Browse entries in the PDBbind-CN Database
HEADER 1D7I_COMPLEX COMPND 1D7I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 107 GLY VAL GLN VAL GLU THR ILE SER PRO GLY ASP GLY ARG SEQRES 2 A 107 THR PHE PRO LYS ARG GLY GLN THR CYS VAL VAL HIS TYR SEQRES 3 A 107 THR GLY MET LEU GLU ASP GLY LYS LYS PHE ASP SER SER SEQRES 4 A 107 ARG ASP ARG ASN LYS PRO PHE LYS PHE MET LEU GLY LYS SEQRES 5 A 107 GLN GLU VAL ILE ARG GLY TRP GLU GLU GLY VAL ALA GLN SEQRES 6 A 107 MET SER VAL GLY GLN ARG ALA LYS LEU THR ILE SER PRO SEQRES 7 A 107 ASP TYR ALA TYR GLY ALA THR GLY HIS PRO GLY ILE ILE SEQRES 8 A 107 PRO PRO HIS ALA THR LEU VAL PHE ASP VAL GLU LEU LEU SEQRES 9 A 107 LYS LEU GLU HET DSS A 164 14 ATOM 1 N GLY A 1 64.238 -19.586 -5.545 1.00 23.01 N ATOM 2 CA GLY A 1 65.312 -18.815 -4.899 1.00 26.37 C ATOM 3 C GLY A 1 65.532 -17.502 -5.611 1.00 28.13 C ATOM 4 O GLY A 1 64.718 -17.112 -6.438 1.00 29.24 O ATOM 5 HA3 GLY A 1 66.234 -19.395 -4.925 1.00 0.00 H ATOM 6 HA2 GLY A 1 65.037 -18.618 -3.863 1.00 0.00 H ATOM 7 HN3 GLY A 1 64.498 -19.779 -6.533 1.00 0.00 H ATOM 8 HN2 GLY A 1 63.355 -19.037 -5.518 1.00 0.00 H ATOM 9 HN1 GLY A 1 64.105 -20.484 -5.038 1.00 0.00 H ATOM 10 N VAL A 2 66.619 -16.811 -5.282 1.00 29.26 N ATOM 11 CA VAL A 2 66.940 -15.540 -5.920 1.00 27.26 C ATOM 12 C VAL A 2 68.183 -15.716 -6.761 1.00 26.97 C ATOM 13 O VAL A 2 69.021 -16.560 -6.454 1.00 29.56 O ATOM 14 CB VAL A 2 67.151 -14.401 -4.887 1.00 28.52 C ATOM 15 CG1 VAL A 2 68.113 -14.851 -3.788 1.00 25.54 C ATOM 16 CG2 VAL A 2 67.653 -13.128 -5.580 1.00 22.55 C ATOM 17 HA VAL A 2 66.096 -15.249 -6.545 1.00 0.00 H ATOM 18 HB VAL A 2 66.193 -14.169 -4.422 1.00 0.00 H ATOM 19 HG11 VAL A 2 67.699 -15.721 -3.279 1.00 0.00 H ATOM 20 HG12 VAL A 2 69.074 -15.111 -4.232 1.00 0.00 H ATOM 21 HG13 VAL A 2 68.250 -14.040 -3.072 1.00 0.00 H ATOM 22 HG21 VAL A 2 68.601 -13.336 -6.076 1.00 0.00 H ATOM 23 HG22 VAL A 2 66.919 -12.804 -6.318 1.00 0.00 H ATOM 24 HG23 VAL A 2 67.794 -12.343 -4.837 1.00 0.00 H ATOM 25 H VAL A 2 67.256 -17.187 -4.551 1.00 0.00 H ATOM 26 N GLN A 3 68.259 -14.953 -7.841 1.00 25.20 N ATOM 27 CA GLN A 3 69.385 -14.998 -8.756 1.00 29.32 C ATOM 28 C GLN A 3 69.922 -13.564 -8.838 1.00 29.23 C ATOM 29 O GLN A 3 69.176 -12.631 -9.117 1.00 29.26 O ATOM 30 CB GLN A 3 68.892 -15.472 -10.117 1.00 31.07 C ATOM 31 CG GLN A 3 69.985 -15.864 -11.088 1.00 42.71 C ATOM 32 CD GLN A 3 69.444 -16.185 -12.482 1.00 51.18 C ATOM 33 OE1 GLN A 3 70.213 -16.457 -13.407 1.00 53.37 O ATOM 34 NE2 GLN A 3 68.124 -16.136 -12.645 1.00 57.00 N ATOM 35 HA GLN A 3 70.167 -15.682 -8.425 1.00 0.00 H ATOM 36 HB2 GLN A 3 68.249 -16.339 -9.962 1.00 0.00 H ATOM 37 HB3 GLN A 3 68.312 -14.667 -10.567 1.00 0.00 H ATOM 38 HG2 GLN A 3 70.693 -15.039 -11.169 1.00 0.00 H ATOM 39 HG3 GLN A 3 70.498 -16.744 -10.701 1.00 0.00 H ATOM 40 HE22 GLN A 3 67.509 -15.903 -11.839 1.00 0.00 H ATOM 41 HE21 GLN A 3 67.708 -16.331 -13.578 1.00 0.00 H ATOM 42 H GLN A 3 67.480 -14.294 -8.042 1.00 0.00 H ATOM 43 N VAL A 4 71.212 -13.392 -8.561 1.00 30.21 N ATOM 44 CA VAL A 4 71.847 -12.070 -8.573 1.00 27.50 C ATOM 45 C VAL A 4 72.782 -11.861 -9.771 1.00 26.96 C ATOM 46 O VAL A 4 73.651 -12.692 -10.035 1.00 30.72 O ATOM 47 CB VAL A 4 72.656 -11.844 -7.275 1.00 26.73 C ATOM 48 CG1 VAL A 4 72.977 -10.373 -7.098 1.00 32.21 C ATOM 49 CG2 VAL A 4 71.902 -12.385 -6.067 1.00 25.31 C ATOM 50 HA VAL A 4 71.033 -11.350 -8.651 1.00 0.00 H ATOM 51 HB VAL A 4 73.596 -12.390 -7.357 1.00 0.00 H ATOM 52 HG11 VAL A 4 73.565 -10.026 -7.947 1.00 0.00 H ATOM 53 HG12 VAL A 4 72.049 -9.804 -7.041 1.00 0.00 H ATOM 54 HG13 VAL A 4 73.547 -10.235 -6.179 1.00 0.00 H ATOM 55 HG21 VAL A 4 70.944 -11.872 -5.979 1.00 0.00 H ATOM 56 HG22 VAL A 4 71.733 -13.454 -6.195 1.00 0.00 H ATOM 57 HG23 VAL A 4 72.491 -12.214 -5.166 1.00 0.00 H ATOM 58 H VAL A 4 71.790 -14.224 -8.328 1.00 0.00 H ATOM 59 N GLU A 5 72.591 -10.778 -10.510 1.00 22.22 N ATOM 60 CA GLU A 5 73.440 -10.462 -11.653 1.00 21.32 C ATOM 61 C GLU A 5 73.983 -9.069 -11.436 1.00 21.81 C ATOM 62 O GLU A 5 73.218 -8.104 -11.358 1.00 16.82 O ATOM 63 CB GLU A 5 72.647 -10.453 -12.947 1.00 24.71 C ATOM 64 CG GLU A 5 72.153 -11.789 -13.381 1.00 36.34 C ATOM 65 CD GLU A 5 71.096 -11.646 -14.444 1.00 42.73 C ATOM 66 OE1 GLU A 5 70.072 -12.361 -14.353 1.00 48.31 O ATOM 67 OE2 GLU A 5 71.274 -10.795 -15.350 1.00 43.68 O ATOM 68 HA GLU A 5 74.226 -11.213 -11.732 1.00 0.00 H ATOM 69 HB2 GLU A 5 71.786 -9.799 -12.814 1.00 0.00 H ATOM 70 HB3 GLU A 5 73.286 -10.054 -13.735 1.00 0.00 H ATOM 71 HG2 GLU A 5 72.987 -12.367 -13.780 1.00 0.00 H ATOM 72 HG3 GLU A 5 71.729 -12.310 -12.523 1.00 0.00 H ATOM 73 H GLU A 5 71.812 -10.133 -10.268 1.00 0.00 H ATOM 74 N THR A 6 75.305 -8.952 -11.390 1.00 23.02 N ATOM 75 CA THR A 6 75.941 -7.668 -11.175 1.00 19.24 C ATOM 76 C THR A 6 75.746 -6.748 -12.351 1.00 18.03 C ATOM 77 O THR A 6 75.794 -7.171 -13.504 1.00 19.12 O ATOM 78 CB THR A 6 77.464 -7.845 -10.888 1.00 23.58 C ATOM 79 OG1 THR A 6 77.625 -8.651 -9.707 1.00 25.13 O ATOM 80 CG2 THR A 6 78.164 -6.497 -10.680 1.00 20.40 C ATOM 81 HA THR A 6 75.465 -7.215 -10.305 1.00 0.00 H ATOM 82 HB THR A 6 77.920 -8.329 -11.752 1.00 0.00 H ATOM 83 HG1 THR A 6 78.590 -8.768 -9.518 1.00 0.00 H ATOM 84 HG23 THR A 6 78.043 -5.885 -11.574 1.00 0.00 H ATOM 85 HG21 THR A 6 77.720 -5.986 -9.825 1.00 0.00 H ATOM 86 HG22 THR A 6 79.225 -6.665 -10.494 1.00 0.00 H ATOM 87 H THR A 6 75.896 -9.799 -11.511 1.00 0.00 H ATOM 88 N ILE A 7 75.443 -5.500 -12.036 1.00 16.79 N ATOM 89 CA ILE A 7 75.262 -4.466 -13.048 1.00 22.90 C ATOM 90 C ILE A 7 76.506 -3.584 -12.957 1.00 23.94 C ATOM 91 O ILE A 7 77.091 -3.199 -13.970 1.00 23.27 O ATOM 92 CB ILE A 7 73.998 -3.617 -12.771 1.00 23.40 C ATOM 93 CG1 ILE A 7 72.741 -4.476 -13.015 1.00 27.22 C ATOM 94 CG2 ILE A 7 73.999 -2.344 -13.644 1.00 16.29 C ATOM 95 CD1 ILE A 7 71.471 -3.969 -12.314 1.00 32.92 C ATOM 96 HA ILE A 7 75.133 -4.908 -14.036 1.00 0.00 H ATOM 97 HB ILE A 7 73.996 -3.293 -11.730 1.00 0.00 H ATOM 98 HG12 ILE A 7 72.550 -4.502 -14.088 1.00 0.00 H ATOM 99 HG13 ILE A 7 72.945 -5.486 -12.659 1.00 0.00 H ATOM 100 HD11 ILE A 7 71.636 -3.949 -11.237 1.00 0.00 H ATOM 101 HD12 ILE A 7 71.240 -2.964 -12.666 1.00 0.00 H ATOM 102 HD13 ILE A 7 70.640 -4.636 -12.544 1.00 0.00 H ATOM 103 HG21 ILE A 7 74.883 -1.749 -13.415 1.00 0.00 H ATOM 104 HG22 ILE A 7 74.012 -2.627 -14.697 1.00 0.00 H ATOM 105 HG23 ILE A 7 73.102 -1.761 -13.435 1.00 0.00 H ATOM 106 H ILE A 7 75.330 -5.248 -11.033 1.00 0.00 H ATOM 107 N SER A 8 76.918 -3.312 -11.726 1.00 23.45 N ATOM 108 CA SER A 8 78.084 -2.492 -11.485 1.00 24.31 C ATOM 109 C SER A 8 78.652 -3.000 -10.152 1.00 25.34 C ATOM 110 O SER A 8 77.927 -3.124 -9.163 1.00 26.95 O ATOM 111 CB SER A 8 77.645 -1.035 -11.410 1.00 30.19 C ATOM 112 OG SER A 8 78.743 -0.174 -11.601 1.00 37.35 O ATOM 113 HA SER A 8 78.840 -2.553 -12.268 1.00 0.00 H ATOM 114 HB2 SER A 8 77.206 -0.843 -10.431 1.00 0.00 H ATOM 115 HB3 SER A 8 76.902 -0.845 -12.184 1.00 0.00 H ATOM 116 HG SER A 8 79.419 -0.342 -10.897 1.00 0.00 H ATOM 117 H SER A 8 76.391 -3.697 -10.916 1.00 0.00 H ATOM 118 N PRO A 9 79.950 -3.325 -10.115 1.00 22.71 N ATOM 119 CA PRO A 9 80.634 -3.836 -8.921 1.00 15.76 C ATOM 120 C PRO A 9 80.681 -2.969 -7.689 1.00 7.86 C ATOM 121 O PRO A 9 80.703 -1.742 -7.781 1.00 12.18 O ATOM 122 CB PRO A 9 82.054 -4.118 -9.447 1.00 18.71 C ATOM 123 CG PRO A 9 82.250 -3.035 -10.435 1.00 17.25 C ATOM 124 CD PRO A 9 80.925 -3.091 -11.197 1.00 23.80 C ATOM 125 HA PRO A 9 80.074 -4.687 -8.533 1.00 0.00 H ATOM 126 HD3 PRO A 9 80.726 -2.151 -11.712 1.00 0.00 H ATOM 127 HD2 PRO A 9 80.918 -3.908 -11.918 1.00 0.00 H ATOM 128 HG3 PRO A 9 83.097 -3.239 -11.090 1.00 0.00 H ATOM 129 HG2 PRO A 9 82.392 -2.070 -9.949 1.00 0.00 H ATOM 130 HB2 PRO A 9 82.790 -4.059 -8.646 1.00 0.00 H ATOM 131 HB3 PRO A 9 82.112 -5.098 -9.920 1.00 0.00 H ATOM 132 N GLY A 10 80.669 -3.605 -6.524 1.00 6.85 N ATOM 133 CA GLY A 10 80.793 -2.864 -5.275 1.00 13.26 C ATOM 134 C GLY A 10 82.244 -2.958 -4.846 1.00 15.98 C ATOM 135 O GLY A 10 83.073 -3.328 -5.663 1.00 18.33 O ATOM 136 HA3 GLY A 10 80.148 -3.303 -4.514 1.00 0.00 H ATOM 137 HA2 GLY A 10 80.515 -1.821 -5.429 1.00 0.00 H ATOM 138 H GLY A 10 80.570 -4.640 -6.502 1.00 0.00 H ATOM 139 N ASP A 11 82.569 -2.703 -3.580 1.00 17.76 N ATOM 140 CA ASP A 11 83.976 -2.782 -3.146 1.00 19.17 C ATOM 141 C ASP A 11 84.553 -4.202 -3.131 1.00 22.00 C ATOM 142 O ASP A 11 85.745 -4.383 -2.932 1.00 26.95 O ATOM 143 CB ASP A 11 84.192 -2.100 -1.783 1.00 16.53 C ATOM 144 CG ASP A 11 83.609 -2.883 -0.628 1.00 19.79 C ATOM 145 OD1 ASP A 11 83.868 -2.510 0.525 1.00 23.57 O ATOM 146 OD2 ASP A 11 82.899 -3.876 -0.851 1.00 24.72 O ATOM 147 HA ASP A 11 84.531 -2.236 -3.909 1.00 0.00 H ATOM 148 HB2 ASP A 11 85.263 -1.985 -1.619 1.00 0.00 H ATOM 149 HB3 ASP A 11 83.722 -1.117 -1.808 1.00 0.00 H ATOM 150 H ASP A 11 81.829 -2.448 -2.896 1.00 0.00 H ATOM 151 N GLY A 12 83.686 -5.200 -3.280 1.00 22.28 N ATOM 152 CA GLY A 12 84.097 -6.592 -3.306 1.00 16.10 C ATOM 153 C GLY A 12 84.491 -7.184 -1.967 1.00 17.23 C ATOM 154 O GLY A 12 84.944 -8.330 -1.910 1.00 18.36 O ATOM 155 HA3 GLY A 12 84.953 -6.677 -3.975 1.00 0.00 H ATOM 156 HA2 GLY A 12 83.268 -7.179 -3.702 1.00 0.00 H ATOM 157 H GLY A 12 82.676 -4.974 -3.382 1.00 0.00 H ATOM 158 N ARG A 13 84.271 -6.452 -0.882 1.00 18.38 N ATOM 159 CA ARG A 13 84.659 -6.975 0.417 1.00 20.18 C ATOM 160 C ARG A 13 83.748 -6.672 1.602 1.00 19.29 C ATOM 161 O ARG A 13 83.865 -7.323 2.636 1.00 14.25 O ATOM 162 CB ARG A 13 86.071 -6.495 0.737 1.00 30.03 C ATOM 163 CG ARG A 13 86.187 -4.989 0.869 1.00 34.81 C ATOM 164 CD ARG A 13 87.628 -4.536 0.696 1.00 44.64 C ATOM 165 NE ARG A 13 88.075 -4.600 -0.701 1.00 49.86 N ATOM 166 CZ ARG A 13 89.349 -4.578 -1.090 1.00 55.34 C ATOM 167 NH1 ARG A 13 89.641 -4.633 -2.384 1.00 57.45 N ATOM 168 NH2 ARG A 13 90.335 -4.535 -0.193 1.00 54.27 N ATOM 169 HA ARG A 13 84.583 -8.056 0.302 1.00 0.00 H ATOM 170 HB2 ARG A 13 86.384 -6.948 1.677 1.00 0.00 H ATOM 171 HB3 ARG A 13 86.736 -6.823 -0.062 1.00 0.00 H ATOM 172 HG2 ARG A 13 85.570 -4.515 0.105 1.00 0.00 H ATOM 173 HG3 ARG A 13 85.835 -4.689 1.856 1.00 0.00 H ATOM 174 HD2 ARG A 13 88.271 -5.178 1.299 1.00 0.00 H ATOM 175 HD3 ARG A 13 87.715 -3.507 1.044 1.00 0.00 H ATOM 176 HE ARG A 13 87.345 -4.667 -1.439 1.00 0.00 H ATOM 177 HH12 ARG A 13 90.633 -4.616 -2.694 1.00 0.00 H ATOM 178 HH11 ARG A 13 88.877 -4.693 -3.087 1.00 0.00 H ATOM 179 HH22 ARG A 13 91.326 -4.518 -0.509 1.00 0.00 H ATOM 180 HH21 ARG A 13 90.113 -4.518 0.823 1.00 0.00 H ATOM 181 H ARG A 13 83.826 -5.515 -0.961 1.00 0.00 H ATOM 182 N THR A 14 82.894 -5.659 1.502 1.00 17.62 N ATOM 183 CA THR A 14 82.014 -5.350 2.633 1.00 17.04 C ATOM 184 C THR A 14 80.619 -5.905 2.348 1.00 14.56 C ATOM 185 O THR A 14 79.887 -5.342 1.548 1.00 11.92 O ATOM 186 CB THR A 14 81.932 -3.839 2.914 1.00 16.38 C ATOM 187 OG1 THR A 14 83.250 -3.283 2.927 1.00 19.02 O ATOM 188 CG2 THR A 14 81.319 -3.606 4.285 1.00 20.67 C ATOM 189 HA THR A 14 82.434 -5.818 3.523 1.00 0.00 H ATOM 190 HB THR A 14 81.325 -3.371 2.139 1.00 0.00 H ATOM 191 HG1 THR A 14 83.679 -3.432 2.047 1.00 0.00 H ATOM 192 HG23 THR A 14 80.311 -4.020 4.306 1.00 0.00 H ATOM 193 HG21 THR A 14 81.930 -4.096 5.043 1.00 0.00 H ATOM 194 HG22 THR A 14 81.278 -2.535 4.486 1.00 0.00 H ATOM 195 H THR A 14 82.850 -5.092 0.631 1.00 0.00 H ATOM 196 N PHE A 15 80.320 -7.064 2.927 1.00 15.12 N ATOM 197 CA PHE A 15 79.031 -7.737 2.768 1.00 14.77 C ATOM 198 C PHE A 15 78.211 -7.500 4.044 1.00 16.97 C ATOM 199 O PHE A 15 78.777 -7.417 5.146 1.00 20.91 O ATOM 200 CB PHE A 15 79.248 -9.237 2.497 1.00 15.54 C ATOM 201 CG PHE A 15 79.988 -9.520 1.216 1.00 19.37 C ATOM 202 CD1 PHE A 15 79.301 -9.870 0.056 1.00 16.25 C ATOM 203 CD2 PHE A 15 81.379 -9.408 1.159 1.00 19.40 C ATOM 204 CE1 PHE A 15 79.993 -10.102 -1.151 1.00 24.61 C ATOM 205 CE2 PHE A 15 82.072 -9.636 -0.042 1.00 15.66 C ATOM 206 CZ PHE A 15 81.386 -9.982 -1.198 1.00 18.84 C ATOM 207 HA PHE A 15 78.486 -7.335 1.914 1.00 0.00 H ATOM 208 HB2 PHE A 15 79.819 -9.657 3.325 1.00 0.00 H ATOM 209 HB3 PHE A 15 78.273 -9.722 2.446 1.00 0.00 H ATOM 210 HD2 PHE A 15 81.934 -9.140 2.058 1.00 0.00 H ATOM 211 HE2 PHE A 15 83.158 -9.540 -0.066 1.00 0.00 H ATOM 212 HZ PHE A 15 81.925 -10.158 -2.129 1.00 0.00 H ATOM 213 HE1 PHE A 15 79.441 -10.376 -2.050 1.00 0.00 H ATOM 214 HD1 