -33.607 7.167 1.00 24.57 O HETATM 1696 O HOH 56 16.793 -17.381 -12.373 1.00 22.24 O HETATM 1697 O HOH 57 3.209 -10.739 -6.989 1.00 16.41 O HETATM 1698 O HOH 58 -4.842 -20.141 -7.332 1.00 12.10 O HETATM 1699 O HOH 59 -7.159 -19.881 -6.568 1.00 18.61 O HETATM 1700 O HOH 60 -4.204 -23.697 -9.689 1.00 20.39 O HETATM 1701 O HOH 61 -4.601 -16.358 -0.917 1.00 20.37 O HETATM 1702 O HOH 62 -7.157 -16.790 -2.628 1.00 24.24 O HETATM 1703 O HOH 63 21.908 -18.362 15.052 1.00 34.71 O HETATM 1704 O HOH 64 2.593 -31.055 3.991 1.00 25.06 O HETATM 1705 O HOH 65 3.874 -3.558 5.059 1.00 20.45 O HETATM 1706 O HOH 66 9.332 -2.721 9.708 1.00 35.72 O HETATM 1707 O HOH 67 3.888 -16.510 19.664 1.00 18.80 O HETATM 1708 O HOH 68 8.974 -22.872 16.773 1.00 27.05 O HETATM 1709 O HOH 69 7.115 -18.219 20.886 1.00 41.46 O HETATM 1710 O HOH 70 11.932 -12.720 12.234 1.00 22.30 O HETATM 1711 O HOH 71 8.435 -11.076 13.923 1.00 48.23 O HETATM 1712 O HOH 72 9.091 -8.678 13.731 1.00 41.89 O HETATM 1713 O HOH 73 27.423 -10.871 12.211 1.00 38.93 O HETATM 1714 O HOH 74 -5.240 -31.363 4.408 1.00 31.42 O HETATM 1715 O HOH 75 7.069 -30.598 8.624 1.00 16.95 O HETATM 1716 O HOH 76 -6.554 -29.271 6.035 1.00 28.81 O HETATM 1717 O HOH 77 -0.640 -25.820 -7.812 1.00 30.48 O HETATM 1718 O HOH 78 -1.012 -27.053 -5.327 1.00 27.22 O HETATM 1719 O HOH 79 9.355 -31.332 7.656 1.00 37.80 O HETATM 1720 O HOH 80 16.988 -28.220 12.258 1.00 30.00 O HETATM 1721 O HOH 81 11.237 -12.340 16.584 1.00 15.96 O HETATM 1722 O HOH 82 -4.813 -30.252 0.144 1.00 20.30 O HETATM 1723 O HOH 83 1.704 -23.338 12.999 1.00 36.10 O HETATM 1724 O HOH 84 -0.633 -20.810 10.977 1.00 22.63 O HETATM 1725 O HOH 85 0.952 -22.488 -14.650 1.00 45.48 O HETATM 1726 O HOH 86 13.006 -11.065 14.237 1.00 22.13 O HETATM 1727 O HOH 87 3.733 -25.710 12.510 1.00 23.28 O HETATM 1728 O HOH 88 9.634 -10.769 -8.763 1.00 27.29 O HETATM 1729 O HOH 89 4.671 -9.429 -0.727 1.00 18.70 O HETATM 1730 O HOH 90 5.924 -5.069 6.579 1.00 20.74 O HETATM 1731 O HOH 91 9.737 -4.769 -2.020 1.00 25.40 O HETATM 1732 O HOH 92 9.025 -8.574 -7.640 1.00 47.67 O HETATM 1733 C ACE A 93 7.416 -7.566 -2.402 1.00 0.18 C HETATM 1734 O ACE A 93 6.901 -8.689 -2.458 1.00 -0.40 O HETATM 1735 CH3 ACE A 93 7.233 -6.576 -3.580 1.00 0.03 C HETATM 1736 H1 ACE A 93 7.757 -5.636 -3.354 1.00 0.05 H HETATM 1737 H2 ACE A 93 6.162 -6.373 -3.725 