PHE A 15 78.216 -9.966 0.081 1.00 0.00 H ATOM 215 H PHE A 15 81.041 -7.516 3.525 1.00 0.00 H ATOM 216 N PRO A 16 76.886 -7.288 3.905 1.00 19.73 N ATOM 217 CA PRO A 16 76.006 -7.041 5.049 1.00 16.43 C ATOM 218 C PRO A 16 75.871 -8.253 5.959 1.00 17.88 C ATOM 219 O PRO A 16 75.825 -9.392 5.493 1.00 15.79 O ATOM 220 CB PRO A 16 74.659 -6.714 4.398 1.00 19.69 C ATOM 221 CG PRO A 16 75.013 -6.328 2.990 1.00 24.12 C ATOM 222 CD PRO A 16 76.105 -7.299 2.657 1.00 20.90 C ATOM 223 HA PRO A 16 76.393 -6.249 5.690 1.00 0.00 H ATOM 224 HD3 PRO A 16 75.707 -8.291 2.443 1.00 0.00 H ATOM 225 HD2 PRO A 16 76.700 -6.957 1.810 1.00 0.00 H ATOM 226 HG3 PRO A 16 75.370 -5.299 2.940 1.00 0.00 H ATOM 227 HG2 PRO A 16 74.161 -6.448 2.321 1.00 0.00 H ATOM 228 HB2 PRO A 16 74.004 -7.585 4.407 1.00 0.00 H ATOM 229 HB3 PRO A 16 74.170 -5.888 4.914 1.00 0.00 H ATOM 230 N LYS A 17 75.801 -7.985 7.261 1.00 21.50 N ATOM 231 CA LYS A 17 75.646 -9.028 8.271 1.00 25.84 C ATOM 232 C LYS A 17 74.349 -8.793 9.054 1.00 22.21 C ATOM 233 O LYS A 17 73.864 -7.656 9.147 1.00 16.52 O ATOM 234 CB LYS A 17 76.847 -9.038 9.227 1.00 28.20 C ATOM 235 CG LYS A 17 78.193 -9.221 8.547 1.00 34.97 C ATOM 236 CD LYS A 17 78.244 -10.507 7.743 1.00 37.37 C ATOM 237 CE LYS A 17 79.604 -10.658 7.062 1.00 44.32 C ATOM 238 NZ LYS A 17 79.671 -11.877 6.214 1.00 48.37 N ATOM 239 HA LYS A 17 75.598 -9.997 7.774 1.00 0.00 H ATOM 240 HB2 LYS A 17 76.863 -8.090 9.764 1.00 0.00 H ATOM 241 HB3 LYS A 17 76.710 -9.854 9.937 1.00 0.00 H ATOM 242 HG2 LYS A 17 78.369 -8.378 7.878 1.00 0.00 H ATOM 243 HG3 LYS A 17 78.973 -9.248 9.308 1.00 0.00 H ATOM 244 HD2 LYS A 17 78.080 -11.354 8.409 1.00 0.00 H ATOM 245 HD3 LYS A 17 77.462 -10.487 6.984 1.00 0.00 H ATOM 246 HE2 LYS A 17 80.377 -10.719 7.828 1.00 0.00 H ATOM 247 HE3 LYS A 17 79.783 -9.784 6.436 1.00 0.00 H ATOM 248 HZ1 LYS A 17 79.508 -12.718 6.804 1.00 0.00 H ATOM 249 HZ2 LYS A 17 78.941 -11.824 5.475 1.00 0.00 H ATOM 250 HZ3 LYS A 17 80.610 -11.939 5.772 1.00 0.00 H ATOM 251 H LYS A 17 75.859 -6.994 7.571 1.00 0.00 H ATOM 252 N ARG A 18 73.807 -9.870 9.619 1.00 26.01 N ATOM 253 CA ARG A 18 72.568 -9.831 10.401 1.00 30.17 C ATOM 254 C ARG A 18 72.609 -8.706 11.426 1.00 30.24 C ATOM 255 O ARG A 18 73.618 -8.521 12.100 1.00 33.32 O ATOM 256 CB ARG A 18 72.355 -11.173 11.119 1.00 34.18 C ATOM 257 CG ARG A 18 71.518 -12.229 10.369 1.00 43.17 C ATOM 258 CD ARG A 18 71.380 -11.993 8.858 1.00 51.93 C ATOM 259 NE ARG A 18 72.562 -12.366 8.072 1.00 62.97 N ATOM 260 CZ ARG A 18 72.563 -12.531 6.747 1.00 66.08 C ATOM 261 NH1 ARG A 18 73.685 -12.863 6.116 1.00 66.50 N ATOM 262 NH2 ARG A 18 71.446 -12.365 6.044 1.00 70.55 N ATOM 263 HA ARG A 18 71.740 -9.649 9.716 1.00 0.00 H ATOM 264 HB2 ARG A 18 73.337 -11.605 11.313 1.00 0.00 H ATOM 265 HB3 ARG A 18 71.857 -10.967 12.066 1.00 0.00 H ATOM 266 HG2 ARG A 18 71.987 -13.201 10.518 1.00 0.00 H ATOM 267 HG3 ARG A 18 70.518 -12.239 10.803 1.00 0.00 H ATOM 268 HD2 ARG A 18 71.184 -10.933 8.695 1.00 0.00 H ATOM 269 HD3 ARG A 18 70.533 -12.578 8.498 1.00 0.00 H ATOM 270 HE ARG A 18 73.458 -12.511 8.580 1.00 0.00 H ATOM 271 HH12 ARG A 18 73.683 -12.991 5.084 1.00 0.00 H ATOM 272 HH11 ARG A 18 74.565 -12.995 6.654 1.00 0.00 H ATOM 273 HH22 ARG A 18 71.457 -12.496 5.012 1.00 0.00 H ATOM 274 HH21 ARG A 18 70.562 -12.105 6.526 1.00 0.00 H ATOM 275 H ARG A 18 74.287 -10.785 9.499 1.00 0.00 H ATOM 276 N GLY A 19 71.529 -7.935 11.522 1.00 29.08 N ATOM 277 CA GLY A 19 71.478 -6.840 12.479 1.00 26.33 C ATOM 278 C GLY A 19 71.896 -5.484 11.933 1.00 24.57 C ATOM 279 O GLY A 19 71.715 -4.455 12.588 1.00 25.91 O ATOM 280 HA3 GLY A 19 72.138 -7.087 13.310 1.00 0.00 H ATOM 281 HA2 GLY A 19 70.454 -6.757 12.842 1.00 0.00 H ATOM 282 H GLY A 19 70.711 -8.117 10.906 1.00 0.00 H ATOM 283 N GLN A 20 72.479 -5.473 10.742 1.00 23.55 N ATOM 284 CA GLN A 20 72.911 -4.219 10.140 1.00 22.83 C ATOM 285 C GLN A 20 71.774 -3.609 9.368 1.00 17.52 C ATOM 286 O GLN A 20 70.879 -4.316 8.915 1.00 18.66 O ATOM 287 CB GLN A 20 74.092 -4.432 9.168 1.00 19.16 C ATOM 288 CG GLN A 20 75.423 -4.774 9.828 1.00 23.66 C ATOM 289 CD GLN A 20 76.608 -4.634 8.866 1.00 22.50 C ATOM 290 OE1 GLN A 20 76.876 -5.517 8.049 1.00 20.90 O ATOM 291 NE2 GLN A 20 77.309 -3.508 8.959 1.00 28.05 N ATOM 292 HA GLN A 20 73.230 -3.562 10.949 1.00 0.00 H ATOM 293 HB2 GLN A 20 73.831 -5.247 8.493 1.00 0.00 H ATOM 294 HB3 GLN A 20 74.226 -3.515 8.594 1.00 0.00 H ATOM 295 HG2 GLN A 20 75.577 -4.103 10.673 1.00 0.00 H ATOM 296 HG3 GLN A 20 75.382 -5.803 10.185 1.00 0.00 H ATOM 297 HE22 GLN A 20 77.047 -2.789 9.664 1.00 0.00 H ATOM 298 HE21 GLN A 20 78.119 -3.346 8.327 1.00 0.00 H ATOM 299 H GLN A 20 72.629 -6.368 10.233 1.00 0.00 H ATOM 300 N THR A 21 71.812 -2.294 9.236 1.00 17.48 N ATOM 301 CA THR A 21 70.828 -1.584 8.457 1.00 19.08 C ATOM 302 C THR A 21 71.396 -1.323 7.058 1.00 21.96 C ATOM 303 O THR A 21 72.429 -0.650 6.886 1.00 23.82 O ATOM 304 CB THR A 21 70.449 -0.248 9.090 1.00 15.26 C ATOM 305 OG1 THR A 21 69.714 -0.484 10.290 1.00 22.88 O ATOM 306 CG2 THR A 21 69.597 0.557 8.140 1.00 14.18 C ATOM 307 HA THR A 21 69.931 -2.201 8.410 1.00 0.00 H ATOM 308 HB THR A 21 71.360 0.308 9.313 1.00 0.00 H ATOM 309 HG1 THR A 21 69.468 0.383 10.701 1.00 0.00 H ATOM 310 HG23 THR A 21 70.154 0.740 7.221 1.00 0.00 H ATOM 311 HG21 THR A 21 68.687 0.002 7.911 1.00 0.00 H ATOM 312 HG22 THR A 21 69.337 1.508 8.604 1.00 0.00 H ATOM 313 H THR A 21 72.570 -1.759 9.705 1.00 0.00 H ATOM 314 N CYS A 22 70.729 -1.870 6.058 1.00 19.23 N ATOM 315 CA CYS A 22 71.138 -1.684 4.685 1.00 15.27 C ATOM 316 C CYS A 22 70.379 -0.485 4.124 1.00 17.65 C ATOM 317 O CYS A 22 69.183 -0.319 4.373 1.00 16.75 O ATOM 318 CB CYS A 22 70.809 -2.945 3.890 1.00 13.89 C ATOM 319 SG CYS A 22 71.556 -4.470 4.548 1.00 21.10 S ATOM 320 HA CYS A 22 72.211 -1.502 4.618 1.00 0.00 H ATOM 321 HB2 CYS A 22 71.163 -2.806 2.869 1.00 0.00 H ATOM 322 HB3 CYS A 22 69.726 -3.071 3.884 1.00 0.00 H ATOM 323 HG CYS A 22 71.192 -5.538 3.754 1.00 0.00 H ATOM 324 H CYS A 22 69.889 -2.448 6.264 1.00 0.00 H ATOM 325 N VAL A 23 71.101 0.404 3.455 1.00 17.92 N ATOM 326 CA VAL A 23 70.501 1.573 2.827 1.00 13.87 C ATOM 327 C VAL A 23 70.598 1.352 1.321 1.00 16.95 C ATOM 328 O VAL A 23 71.707 1.331 0.761 1.00 17.61 O ATOM 329 CB VAL A 23 71.226 2.854 3.233 1.00 9.56 C ATOM 330 CG1 VAL A 23 70.535 4.068 2.608 1.00 13.82 C ATOM 331 CG2 VAL A 23 71.266 2.964 4.756 1.00 11.82 C ATOM 332 HA VAL A 23 69.465 1.691 3.144 1.00 0.00 H ATOM 333 HB VAL A 23 72.252 2.824 2.865 1.00 0.00 H ATOM 334 HG11 VAL A 23 70.552 3.975 1.522 1.00 0.00 H ATOM 335 HG12 VAL A 23 69.502 4.115 2.954 1.00 0.00 H ATOM 336 HG13 VAL A 23 71.060 4.976 2.904 1.00 0.00 H ATOM 337 HG21 VAL A 23 70.248 2.986 5.144 1.00 0.00 H ATOM 338 HG22 VAL A 23 71.794 2.104 5.167 1.00 0.00 H ATOM 339 HG23 VAL A 23 71.785 3.880 5.039 1.00 0.00 H ATOM 340 H VAL A 23 72.128 0.262 3.376 1.00 0.00 H ATOM 341 N VAL A 24 69.448 1.184 0.667 1.00 7.83 N ATOM 342 CA VAL A 24 69.411 0.895 -0.755 1.00 7.76 C ATOM 343 C VAL A 24 68.452 1.746 -1.573 1.00 11.67 C ATOM 344 O VAL A 24 67.591 2.439 -1.035 1.00 18.25 O ATOM 345 CB VAL A 24 68.979 -0.570 -0.977 1.00 11.87 C ATOM 346 CG1 VAL A 24 69.794 -1.510 -0.080 1.00 11.28 C ATOM 347 CG2 VAL A 24 67.447 -0.738 -0.672 1.00 12.33 C ATOM 348 HA VAL A 24 70.423 1.113 -1.096 1.00 0.00 H ATOM 349 HB VAL A 24 69.164 -0.829 -2.019 1.00 0.00 H ATOM 350 HG11 VAL A 24 70.853 -1.411 -0.320 1.00 0.00 H ATOM 351 HG12 VAL A 24 69.630 -1.246 0.965 1.00 0.00 H ATOM 352 HG13 VAL A 24 69.476 -2.539 -0.250 1.00 0.00 H ATOM 353 HG21 VAL A 24 67.252 -0.462 0.364 1.00 0.00 H ATOM 354 HG22 VAL A 24 66.873 -0.092 -1.336 1.00 0.00 H ATOM 355 HG23 VAL A 24 67.158 -1.776 -0.833 1.00 0.00 H ATOM 356 H VAL A 24 68.553 1.262 1.190 1.00 0.00 H ATOM 357 N HIS A 25 68.629 1.689 -2.889 1.00 14.95 N ATOM 358 CA HIS A 25 67.755 2.345 -3.860 1.00 16.47 C ATOM 359 C HIS A 25 67.311 1.144 -4.687 1.00 16.80 C ATOM 360 O HIS A 25 68.102 0.212 -4.886 1.00 20.58 O ATOM 361 CB HIS A 25 68.507 3.334 -4.761 1.00 18.25 C ATOM 362 CG HIS A 25 68.063 4.777 -4.552 1.00 19.91 C ATOM 363 ND1 HIS A 25 66.995 5.232 -3.889 1.00 25.40 N ATOM 364 CD2 HIS A 25 68.814 5.893 -4.919 1.00 21.76 C ATOM 365 CE1 HIS A 25 67.008 6.553 -3.800 1.00 21.12 C ATOM 366 NE2 HIS A 25 68.138 6.993 -4.439 1.00 21.48 N ATOM 367 HA HIS A 25 66.963 2.934 -3.397 1.00 0.00 H ATOM 368 HB2 HIS A 25 69.573 3.262 -4.544 1.00 0.00 H ATOM 369 HB3 HIS A 25 68.330 3.062 -5.802 1.00 0.00 H ATOM 370 HD2 HIS A 25 69.751 5.895 -5.476 1.00 0.00 H ATOM 371 HE1 HIS A 25 66.259 7.175 -3.310 1.00 0.00 H ATOM 372 H HIS A 25 69.438 1.145 -3.250 1.00 0.00 H ATOM 373 N TYR A 26 66.060 1.110 -5.137 1.00 15.63 N ATOM 374 CA TYR A 26 65.595 -0.032 -5.921 1.00 14.30 C ATOM 375 C TYR A 26 64.491 0.356 -6.865 1.00 12.28 C ATOM 376 O TYR A 26 63.969 1.469 -6.801 1.00 14.76 O ATOM 377 CB TYR A 26 65.065 -1.142 -4.996 1.00 10.54 C ATOM 378 CG TYR A 26 63.793 -0.755 -4.244 1.00 18.63 C ATOM 379 CD1 TYR A 26 62.516 -0.986 -4.792 1.00 19.03 C ATOM 380 CD2 TYR A 26 63.864 -0.112 -3.017 1.00 19.50 C ATOM 381 CE1 TYR A 26 61.369 -0.572 -4.137 1.00 16.43 C ATOM 382 CE2 TYR A 26 62.730 0.305 -2.354 1.00 19.10 C ATOM 383 CZ TYR A 26 61.487 0.074 -2.913 1.00 24.16 C ATOM 384 OH TYR A 26 60.378 0.514 -2.227 1.00 23.41 O ATOM 385 HA TYR A 26 66.450 -0.390 -6.494 1.00 0.00 H ATOM 386 HB3 TYR A 26 65.838 -1.381 -4.266 1.00 0.00 H ATOM 387 HB2 TYR A 26 64.853 -2.024 -5.601 1.00 0.00 H ATOM 388 HD2 TYR A 26 64.840 0.068 -2.566 1.00 0.00 H ATOM 389 HE2 TYR A 26 62.813 0.814 -1.394 1.00 0.00 H ATOM 390 HE1 TYR A 26 60.387 -0.750 -4.575 1.00 0.00 H ATOM 391 HD1 TYR A 26 62.430 -1.500 -5.749 1.00 0.00 H ATOM 392 HH TYR A 26 59.562 0.284 -2.738 1.00 0.00 H ATOM 393 H TYR A 26 65.412 1.897 -4.931 1.00 0.00 H ATOM 394 N THR A 27 64.154 -0.573 -7.745 1.00 16.23 N ATOM 395 CA THR A 27 63.046 -0.409 -8.677 1.00 18.15 C ATOM 396 C THR A 27 62.509 -1.821 -8.866 1.00 21.53 C ATOM 397 O THR A 27 63.265 -2.755 -9.161 1.00 24.28 O ATOM 398 CB THR A 27 63.472 0.177 -10.026 1.00 21.16 C ATOM 399 OG1 THR A 27 63.922 1.514 -9.839 1.00 23.20 O ATOM 400 CG2 THR A 27 62.300 0.193 -10.997 1.00 20.49 C ATOM 401 HA THR A 27 62.312 0.295 -8.286 1.00 0.00 H ATOM 402 HB THR A 27 64.271 -0.442 -10.435 1.00 0.00 H ATOM 403 HG1 THR A 27 63.188 2.058 -9.459 1.00 0.00 H ATOM 404 HG23 THR A 27 61.943 -0.825 -11.151 1.00 0.00 H ATOM 405 HG21 THR A 27 61.496 0.802 -10.584 1.00 0.00 H ATOM 406 HG22 THR A 27 62.624 0.614 -11.949 1.00 0.00 H ATOM 407 H THR A 27 64.702 -1.456 -7.773 1.00 0.00 H ATOM 408 N GLY A 28 61.229 -2.006 -8.574 1.00 17.90 N ATOM 409 CA GLY A 28 60.635 -3.320 -8.726 1.00 19.73 C ATOM 410 C GLY A 28 59.929 -3.407 -10.061 1.00 18.51 C ATOM 411 O GLY A 28 59.345 -2.426 -10.513 1.00 18.45 O ATOM 412 HA3 GLY A 28 59.917 -3.489 -7.924 1.00 0.00 H ATOM 413 HA2 GLY A 28 61.416 -4.079 -8.678 1.00 0.00 H ATOM 414 H GLY A 28 60.652 -1.210 -8.236 1.00 0.00 H ATOM 415 N MET A 29 60.007 -4.560 -10.705 1.00 18.73 N ATOM 416 CA MET A 29 59.349 -4.763 -11.985 1.00 21.14 C ATOM 417 C MET A 29 58.733 -6.147 -11.997 1.00 24.38 C ATOM 418 O MET A 29 59.118 -7.032 -11.218 1.00 21.62 O ATOM 419 CB MET A 29 60.330 -4.647 -13.142 1.00 23.29 C ATOM 420 CG MET A 29 60.840 -3.240 -13.391 1.00 33.34 C ATOM 421 SD MET A 29 62.405 -3.241 -14.310 1.00 41.06 S ATOM 422 CE MET A 29 63.601 -3.343 -12.896 1.00 30.57 C ATOM 423 HA MET A 29 58.587 -3.994 -12.109 1.00 0.00 H ATOM 424 HB2 MET A 29 61.186 -5.288 -12.930 1.00 0.00 H ATOM 425 HB3 MET A 29 59.833 -4.995 -14.047 1.00 0.00 H ATOM 426 HG2 MET A 29 60.994 -2.746 -12.432 1.00 0.00 H ATOM 427 HG3 MET A 29 60.094 -2.691 -13.965 1.00 0.00 H ATOM 428 HE1 MET A 29 63.467 -2.479 -12.246 1.00 0.00 H ATOM 429 HE2 MET A 29 63.416 -4.256 -12.331 1.00 0.00 H ATOM 430 HE3 MET A 29 64.620 -3.354 -13.284 1.00 0.00 H ATOM 431 H MET A 29 60.552 -5.340 -10.285 1.00 0.00 H ATOM 432 N LEU A 30 57.709 -6.304 -12.823 1.00 23.48 N ATOM 433 CA LEU A 30 57.043 -7.590 -12.948 1.00 29.91 C ATOM 434 C LEU A 30 57.721 -8.227 -14.140 1.00 31.20 C ATOM 435 O LEU A 30 58.389 -7.529 -14.899 1.00 33.43 O ATOM 436 CB LEU A 30 55.538 -7.375 -13.190 1.00 28.54 C ATOM 437 CG LEU A 30 54.812 -6.737 -11.994 1.00 27.74 C ATOM 438 CD1 LEU A 30 53.481 -6.121 -12.400 1.00 32.79 C ATOM 439 CD2 LEU A 30 54.629 -7.786 -10.902 1.00 32.91 