1.00 0.05 H HETATM 1738 H3 ACE A 93 7.650 -7.017 -4.497 1.00 0.05 H HETATM 1739 N ACE A 93 8.132 -7.119 -1.355 1.00 -0.26 N HETATM 1740 CA ACE A 93 8.397 -8.000 -0.186 1.00 0.15 C HETATM 1741 C ACE A 93 8.015 -7.241 1.077 1.00 0.20 C HETATM 1742 O ACE A 93 8.306 -6.061 1.203 1.00 -0.39 O HETATM 1743 N ACE A 93 7.364 -7.949 1.991 1.00 -0.27 N HETATM 1744 CA ACE A 93 6.876 -7.385 3.255 1.00 0.13 C HETATM 1745 CB ACE A 93 6.324 -8.490 4.174 1.00 -0.02 C HETATM 1746 CG ACE A 93 5.038 -9.139 3.564 1.00 -0.05 C HETATM 1747 CD ACE A 93 3.917 -8.102 3.288 1.00 -0.05 C HETATM 1748 CE ACE A 93 4.452 -7.018 2.333 1.00 -0.05 C HETATM 1749 CH ACE A 93 5.754 -6.399 2.875 1.00 -0.02 C HETATM 1750 H20 ACE A 93 5.500 -5.819 3.774 1.00 0.03 H HETATM 1751 H21 ACE A 93 6.150 -5.723 2.103 1.00 0.03 H HETATM 1752 H16 ACE A 93 3.695 -6.227 2.226 1.00 0.03 H HETATM 1753 H17 ACE A 93 4.651 -7.471 1.350 1.00 0.03 H HETATM 1754 H12 ACE A 93 3.605 -7.637 4.235 1.00 0.03 H HETATM 1755 H13 ACE A 93 3.055 -8.606 2.826 1.00 0.03 H HETATM 1756 H14 ACE A 93 5.306 -9.628 2.616 1.00 0.03 H HETATM 1757 H15 ACE A 93 4.655 -9.892 4.269 1.00 0.03 H HETATM 1758 H18 ACE A 93 7.092 -9.267 4.303 1.00 0.03 H HETATM 1759 H19 ACE A 93 6.076 -8.053 5.153 1.00 0.03 H HETATM 1760 C ACE A 93 8.074 -6.730 4.004 1.00 0.23 C HETATM 1761 O ACE A 93 7.963 -5.688 4.719 1.00 -0.34 O HETATM 1762 N ACE A 93 9.220 -7.443 3.936 1.00 -0.26 N HETATM 1763 CA ACE A 93 10.433 -7.003 4.642 1.00 0.15 C HETATM 1764 C ACE A 93 11.443 -6.330 3.718 1.00 0.20 C HETATM 1765 O ACE A 93 12.602 -6.212 4.073 1.00 -0.39 O HETATM 1766 N ACE A 93 10.998 -5.777 2.608 1.00 -0.30 N HETATM 1767 H29 ACE A 93 11.636 -5.328 1.982 1.00 0.18 H HETATM 1768 H30 ACE A 93 10.022 -5.806 2.391 1.00 0.18 H HETATM 1769 CB ACE A 93 11.034 -8.205 5.424 1.00 0.08 C HETATM 1770 CG ACE A 93 11.569 -9.304 4.462 1.00 0.18 C HETATM 1771 OD1 ACE A 93 11.116 -9.385 3.296 1.00 -0.40 O HETATM 1772 ND2 ACE A 93 12.500 -10.096 4.973 1.00 -0.30 N HETATM 1773 H27 ACE A 93 12.894 -10.828 4.417 1.00 0.18 H HETATM 1774 H28 ACE A 93 12.808 -9.962 5.915 1.00 0.18 H HETATM 1775 H25 ACE A 93 10.253 -8.641 6.064 1.00 0.06 H HETATM 1776 H26 ACE A 93 11.863 -7.845 6.051 1.00 0.06 H HETATM 1777 H24 ACE A 93 10.129 -6.248 5.382 1.00 0.08 H HETATM 1778 H23 ACE A 93 9.244 -8.284 3.396 1.00 0.19 H HETATM 1779 H22 ACE A 