C ATOM 440 HA LEU A 30 57.117 -8.215 -12.058 1.00 0.00 H ATOM 441 HB2 LEU A 30 55.417 -6.724 -14.056 1.00 0.00 H ATOM 442 HB3 LEU A 30 55.079 -8.342 -13.397 1.00 0.00 H ATOM 443 HG LEU A 30 55.423 -5.921 -11.610 1.00 0.00 H ATOM 444 HD21 LEU A 30 54.037 -8.614 -11.291 1.00 0.00 H ATOM 445 HD22 LEU A 30 55.605 -8.153 -10.585 1.00 0.00 H ATOM 446 HD23 LEU A 30 54.115 -7.338 -10.052 1.00 0.00 H ATOM 447 HD11 LEU A 30 53.653 -5.347 -13.148 1.00 0.00 H ATOM 448 HD12 LEU A 30 52.837 -6.894 -12.818 1.00 0.00 H ATOM 449 HD13 LEU A 30 53.003 -5.682 -11.524 1.00 0.00 H ATOM 450 H LEU A 30 57.378 -5.497 -13.389 1.00 0.00 H ATOM 451 N GLU A 31 57.558 -9.534 -14.324 1.00 36.89 N ATOM 452 CA GLU A 31 58.187 -10.240 -15.456 1.00 41.73 C ATOM 453 C GLU A 31 58.085 -9.520 -16.805 1.00 42.70 C ATOM 454 O GLU A 31 58.931 -9.715 -17.679 1.00 45.22 O ATOM 455 CB GLU A 31 57.584 -11.643 -15.620 1.00 45.27 C ATOM 456 CG GLU A 31 57.842 -12.580 -14.460 1.00 49.77 C ATOM 457 CD GLU A 31 57.414 -14.012 -14.739 1.00 49.72 C ATOM 458 OE1 GLU A 31 57.594 -14.485 -15.887 1.00 50.25 O ATOM 459 OE2 GLU A 31 56.921 -14.674 -13.797 1.00 48.85 O ATOM 460 HA GLU A 31 59.244 -10.282 -15.194 1.00 0.00 H ATOM 461 HB2 GLU A 31 56.506 -11.538 -15.739 1.00 0.00 H ATOM 462 HB3 GLU A 31 58.006 -12.091 -16.520 1.00 0.00 H ATOM 463 HG2 GLU A 31 58.910 -12.574 -14.240 1.00 0.00 H ATOM 464 HG3 GLU A 31 57.292 -12.217 -13.592 1.00 0.00 H ATOM 465 H GLU A 31 56.973 -10.072 -13.653 1.00 0.00 H ATOM 466 N ASP A 32 57.027 -8.740 -16.989 1.00 40.85 N ATOM 467 CA ASP A 32 56.835 -8.012 -18.235 1.00 42.70 C ATOM 468 C ASP A 32 57.754 -6.789 -18.391 1.00 41.59 C ATOM 469 O ASP A 32 57.944 -6.282 -19.500 1.00 45.02 O ATOM 470 CB ASP A 32 55.356 -7.593 -18.388 1.00 47.98 C ATOM 471 CG ASP A 32 54.833 -6.742 -17.216 1.00 50.31 C ATOM 472 OD1 ASP A 32 55.579 -6.478 -16.251 1.00 52.90 O ATOM 473 OD2 ASP A 32 53.648 -6.341 -17.263 1.00 58.84 O ATOM 474 HA ASP A 32 57.112 -8.701 -19.033 1.00 0.00 H ATOM 475 HB2 ASP A 32 55.254 -7.015 -19.306 1.00 0.00 H ATOM 476 HB3 ASP A 32 54.747 -8.495 -18.458 1.00 0.00 H ATOM 477 H ASP A 32 56.323 -8.647 -16.230 1.00 0.00 H ATOM 478 N GLY A 33 58.327 -6.321 -17.290 1.00 36.02 N ATOM 479 CA GLY A 33 59.190 -5.162 -17.356 1.00 34.41 C ATOM 480 C GLY A 33 58.498 -3.913 -16.850 1.00 34.68 C ATOM 481 O GLY A 33 59.062 -2.818 -16.850 1.00 35.42 O ATOM 482 HA3 GLY A 33 59.490 -5.004 -18.392 1.00 0.00 H ATOM 483 HA2 GLY A 33 60.075 -5.346 -16.747 1.00 0.00 H ATOM 484 H GLY A 33 58.155 -6.789 -16.377 1.00 0.00 H ATOM 485 N LYS A 34 57.260 -4.092 -16.403 1.00 35.93 N ATOM 486 CA LYS A 34 56.471 -2.997 -15.862 1.00 31.77 C ATOM 487 C LYS A 34 56.858 -2.706 -14.418 1.00 30.23 C ATOM 488 O LYS A 34 56.975 -3.616 -13.581 1.00 27.18 O ATOM 489 CB LYS A 34 54.979 -3.310 -15.975 1.00 38.91 C ATOM 490 CG LYS A 34 54.096 -2.076 -15.853 1.00 45.24 C ATOM 491 CD LYS A 34 52.611 -2.419 -15.967 1.00 51.15 C ATOM 492 CE LYS A 34 51.753 -1.160 -15.919 1.00 50.42 C ATOM 493 NZ LYS A 34 52.003 -0.354 -14.684 1.00 57.42 N ATOM 494 HA LYS A 34 56.680 -2.102 -16.448 1.00 0.00 H ATOM 495 HB2 LYS A 34 54.795 -3.774 -16.944 1.00 0.00 H ATOM 496 HB3 LYS A 34 54.710 -4.008 -15.182 1.00 0.00 H ATOM 497 HG2 LYS A 34 54.276 -1.609 -14.885 1.00 0.00 H ATOM 498 HG3 LYS A 34 54.357 -1.376 -16.647 1.00 0.00 H ATOM 499 HD2 LYS A 34 52.436 -2.934 -16.911 1.00 0.00 H ATOM 500 HD3 LYS A 34 52.332 -3.073 -15.141 1.00 0.00 H ATOM 501 HE2 LYS A 34 50.702 -1.449 -15.943 1.00 0.00 H ATOM 502 HE3 LYS A 34 51.980 -0.547 -16.791 1.00 0.00 H ATOM 503 HZ1 LYS A 34 51.782 -0.929 -13.846 1.00 0.00 H ATOM 504 HZ2 LYS A 34 53.002 -0.067 -14.655 1.00 0.00 H ATOM 505 HZ3 LYS A 34 51.398 0.492 -14.695 1.00 0.00 H ATOM 506 H LYS A 34 56.843 -5.044 -16.441 1.00 0.00 H ATOM 507 N LYS A 35 57.108 -1.434 -14.145 1.00 26.71 N ATOM 508 CA LYS A 35 57.487 -0.973 -12.832 1.00 24.74 C ATOM 509 C LYS A 35 56.290 -0.949 -11.881 1.00 28.17 C ATOM 510 O LYS A 35 55.166 -0.630 -12.275 1.00 29.53 O ATOM 511 CB LYS A 35 58.077 0.424 -12.941 1.00 24.90 C ATOM 512 CG LYS A 35 58.731 0.920 -11.667 1.00 34.76 C ATOM 513 CD LYS A 35 58.958 2.425 -11.711 1.00 42.39 C ATOM 514 CE LYS A 35 59.629 2.851 -13.007 1.00 40.29 C ATOM 515 NZ LYS A 35 59.985 4.292 -12.971 1.00 43.93 N ATOM 516 HA LYS A 35 58.226 -1.664 -12.427 1.00 0.00 H ATOM 517 HB2 LYS A 35 58.827 0.418 -13.732 1.00 0.00 H ATOM 518 HB3 LYS A 35 57.276 1.114 -13.206 1.00 0.00 H ATOM 519 HG2 LYS A 35 58.086 0.682 -10.821 1.00 0.00 H ATOM 520 HG3 LYS A 35 59.691 0.419 -11.542 1.00 0.00 H ATOM 521 HD2 LYS A 35 57.996 2.931 -11.627 1.00 0.00 H ATOM 522 HD3 LYS A 35 59.592 2.712 -10.873 1.00 0.00 H ATOM 523 HE2 LYS A 35 58.947 2.672 -13.838 1.00 0.00 H ATOM 524 HE3 LYS A 35 60.535 2.263 -13.150 1.00 0.00 H ATOM 525 HZ1 LYS A 35 59.122 4.858 -12.839 1.00 0.00 H ATOM 526 HZ2 LYS A 35 60.640 4.466 -12.182 1.00 0.00 H ATOM 527 HZ3 LYS A 35 60.441 4.558 -13.867 1.00 0.00 H ATOM 528 H LYS A 35 57.027 -0.736 -14.912 1.00 0.00 H ATOM 529 N PHE A 36 56.539 -1.268 -10.619 1.00 24.50 N ATOM 530 CA PHE A 36 55.484 -1.262 -9.643 1.00 19.32 C ATOM 531 C PHE A 36 55.862 -0.516 -8.383 1.00 20.31 C ATOM 532 O PHE A 36 55.004 -0.157 -7.597 1.00 21.69 O ATOM 533 CB PHE A 36 55.007 -2.693 -9.339 1.00 19.26 C ATOM 534 CG PHE A 36 56.011 -3.571 -8.612 1.00 15.65 C ATOM 535 CD1 PHE A 36 56.581 -4.664 -9.257 1.00 13.53 C ATOM 536 CD2 PHE A 36 56.279 -3.386 -7.249 1.00 17.71 C ATOM 537 CE1 PHE A 36 57.395 -5.571 -8.561 1.00 13.61 C ATOM 538 CE2 PHE A 36 57.095 -4.289 -6.538 1.00 16.40 C ATOM 539 CZ PHE A 36 57.650 -5.383 -7.201 1.00 12.85 C ATOM 540 HA PHE A 36 54.648 -0.715 -10.079 1.00 0.00 H ATOM 541 HB2 PHE A 36 54.110 -2.626 -8.723 1.00 0.00 H ATOM 542 HB3 PHE A 36 54.761 -3.175 -10.285 1.00 0.00 H ATOM 543 HD2 PHE A 36 55.849 -2.529 -6.730 1.00 0.00 H ATOM 544 HE2 PHE A 36 57.291 -4.133 -5.477 1.00 0.00 H ATOM 545 HZ PHE A 36 58.280 -6.089 -6.660 1.00 0.00 H ATOM 546 HE1 PHE A 36 57.829 -6.424 -9.083 1.00 0.00 H ATOM 547 HD1 PHE A 36 56.392 -4.818 -10.319 1.00 0.00 H ATOM 548 H PHE A 36 57.505 -1.525 -10.333 1.00 0.00 H ATOM 549 N ASP A 37 57.153 -0.279 -8.182 1.00 18.42 N ATOM 550 CA ASP A 37 57.615 0.449 -6.993 1.00 17.59 C ATOM 551 C ASP A 37 59.003 0.983 -7.287 1.00 17.14 C ATOM 552 O ASP A 37 59.688 0.439 -8.143 1.00 19.29 O ATOM 553 CB ASP A 37 57.644 -0.467 -5.759 1.00 12.56 C ATOM 554 CG ASP A 37 57.694 0.306 -4.456 1.00 16.25 C ATOM 555 OD1 ASP A 37 57.512 1.551 -4.465 1.00 15.36 O ATOM 556 OD2 ASP A 37 57.905 -0.330 -3.402 1.00 18.16 O ATOM 557 HA ASP A 37 56.929 1.267 -6.771 1.00 0.00 H ATOM 558 HB2 ASP A 37 56.747 -1.086 -5.763 1.00 0.00 H ATOM 559 HB3 ASP A 37 58.525 -1.106 -5.820 1.00 0.00 H ATOM 560 H ASP A 37 57.849 -0.615 -8.878 1.00 0.00 H ATOM 561 N SER A 38 59.392 2.073 -6.637 1.00 18.03 N ATOM 562 CA SER A 38 60.717 2.623 -6.873 1.00 22.43 C ATOM 563 C SER A 38 61.127 3.760 -5.950 1.00 20.79 C ATOM 564 O SER A 38 60.583 4.859 -6.034 1.00 24.12 O ATOM 565 CB SER A 38 60.840 3.065 -8.325 1.00 27.56 C ATOM 566 OG SER A 38 62.119 3.605 -8.579 1.00 27.63 O ATOM 567 HA SER A 38 61.408 1.811 -6.646 1.00 0.00 H ATOM 568 HB2 SER A 38 60.084 3.822 -8.533 1.00 0.00 H ATOM 569 HB3 SER A 38 60.679 2.205 -8.975 1.00 0.00 H ATOM 570 HG SER A 38 62.808 2.919 -8.395 1.00 0.00 H ATOM 571 H SER A 38 58.750 2.533 -5.960 1.00 0.00 H ATOM 572 N SER A 39 62.148 3.512 -5.132 1.00 18.79 N ATOM 573 CA SER A 39 62.666 4.507 -4.195 1.00 19.53 C ATOM 574 C SER A 39 63.339 5.610 -4.981 1.00 19.78 C ATOM 575 O SER A 39 63.536 6.717 -4.477 1.00 22.75 O ATOM 576 CB SER A 39 63.700 3.875 -3.266 1.00 18.71 C ATOM 577 OG SER A 39 64.731 3.290 -4.033 1.00 7.52 O ATOM 578 HA SER A 39 61.841 4.900 -3.601 1.00 0.00 H ATOM 579 HB2 SER A 39 63.221 3.108 -2.657 1.00 0.00 H ATOM 580 HB3 SER A 39 64.121 4.642 -2.616 1.00 0.00 H ATOM 581 HG SER A 39 65.166 3.987 -4.585 1.00 0.00 H ATOM 582 H SER A 39 62.595 2.573 -5.161 1.00 0.00 H ATOM 583 N ARG A 40 63.708 5.294 -6.215 1.00 23.62 N ATOM 584 CA ARG A 40 64.357 6.270 -7.080 1.00 29.16 C ATOM 585 C ARG A 40 63.384 7.386 -7.457 1.00 33.22 C ATOM 586 O ARG A 40 63.751 8.558 -7.417 1.00 34.03 O ATOM 587 CB ARG A 40 64.942 5.593 -8.327 1.00 29.65 C ATOM 588 CG ARG A 40 66.018 4.549 -8.013 1.00 32.22 C ATOM 589 CD ARG A 40 66.630 3.915 -9.259 1.00 35.06 C ATOM 590 NE ARG A 40 67.764 3.060 -8.910 1.00 41.56 N ATOM 591 CZ ARG A 40 68.944 3.517 -8.487 1.00 44.70 C ATOM 592 NH1 ARG A 40 69.153 4.828 -8.365 1.00 49.38 N ATOM 593 NH2 ARG A 40 69.916 2.676 -8.151 1.00 48.00 N ATOM 594 HA ARG A 40 65.184 6.719 -6.531 1.00 0.00 H ATOM 595 HB2 ARG A 40 64.131 5.101 -8.864 1.00 0.00 H ATOM 596 HB3 ARG A 40 65.383 6.362 -8.962 1.00 0.00 H ATOM 597 HG2 ARG A 40 66.813 5.032 -7.445 1.00 0.00 H ATOM 598 HG3 ARG A 40 65.569 3.761 -7.409 1.00 0.00 H ATOM 599 HD2 ARG A 40 66.971 4.704 -9.930 1.00 0.00 H ATOM 600 HD3 ARG A 40 65.872 3.315 -9.762 1.00 0.00 H ATOM 601 HE ARG A 40 67.643 2.031 -8.997 1.00 0.00 H ATOM 602 HH12 ARG A 40 70.075 5.179 -8.035 1.00 0.00 H ATOM 603 HH11 ARG A 40 68.394 5.500 -8.600 1.00 0.00 H ATOM 604 HH22 ARG A 40 70.832 3.044 -7.823 1.00 0.00 H ATOM 605 HH21 ARG A 40 69.761 1.650 -8.216 1.00 0.00 H ATOM 606 H ARG A 40 63.531 4.333 -6.571 1.00 0.00 H ATOM 607 N ASP A 41 62.138 7.026 -7.773 1.00 34.78 N ATOM 608 CA ASP A 41 61.126 8.020 -8.138 1.00 38.28 C ATOM 609 C ASP A 41 60.814 8.906 -6.942 1.00 37.38 C ATOM 610 O ASP A 41 60.549 10.100 -7.081 1.00 41.88 O ATOM 611 CB ASP A 41 59.835 7.364 -8.653 1.00 36.62 C ATOM 612 CG ASP A 41 60.028 6.660 -9.982 1.00 38.99 C ATOM 613 OD1 ASP A 41 59.473 5.550 -10.161 1.00 29.28 O ATOM 614 OD2 ASP A 41 60.744 7.208 -10.847 1.00 42.86 O ATOM 615 HA ASP A 41 61.535 8.624 -8.948 1.00 0.00 H ATOM 616 HB2 ASP A 41 59.496 6.635 -7.917 1.00 0.00 H ATOM 617 HB3 ASP A 41 59.075 8.136 -8.774 1.00 0.00 H ATOM 618 H ASP A 41 61.880 6.018 -7.760 1.00 0.00 H ATOM 619 N ARG A 42 60.848 8.313 -5.757 1.00 35.23 N ATOM 620 CA ARG A 42 60.583 9.071 -4.547 1.00 33.70 C ATOM 621 C ARG A 42 61.817 9.842 -4.113 1.00 33.37 C ATOM 622 O ARG A 42 61.752 10.651 -3.187 1.00 33.86 O ATOM 623 CB ARG A 42 60.071 8.147 -3.438 1.00 33.49 C ATOM 624 CG ARG A 42 58.667 7.596 -3.726 1.00 37.62 C ATOM 625 CD ARG A 42 58.129 6.801 -2.555 1.00 39.67 C ATOM 626 NE ARG A 42 58.779 5.493 -2.463 1.00 51.05 N ATOM 627 CZ ARG A 42 58.301 4.383 -3.020 1.00 55.58 C ATOM 628 NH1 ARG A 42 57.164 4.397 -3.708 1.00 56.60 N ATOM 629 NH2 ARG A 42 59.000 3.257 -2.926 1.00 62.48 N ATOM 630 HA ARG A 42 59.801 9.801 -4.756 1.00 0.00 H ATOM 631 HB2 ARG A 42 60.761 7.309 -3.336 1.00 0.00 H ATOM 632 HB3 ARG A 42 60.041 8.707 -2.503 1.00 0.00 H ATOM 633 HG2 ARG A 42 57.994 8.429 -3.927 1.00 0.00 H ATOM 634 HG3 ARG A 42 58.713 6.949 -4.602 1.00 0.00 H ATOM 635 HD2 ARG A 42 57.056 6.657 -2.685 1.00 0.00 H ATOM 636 HD3 ARG A 42 58.312 7.355 -1.634 1.00 0.00 H ATOM 637 HE ARG A 42 59.669 5.427 -1.929 1.00 0.00 H ATOM 638 HH12 ARG A 42 56.805 3.520 -4.137 1.00 0.00 H ATOM 639 HH11 ARG A 42 56.633 5.285 -3.818 1.00 0.00 H ATOM 640 HH22 ARG A 42 58.638 2.383 -3.357 1.00 0.00 H ATOM 641 HH21 ARG A 42 59.909 3.250 -2.422 1.00 0.00 H ATOM 642 H ARG A 42 61.066 7.298 -5.693 1.00 0.00 H ATOM 643 N ASN A 43 62.945 9.559 -4.772 1.00 33.24 N ATOM 644 CA ASN A 43 64.215 10.233 -4.506 1.00 34.59 C ATOM 645 C ASN A 43 64.584 10.160 -3.024 1.00 33.50 C ATOM 646 O ASN A 43 65.019 11.137 -2.424 1.00 32.64 O ATOM 647 CB ASN A 43 64.119 11.687 -4.980 1.00 39.99 C ATOM 648 CG ASN A 43 65.398 12.451 -4.780 1.00 46.63 C ATOM 649 OD1 ASN A 43 66.360 12.275 -5.528 1.00 51.59 O ATOM 650 ND2 ASN A 43 65.419 13.316 -3.772 1.00 44.88 N ATOM 651 HA ASN A 43 65.008 9.727 -5.056 1.00 0.00 H ATOM 652 HB2 ASN A 43 63.873 11.692 -6.042 1.00 0.00 H ATOM 653 HB3 ASN A 43 63.325 12.184 -4.422 1.00 0.00 H ATOM 654 HD22 ASN A 43 64.581 13.430 -3.167 1.00 0.00 H ATOM 655 HD21 ASN A 43 66.274 13.879 -3.588 1.00 0.00 H ATOM 656 H ASN A 43 62.918 8.825 -5.508 1.00 0.00 H ATOM 657 N LYS A 44 64.362 8.993 -2.433 1.00 34.39 N ATOM 658 CA LYS A 44 64.660 8.762 -1.028 1.00 33.74 C ATOM 659 C LYS A 44 65.024 7.288 -0.898 1.00 32.51 C ATOM 660 O LYS A 44 64.269 6.417 -1.335 1.00 31.04 O ATOM 661 CB LYS A 44 63.446 9.095 -0.151 1.00 32.45 C ATOM 662 CG LYS A 44 63.737 9.049 1.341 1.00 34.98 C ATOM 663 CD LYS A 44 64.860 10.021 1.708 1.00 39.58 C ATOM 664 CE LYS A 44 65.063 10.122 3.219 1.00 42.85 C ATOM 665 NZ LYS A 44 66.064 11.154 3.612 1.00 38.32 N ATOM 666 HA LYS A 44 65.478 9.401 -0.694 1.00 0.00 H ATOM 667 HB2 LYS A 44 63.103 10.098 -0.404 1.00 0.00 H ATOM 668 HB3 LYS A 44 62.656 8.377 -0.370 1.00 0.00 H ATOM 669 HG2 LYS A 44 62.835 9.321 1.889 1.00 0.00 H ATOM 670 HG3 LYS A 44 64.036 8.037 1.616 1.00 0.00 H ATOM 671 HD2 LYS A 44 65.787 9.676 1.251 1.00 0.00 H ATOM 672 HD3 LYS A 44 64.611 11.009 1.320 1.00 0.00 H ATOM 673 HE2 LYS A 44 65.401 9.154 3.588 1.00 0.00 H ATOM 674 HE3 LYS A 44 64.108 10.373 3.681 1.00 0.00 H ATOM 675 HZ1 LYS A 44 66.984 10.922 3.187 1.00 0.00 H ATOM 676 HZ2 LYS A 44 65.750 12.086 3.275 1.00 0.00 H ATOM 677 HZ3 LYS A 44 66.154 11.171 4.648 1.00 0.00 H ATOM 678 H LYS A 44 63.960 8.215 -2.995 1.00 0.00 H ATOM 679 N PRO A 45 66.223 6.998 -0.365 1.00 30.91 N ATOM 680 CA PRO A 45 66.670 5.614 -0.204 1.00 24.80 C ATOM 681 C PRO A 45 65.867 4.903 0.862 1.00 21.19 C ATOM 682 O PRO A 45 65.402 5.517 1.807 1.00 19.43 O ATOM 683 CB PRO A 45 68.138 5.770 0.205 1.00 27.37 C ATOM 684 CG PRO A 45 68.521 7.099 -0.375 1.00 29.21 C ATOM 685 CD PRO A 45 67.314 7.931 -0.037 1.00 29.29 C ATOM 686 HA PRO A 45 66.543 5.011 -1.103 1.00 0.00 H ATOM 687 HD3 PRO A 45 67.301 8.207 1.017 1.00 0.00 H ATOM 688 HD2 PRO A 45 67.266 8.833 -0.648 1.00 0.00 H ATOM 689 HG3 PRO A 45 68.672 7.035 -1.453 1.00 0.00 H ATOM 690 HG2 PRO A 45 69.422 7.494 0.094 1.00 0.00 H ATOM 691 HB2 PRO A 45 68.243 5.773 1.290 1.00 0.00 H ATOM 692 HB3 PRO A 45 68.748 4.970 -0.216 1.00 0.00 H ATOM 693 N PHE A 46 65.718 3.599 0.683 1.00 17.61 N ATOM 694 CA PHE A 46 64.988 2.735 1.593 1.00 17.03 C ATOM 695 C PHE A 46 65.966 2.080 2.562 1.00 16.16 C ATOM 696 O PHE A 46 67.048 1.684 2.156 1.00 20.48 O ATOM 697 CB PHE A 46 64.272 1.663 0.764 1.00 15.31 C ATOM 698 CG PHE A 46 63.504 0.674 1.580 1.00 17.36 C ATOM 699 CD1 PHE A 46 63.865 -0.674 1.583 1.00 15.31 C ATOM 700 CD2 PHE A 46 62.408 1.082 2.340 1.00 17.75 C ATOM 701 CE1 PHE A 46 63.141 -1.610 2.337 1.00 18.21 C ATOM 702 CE2 PHE A 46 61.683 0.162 3.091 1.00 17.23 C ATOM 703 CZ PHE A 46 62.052 -1.193 3.088 1.00 17.98 C ATOM 704 HA PHE A 46 64.260 3.309 2.165 1.00 0.00 H ATOM 705 HB2 PHE A 46 63.578 2.160 0.086 1.00 0.00 H ATOM 706 HB3 PHE A 46 65.020 1.122 0.184 1.00 0.00 H ATOM 707 HD2 PHE A 46 62.116 2.132 2.346 1.00 0.00 H ATOM 708 HE2 PHE A 46 60.829 0.493 3.682 1.00 0.00 H ATOM 709 HZ PHE A 46 61.484 -1.915 3.674 1.00 0.00 H ATOM 710 HE1 PHE A 46 63.433 -2.660 2.333 1.00 0.00 H ATOM 711 HD1 PHE A 46 64.720 -1.004 0.992 1.00 0.00 H ATOM 712 H PHE A 46 66.150 3.169 -0.160 1.00 0.00 H ATOM 713 N LYS A 47 65.570 1.917 3.823 1.00 14.94 N ATOM 714 CA LYS A 47 66.412 1.290 4.840 1.00 13.77 C ATOM 715 C LYS A 47 65.695 0.122 5.506 1.00 17.33 C ATOM 716 O LYS A 47 64.519 0.229 5.840 1.00 12.34 O ATOM 717 CB LYS A 47 66.735 2.282 5.954 1.00 14.54 C ATOM 718 CG LYS A 47 67.355 3.601 5.526 1.00 19.05 C ATOM 719 CD LYS A 47 67.826 4.319 6.778 1.00 19.73 C ATOM 720 CE LYS A 47 68.531 5.630 6.484 1.00 20.09 C ATOM 721 NZ LYS A 47 69.049 6.189 7.784 1.00 22.32 N ATOM 722 HA LYS A 47 67.315 0.952 4.331 1.00 0.00 H ATOM 723 HB2 LYS A 47 65.806 2.507 6.478 1.00 0.00 H ATOM 724 HB3 LYS A 47 67.429 1.796 6.640 1.00 0.00 H ATOM 725 HG2 LYS A 47 68.201 3.416 4.864 1.00 0.00 H ATOM 726 HG3 LYS A 47 66.614 4.208 5.006 1.00 0.00 H ATOM 727 HD2 LYS A 47 66.960 4.524 7.407 1.00 0.00 H ATOM 728 HD3 LYS A 47 68.516 3.667 7.313 1.00 0.00 H ATOM 729 HE2 LYS A 47 67.830 6.333 6.033 1.00 0.00 H ATOM 730 HE3 LYS A 47 69.361 5.457 5.800 1.00 0.00 H ATOM 731 HZ1 LYS A 47 68.252 6.349 8.433 1.00 0.00 H ATOM 732 HZ2 LYS A 47 69.714 5.513 8.210 1.00 0.00 H ATOM 733 HZ3 LYS A 47 69.537 7.090 7.603 1.00 0.00 H ATOM 734 H LYS A 47 64.623 2.249 4.095 1.00 0.00 H ATOM 735 N PHE A 48 66.425 -0.952 5.776 1.00 14.64 N ATOM 736 CA PHE A 48 65.867 -2.123 6.455 1.00 17.34 C ATOM 737 C PHE A 48 66.980 -2.885 7.189 1.00 19.87 C ATOM 738 O PHE A 48 68.115 -2.972 6.698 1.00 23.91 O ATOM 739 CB PHE A 48 65.171 -3.062 5.460 1.00 9.36 C ATOM 740 CG PHE A 48 66.123 -3.824 4.575 1.00 16.32 C ATOM 741 CD1 PHE A 48 66.593 -5.087 4.955 1.00 15.82 C ATOM 742 CD2 PHE A 48 66.535 -3.296 3.359 1.00 14.65 C ATOM 743 CE1 PHE A 48 67.450 -5.803 4.120 1.00 11.65 C ATOM 744 CE2 PHE A 48 67.390 -4.012 2.527 1.00 17.71 C ATOM 745 CZ PHE A 48 67.845 -5.265 2.915 1.00 9.44 C ATOM 746 HA PHE A 48 65.127 -1.773 7.174 1.00 0.00 H ATOM 747 HB2 PHE A 48 64.576 -3.780 6.024 1.00 0.00 H ATOM 748 HB3 PHE A 48 64.514 -2.466 4.826 1.00 0.00 H ATOM 749 HD2 PHE A 48 66.185 -2.310 3.053 1.00 0.00 H ATOM 750 HE2 PHE A 48 67.702 -3.590 1.572 1.00 0.00 H ATOM 751 HZ PHE A 48 68.517 -5.825 2.264 1.00 0.00 H ATOM 752 HE1 PHE A 48 67.807 -6.788 4.421 1.00 0.00 H ATOM 753 HD1 PHE A 48 66.287 -5.514 5.910 1.00 0.00 H ATOM 754 H PHE A 48 67.427 -0.963 5.496 1.00 0.00 H ATOM 755 N MET A 49 66.665 -3.475 8.331 1.00 20.42 N ATOM 756 CA MET A 49 67.665 -4.229 9.077 1.00 24.46 C ATOM 757 C MET A 49 67.688 -5.673 8.615 1.00 23.45 C ATOM 758 O MET A 49 66.654 -6.352 8.648 1.00 22.19 O ATOM 759 CB MET A 49 67.368 -4.176 10.574 1.00 31.73 C ATOM 760 CG MET A 49 68.386 -4.913 11.420 1.00 34.72 C ATOM 761 SD MET A 49 68.132 -4.564 13.147 1.00 37.89 S ATOM 762 CE MET A 49 68.338 -2.760 13.119 1.00 38.57 C ATOM 763 HA MET A 49 68.640 -3.778 8.892 1.00 0.00 H ATOM 764 HB2 MET A 49 67.352 -3.132 10.886 1.00 0.00 H ATOM 765 HB3 MET A 49 66.388 -4.621 10.747 1.00 0.00 H ATOM 766 HG2 MET A 49 69.388 -4.595 11.133 1.00 0.00 H ATOM 767 HG3 MET A 49 68.284 -5.985 11.252 1.00 0.00 H ATOM 768 HE1 MET A 49 69.336 -2.515 12.755 1.00 0.00 H ATOM 769 HE2 MET A 49 67.591 -2.320 12.459 1.00 0.00 H ATOM 770 HE3 MET A 49 68.211 -2.365 14.127 1.00 0.00 H ATOM 771 H MET A 49 65.695 -3.400 8.699 1.00 0.00 H ATOM 772 N LEU A 50 68.857 -6.153 8.202 1.00 21.20 N ATOM 773 CA LEU A 50 68.997 -7.520 7.726 1.00 21.27 C ATOM 774 C LEU A 50 68.701 -8.469 8.853 1.00 21.67 C ATOM 775 O LEU A 50 69.199 -8.291 9.961 1.00 20.53 O ATOM 776 CB LEU A 50 70.407 -7.790 7.200 1.00 22.74 C ATOM 777 CG LEU A 50 70.666 -9.031 6.331 1.00 23.56 C ATOM 778 CD1 LEU A 50 69.898 -8.924 5.024 1.00 15.93 C ATOM 779 CD2 LEU A 50 72.152 -9.154 6.029 1.00 21.53 C ATOM 780 HA LEU A 50 68.294 -7.667 6.906 1.00 0.00 H ATOM 781 HB2 LEU A 50 70.696 -6.922 6.608 1.00 0.00 H ATOM 782 HB3 LEU A 50 71.060 -7.869 8.069 1.00 0.00 H ATOM 783 HG LEU A 50 70.331 -9.913 6.877 1.00 0.00 H ATOM 784 HD21 LEU A 50 72.488 -8.265 5.495 1.00 0.00 H ATOM 785 HD22 LEU A 50 72.705 -9.248 6.964 1.00 0.00 H ATOM 786 HD23 LEU A 50 72.324 -10.036 5.413 1.00 0.00 H ATOM 787 HD11 LEU A 50 68.831 -8.852 5.236 1.00 0.00 H ATOM 788 HD12 LEU A 50 70.224 -8.035 4.484 1.00 0.00 H ATOM 789 HD13 LEU A 50 70.090 -9.809 4.418 1.00 0.00 H ATOM 790 H LEU A 50 69.693 -5.535 8.220 1.00 0.00 H ATOM 791 N GLY A 51 67.853 -9.457 8.565 1.00 24.12 N ATOM 792 CA GLY A 51 67.477 -10.456 9.549 1.00 28.07 C ATOM 793 C GLY A 51 66.151 -10.255 10.270 1.00 30.13 C ATOM 794 O GLY A 51 65.606 -11.220 10.804 1.00 30.71 O ATOM 795 HA3 GLY A 51 68.261 -10.484 10.305 1.00 0.00 H ATOM 796 HA2 GLY A 51 67.431 -11.418 9.039 1.00 0.00 H ATOM 797 H GLY A 51 67.449 -9.514 7.608 1.00 0.00 H ATOM 798 N LYS A 52 65.611 -9.036 10.277 1.00 28.27 N ATOM 799 CA LYS A 52 64.350 -8.775 10.972 1.00 29.31 C ATOM 800 C LYS A 52 63.082 -9.050 10.146 1.00 30.56 C ATOM 801 O LYS A 52 61.996 -8.569 10.476 1.00 32.12 O ATOM 802 CB LYS A 52 64.332 -7.347 11.520 1.00 29.16 C ATOM 803 CG LYS A 52 65.416 -7.075 12.539 1.00 34.91 C ATOM 804 CD LYS A 52 65.315 -8.005 13.745 1.00 39.92 C ATOM 805 CE LYS A 52 66.608 -8.003 14.572 1.00 47.55 C ATOM 806 NZ LYS A 52 67.819 -8.459 13.778 1.00 50.10 N ATOM 807 HA LYS A 52 64.318 -9.496 11.789 1.00 0.00 H ATOM 808 HB2 LYS A 52 64.461 -6.656 10.687 1.00 0.00 H ATOM 809 HB3 LYS A 52 63.365 -7.170 11.990 1.00 0.00 H ATOM 810 HG2 LYS A 52 66.388 -7.217 12.066 1.00 0.00 H ATOM 811 HG3 LYS A 52 65.327 -6.044 12.881 1.00 0.00 H ATOM 812 HD2 LYS A 52 64.490 -7.676 14.377 1.00 0.00 H ATOM 813 HD3 LYS A 52 65.121 -9.019 13.395 1.00 0.00 H ATOM 814 HE2 LYS A 52 66.478 -8.672 15.423 1.00 0.00 H ATOM 815 HE3 LYS A 52 66.789 -6.990 14.932 1.00 0.00 H ATOM 816 HZ1 LYS A 52 67.663 -9.429 13.436 1.00 0.00 H ATOM 817 HZ2 LYS A 52 67.960 -7.823 12.967 1.00 0.00 H ATOM 818 HZ3 LYS A 52 68.661 -8.437 14.388 1.00 0.00 H ATOM 819 H LYS A 52 66.093 -8.259 9.781 1.00 0.00 H ATOM 820 N GLN A 53 63.236 -9.801 9.059 1.00 28.91 N ATOM 821 CA GLN A 53 62.128 -10.164 8.177 1.00 25.85 C ATOM 822 C GLN A 53 61.155 -9.044 7.784 1.00 24.15 C ATOM 823 O GLN A 53 59.985 -9.291 7.535 1.00 21.72 O ATOM 824 CB GLN A 53 61.377 -11.365 8.760 1.00 27.23 C ATOM 825 CG GLN A 53 62.266 -12.590 8.936 1.00 31.29 C ATOM 826 CD GLN A 53 61.519 -13.811 9.428 1.00 37.58 C ATOM 827 OE1 GLN A 53 60.428 -14.126 8.948 1.00 43.80 O ATOM 828 NE2 GLN A 53 62.109 -14.513 10.384 1.00 39.11 N ATOM 829 HA GLN A 53 62.605 -10.416 7.230 1.00 0.00 H ATOM 830 HB2 GLN A 53 60.974 -11.085 9.733 1.00 0.00 H ATOM 831 HB3 GLN A 53 60.558 -11.623 8.089 1.00 0.00 H ATOM 832 HG2 GLN A 53 62.721 -12.828 7.975 1.00 0.00 H ATOM 833 HG3 GLN A 53 63.047 -12.349 9.657 1.00 0.00 H ATOM 834 HE22 GLN A 53 63.030 -14.209 10.759 1.00 0.00 H ATOM 835 HE21 GLN A 53 61.651 -15.368 10.759 1.00 0.00 H ATOM 836 H GLN A 53 64.189 -10.146 8.826 1.00 0.00 H ATOM 837 N GLU A 54 61.654 -7.819 7.675 1.00 20.93 N ATOM 838 CA GLU A 54 60.804 -6.702 7.289 1.00 19.16 C ATOM 839 C GLU A 54 60.726 -6.443 5.790 1.00 14.03 C ATOM 840 O GLU A 54 60.175 -5.429 5.359 1.00 14.98 O ATOM 841 CB GLU A 54 61.172 -5.421 8.048 1.00 23.17 C ATOM 842 CG GLU A 54 62.642 -5.168 8.244 1.00 32.13 C ATOM 843 CD GLU A 54 62.906 -4.065 9.257 1.00 38.93 C ATOM 844 OE1 GLU A 54 62.309 -4.101 10.360 1.00 41.32 O ATOM 845 OE2 GLU A 54 63.715 -3.163 8.950 1.00 34.64 O ATOM 846 HA GLU A 54 59.800 -7.011 7.580 1.00 0.00 H ATOM 847 HB2 GLU A 54 60.759 -4.576 7.497 1.00 0.00 H ATOM 848 HB3 GLU A 54 60.708 -5.472 9.033 1.00 0.00 H ATOM 849 HG2 GLU A 54 63.113 -6.087 8.594 1.00 0.00 H ATOM 850 HG3 GLU A 54 63.079 -4.879 7.288 1.00 0.00 H ATOM 851 H GLU A 54 62.663 -7.655 7.867 1.00 0.00 H ATOM 852 N VAL A 55 61.343 -7.330 5.013 1.00 12.40 N ATOM 853 CA VAL A 55 61.330 -7.263 3.545 1.00 10.42 C ATOM 854 C VAL A 55 61.200 -8.735 3.134 1.00 6.25 C ATOM 855 O VAL A 55 61.380 -9.630 3.950 1.00 10.25 O ATOM 856 CB VAL A 55 62.662 -6.686 2.913 1.00 17.59 C ATOM 857 CG1 VAL A 55 62.844 -5.221 3.240 1.00 13.08 C ATOM 858 CG2 VAL A 55 63.868 -7.490 3.371 1.00 10.18 C ATOM 859 HA VAL A 55 60.537 -6.599 3.201 1.00 0.00 H ATOM 860 HB VAL A 55 62.576 -6.775 1.830 1.00 0.00 H ATOM 861 HG11 VAL A 55 62.001 -4.654 2.844 1.00 0.00 H ATOM 862 HG12 VAL A 55 62.893 -5.095 4.322 1.00 0.00 H ATOM 863 HG13 VAL A 55 63.769 -4.862 2.789 1.00 0.00 H ATOM 864 HG21 VAL A 55 63.944 -7.442 4.457 1.00 0.00 H ATOM 865 HG22 VAL A 55 63.751 -8.528 3.059 1.00 0.00 H ATOM 866 HG23 VAL A 55 64.771 -7.075 2.924 1.00 0.00 H ATOM 867 H VAL A 55 61.860 -8.110 5.467 1.00 0.00 H ATOM 868 N ILE A 56 60.936 -8.988 1.863 1.00 9.76 N ATOM 869 CA ILE A 56 60.772 -10.339 1.383 1.00 10.70 C ATOM 870 C ILE A 56 62.028 -11.187 1.525 1.00 16.06 C ATOM 871 O ILE A 56 63.141 -10.667 1.517 1.00 16.84 O ATOM 872 CB ILE A 56 60.291 -10.348 -0.062 1.00 10.35 C ATOM 873 CG1 ILE A 56 61.337 -9.754 -1.001 1.00 10.42 C ATOM 874 CG2 ILE A 56 58.979 -9.562 -0.149 1.00 6.40 C ATOM 875 CD1 ILE A 56 60.972 -9.909 -2.466 1.00 9.75 C ATOM 876 HA ILE A 56 60.013 -10.794 2.020 1.00 0.00 H ATOM 877 HB ILE A 56 60.127 -11.379 -0.376 1.00 0.00 H ATOM 878 HG12 ILE A 56 61.441 -8.692 -0.779 1.00 0.00 H ATOM 879 HG13 ILE A 56 62.288 -10.256 -0.824 1.00 0.00 H ATOM 880 HD11 ILE A 56 60.874 -10.968 -2.705 1.00 0.00 H ATOM 881 HD12 ILE A 56 60.026 -9.403 -2.659 1.00 0.00 H ATOM 882 HD13 ILE A 56 61.755 -9.467 -3.083 1.00 0.00 H ATOM 883 HG21 ILE A 56 58.233 -10.031 0.493 1.00 0.00 H ATOM 884 HG22 ILE A 56 59.149 -8.536 0.178 1.00 0.00 H ATOM 885 HG23 ILE A 56 58.625 -9.562 -1.180 1.00 0.00 H ATOM 886 H ILE A 56 60.845 -8.196 1.195 1.00 0.00 H ATOM 887 N ARG A 57 61.844 -12.499 1.612 1.00 15.53 N ATOM 888 CA ARG A 57 62.948 -13.426 1.770 1.00 17.75 C ATOM 889 C ARG A 57 64.036 -13.202 0.736 1.00 20.74 C ATOM 890 O ARG A 57 65.213 -13.142 1.096 1.00 