93 7.197 -8.918 1.809 1.00 0.18 H HETATM 1780 CB ACE A 93 9.927 -8.353 -0.162 1.00 0.04 C HETATM 1781 CG ACE A 93 10.327 -9.067 -1.449 1.00 -0.00 C HETATM 1782 CD1 ACE A 93 10.807 -8.300 -2.494 1.00 -0.02 C HETATM 1783 CE1 ACE A 93 11.087 -8.932 -3.706 1.00 0.01 C HETATM 1784 CZ ACE A 93 10.917 -10.327 -3.842 1.00 0.17 C HETATM 1785 CE2 ACE A 93 10.428 -11.104 -2.802 1.00 0.01 C HETATM 1786 CD2 ACE A 93 10.160 -10.476 -1.562 1.00 -0.02 C HETATM 1787 H9 ACE A 93 9.832 -11.060 -0.710 1.00 0.07 H HETATM 1788 H11 ACE A 93 10.255 -12.166 -2.936 1.00 0.07 H HETATM 1789 OH ACE A 93 11.241 -10.777 -5.103 1.00 -0.20 O HETATM 1790 P ACE A 93 10.968 -12.322 -5.622 1.00 0.13 P HETATM 1791 O1P ACE A 93 11.113 -12.180 -7.187 1.00 -0.67 O HETATM 1792 O2P ACE A 93 11.968 -13.266 -5.108 1.00 -0.67 O HETATM 1793 O3P ACE A 93 9.557 -12.640 -5.308 1.00 -0.67 O HETATM 1794 H10 ACE A 93 11.438 -8.348 -4.549 1.00 0.07 H HETATM 1795 H8 ACE A 93 10.962 -7.234 -2.375 1.00 0.07 H HETATM 1796 H6 ACE A 93 10.134 -9.009 0.696 1.00 0.06 H HETATM 1797 H7 ACE A 93 10.511 -7.426 -0.065 1.00 0.06 H HETATM 1798 H5 ACE A 93 7.803 -8.922 -0.263 1.00 0.08 H HETATM 1799 H4 ACE A 93 8.490 -6.185 -1.362 1.00 0.19 H CONECT 1733 1734 1735 1739 CONECT 1734 1733 CONECT 1735 1733 1736 1737 1738 CONECT 1736 1735 CONECT 1737 1735 CONECT 1738 1735 CONECT 1739 1733 1740 1799 CONECT 1740 1739 1741 1780 1798 CONECT 1741 1740 1742 1743 CONECT 1742 1741 CONECT 1743 1741 1744 1779 CONECT 1744 1743 1745 1749 1760 CONECT 1745 1744 1746 1758 1759 CONECT 1746 1745 1747 1756 1757 CONECT 1747 1746 1748 1754 1755 CONECT 1748 1747 1749 1752 1753 CONECT 1749 1744 1748 1750 1751 CONECT 1750 1749 CONECT 1751 1749 CONECT 1752 1748 CONECT 1753 1748 CONECT 1754 1747 CONECT 1755 1747 CONECT 1756 1746 CONECT 1757 1746 CONECT 1758 1745 CONECT 1759 1745 CONECT 1760 1744 1761 1762 CONECT 1761 1760 CONECT 1762 1760 1763 1778 CONECT 1763 1762 1764 1769 1777 CONECT 1764 1763 1765 1766 CONECT 1765 1764 CONECT 1766 1764 1767 1768 CONECT 1767 1766 CONECT 1768 1766 CONECT 1769 1763 1770 1775 1776 CONECT 1770 1769 1771 1772 CONECT 1771 1770 CONECT 1772 1770 1773 1774 CONECT 1773 1772 CONECT 1774 1772 CONECT 1775 1769 CONECT 1776 1769 CONECT 1777 1763 CONECT 1778 1762 CONECT 1779 1743 CONECT 1780 1740 1781 1796 1797 CONECT 1781 1780 1782 1786 CONECT 1782 1781 1783 1795 CONECT 