14.27 O ATOM 891 CB ARG A 57 62.454 -14.874 1.731 1.00 19.04 C ATOM 892 CG ARG A 57 63.586 -15.894 1.681 1.00 26.32 C ATOM 893 CD ARG A 57 63.124 -17.324 1.919 1.00 36.02 C ATOM 894 NE ARG A 57 63.502 -17.774 3.256 1.00 45.08 N ATOM 895 CZ ARG A 57 63.664 -19.048 3.614 1.00 48.45 C ATOM 896 NH1 ARG A 57 64.014 -19.335 4.866 1.00 47.46 N ATOM 897 NH2 ARG A 57 63.478 -20.028 2.736 1.00 50.39 N ATOM 898 HA ARG A 57 63.388 -13.235 2.749 1.00 0.00 H ATOM 899 HB2 ARG A 57 61.858 -15.061 2.624 1.00 0.00 H ATOM 900 HB3 ARG A 57 61.831 -15.004 0.846 1.00 0.00 H ATOM 901 HG2 ARG A 57 64.055 -15.841 0.699 1.00 0.00 H ATOM 902 HG3 ARG A 57 64.318 -15.636 2.446 1.00 0.00 H ATOM 903 HD2 ARG A 57 63.585 -17.977 1.178 1.00 0.00 H ATOM 904 HD3 ARG A 57 62.040 -17.371 1.819 1.00 0.00 H ATOM 905 HE ARG A 57 63.656 -17.046 3.983 1.00 0.00 H ATOM 906 HH12 ARG A 57 64.143 -20.325 5.156 1.00 0.00 H ATOM 907 HH11 ARG A 57 64.158 -18.569 5.554 1.00 0.00 H ATOM 908 HH22 ARG A 57 63.607 -21.018 3.027 1.00 0.00 H ATOM 909 HH21 ARG A 57 63.203 -19.805 1.758 1.00 0.00 H ATOM 910 H ARG A 57 60.875 -12.875 1.565 1.00 0.00 H ATOM 911 N GLY A 58 63.626 -13.025 -0.518 1.00 19.31 N ATOM 912 CA GLY A 58 64.550 -12.800 -1.615 1.00 19.46 C ATOM 913 C GLY A 58 65.529 -11.641 -1.460 1.00 19.61 C ATOM 914 O GLY A 58 66.624 -11.714 -2.001 1.00 13.95 O ATOM 915 HA3 GLY A 58 63.959 -12.616 -2.512 1.00 0.00 H ATOM 916 HA2 GLY A 58 65.134 -13.711 -1.747 1.00 0.00 H ATOM 917 H GLY A 58 62.606 -13.049 -0.719 1.00 0.00 H ATOM 918 N TRP A 59 65.122 -10.569 -0.775 1.00 15.99 N ATOM 919 CA TRP A 59 65.965 -9.393 -0.530 1.00 15.61 C ATOM 920 C TRP A 59 66.942 -9.729 0.598 1.00 17.60 C ATOM 921 O TRP A 59 68.119 -9.367 0.547 1.00 17.18 O ATOM 922 CB TRP A 59 65.120 -8.180 -0.095 1.00 10.11 C ATOM 923 CG TRP A 59 64.680 -7.272 -1.208 1.00 2.18 C ATOM 924 CD1 TRP A 59 64.273 -7.632 -2.453 1.00 7.30 C ATOM 925 CD2 TRP A 59 64.662 -5.846 -1.171 1.00 4.88 C ATOM 926 NE1 TRP A 59 64.009 -6.518 -3.204 1.00 4.72 N ATOM 927 CE2 TRP A 59 64.233 -5.404 -2.446 1.00 2.23 C ATOM 928 CE3 TRP A 59 64.965 -4.889 -0.196 1.00 10.07 C ATOM 929 CZ2 TRP A 59 64.109 -4.051 -2.771 1.00 9.62 C ATOM 930 CZ3 TRP A 59 64.844 -3.540 -0.512 1.00 12.46 C ATOM 931 CH2 TRP A 59 64.412 -3.135 -1.796 1.00 13.08 C ATOM 932 HA TRP A 59 66.488 -9.140 -1.452 1.00 0.00 H ATOM 933 HB2 TRP A 59 64.228 -8.554 0.408 1.00 0.00 H ATOM 934 HB3 TRP A 59 65.711 -7.591 0.606 1.00 0.00 H ATOM 935 HE1 TRP A 59 63.689 -6.520 -4.194 1.00 0.00 H ATOM 936 HD1 TRP A 59 64.171 -8.659 -2.803 1.00 0.00 H ATOM 937 HZ2 TRP A 59 63.784 -3.735 -3.762 1.00 0.00 H ATOM 938 HH2 TRP A 59 64.318 -2.072 -2.016 1.00 0.00 H ATOM 939 HZ3 TRP A 59 65.085 -2.787 0.238 1.00 0.00 H ATOM 940 HE3 TRP A 59 65.291 -5.197 0.797 1.00 0.00 H ATOM 941 H TRP A 59 64.154 -10.568 -0.394 1.00 0.00 H ATOM 942 N GLU A 60 66.452 -10.414 1.619 1.00 17.42 N ATOM 943 CA GLU A 60 67.325 -10.766 2.717 1.00 19.95 C ATOM 944 C GLU A 60 68.437 -11.743 2.298 1.00 21.55 C ATOM 945 O GLU A 60 69.537 -11.729 2.869 1.00 23.12 O ATOM 946 CB GLU A 60 66.522 -11.282 3.912 1.00 21.95 C ATOM 947 CG GLU A 60 65.848 -10.138 4.664 1.00 27.62 C ATOM 948 CD GLU A 60 65.573 -10.429 6.127 1.00 25.83 C ATOM 949 OE1 GLU A 60 65.077 -9.529 6.823 1.00 31.76 O ATOM 950 OE2 GLU A 60 65.843 -11.543 6.607 1.00 36.08 O ATOM 951 HA GLU A 60 67.833 -9.854 3.030 1.00 0.00 H ATOM 952 HB2 GLU A 60 65.757 -11.972 3.555 1.00 0.00 H ATOM 953 HB3 GLU A 60 67.194 -11.807 4.591 1.00 0.00 H ATOM 954 HG2 GLU A 60 66.495 -9.263 4.605 1.00 0.00 H ATOM 955 HG3 GLU A 60 64.899 -9.920 4.175 1.00 0.00 H ATOM 956 H GLU A 60 65.451 -10.696 1.632 1.00 0.00 H ATOM 957 N GLU A 61 68.173 -12.561 1.285 1.00 16.12 N ATOM 958 CA GLU A 61 69.178 -13.512 0.840 1.00 16.78 C ATOM 959 C GLU A 61 70.030 -12.974 -0.288 1.00 18.67 C ATOM 960 O GLU A 61 71.227 -13.269 -0.358 1.00 20.44 O ATOM 961 CB GLU A 61 68.527 -14.841 0.451 1.00 17.56 C ATOM 962 CG GLU A 61 68.029 -15.613 1.656 1.00 21.67 C ATOM 963 CD GLU A 61 67.536 -17.002 1.322 1.00 24.97 C ATOM 964 OE1 GLU A 61 67.246 -17.267 0.142 1.00 33.78 O ATOM 965 OE2 GLU A 61 67.422 -17.833 2.247 1.00 33.26 O ATOM 966 HA GLU A 61 69.849 -13.684 1.681 1.00 0.00 H ATOM 967 HB2 GLU A 61 67.683 -14.638 -0.209 1.00 0.00 H ATOM 968 HB3 GLU A 61 69.261 -15.450 -0.077 1.00 0.00 H ATOM 969 HG2 GLU A 61 68.846 -15.700 2.372 1.00 0.00 H ATOM 970 HG3 GLU A 61 67.209 -15.055 2.108 1.00 0.00 H ATOM 971 H GLU A 61 67.248 -12.521 0.811 1.00 0.00 H ATOM 972 N GLY A 62 69.427 -12.153 -1.136 1.00 16.09 N ATOM 973 CA GLY A 62 70.129 -11.581 -2.270 1.00 16.76 C ATOM 974 C GLY A 62 71.038 -10.435 -1.877 1.00 16.41 C ATOM 975 O GLY A 62 72.195 -10.381 -2.294 1.00 13.68 O ATOM 976 HA3 GLY A 62 69.394 -11.214 -2.986 1.00 0.00 H ATOM 977 HA2 GLY A 62 70.732 -12.360 -2.737 1.00 0.00 H ATOM 978 H GLY A 62 68.426 -11.913 -0.985 1.00 0.00 H ATOM 979 N VAL A 63 70.521 -9.519 -1.064 1.00 16.85 N ATOM 980 CA VAL A 63 71.305 -8.376 -0.628 1.00 16.62 C ATOM 981 C VAL A 63 72.464 -8.800 0.281 1.00 16.57 C ATOM 982 O VAL A 63 73.447 -8.074 0.421 1.00 15.57 O ATOM 983 CB VAL A 63 70.435 -7.327 0.062 1.00 15.33 C ATOM 984 CG1 VAL A 63 71.290 -6.244 0.691 1.00 5.22 C ATOM 985 CG2 VAL A 63 69.478 -6.721 -0.961 1.00 12.36 C ATOM 986 HA VAL A 63 71.730 -7.923 -1.524 1.00 0.00 H ATOM 987 HB VAL A 63 69.865 -7.805 0.858 1.00 0.00 H ATOM 988 HG11 VAL A 63 71.954 -6.691 1.431 1.00 0.00 H ATOM 989 HG12 VAL A 63 71.882 -5.755 -0.083 1.00 0.00 H ATOM 990 HG13 VAL A 63 70.646 -5.510 1.175 1.00 0.00 H ATOM 991 HG21 VAL A 63 70.052 -6.254 -1.761 1.00 0.00 H ATOM 992 HG22 VAL A 63 68.847 -7.507 -1.376 1.00 0.00 H ATOM 993 HG23 VAL A 63 68.854 -5.971 -0.474 1.00 0.00 H ATOM 994 H VAL A 63 69.540 -9.622 -0.735 1.00 0.00 H ATOM 995 N ALA A 64 72.370 -9.987 0.860 1.00 13.58 N ATOM 996 CA ALA A 64 73.429 -10.459 1.733 1.00 13.75 C ATOM 997 C ALA A 64 74.654 -10.946 0.945 1.00 14.75 C ATOM 998 O ALA A 64 75.680 -11.253 1.549 1.00 14.59 O ATOM 999 CB ALA A 64 72.913 -11.581 2.632 1.00 11.55 C ATOM 1000 HA ALA A 64 73.743 -9.614 2.345 1.00 0.00 H ATOM 1001 HB1 ALA A 64 72.089 -11.208 3.240 1.00 0.00 H ATOM 1002 HB2 ALA A 64 72.564 -12.409 2.014 1.00 0.00 H ATOM 1003 HB3 ALA A 64 73.719 -11.925 3.281 1.00 0.00 H ATOM 1004 H ALA A 64 71.535 -10.583 0.689 1.00 0.00 H ATOM 1005 N GLN A 65 74.515 -11.052 -0.376 1.00 9.89 N ATOM 1006 CA GLN A 65 75.573 -11.499 -1.293 1.00 11.84 C ATOM 1007 C GLN A 65 76.127 -10.334 -2.116 1.00 11.26 C ATOM 1008 O GLN A 65 76.893 -10.530 -3.063 1.00 12.78 O ATOM 1009 CB GLN A 65 75.031 -12.541 -2.269 1.00 9.95 C ATOM 1010 CG GLN A 65 74.376 -13.720 -1.621 1.00 16.28 C ATOM 1011 CD GLN A 65 73.605 -14.550 -2.622 1.00 20.00 C ATOM 1012 OE1 GLN A 65 73.840 -14.457 -3.819 1.00 24.91 O ATOM 1013 NE2 GLN A 65 72.665 -15.353 -2.131 1.00 27.63 N ATOM 1014 HA GLN A 65 76.366 -11.925 -0.678 1.00 0.00 H ATOM 1015 HB2 GLN A 65 74.298 -12.055 -2.913 1.00 0.00 H ATOM 1016 HB3 GLN A 65 75.861 -12.904 -2.875 1.00 0.00 H ATOM 1017 HG2 GLN A 65 75.144 -14.343 -1.161 1.00 0.00 H ATOM 1018 HG3 GLN A 65 73.690 -13.365 -0.852 1.00 0.00 H ATOM 1019 HE22 GLN A 65 72.503 -15.397 -1.105 1.00 0.00 H ATOM 1020 HE21 GLN A 65 72.092 -15.937 -2.773 1.00 0.00 H ATOM 1021 H GLN A 65 73.593 -10.801 -0.787 1.00 0.00 H ATOM 1022 N MET A 66 75.685 -9.128 -1.787 1.00 12.84 N ATOM 1023 CA MET A 66 76.115 -7.922 -2.462 1.00 10.48 C ATOM 1024 C MET A 66 77.080 -7.220 -1.526 1.00 10.28 C ATOM 1025 O MET A 66 77.086 -7.487 -0.314 1.00 9.46 O ATOM 1026 CB MET A 66 74.921 -7.000 -2.718 1.00 12.78 C ATOM 1027 CG MET A 66 73.961 -7.467 -3.819 1.00 13.42 C ATOM 1028 SD MET A 66 72.502 -6.369 -4.009 1.00 24.83 S ATOM 1029 CE MET A 66 73.192 -4.841 -4.700 1.00 7.52 C ATOM 1030 HA MET A 66 76.576 -8.165 -3.419 1.00 0.00 H ATOM 1031 HB2 MET A 66 74.355 -6.915 -1.790 1.00 0.00 H ATOM 1032 HB3 MET A 66 75.306 -6.020 -2.999 1.00 0.00 H ATOM 1033 HG2 MET A 66 73.612 -8.470 -3.574 1.00 0.00 H ATOM 1034 HG3 MET A 66 74.502 -7.493 -4.765 1.00 0.00 H ATOM 1035 HE1 MET A 66 73.928 -4.431 -4.009 1.00 0.00 H ATOM 1036 HE2 MET A 66 73.670 -5.059 -5.655 1.00 0.00 H ATOM 1037 HE3 MET A 66 72.391 -4.117 -4.850 1.00 0.00 H ATOM 1038 H MET A 66 74.999 -9.045 -1.010 1.00 0.00 H ATOM 1039 N SER A 67 77.944 -6.377 -2.085 1.00 10.86 N ATOM 1040 CA SER A 67 78.877 -5.615 -1.249 1.00 10.33 C ATOM 1041 C SER A 67 78.555 -4.137 -1.415 1.00 8.56 C ATOM 1042 O SER A 67 77.910 -3.736 -2.387 1.00 10.03 O ATOM 1043 CB SER A 67 80.348 -5.901 -1.622 1.00 16.91 C ATOM 1044 OG SER A 67 80.597 -5.704 -3.014 1.00 11.80 O ATOM 1045 HA SER A 67 78.759 -5.916 -0.208 1.00 0.00 H ATOM 1046 HB2 SER A 67 80.581 -6.934 -1.366 1.00 0.00 H ATOM 1047 HB3 SER A 67 80.992 -5.232 -1.051 1.00 0.00 H ATOM 1048 HG SER A 67 80.021 -6.313 -3.541 1.00 0.00 H ATOM 1049 H SER A 67 77.958 -6.258 -3.118 1.00 0.00 H ATOM 1050 N VAL A 68 79.017 -3.325 -0.481 1.00 9.26 N ATOM 1051 CA VAL A 68 78.755 -1.897 -0.520 1.00 10.85 C ATOM 1052 C VAL A 68 79.144 -1.264 -1.836 1.00 17.69 C ATOM 1053 O VAL A 68 80.258 -1.477 -2.341 1.00 19.83 O ATOM 1054 CB VAL A 68 79.466 -1.168 0.621 1.00 13.05 C ATOM 1055 CG1 VAL A 68 79.057 0.292 0.647 1.00 14.43 C ATOM 1056 CG2 VAL A 68 79.137 -1.835 1.932 1.00 10.74 C ATOM 1057 HA VAL A 68 77.676 -1.792 -0.403 1.00 0.00 H ATOM 1058 HB VAL A 68 80.543 -1.217 0.462 1.00 0.00 H ATOM 1059 HG11 VAL A 68 79.327 0.761 -0.299 1.00 0.00 H ATOM 1060 HG12 VAL A 68 77.979 0.364 0.794 1.00 0.00 H ATOM 1061 HG13 VAL A 68 79.571 0.798 1.464 1.00 0.00 H ATOM 1062 HG21 VAL A 68 78.060 -1.800 2.096 1.00 0.00 H ATOM 1063 HG22 VAL A 68 79.468 -2.873 1.903 1.00 0.00 H ATOM 1064 HG23 VAL A 68 79.646 -1.312 2.742 1.00 0.00 H ATOM 1065 H VAL A 68 79.581 -3.717 0.300 1.00 0.00 H ATOM 1066 N GLY A 69 78.204 -0.517 -2.403 1.00 13.01 N ATOM 1067 CA GLY A 69 78.420 0.171 -3.656 1.00 6.96 C ATOM 1068 C GLY A 69 77.949 -0.615 -4.851 1.00 3.01 C ATOM 1069 O GLY A 69 77.791 -0.059 -5.937 1.00 10.13 O ATOM 1070 HA3 GLY A 69 79.487 0.364 -3.766 1.00 0.00 H ATOM 1071 HA2 GLY A 69 77.881 1.118 -3.629 1.00 0.00 H ATOM 1072 H GLY A 69 77.282 -0.424 -1.930 1.00 0.00 H ATOM 1073 N GLN A 70 77.708 -1.905 -4.668 1.00 7.95 N ATOM 1074 CA GLN A 70 77.268 -2.739 -5.780 1.00 8.50 C ATOM 1075 C GLN A 70 75.813 -2.489 -6.226 1.00 13.48 C ATOM 1076 O GLN A 70 74.914 -2.249 -5.408 1.00 11.86 O ATOM 1077 CB GLN A 70 77.428 -4.210 -5.408 1.00 7.83 C ATOM 1078 CG GLN A 70 77.076 -5.158 -6.525 1.00 6.91 C ATOM 1079 CD GLN A 70 77.214 -6.617 -6.124 1.00 9.48 C ATOM 1080 OE1 GLN A 70 77.680 -6.936 -5.020 1.00 18.87 O ATOM 1081 NE2 GLN A 70 76.831 -7.513 -7.020 1.00 16.11 N ATOM 1082 HA GLN A 70 77.901 -2.468 -6.625 1.00 0.00 H ATOM 1083 HB2 GLN A 70 78.466 -4.383 -5.124 1.00 0.00 H ATOM 1084 HB3 GLN A 70 76.780 -4.423 -4.558 1.00 0.00 H ATOM 1085 HG2 GLN A 70 76.044 -4.975 -6.825 1.00 0.00 H ATOM 1086 HG3 GLN A 70 77.738 -4.964 -7.369 1.00 0.00 H ATOM 1087 HE22 GLN A 70 76.445 -7.202 -7.934 1.00 0.00 H ATOM 1088 HE21 GLN A 70 76.916 -8.528 -6.810 1.00 0.00 H ATOM 1089 H GLN A 70 77.834 -2.325 -3.725 1.00 0.00 H ATOM 1090 N ARG A 71 75.598 -2.553 -7.531 1.00 12.79 N ATOM 1091 CA ARG A 71 74.285 -2.398 -8.111 1.00 16.07 C ATOM 1092 C ARG A 71 74.064 -3.721 -8.797 1.00 22.84 C ATOM 1093 O ARG A 71 74.903 -4.164 -9.595 1.00 24.57 O ATOM 1094 CB ARG A 71 74.265 -1.268 -9.130 1.00 14.57 C ATOM 1095 CG ARG A 71 72.967 -1.158 -9.914 1.00 21.07 C ATOM 1096 CD ARG A 71 72.608 0.312 -10.110 1.00 28.29 C ATOM 1097 NE ARG A 71 71.420 0.510 -10.942 1.00 33.81 N ATOM 1098 CZ ARG A 71 70.946 1.700 -11.306 1.00 35.75 C ATOM 1099 NH1 ARG A 71 71.551 2.817 -10.917 1.00 32.87 N ATOM 1100 NH2 ARG A 71 69.855 1.774 -12.059 1.00 38.24 N ATOM 1101 HA ARG A 71 73.521 -2.150 -7.374 1.00 0.00 H ATOM 1102 HB2 ARG A 71 74.426 -0.328 -8.602 1.00 0.00 H ATOM 1103 HB3 ARG A 71 75.079 -1.430 -9.837 1.00 0.00 H ATOM 1104 HG2 ARG A 71 73.089 -1.634 -10.887 1.00 0.00 H ATOM 1105 HG3 ARG A 71 72.168 -1.656 -9.365 1.00 0.00 H ATOM 1106 HD2 ARG A 71 73.451 0.814 -10.584 1.00 0.00 H ATOM 1107 HD3 ARG A 71 72.425 0.757 -9.132 1.00 0.00 H ATOM 1108 HE ARG A 71 70.912 -0.336 -11.271 1.00 0.00 H ATOM 1109 HH12 ARG A 71 71.173 3.741 -11.207 1.00 0.00 H ATOM 1110 HH11 ARG A 71 72.403 2.767 -10.323 1.00 0.00 H ATOM 1111 HH22 ARG A 71 69.482 2.702 -12.345 1.00 0.00 H ATOM 1112 HH21 ARG A 71 69.373 0.904 -12.363 1.00 0.00 H ATOM 1113 H ARG A 71 76.407 -2.722 -8.163 1.00 0.00 H ATOM 1114 N ALA A 72 72.967 -4.388 -8.462 1.00 22.40 N ATOM 1115 CA ALA A 72 72.666 -5.686 -9.044 1.00 25.24 C ATOM 1116 C ALA A 72 71.189 -5.835 -9.445 1.00 24.98 C ATOM 1117 O ALA A 72 70.343 -5.009 -9.092 1.00 26.71 O ATOM 1118 CB ALA A 72 73.062 -6.783 -8.055 1.00 21.98 C ATOM 1119 HA ALA A 72 73.244 -5.778 -9.963 1.00 0.00 H ATOM 1120 HB1 ALA A 72 74.129 -6.713 -7.845 1.00 0.00 H ATOM 1121 HB2 ALA A 72 72.500 -6.656 -7.130 1.00 0.00 H ATOM 1122 HB3 ALA A 72 72.838 -7.758 -8.487 1.00 0.00 H ATOM 1123 H ALA A 72 72.310 -3.975 -7.770 1.00 0.00 H ATOM 1124 N LYS A 73 70.912 -6.846 -10.255 1.00 22.32 N ATOM 1125 CA LYS A 73 69.559 -7.149 -10.692 1.00 19.40 C ATOM 1126 C LYS A 73 69.202 -8.449 -9.999 1.00 20.86 C ATOM 1127 O LYS A 73 69.930 -9.441 -10.122 1.00 19.70 O ATOM 1128 CB LYS A 73 69.503 -7.335 -12.210 1.00 21.56 C ATOM 1129 CG LYS A 73 68.113 -7.598 -12.745 1.00 24.58 C ATOM 1130 CD LYS A 73 68.067 -7.587 -14.264 1.00 26.36 C ATOM 1131 CE LYS A 73 68.397 -8.951 -14.851 1.00 30.78 C ATOM 1132 NZ LYS A 73 68.280 -8.944 -16.346 1.00 36.82 N ATOM 1133 HA LYS A 73 68.869 -6.342 -10.447 1.00 0.00 H ATOM 1134 HB2 LYS A 73 69.887 -6.430 -12.681 1.00 0.00 H ATOM 1135 HB3 LYS A 73 70.139 -8.179 -12.476 1.00 0.00 H ATOM 1136 HG2 LYS A 73 67.780 -8.574 -12.391 1.00 0.00 H ATOM 1137 HG3 LYS A 73 67.441 -6.827 -12.368 1.00 0.00 H ATOM 1138 HD2 LYS A 73 67.066 -7.298 -14.585 1.00 0.00 H ATOM 1139 HD3 LYS A 73 68.790 -6.860 -14.634 1.00 0.00 H ATOM 1140 HE2 LYS A 73 67.706 -9.690 -14.444 1.00 0.00 H ATOM 1141 HE3 LYS A 73 69.417 -9.219 -14.576 1.00 0.00 H ATOM 1142 HZ1 LYS A 73 67.307 -8.694 -16.615 1.00 0.00 H ATOM 1143 HZ2 LYS A 73 68.941 -8.245 -16.741 1.00 0.00 H ATOM 1144 HZ3 LYS A 73 68.511 -9.888 -16.715 1.00 0.00 H ATOM 1145 H LYS A 73 71.692 -7.446 -10.591 1.00 0.00 H ATOM 1146 N LEU A 74 68.156 -8.423 -9.186 1.00 17.80 N ATOM 1147 CA LEU A 74 67.725 -9.629 -8.498 1.00 16.63 C ATOM 1148 C LEU A 74 66.494 -10.191 -9.210 1.00 16.94 C ATOM 1149 O LEU A 74 65.645 -9.418 -9.653 1.00 14.50 O ATOM 1150 CB LEU A 74 67.383 -9.320 -7.041 1.00 15.93 C ATOM 1151 CG LEU A 74 68.522 -8.766 -6.193 1.00 21.98 C ATOM 1152 CD1 LEU A 74 67.978 -8.303 -4.865 1.00 26.76 C ATOM 1153 CD2 LEU A 74 69.580 -9.822 -5.975 1.00 23.85 C ATOM 1154 HA LEU A 74 68.532 -10.361 -8.514 1.00 0.00 H ATOM 1155 HB2 LEU A 74 66.575 -8.588 -7.035 1.00 0.00 H ATOM 1156 HB3 LEU A 74 67.038 -10.243 -6.576 1.00 0.00 H ATOM 1157 HG LEU A 74 68.976 -7.924 -6.715 1.00 0.00 H ATOM 1158 HD21 LEU A 74 69.138 -10.676 -5.462 1.00 0.00 H ATOM 1159 HD22 LEU A 74 69.977 -10.141 -6.939 1.00 0.00 H ATOM 1160 HD23 LEU A 74 70.385 -9.408 -5.368 1.00 0.00 H ATOM 1161 HD11 LEU A 74 67.234 -7.524 -5.030 1.00 0.00 H ATOM 1162 HD12 LEU A 74 67.516 -9.145 -4.350 1.00 0.00 H ATOM 1163 HD13 LEU A 74 68.792 -7.907 -4.258 1.00 0.00 H ATOM 1164 H LEU A 74 67.639 -7.533 -9.039 1.00 0.00 H ATOM 1165 N THR A 75 66.486 -11.499 -9.447 1.00 14.29 N ATOM 1166 CA THR A 75 65.356 -12.191 -10.054 1.00 19.72 C ATOM 1167 C THR A 75 64.893 -13.117 -8.937 1.00 21.74 C ATOM 1168 O THR A 75 65.626 -14.022 -8.506 1.00 21.17 O ATOM 1169 CB THR A 75 65.760 -12.964 -11.305 1.00 18.85 C ATOM 1170 OG1 THR A 75 66.081 -12.022 -12.324 1.00 12.93 O ATOM 1171 CG2 THR A 75 64.605 -13.833 -11.800 1.00 24.31 C ATOM 1172 HA THR A 75 64.577 -11.513 -10.403 1.00 0.00 H ATOM 1173 HB THR A 75 66.610 -13.605 -11.071 1.00 0.00 H ATOM 1174 HG1 THR A 75 66.830 -11.450 -12.019 1.00 0.00 H ATOM 1175 HG23 THR A 75 64.345 -14.561 -11.032 1.00 0.00 H ATOM 1176 HG21 THR A 75 63.742 -13.202 -12.011 1.00 0.00 H ATOM 1177 HG22 THR A 75 64.907 -14.354 -12.709 1.00 0.00 H ATOM 1178 H THR A 75 67.326 -12.055 -9.187 1.00 0.00 H ATOM 1179 N ILE A 76 63.693 -12.841 -8.432 1.00 18.47 N ATOM 1180 CA ILE A 76 63.149 -13.556 -7.282 1.00 18.77 C ATOM 1181 C ILE A 76 61.861 -14.345 -7.579 1.00 20.93 C ATOM 1182 O ILE A 76 60.900 -13.812 -8.141 1.00 24.36 O ATOM 1183 CB ILE A 76 62.979 -12.521 -6.108 1.00 14.34 C ATOM 1184 CG1 ILE A 76 64.165 -11.537 -6.115 1.00 7.68 C ATOM 1185 CG2 ILE A 76 63.059 -13.196 -4.773 1.00 19.35 C ATOM 1186 CD1 ILE A 76 64.100 -10.482 -5.071 1.00 2.00 C ATOM 1187 HA ILE A 76 63.852 -14.337 -6.993 1.00 0.00 H ATOM 1188 HB ILE A 76 62.015 -12.035 -6.254 1.00 0.00 H ATOM 1189 HG12 ILE A 76 65.081 -12.108 -5.965 1.00 0.00 H ATOM 1190 HG13 ILE A 76 64.197 -11.050 -7.090 1.00 0.00 H ATOM 1191 HD11 ILE A 76 63.196 -9.889 -5.211 1.00 0.00 H ATOM 1192 HD12 ILE A 76 64.081 -10.948 -4.086 1.00 0.00 H ATOM 1193 HD13 ILE A 76 64.975 -9.837 -5.153 1.00 0.00 H ATOM 1194 HG21 ILE A 76 62.268 -13.942 -4.696 1.00 0.00 H ATOM 1195 HG22 ILE A 76 64.029 -13.682 -4.671 1.00 0.00 H ATOM 1196 HG23 ILE A 76 62.938 -12.454 -3.984 1.00 0.00 H ATOM 1197 H ILE A 76 63.124 -12.090 -8.872 1.00 0.00 H ATOM 1198 N SER A 77 61.892 -15.630 -7.243 1.00 19.71 N ATOM 1199 CA SER A 77 60.773 -16.539 -7.454 1.00 20.82 C ATOM 1200 C SER A 77 59.632 -16.311 -6.442 1.00 20.62 C ATOM 1201 O SER A 77 59.880 -16.002 -5.275 1.00 18.17 O ATOM 1202 CB SER A 77 61.249 -17.998 -7.404 1.00 16.31 C ATOM 1203 OG SER A 77 61.672 -18.393 -6.100 1.00 22.04 O ATOM 1204 HA SER A 77 60.371 -16.327 -8.445 1.00 0.00 H ATOM 1205 HB2 SER A 77 62.085 -18.117 -8.093 1.00 0.00 H ATOM 1206 HB3 SER A 77 60.428 -18.644 -7.716 1.00 0.00 H ATOM 1207 HG SER A 77 60.917 -18.297 -5.466 1.00 0.00 H ATOM 1208 H SER A 77 62.758 -16.006 -6.808 1.00 0.00 H ATOM 1209 N PRO A 78 58.376 -16.614 -6.840 1.00 22.79 N ATOM 1210 CA PRO A 78 57.204 -16.430 -5.977 1.00 18.88 C ATOM 1211 C PRO A 78 57.390 -16.812 -4.529 1.00 11.84 C ATOM 1212 O PRO A 78 57.033 -16.051 -3.626 1.00 15.19 O ATOM 1213 CB PRO A 78 56.162 -17.303 -6.651 1.00 22.30 C ATOM 1214 CG PRO A 78 56.497 -17.174 -8.069 1.00 24.94 C ATOM 1215 CD PRO A 78 57.996 -17.325 -8.078 1.00 25.57 C ATOM 1216 HA PRO A 78 56.944 -15.375 -5.896 1.00 0.00 H ATOM 1217 HD3 PRO A 78 58.290 -18.374 -8.041 1.00 0.00 H ATOM 1218 HD2 PRO A 78 58.438 -16.856 -8.957 1.00 0.00 H ATOM 1219 HG3 PRO A 78 56.199 -16.199 -8.455 1.00 0.00 H ATOM 1220 HG2 PRO A 78 56.020 -17.958 -8.657 1.00 0.00 H ATOM 1221 HB2 PRO A 78 56.244 -18.339 -6.321 1.00 0.00 H ATOM 1222 HB3 PRO A 78 55.155 -16.938 -6.451 1.00 0.00 H ATOM 1223 N ASP A 79 57.932 -17.999 -4.290 1.00 10.89 N ATOM 1224 CA ASP A 79 58.145 -18.469 -2.923 1.00 12.93 C ATOM 1225 C ASP A 79 59.036 -17.584 -2.039 1.00 14.76 C ATOM 1226 O ASP A 79 58.951 -17.630 -0.796 1.00 12.82 O ATOM 1227 CB ASP A 79 58.604 -19.935 -2.898 1.00 18.37 C ATOM 1228 CG ASP A 79 59.689 -20.257 -3.931 1.00 23.38 C ATOM 1229 OD1 ASP A 79 59.579 -19.835 -5.105 1.00 21.87 O ATOM 1230 OD2 ASP A 79 60.628 -20.993 -3.561 1.00 31.74 O ATOM 1231 HA ASP A 79 57.160 -18.393 -2.461 1.00 0.00 H ATOM 1232 HB2 ASP A 79 58.996 -20.156 -1.905 1.00 0.00 H ATOM 1233 HB3 ASP A 79 57.740 -20.570 -3.096 1.00 0.00 H ATOM 1234 H ASP A 79 58.210 -18.605 -5.088 1.00 0.00 H ATOM 1235 N TYR A 80 59.854 -16.749 -2.685 1.00 16.08 N ATOM 1236 CA TYR A 80 60.736 -15.810 -1.991 1.00 19.20 C ATOM 1237 C TYR A 80 60.224 -14.376 -2.023 1.00 18.18 C ATOM 1238 O TYR A 80 60.941 -13.461 -1.609 1.00 16.78 O ATOM 1239 CB TYR A 80 62.151 -15.812 -2.594 1.00 26.31 C ATOM 1240 CG TYR A 80 62.974 -17.041 -2.319 1.00 32.00 C ATOM 1241 CD1 TYR A 80 62.422 -18.307 -2.466 1.00 38.36 C ATOM 1242 CD2 TYR A 80 64.317 -16.938 -1.945 1.00 39.63 C ATOM 1243 CE1 TYR A 80 63.171 -19.451 -2.251 1.00 47.24 C ATOM 1244 CE2 TYR A 80 65.086 -18.077 -1.729 1.00 43.96 C ATOM 1245 CZ TYR A 80 64.502 -19.334 -1.886 1.00 52.14 C ATOM 1246 OH TYR A 80 65.248 -20.477 -1.722 1.00 55.13 O ATOM 1247 HA TYR A 80 60.758 -16.158 -0.958 1.00 0.00 H ATOM 1248 HB3 TYR A 80 62.688 -14.952 -2.193 1.00 0.00 H ATOM 1249 HB2 TYR A 80 62.055 -15.707 -3.675 1.00 0.00 H ATOM 1250 HD2 TYR A 80 64.767 -15.953 -1.821 1.00 0.00 H ATOM 1251 HE2 TYR A 80 66.133 -17.988 -1.440 1.00 0.00 H ATOM 1252 HE1 TYR A 80 62.717 -20.435 -2.368 1.00 0.00 H ATOM 1253 HD1 TYR A 80 61.376 -18.402 -2.757 1.00 0.00 H ATOM 1254 HH TYR A 80 64.673 -21.269 -1.871 1.00 0.00 H ATOM 1255 H TYR A 80 59.865 -16.767 -3.725 1.00 0.00 H ATOM 1256 N ALA A 81 59.060 -14.165 -2.636 1.00 17.35 N ATOM 1257 CA ALA A 81 58.469 -12.831 -2.707 1.00 10.87 C ATOM 1258 C ALA A 81 57.066 -12.846 -2.034 1.00 10.10 C ATOM 1259 O ALA A 81 56.958 -13.043 -0.810 1.00 9.96 O ATOM 1260 CB ALA A 81 58.389 -12.381 -4.157 1.00 4.12 C ATOM 1261 HA ALA A 81 59.094 -12.118 -2.169 1.00 0.00 H ATOM 1262 HB1 ALA A 81 59.392 -12.355 -4.584 1.00 0.00 H ATOM 1263 HB2 ALA A 81 57.771 -13.081 -4.720 1.00 0.00 H ATOM 1264 HB3 ALA A 81 57.947 -11.386 -4.203 1.00 0.00 H ATOM 1265 H ALA A 81 58.562 -14.967 -3.073 1.00 0.00 H ATOM 1266 N TYR A 82 56.005 -12.764 -2.837 1.00 15.79 N ATOM 1267 CA TYR A 82 54.647 -12.720 -2.280 1.00 17.14 C ATOM 1268 C TYR A 82 53.736 -13.960 -2.399 1.00 18.80 C ATOM 1269 O TYR A 82 52.532 -13.859 -2.170 1.00 16.28 O ATOM 1270 CB TYR A 82 53.960 -11.429 -2.741 1.00 12.41 C ATOM 1271 CG TYR A 82 54.747 -10.170 -2.351 1.00 8.34 C ATOM 1272 CD1 TYR A 82 55.553 -9.505 -3.286 1.00 5.71 C ATOM 1273 CD2 TYR A 82 54.709 -9.673 -1.038 1.00 8.07 C ATOM 1274 CE1 TYR A 82 56.311 -8.364 -2.929 1.00 5.23 C ATOM 1275 CE2 TYR A 82 55.467 -8.539 -0.667 1.00 12.93 C ATOM 1276 CZ TYR A 82 56.261 -7.894 -1.631 1.00 8.66 C ATOM 1277 OH TYR A 82 56.956 -6.760 -1.304 1.00 11.74 O ATOM 1278 HA TYR A 82 54.809 -12.732 -1.202 1.00 0.00 H ATOM 1279 HB3 TYR A 82 52.971 -11.378 -2.286 1.00 0.00 H ATOM 1280 HB2 TYR A 82 53.858 -11.455 -3.826 1.00 0.00 H ATOM 1281 HD2 TYR A 82 54.086 -10.169 -0.294 1.00 0.00 H ATOM 1282 HE2 TYR A 82 55.436 -8.168 0.357 1.00 0.00 H ATOM 1283 HE1 TYR A 82 56.929 -7.860 -3.672 1.00 0.00 H ATOM 1284 HD1 TYR A 82 55.597 -9.875 -4.310 1.00 0.00 H ATOM 1285 HH TYR A 82 57.589 -6.962 -0.570 1.00 0.00 H ATOM 1286 H TYR A 82 56.140 -12.731 -3.868 1.00 0.00 H ATOM 1287 N GLY A 83 54.314 -15.114 -2.717 1.00 18.60 N ATOM 1288 CA GLY A 83 53.548 -16.343 -2.778 1.00 18.25 C ATOM 1289 C GLY A 83 52.450 -16.557 -3.813 1.00 18.40 C ATOM 1290 O GLY A 83 52.475 -16.023 -4.936 1.00 15.20 O ATOM 1291 HA3 GLY A 83 53.075 -16.458 -1.803 1.00 0.00 H ATOM 1292 HA2 GLY A 83 54.270 -17.146 -2.927 1.00 0.00 H ATOM 1293 H GLY A 83 55.333 -15.135 -2.925 1.00 0.00 H ATOM 1294 N ALA A 84 51.496 -17.395 -3.427 1.00 20.52 N ATOM 1295 CA ALA A 84 50.373 -17.755 -4.268 1.00 20.08 C ATOM 1296 C ALA A 84 49.342 -16.630 -4.235 1.00 17.89 C ATOM 1297 O ALA A 84 48.729 -16.309 -5.246 1.00 18.11 O ATOM 1298 CB ALA A 84 49.773 -19.061 -3.776 1.00 22.47 C ATOM 1299 HA ALA A 84 50.701 -17.895 -5.298 1.00 0.00 H ATOM 1300 HB1 ALA A 84 50.528 -19.846 -3.820 1.00 0.00 H ATOM 1301 HB2 ALA A 84 49.434 -18.939 -2.747 1.00 0.00 H ATOM 1302 HB3 ALA A 84 48.928 -19.332 -4.409 1.00 0.00 H ATOM 1303 H ALA A 84 51.558 -17.813 -2.477 1.00 0.00 H ATOM 1304 N THR A 85 49.200 -16.000 -3.079 1.00 17.27 N ATOM 1305 CA THR A 85 48.256 -14.899 -2.903 1.00 14.34 C ATOM 1306 C THR A 85 48.711 -13.552 -3.486 1.00 19.19 C ATOM 1307 O THR A 85 47.890 -12.662 -3.740 1.00 20.29 O ATOM 1308 CB THR A 85 47.957 -14.695 -1.422 1.00 16.36 C ATOM 1309 OG1 THR A 85 49.170 -14.397 -0.713 1.00 14.67 O ATOM 1310 CG2 THR A 85 47.320 -15.963 -0.835 1.00 15.13 C ATOM 1311 HA THR A 85 47.371 -15.203 -3.462 1.00 0.00 H ATOM 1312 HB THR A 85 47.263 -13.861 -1.316 1.00 0.00 H ATOM 1313 HG1 THR A 85 49.572 -13.571 -1.082 1.00 0.00 H ATOM 1314 HG23 THR A 85 46.400 -16.188 -1.374 1.00 0.00 H ATOM 1315 HG21 THR A 85 48.015 -16.797 -0.935 1.00 0.00 H ATOM 1316 HG22 THR A 85 47.095 -15.801 0.219 1.00 0.00 H ATOM 1317 H THR A 85 49.780 -16.299 -2.269 1.00 0.00 H ATOM 1318 N GLY A 86 50.022 -13.387 -3.691 1.00 16.48 N ATOM 1319 CA GLY A 86 50.533 -12.119 -4.185 1.00 11.26 C ATOM 1320 C GLY A 86 50.056 -11.025 -3.249 1.00 6.65 C ATOM 1321 O GLY A 86 50.052 -11.197 -2.020 1.00 8.06 O ATOM 1322 HA3 GLY A 86 50.157 -11.935 -5.191 1.00 0.00 H ATOM 1323 HA2 GLY A 86 51.623 -12.141 -4.204 1.00 0.00 H ATOM 1324 H GLY A 86 50.679 -14.169 -3.496 1.00 0.00 H ATOM 1325 N HIS A 87 49.811 -9.853 -3.810 1.00 12.47 N ATOM 1326 CA HIS A 87 49.236 -8.723 -3.070 1.00 12.64 C ATOM 1327 C HIS A 87 48.256 -8.102 -4.066 1.00 14.24 C ATOM 1328 O HIS A 87 48.607 -7.165 -4.786 1.00 9.44 O ATOM 1329 CB HIS A 87 50.261 -7.684 -2.661 1.00 9.64 C ATOM 1330 CG HIS A 87 49.680 -6.579 -1.843 1.00 9.36 C ATOM 1331 ND1 HIS A 87 49.952 -6.411 -0.510 1.00 11.25 N ATOM 1332 CD2 HIS A 87 48.802 -5.588 -2.169 1.00 12.01 C ATOM 1333 CE1 HIS A 87 49.285 -5.367 -0.038 1.00 10.67 C ATOM 1334 NE2 HIS A 87 48.581 -4.860 -1.036 1.00 13.31 N ATOM 1335 HA HIS A 87 48.786 -9.062 -2.137 1.00 0.00 H ATOM 1336 HB2 HIS A 87 51.040 -8.175 -2.078 1.00 0.00 H ATOM 1337 HB3 HIS A 87 50.700 -7.255 -3.562 1.00 0.00 H ATOM 1338 HD2 HIS A 87 48.360 -5.411 -3.149 1.00 0.00 H ATOM 1339 HE1 HIS A 87 49.312 -4.994 0.986 1.00 0.00 H ATOM 1340 H HIS A 87 50.035 -9.726 -4.818 1.00 0.00 H ATOM 1341 N PRO A 88 47.024 -8.642 -4.145 1.00 15.60 N ATOM 1342 CA PRO A 88 45.955 -8.178 -5.061 1.00 14.82 C ATOM 1343 C PRO A 88 45.904 -6.653 -5.246 1.00 8.85 C ATOM 1344 O PRO A 88 45.964 -5.889 -4.282 1.00 12.86 O ATOM 1345 CB PRO A 88 44.687 -8.739 -4.408 1.00 16.18 C ATOM 1346 CG PRO A 88 45.164 -10.059 -3.849 1.00 18.42 C ATOM 1347 CD PRO A 88 46.505 -9.654 -3.196 1.00 18.43 C ATOM 1348 HA PRO A 88 46.109 -8.524 -6.083 1.00 0.00 H ATOM 1349 HD3 PRO A 88 46.349 -9.225 -2.206 1.00 0.00 H ATOM 1350 HD2 PRO A 88 47.180 -10.506 -3.119 1.00 0.00 H ATOM 1351 HG3 PRO A 88 45.312 -10.795 -4.639 1.00 0.00 H ATOM 1352 HG2 PRO A 88 44.466 -10.455 -3.112 1.00 0.00 H ATOM 1353 HB2 PRO A 88 44.328 -8.082 -3.616 1.00 0.00 H ATOM 1354 HB3 PRO A 88 43.896 -8.885 -5.144 1.00 0.00 H ATOM 1355 N GLY A 89 45.858 -6.223 -6.498 1.00 4.01 N ATOM 1356 CA GLY A 89 45.846 -4.804 -6.785 1.00 11.73 C ATOM 1357 C GLY A 89 47.221 -4.302 -7.172 1.00 16.47 C ATOM 1358 O GLY A 89 47.350 -3.333 -7.918 1.00 19.69 O ATOM 1359 HA3 GLY A 89 45.509 -4.266 -5.899 1.00 0.00 H ATOM 1360 HA2 GLY A 89 45.156 -4.615 -7.607 1.00 0.00 H ATOM 1361 H GLY A 89 45.830 -6.909 -7.279 1.00 0.00 H ATOM 1362 N ILE A 90 48.261 -4.959 -6.666 1.00 25.21 N ATOM 1363 CA ILE A 90 49.640 -4.566 -6.977 1.00 24.66 C ATOM 1364 C ILE A 90 50.474 -5.715 -7.562 1.00 21.29 C ATOM 1365 O ILE A 90 50.997 -5.611 -8.676 1.00 19.02 O ATOM 1366 CB ILE A 90 50.362 -4.018 -5.725 1.00 26.56 C ATOM 1367 CG1 ILE A 90 49.461 -3.029 -4.972 1.00 27.37 C ATOM 1368 CG2 ILE A 90 51.615 -3.282 -6.139 1.00 35.59 C ATOM 1369 CD1 ILE A 90 50.049 -2.545 -3.658 1.00 25.67 C ATOM 1370 HA ILE A 90 49.557 -3.785 -7.733 1.00 0.00 H ATOM 1371 HB ILE A 90 50.606 -4.862 -5.080 1.00 0.00 H ATOM 1372 HG12 ILE A 90 49.290 -2.164 -5.612 1.00 0.00 H ATOM 1373 HG13 ILE A 90 48.510 -3.519 -4.764 1.00 0.00 H ATOM 1374 HD11 ILE A 90 50.216 -3.398 -3.000 1.00 0.00 H ATOM 1375 HD12 ILE A 90 50.996 -2.041 -3.849 1.00 0.00 H ATOM 1376 HD13 ILE A 90 49.355 -1.850 -3.185 1.00 0.00 H ATOM 1377 HG21 ILE A 90 52.278 -3.966 -6.668 1.00 0.00 H ATOM 1378 HG22 ILE A 90 51.348 -2.453 -6.794 1.00 0.00 H ATOM 1379 HG23 ILE A 90 52.119 -2.898 -5.252 1.00 0.00 H ATOM 1380 H ILE A 90 48.093 -5.769 -6.036 1.00 0.00 H ATOM 1381 N ILE A 91 50.529 -6.828 -6.843 1.00 18.13 N ATOM 1382 CA ILE A 91 51.310 -7.967 -7.290 1.00 16.97 C ATOM 1383 C ILE A 91 50.472 -9.221 -7.540 1.00 15.04 C ATOM 1384 O ILE A 91 49.867 -9.781 -6.637 1.00 13.88 O ATOM 1385 CB ILE A 91 52.471 -8.278 -6.272 1.00 24.46 C ATOM 1386 CG1 ILE A 91 53.437 -7.081 -6.201 1.00 20.63 C ATOM 1387 CG2 ILE A 91 53.250 -9.555 -6.660 1.00 18.06 C ATOM 1388 CD1 ILE A 91 53.713 -6.610 -4.783 1.00 25.22 C ATOM 1389 HA ILE A 91 51.735 -7.683 -8.253 1.00 0.00 H ATOM 1390 HB ILE A 91 52.018 -8.448 -5.295 1.00 0.00 H ATOM 1391 HG12 ILE A 91 54.382 -7.372 -6.659 1.00 0.00 H ATOM 1392 HG13 ILE A 91 53.003 -6.253 -6.762 1.00 0.00 H ATOM 1393 HD11 ILE A 91 52.778 -6.304 -4.315 1.00 0.00 H ATOM 1394 HD12 ILE A 91 54.158 -7.424 -4.211 1.00 0.00 H ATOM 1395 HD13 ILE A 91 54.401 -5.765 -4.810 1.00 0.00 H ATOM 1396 HG21 ILE A 91 52.568 -10.405 -6.672 1.00 0.00 H ATOM 1397 HG22 ILE A 91 53.688 -9.425 -7.650 1.00 0.00 H ATOM 1398 HG23 ILE A 91 54.041 -9.732 -5.931 1.00 0.00 H ATOM 1399 H ILE A 91 50.005 -6.886 -5.946 1.00 0.00 H ATOM 1400 N PRO A 92 50.465 -9.682 -8.785 1.00 14.37 N ATOM 1401 CA PRO A 92 49.747 -10.866 -9.249 1.00 17.96 C ATOM 1402 C PRO A 92 50.205 -12.115 -8.509 1.00 21.68 C ATOM 1403 O PRO A 92 51.299 -12.140 -7.950 1.00 23.67 O ATOM 1404 CB PRO A 92 50.170 -10.948 -10.721 1.00 17.39 C ATOM 1405 CG PRO A 92 50.427 -9.520 -11.073 1.00 10.41 C ATOM 1406 CD PRO A 92 51.162 -9.018 -9.890 1.00 13.01 C ATOM 1407 HA PRO A 92 48.670 -10.802 -9.092 1.00 0.00 H ATOM 1408 HD3 PRO A 92 52.212 -9.307 -9.925 1.00 0.00 H ATOM 1409 HD2 PRO A 92 51.088 -7.934 -9.809 1.00 0.00 H ATOM 1410 HG3 PRO A 92 49.493 -8.976 -11.215 1.00 0.00 H ATOM 1411 HG2 PRO A 92 51.033 -9.441 -11.975 1.00 0.00 H ATOM 1412 HB2 PRO A 92 51.071 -11.550 -10.838 1.00 0.00 H ATOM 1413 HB3 PRO A 92 49.373 -11.367 -11.336 1.00 0.00 H ATOM 1414 N PRO A 93 49.352 -13.142 -8.457 1.00 22.77 N ATOM 1415 CA PRO A 93 49.693 -14.400 -7.786 1.00 22.37 C ATOM 1416 C PRO A 93 50.806 -15.092 -8.593 1.00 20.65 C ATOM 1417 O PRO A 93 50.921 -14.897 -9.802 1.00 16.10 O ATOM 1418 CB PRO A 93 48.372 -15.176 -7.867 1.00 24.65 C ATOM 1419 CG PRO A 93 47.343 -14.090 -7.853 1.00 22.30 C ATOM 1420 CD PRO A 93 47.927 -13.113 -8.831 1.00 24.88 C ATOM 1421 HA PRO A 93 50.059 -14.304 -6.764 1.00 0.00 H ATOM 1422 HD3 PRO A 93 47.778 -13.441 -9.860 1.00 0.00 H ATOM 1423 HD2 PRO A 93 47.501 -12.118 -8.703 1.00 0.00 H ATOM 1424 HG3 PRO A 93 47.242 -13.649 -6.861 1.00 0.00 H ATOM 1425 HG2 PRO A 93 46.372 -14.456 -8.187 1.00 0.00 H ATOM 1426 HB2 PRO A 93 48.315 -15.758 -8.787 1.00 0.00 H ATOM 1427 HB3 PRO A 93 48.254 -15.839 -7.010 1.00 0.00 H ATOM 1428 N HIS A 94 51.653 -15.852 -7.908 1.00 19.36 N ATOM 1429 CA HIS A 94 52.743 -16.583 -8.551 1.00 20.62 C ATOM 1430 C HIS A 94 53.635 -15.704 -9.428 1.00 19.39 C ATOM 1431 O HIS A 94 54.088 -16.127 -10.498 1.00 22.48 O ATOM 1432 CB HIS A 94 52.163 -17.729 -9.383 1.00 21.74 C ATOM 1433 CG HIS A 94 51.315 -18.664 -8.593 1.00 24.86 C ATOM 1434 ND1 HIS A 94 51.828 -19.537 -7.661 1.00 25.10 N ATOM 1435 CD2 HIS A 94 49.967 -18.837 -8.564 1.00 25.07 C ATOM 1436 CE1 HIS A 94 50.853 -20.204 -7.091 1.00 26.01 C ATOM 1437 NE2 HIS A 94 49.705 -19.800 -7.621 1.00 26.76 N ATOM 1438 HA HIS A 94 53.380 -16.967 -7.754 1.00 0.00 H ATOM 1439 HB2 HIS A 94 51.556 -17.303 -10.182 1.00 0.00 H ATOM 1440 HB3 HIS A 94 52.988 -18.294 -9.817 1.00 0.00 H ATOM 1441 HD2 HIS A 94 49.233 -18.311 -9.174 1.00 0.00 H ATOM 1442 HE1 HIS A 94 50.966 -20.961 -6.315 1.00 0.00 H ATOM 1443 H HIS A 94 51.536 -15.930 -6.877 1.00 0.00 H ATOM 1444 N ALA A 95 53.918 -14.490 -8.960 1.00 18.18 N ATOM 1445 CA ALA A 95 54.740 -13.560 -9.709 1.00 14.45 C ATOM 1446 C ALA A 95 56.222 -13.629 -9.354 1.00 12.04 C ATOM 1447 O ALA A 95 56.587 -13.747 -8.194 1.00 12.86 O ATOM 1448 CB ALA A 95 54.224 -12.138 -9.526 1.00 9.77 C ATOM 1449 HA ALA A 95 54.661 -13.856 -10.755 1.00 0.00 H ATOM 1450 HB1 ALA A 95 53.197 -12.077 -9.885 1.00 0.00 H ATOM 1451 HB2 ALA A 95 54.257 -11.874 -8.469 1.00 0.00 H ATOM 1452 HB3 ALA A 95 54.850 -11.450 -10.094 1.00 0.00 H ATOM 1453 H ALA A 95 53.540 -14.202 -8.035 1.00 0.00 H ATOM 1454 N THR A 96 57.045 -13.648 -10.397 1.00 14.95 N ATOM 1455 CA THR A 96 58.499 -13.661 -10.299 1.00 15.53 C ATOM 1456 C THR A 96 58.842 -12.184 -10.398 1.00 13.56 C ATOM 1457 O THR A 96 58.506 -11.548 -11.396 1.00 17.43 O ATOM 1458 CB THR A 96 59.075 -14.391 -11.527 1.00 16.90 C ATOM 1459 OG1 THR A 96 58.816 -15.787 -11.395 1.00 15.93 O ATOM 1460 CG2 THR A 96 60.590 -14.133 -11.702 1.00 19.04 C ATOM 1461 HA THR A 96 58.883 -14.150 -9.403 1.00 0.00 H ATOM 1462 HB THR A 96 58.587 -14.002 -12.421 1.00 0.00 H ATOM 1463 HG1 THR A 96 59.183 -16.265 -12.180 1.00 0.00 H ATOM 1464 HG23 THR A 96 60.766 -13.062 -11.801 1.00 0.00 H ATOM 1465 HG21 THR A 96 61.125 -14.511 -10.831 1.00 0.00 H ATOM 1466 HG22 THR A 96 60.943 -14.645 -12.597 1.00 0.00 H ATOM 1467 H THR A 96 56.623 -13.654 -11.348 1.00 0.00 H ATOM 1468 N LEU A 97 59.465 -11.617 -9.372 1.00 12.66 N ATOM 1469 CA LEU A 97 59.810 -10.189 -9.427 1.00 15.58 C ATOM 1470 C LEU A 97 61.284 -9.922 -9.774 1.00 19.51 C ATOM 1471 O LEU A 97 62.166 -10.717 -9.440 1.00 18.35 O ATOM 1472 CB LEU A 97 59.489 -9.521 -8.096 1.00 14.46 C ATOM 1473 CG LEU A 97 58.083 -9.832 -7.590 1.00 17.69 C ATOM 1474 CD1 LEU A 97 57.901 -9.228 -6.195 1.00 12.31 C ATOM 1475 CD2 LEU A 97 57.064 -9.308 -8.626 1.00 13.54 C ATOM 1476 HA LEU A 97 59.208 -9.767 -10.232 1.00 0.00 H ATOM 1477 HB2 LEU A 97 60.209 -9.865 -7.353 1.00 0.00 H ATOM 1478 HB3 LEU A 97 59.583 -8.442 -8.218 1.00 0.00 H ATOM 1479 HG LEU A 97 57.920 -10.905 -7.486 1.00 0.00 H ATOM 1480 HD21 LEU A 97 57.189 -8.232 -8.744 1.00 0.00 H ATOM 1481 HD22 LEU A 97 57.234 -9.802 -9.583 1.00 0.00 H ATOM 1482 HD23 LEU A 97 56.053 -9.522 -8.280 1.00 0.00 H ATOM 1483 HD11 LEU A 97 58.637 -9.658 -5.516 1.00 0.00 H ATOM 1484 HD12 LEU A 97 58.040 -8.148 -6.247 1.00 0.00 H ATOM 1485 HD13 LEU A 97 56.897 -9.450 -5.833 1.00 0.00 H ATOM 1486 H LEU A 97 59.708 -12.181 -8.533 1.00 0.00 H ATOM 1487 N VAL A 98 61.526 -8.792 -10.431 1.00 21.13 N ATOM 1488 CA VAL A 98 62.864 -8.383 -10.818 1.00 21.26 C ATOM 1489 C VAL A 98 63.130 -7.041 -10.187 1.00 20.01 C ATOM 1490 O VAL A 98 62.388 -6.083 -10.411 1.00 16.02 O ATOM 1491 CB VAL A 98 63.016 -8.212 -12.337 1.00 23.99 C ATOM 1492 CG1 VAL A 98 64.433 -7.727 -12.663 1.00 25.38 C ATOM 1493 CG2 VAL A 98 62.740 -9.526 -13.040 1.00 28.34 C ATOM 1494 HA VAL A 98 63.559 -9.157 -10.492 1.00 0.00 H ATOM 1495 HB VAL A 98 62.296 -7.472 -12.686 1.00 0.00 H ATOM 1496 HG11 VAL A 98 64.610 -6.770 -12.172 1.00 0.00 H ATOM 1497 HG12 VAL A 98 65.157 -8.460 -12.307 1.00 0.00 H ATOM 1498 HG13 VAL A 98 64.536 -7.607 -13.742 1.00 0.00 H ATOM 1499 HG21 VAL A 98 63.448 -10.278 -12.692 1.00 0.00 H ATOM 1500 HG22 VAL A 98 61.724 -9.850 -12.816 1.00 0.00 H ATOM 1501 HG23 VAL A 98 62.851 -9.391 -14.116 1.00 0.00 H ATOM 1502 H VAL A 98 60.725 -8.176 -10.678 1.00 0.00 H ATOM 1503 N PHE A 99 64.196 -6.979 -9.398 1.00 16.98 N ATOM 1504 CA PHE A 99 64.569 -5.747 -8.718 1.00 15.41 C ATOM 1505 C PHE A 99 65.939 -5.239 -9.191 1.00 17.79 C ATOM 1506 O PHE A 99 66.852 -6.021 -9.464 1.00 20.94 O ATOM 1507 CB PHE A 99 64.600 -5.970 -7.194 1.00 12.91 C ATOM 1508 CG PHE A 99 63.234 -6.114 -6.561 1.00 16.06 C ATOM 1509 CD1 PHE A 99 62.629 -7.363 -6.449 1.00 19.91 C ATOM 1510 CD2 PHE A 99 62.560 -4.998 -6.071 1.00 16.13 C ATOM 1511 CE1 PHE A 99 61.356 -7.505 -5.847 1.00 18.83 C ATOM 1512 CE2 PHE A 99 61.294 -5.125 -5.473 1.00 15.83 C ATOM 1513 CZ PHE A 99 60.697 -6.384 -5.361 1.00 19.38 C ATOM 1514 HA PHE A 99 63.820 -4.993 -8.962 1.00 0.00 H ATOM 1515 HB2 PHE A 99 65.168 -6.878 -6.993 1.00 0.00 H ATOM 1516 HB3 PHE A 99 65.102 -5.119 -6.734 1.00 0.00 H ATOM 1517 HD2 PHE A 99 63.020 -4.013 -6.152 1.00 0.00 H ATOM 1518 HE2 PHE A 99 60.778 -4.242 -5.097 1.00 0.00 H ATOM 1519 HZ PHE A 99 59.717 -6.485 -4.894 1.00 0.00 H ATOM 1520 HE1 PHE A 99 60.895 -8.490 -5.765 1.00 0.00 H ATOM 1521 HD1 PHE A 99 63.144 -8.245 -6.831 1.00 0.00 H ATOM 1522 H PHE A 99 64.778 -7.830 -9.263 1.00 0.00 H ATOM 1523 N ASP A 100 66.033 -3.932 -9.364 1.00 18.01 N ATOM 1524 CA ASP A 100 67.275 -3.277 -9.735 1.00 17.73 C ATOM 1525 C ASP A 100 67.629 -2.598 -8.406 1.00 19.45 C ATOM 1526 O ASP A 100 67.055 -1.569 -8.038 1.00 18.76 O ATOM 1527 CB ASP A 100 66.999 -2.250 -10.829 1.00 21.86 C ATOM 1528 CG ASP A 100 68.252 -1.563 -11.324 1.00 23.14 C ATOM 1529 OD1 ASP A 100 69.144 -1.277 -10.507 1.00 23.30 O ATOM 1530 OD2 ASP A 100 68.336 -1.283 -12.533 1.00 24.76 O ATOM 1531 HA ASP A 100 68.059 -3.924 -10.129 1.00 0.00 H ATOM 1532 HB2 ASP A 100 66.525 -2.756 -11.670 1.00 0.00 H ATOM 1533 HB3 ASP A 100 66.321 -1.494 -10.433 1.00 0.00 H ATOM 1534 H ASP A 100 65.183 -3.349 -9.229 1.00 0.00 H ATOM 1535 N VAL A 101 68.524 -3.225 -7.657 1.00 16.21 N ATOM 1536 CA VAL A 101 68.948 -2.756 -6.345 1.00 15.33 C ATOM 1537 C VAL A 101 70.396 -2.269 -6.285 1.00 18.68 C ATOM 1538 O VAL A 101 71.303 -2.980 -6.721 1.00 17.12 O ATOM 1539 CB VAL A 101 68.864 -3.917 -5.352 1.00 12.81 C ATOM 1540 CG1 VAL A 101 69.351 -3.495 -3.965 1.00 11.79 C ATOM 1541 CG2 VAL A 101 67.465 -4.476 -5.328 1.00 14.79 C ATOM 1542 HA VAL A 101 68.289 -1.920 -6.112 1.00 0.00 H ATOM 1543 HB VAL A 101 69.531 -4.714 -5.681 1.00 0.00 H ATOM 1544 HG11 VAL A 101 70.388 -3.167 -4.030 1.00 0.00 H ATOM 1545 HG12 VAL A 101 68.732 -2.677 -3.597 1.00 0.00 H ATOM 1546 HG13 VAL A 