1783 1782 1784 1794 CONECT 1784 1783 1785 1789 CONECT 1785 1784 1786 1788 CONECT 1786 1781 1785 1787 CONECT 1787 1786 CONECT 1788 1785 CONECT 1789 1784 1790 CONECT 1790 1789 1791 1792 1793 CONECT 1791 1790 CONECT 1792 1790 CONECT 1793 1790 CONECT 1794 1783 CONECT 1795 1782 CONECT 1796 1780 CONECT 1797 1780 CONECT 1798 1740 CONECT 1799 1739 MASTER 0 0 0 0 0 0 0 0 1798 1 67 8 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 3s8o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1bm2
RCSB PDB
PDBbind
117aa, >1BM2_1|Chain... at 100%
1bmb
RCSB PDB
PDBbind
123aa, >1BMB_1|Chain... *
1cj1
RCSB PDB
PDBbind
96aa, >1CJ1_1|Chains... at 100%
1fyr
RCSB PDB
PDBbind
114aa, >1FYR_1|Chains... at 98%
1jyq
RCSB PDB
PDBbind
96aa, >1JYQ_1|Chains... at 95%
1tze
RCSB PDB
PDBbind
98aa, >1TZE_1|Chain... at 100%
1x0n
RCSB PDB
PDBbind
104aa, >1X0N_1|Chain... at 98%
1zfp
RCSB PDB
PDBbind
98aa, >1ZFP_1|Chain... at 100%
3mxc
RCSB PDB
PDBbind
101aa, >3MXC_1|Chain... at 97%
3mxy
RCSB PDB
PDBbind
101aa, >3MXY_1|Chain... at 97%
3ov1
RCSB PDB
PDBbind
117aa, >3OV1_1|Chain... at 94%
3ove
RCSB PDB
PDBbind
117aa, >3OVE_1|Chain... at 94%
3s8l
RCSB PDB
PDBbind
117aa, >3S8L_1|Chain... at 94%
3s8n
RCSB PDB
PDBbind
117aa, >3S8N_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
3s8o
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Growth factor receptor-bound protein 2, Grb2-SH2
Ligand Name
5-mer
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=0.14uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Am.Chem.Soc. Vol. 133: pp. 18518-18521
Ligand Properties
Formula
C
2
2
H
3
3
N
5
O
9
P
Molecular Weight
542.499
Exact Mass
542.202
No. of atoms
70
No. of bonds
71
Polar Surface Area
256.99
LOGP Value
-2.17 (
Computed with XLOGP3
)
1.01 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 2
Canonical SMILES
CC(=O)N[C@H](C(=O)NC1(CCCCC1)C(=O)N[C@H](C(=O)N)CC(=O)N)Cc1ccc(cc1)OP(O)(O)O
InChI String
InChI=1S/C22H34N5O9P/c1-13(28)25-17(11-14-5-7-15(8-6-14)36-37(33,34)35)20(31)27-22(9-3-2-4-10-22)21(32)26-16(19(24)30)12-18(23)29/h5-8,16-17,33-35,37H,2-4,9-12H2,1H3,(H2,23,29)(H2,24,30)(H,25,28)(H,26,32)(H,27,31)/t16-,17-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P62993
Entrez Gene ID
NCBI Entrez Gene ID:
2885
ASD
Information of known allosteric effects of PDB entries
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