101 69.279 -4.342 -3.283 1.00 0.00 H ATOM 1547 HG21 VAL A 101 66.768 -3.694 -5.026 1.00 0.00 H ATOM 1548 HG22 VAL A 101 67.201 -4.835 -6.323 1.00 0.00 H ATOM 1549 HG23 VAL A 101 67.417 -5.302 -4.618 1.00 0.00 H ATOM 1550 H VAL A 101 68.947 -4.100 -8.026 1.00 0.00 H ATOM 1551 N GLU A 102 70.606 -1.111 -5.670 1.00 16.98 N ATOM 1552 CA GLU A 102 71.942 -0.568 -5.482 1.00 19.11 C ATOM 1553 C GLU A 102 72.151 -0.423 -3.977 1.00 17.61 C ATOM 1554 O GLU A 102 71.334 0.217 -3.295 1.00 19.18 O ATOM 1555 CB GLU A 102 72.069 0.794 -6.151 1.00 19.12 C ATOM 1556 CG GLU A 102 73.479 1.359 -6.162 1.00 20.95 C ATOM 1557 CD GLU A 102 73.518 2.796 -6.660 1.00 24.69 C ATOM 1558 OE1 GLU A 102 74.121 3.630 -5.973 1.00 25.74 O ATOM 1559 OE2 GLU A 102 72.933 3.104 -7.720 1.00 27.12 O ATOM 1560 HA GLU A 102 72.688 -1.226 -5.928 1.00 0.00 H ATOM 1561 HB2 GLU A 102 71.731 0.700 -7.183 1.00 0.00 H ATOM 1562 HB3 GLU A 102 71.424 1.496 -5.621 1.00 0.00 H ATOM 1563 HG2 GLU A 102 73.878 1.327 -5.148 1.00 0.00 H ATOM 1564 HG3 GLU A 102 74.099 0.744 -6.814 1.00 0.00 H ATOM 1565 H GLU A 102 69.790 -0.576 -5.312 1.00 0.00 H ATOM 1566 N LEU A 103 73.190 -1.068 -3.445 1.00 15.70 N ATOM 1567 CA LEU A 103 73.519 -1.004 -2.011 1.00 12.41 C ATOM 1568 C LEU A 103 74.409 0.217 -1.750 1.00 17.73 C ATOM 1569 O LEU A 103 75.593 0.194 -2.046 1.00 15.68 O ATOM 1570 CB LEU A 103 74.217 -2.297 -1.557 1.00 9.28 C ATOM 1571 CG LEU A 103 74.580 -2.426 -0.066 1.00 15.95 C ATOM 1572 CD1 LEU A 103 73.344 -2.223 0.817 1.00 16.66 C ATOM 1573 CD2 LEU A 103 75.199 -3.802 0.217 1.00 8.00 C ATOM 1574 HA LEU A 103 72.599 -0.904 -1.434 1.00 0.00 H ATOM 1575 HB2 LEU A 103 73.557 -3.128 -1.805 1.00 0.00 H ATOM 1576 HB3 LEU A 103 75.142 -2.386 -2.127 1.00 0.00 H ATOM 1577 HG LEU A 103 75.309 -1.651 0.171 1.00 0.00 H ATOM 1578 HD21 LEU A 103 74.483 -4.582 -0.043 1.00 0.00 H ATOM 1579 HD22 LEU A 103 76.103 -3.922 -0.381 1.00 0.00 H ATOM 1580 HD23 LEU A 103 75.449 -3.876 1.275 1.00 0.00 H ATOM 1581 HD11 LEU A 103 72.932 -1.229 0.641 1.00 0.00 H ATOM 1582 HD12 LEU A 103 72.596 -2.977 0.571 1.00 0.00 H ATOM 1583 HD13 LEU A 103 73.628 -2.319 1.865 1.00 0.00 H ATOM 1584 H LEU A 103 73.793 -1.640 -4.069 1.00 0.00 H ATOM 1585 N LEU A 104 73.839 1.261 -1.156 1.00 18.19 N ATOM 1586 CA LEU A 104 74.547 2.517 -0.908 1.00 22.50 C ATOM 1587 C LEU A 104 75.515 2.600 0.268 1.00 20.44 C ATOM 1588 O LEU A 104 76.484 3.351 0.227 1.00 19.17 O ATOM 1589 CB LEU A 104 73.537 3.654 -0.748 1.00 25.20 C ATOM 1590 CG LEU A 104 72.620 3.991 -1.916 1.00 26.79 C ATOM 1591 CD1 LEU A 104 71.698 5.137 -1.511 1.00 30.45 C ATOM 1592 CD2 LEU A 104 73.471 4.378 -3.105 1.00 24.29 C ATOM 1593 HA LEU A 104 75.184 2.593 -1.790 1.00 0.00 H ATOM 1594 HB2 LEU A 104 72.898 3.399 0.098 1.00 0.00 H ATOM 1595 HB3 LEU A 104 74.104 4.556 -0.515 1.00 0.00 H ATOM 1596 HG LEU A 104 72.007 3.131 -2.186 1.00 0.00 H ATOM 1597 HD21 LEU A 104 74.079 5.246 -2.848 1.00 0.00 H ATOM 1598 HD22 LEU A 104 74.120 3.544 -3.372 1.00 0.00 H ATOM 1599 HD23 LEU A 104 72.825 4.622 -3.949 1.00 0.00 H ATOM 1600 HD11 LEU A 104 71.101 4.835 -0.650 1.00 0.00 H ATOM 1601 HD12 LEU A 104 72.298 6.009 -1.251 1.00 0.00 H ATOM 1602 HD13 LEU A 104 71.039 5.383 -2.344 1.00 0.00 H ATOM 1603 H LEU A 104 72.847 1.181 -0.855 1.00 0.00 H ATOM 1604 N LYS A 105 75.197 1.901 1.347 1.00 17.00 N ATOM 1605 CA LYS A 105 76.000 1.940 2.553 1.00 14.25 C ATOM 1606 C LYS A 105 75.358 1.020 3.580 1.00 18.39 C ATOM 1607 O LYS A 105 74.301 0.438 3.336 1.00 16.86 O ATOM 1608 CB LYS A 105 76.019 3.366 3.103 1.00 14.65 C ATOM 1609 CG LYS A 105 74.633 3.901 3.395 1.00 19.32 C ATOM 1610 CD LYS A 105 74.618 5.337 3.849 1.00 19.15 C ATOM 1611 CE LYS A 105 74.998 5.458 5.311 1.00 24.33 C ATOM 1612 NZ LYS A 105 74.895 6.873 5.759 1.00 26.72 N ATOM 1613 HA LYS A 105 77.020 1.621 2.338 1.00 0.00 H ATOM 1614 HB2 LYS A 105 76.598 3.376 4.026 1.00 0.00 H ATOM 1615 HB3 LYS A 105 76.496 4.016 2.370 1.00 0.00 H ATOM 1616 HG2 LYS A 105 74.035 3.821 2.487 1.00 0.00 H ATOM 1617 HG3 LYS A 105 74.186 3.288 4.178 1.00 0.00 H ATOM 1618 HD2 LYS A 105 75.328 5.906 3.249 1.00 0.00 H ATOM 1619 HD3 LYS A 105 73.617 5.744 3.708 1.00 0.00 H ATOM 1620 HE2 LYS A 105 76.023 5.112 5.446 1.00 0.00 H ATOM 1621 HE3 LYS A 105 74.326 4.842 5.909 1.00 0.00 H ATOM 1622 HZ1 LYS A 105 75.537 7.463 5.192 1.00 0.00 H ATOM 1623 HZ2 LYS A 105 73.917 7.205 5.634 1.00 0.00 H ATOM 1624 HZ3 LYS A 105 75.159 6.938 6.763 1.00 0.00 H ATOM 1625 H LYS A 105 74.345 1.306 1.328 1.00 0.00 H ATOM 1626 N LEU A 106 75.994 0.896 4.733 1.00 18.85 N ATOM 1627 CA LEU A 106 75.489 0.067 5.804 1.00 21.38 C ATOM 1628 C LEU A 106 75.532 0.951 7.037 1.00 23.94 C ATOM 1629 O LEU A 106 76.370 1.863 7.119 1.00 24.77 O ATOM 1630 CB LEU A 106 76.372 -1.176 6.018 1.00 19.71 C ATOM 1631 CG LEU A 106 76.487 -2.226 4.916 1.00 18.95 C ATOM 1632 CD1 LEU A 106 77.299 -3.397 5.405 1.00 16.67 C ATOM 1633 CD2 LEU A 106 75.114 -2.715 4.473 1.00 25.80 C ATOM 1634 HA LEU A 106 74.487 -0.300 5.582 1.00 0.00 H ATOM 1635 HB2 LEU A 106 77.381 -0.816 6.217 1.00 0.00 H ATOM 1636 HB3 LEU A 106 75.989 -1.687 6.902 1.00 0.00 H ATOM 1637 HG LEU A 106 76.981 -1.762 4.062 1.00 0.00 H ATOM 1638 HD21 LEU A 106 74.596 -3.159 5.323 1.00 0.00 H ATOM 1639 HD22 LEU A 106 74.535 -1.873 4.092 1.00 0.00 H ATOM 1640 HD23 LEU A 106 75.232 -3.462 3.688 1.00 0.00 H ATOM 1641 HD11 LEU A 106 78.296 -3.056 5.682 1.00 0.00 H ATOM 1642 HD12 LEU A 106 76.811 -3.839 6.273 1.00 0.00 H ATOM 1643 HD13 LEU A 106 77.376 -4.141 4.612 1.00 0.00 H ATOM 1644 H LEU A 106 76.886 1.412 4.874 1.00 0.00 H ATOM 1645 N GLU A 107 74.597 0.728 7.954 1.00 24.03 N ATOM 1646 CA GLU A 107 74.527 1.483 9.200 1.00 26.94 C ATOM 1647 C GLU A 107 74.315 0.512 10.366 1.00 30.00 C ATOM 1648 O GLU A 107 74.076 -0.692 10.108 1.00 31.38 O ATOM 1649 CB GLU A 107 73.399 2.521 9.170 1.00 28.09 C ATOM 1650 CG GLU A 107 73.564 3.599 8.113 1.00 26.58 C ATOM 1651 CD GLU A 107 72.486 4.662 8.169 1.00 35.01 C ATOM 1652 OE1 GLU A 107 71.483 4.453 8.890 1.00 34.72 O ATOM 1653 OE2 GLU A 107 72.639 5.707 7.492 1.00 34.58 O ATOM 1654 HA GLU A 107 75.466 2.022 9.328 1.00 0.00 H ATOM 1655 OXT GLU A 107 74.411 0.953 11.536 1.00 32.46 O ATOM 1656 HB2 GLU A 107 72.461 1.999 8.981 1.00 0.00 H ATOM 1657 HB3 GLU A 107 73.355 3.004 10.146 1.00 0.00 H ATOM 1658 HG2 GLU A 107 74.532 4.079 8.256 1.00 0.00 H ATOM 1659 HG3 GLU A 107 73.535 3.128 7.130 1.00 0.00 H ATOM 1660 H GLU A 107 73.889 -0.012 7.777 1.00 0.00 H TER 1661 GLU A 107 HETATM 1662 O HOH 1 55.525 -12.540 -5.668 1.00 10.63 O HETATM 1663 O HOH 2 45.059 -13.604 -3.681 1.00 15.47 O HETATM 1664 O HOH 3 80.277 -8.240 -4.320 1.00 40.86 O HETATM 1665 O HOH 4 49.385 -15.373 -12.244 1.00 20.91 O HETATM 1666 O HOH 5 53.009 -13.476 -5.807 1.00 18.18 O HETATM 1667 O HOH 6 76.876 -11.617 4.307 1.00 32.22 O HETATM 1668 O HOH 7 68.976 0.268 -8.314 1.00 43.89 O HETATM 1669 O HOH 8 59.695 -16.580 1.776 1.00 21.97 O HETATM 1670 O HOH 9 58.862 -13.211 1.312 1.00 24.95 O HETATM 1671 O HOH 10 61.757 4.356 -0.207 1.00 30.92 O HETATM 1672 O HOH 11 63.410 4.992 -11.497 1.00 39.28 O HETATM 1673 O HOH 12 75.877 -14.461 1.913 1.00 20.62 O HETATM 1674 O HOH 13 70.180 3.144 11.089 1.00 44.85 O HETATM 1675 O HOH 14 78.542 4.395 6.444 1.00 33.85 O HETATM 1676 O HOH 15 65.624 -16.711 -9.868 1.00 60.73 O HETATM 1677 O HOH 16 68.951 -11.757 -11.687 1.00 27.97 O HETATM 1678 O HOH 17 55.722 -4.390 -20.230 1.00 47.79 O HETATM 1679 O HOH 18 68.584 -18.804 -4.368 1.00 33.27 O HETATM 1680 O HOH 19 47.422 -11.010 -6.610 1.00 16.69 O HETATM 1681 O HOH 20 82.048 -7.856 5.204 1.00 54.34 O HETATM 1682 O HOH 21 58.139 -11.500 7.215 1.00 16.19 O HETATM 1683 O HOH 22 59.294 -13.665 6.149 1.00 28.61 O HETATM 1684 O HOH 23 54.253 -19.294 -5.481 1.00 39.32 O HETATM 1685 O HOH 24 61.584 -12.614 4.452 1.00 48.45 O HETATM 1686 O HOH 25 72.560 -15.485 0.897 1.00 25.02 O HETATM 1687 O HOH 26 75.272 -12.450 9.869 1.00 43.96 O HETATM 1688 O HOH 27 86.552 -1.528 1.287 1.00 30.91 O HETATM 1689 O HOH 28 86.937 -2.643 -5.507 1.00 44.06 O HETATM 1690 O HOH 29 78.713 1.511 5.213 1.00 45.07 O HETATM 1691 O HOH 30 47.962 -19.389 0.965 1.00 46.70 O HETATM 1692 O HOH 31 73.971 9.037 7.471 1.00 34.88 O HETATM 1693 O HOH 32 71.432 -13.712 -16.990 1.00 65.71 O HETATM 1694 O HOH 33 62.006 -20.530 0.080 1.00 60.54 O HETATM 1695 O HOH 34 49.167 -5.636 -10.906 1.00 55.48 O HETATM 1696 O HOH 35 66.734 -0.220 -14.554 1.00 49.87 O HETATM 1697 O HOH 36 81.041 -6.216 -6.531 1.00 30.41 O HETATM 1698 O HOH 37 76.400 -11.032 -6.900 1.00 65.43 O HETATM 1699 O HOH 38 77.300 -11.557 -11.898 1.00 47.51 O HETATM 1700 O HOH 39 51.400 -3.313 -10.010 1.00 44.53 O HETATM 1701 O HOH 40 84.625 -4.579 5.738 1.00 57.19 O HETATM 1702 O HOH 41 44.052 -16.134 -4.492 1.00 62.92 O HETATM 1703 O HOH 42 71.544 -17.130 -5.221 1.00 40.07 O HETATM 1704 O HOH 43 78.198 0.051 -8.647 1.00 44.40 O HETATM 1705 O HOH 44 66.275 -16.830 4.650 1.00 36.57 O HETATM 1706 O HOH 45 57.107 1.170 -1.095 1.00 37.06 O HETATM 1707 O HOH 46 64.482 -7.219 7.203 1.00 22.92 O HETATM 1708 O HOH 47 58.719 -3.064 -3.333 1.00 33.61 O HETATM 1709 O HOH 48 58.734 -3.697 2.930 1.00 30.16 O HETATM 1710 O HOH 49 57.553 -6.781 1.355 1.00 17.23 O HETATM 1711 O HOH 50 60.223 -2.953 6.202 1.00 25.15 O HETATM 1712 O HOH 51 63.372 3.407 5.041 1.00 33.35 O HETATM 1713 O HOH 52 87.519 -10.825 -3.686 1.00 31.80 O HETATM 1714 O HOH 53 63.212 -17.308 -11.837 1.00 27.49 O HETATM 1715 O HOH 54 76.920 -14.853 4.508 1.00 34.93 O HETATM 1716 O HOH 55 68.282 -4.485 -14.372 1.00 36.29 O HETATM 1717 O HOH 56 60.425 -13.650 -5.339 1.00 46.77 O HETATM 1718 S DSS A 57 60.671 -5.462 -0.241 1.00 0.03 S HETATM 1719 C2 DSS A 57 59.960 -3.949 0.163 1.00 0.07 C HETATM 1720 S3 DSS A 57 60.504 -2.604 -0.898 1.00 -0.15 S HETATM 1721 C4 DSS A 57 60.050 -1.196 0.212 1.00 -0.02 C HETATM 1722 H6 DSS A 57 60.313 -0.245 -0.275 1.00 0.03 H HETATM 1723 H7 DSS A 57 60.599 -1.286 1.161 1.00 0.03 H HETATM 1724 H8 DSS A 57 58.968 -1.219 0.410 1.00 0.03 H HETATM 1725 H4 DSS A 57 60.226 -3.704 1.202 1.00 0.05 H HETATM 1726 H5 DSS A 57 58.867 -4.042 0.077 1.00 0.05 H HETATM 1727 C1 DSS A 57 59.837 -5.692 -1.805 1.00 0.01 C HETATM 1728 H1 DSS A 57 60.160 -6.642 -2.256 1.00 0.04 H HETATM 1729 H2 DSS A 57 60.089 -4.861 -2.481 1.00 0.04 H HETATM 1730 H3 DSS A 57 58.750 -5.715 -1.641 1.00 0.04 H HETATM 1731 O DSS A 57 60.149 -6.488 0.729 1.00 -0.26 O CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1718 1719 1727 1731 CONECT 1719 1718 1720 1725 1726 CONECT 1720 1719 1721 CONECT 1721 1720 1722 1723 1724 CONECT 1722 1721 CONECT 1723 1721 CONECT 1724 1721 CONECT 1725 1719 CONECT 1726 1719 CONECT 1727 1718 1728 1729 1730 CONECT 1728 1727 CONECT 1729 1727 CONECT 1730 1727 CONECT 1731 1718 MASTER 0 0 0 0 0 0 0 0 1730 1 18 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1d7i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a7x
RCSB PDB
PDBbind
107aa, >1A7X_1|Chains... *
1b6c
RCSB PDB
PDBbind
107aa, >1B6C_1|Chains... at 100%
1bl4
RCSB PDB
PDBbind
107aa, >1BL4_1|Chains... at 99%
1d7j
RCSB PDB
PDBbind
107aa, >1D7J_1|Chains... at 100%
1f40
RCSB PDB
PDBbind
107aa, >1F40_1|Chain... at 100%
1fkb
RCSB PDB
PDBbind
107aa, >1FKB_1|Chain... at 100%
1fkf
RCSB PDB
PDBbind
107aa, >1FKF_1|Chain... at 100%
1fkg
RCSB PDB
PDBbind
107aa, >1FKG_1|Chain... at 100%
1fkh
RCSB PDB
PDBbind
107aa, >1FKH_1|Chain... at 100%
1fki
RCSB PDB
PDBbind
107aa, >1FKI_1|Chains... at 100%
1j4r
RCSB PDB
PDBbind
107aa, >1J4R_1|Chains... at 100%
1qpf
RCSB PDB
PDBbind
107aa, >1QPF_1|Chains... at 100%
1qpl
RCSB PDB
PDBbind
107aa, >1QPL_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1d7i
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
FK506 binding protein
Ligand Name
DSS
EC.Number
E.C.5.2.1.8
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=250uM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v295 pp. 953-62, 2000
Ligand Properties
Formula
C
3
H
8
OS
2
Molecular Weight
124.225
Exact Mass
124.002
No. of atoms
14
No. of bonds
13
Polar Surface Area
61.58
LOGP Value
0.07 (
Computed with XLOGP3
)
1.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 0
Canonical SMILES
CSC[S@@](=O)C
InChI String
InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3/t6-/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):
P62942
Entrez Gene ID
NCBI Entrez Gene ID:
2280
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