Browse entries in the PDBbind-CN Database
HEADER 6IAE_COMPLEX COMPND 6IAE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 28 ASP ASP LEU VAL LYS ILE LEU VAL LEU GLY PRO SER LYS SEQRES 2 A 28 SER GLY LYS SER THR VAL THR ASN PHE LEU ALA GLY THR SEQRES 3 A 28 ARG ASP SEQRES 1 A 14 GLU THR ASN PRO LEU ARG VAL LEU GLU VAL GLU ILE ALA SEQRES 2 A 14 LEU SEQRES 1 A 12 LYS ALA VAL VAL GLN LEU TRP ASP VAL GLY GLY SER SEQRES 1 A 34 TRP PRO ALA ILE ALA SER ASN ALA ASP GLY ILE ILE TYR SEQRES 2 A 34 VAL PHE ASN PRO GLU VAL LYS GLY SER GLU LYS GLU LEU SEQRES 3 A 34 LEU LEU TRP TYR LYS ASN PHE ALA SEQRES 1 A 67 MET ARG VAL THR ASP GLY HIS SER LEU ILE PHE SER HIS SEQRES 2 A 67 HIS SER SER LEU PRO GLU PHE ALA VAL GLY ASP ASN ALA SEQRES 3 A 67 ILE PRO PRO MET PRO LYS GLN LEU GLN GLY ILE ARG ALA SEQRES 4 A 67 LEU GLU THR SER LEU ASP TYR GLN SER ASP ASN PHE LYS SEQRES 5 A 67 GLU ALA PHE ASP ALA LEU VAL GLU GLN ILE ILE ALA SER SEQRES 6 A 67 ARG LEU HET MG A 1 1 HET GTP A 163 41 ATOM 1 N ASP A 3 -12.410 -14.567 40.770 1.00 77.74 N ATOM 2 CA ASP A 3 -11.373 -15.178 39.952 1.00 76.17 C ATOM 3 C ASP A 3 -11.799 -15.192 38.496 1.00 76.12 C ATOM 4 O ASP A 3 -11.711 -16.218 37.825 1.00 74.50 O ATOM 5 CB ASP A 3 -11.079 -16.598 40.430 1.00 73.15 C ATOM 6 HN3 ASP A 3 -13.290 -15.113 40.676 1.00 0.00 H ATOM 7 HN2 ASP A 3 -12.571 -13.590 40.451 1.00 0.00 H ATOM 8 HN1 ASP A 3 -12.107 -14.563 41.765 1.00 0.00 H ATOM 9 N ASP A 4 -12.259 -14.042 38.011 1.00 79.54 N ATOM 10 CA ASP A 4 -12.857 -13.968 36.687 1.00 81.31 C ATOM 11 C ASP A 4 -11.784 -14.029 35.609 1.00 79.00 C ATOM 12 O ASP A 4 -10.844 -13.228 35.595 1.00 68.77 O ATOM 13 CB ASP A 4 -13.695 -12.700 36.551 1.00 84.89 C ATOM 14 CG ASP A 4 -14.941 -12.734 37.424 1.00 96.54 C ATOM 15 OD1 ASP A 4 -14.883 -13.309 38.534 1.00 98.25 O ATOM 16 OD2 ASP A 4 -15.985 -12.199 36.997 1.00101.02 O ATOM 17 H ASP A 4 -12.190 -13.180 38.589 1.00 0.00 H ATOM 18 N LEU A 5 -11.943 -14.981 34.701 1.00 79.40 N ATOM 19 CA LEU A 5 -10.957 -15.273 33.678 1.00 77.34 C ATOM 20 C LEU A 5 -10.981 -14.209 32.587 1.00 75.03 C ATOM 21 O LEU A 5 -11.905 -13.399 32.486 1.00 79.58 O ATOM 22 CB LEU A 5 -11.212 -16.655 33.076 1.00 78.52 C ATOM 23 H LEU A 5 -12.816 -15.546 34.723 1.00 0.00 H ATOM 24 N VAL A 6 -9.928 -14.214 31.775 1.00 70.60 N ATOM 25 CA VAL A 6 -9.823 -13.373 30.590 1.00 66.44 C ATOM 26 C VAL A 6 -9.517 -14.280 29.410 1.00 63.79 C ATOM 27 O VAL A 6 -8.693 -15.195 29.515 1.00 65.37 O ATOM 28 CB VAL A 6 -8.750 -12.272 30.750 1.00 66.69 C ATOM 29 CG1 VAL A 6 -7.418 -12.871 31.165 1.00 66.58 C ATOM 30 CG2 VAL A 6 -8.601 -11.498 29.465 1.00 66.81 C ATOM 31 H VAL A 6 -9.137 -14.852 31.998 1.00 0.00 H ATOM 32 N LYS A 7 -10.198 -14.037 28.294 1.00 66.18 N ATOM 33 CA LYS A 7 -10.172 -14.920 27.132 1.00 63.97 C ATOM 34 C LYS A 7 -9.349 -14.280 26.030 1.00 58.53 C ATOM 35 O LYS A 7 -9.785 -13.299 25.420 1.00 71.60 O ATOM 36 CB LYS A 7 -11.584 -15.201 26.635 1.00 69.34 C ATOM 37 CG LYS A 7 -11.613 -15.956 25.326 1.00 68.35 C ATOM 38 CD LYS A 7 -12.669 -17.041 25.369 1.00 62.61 C ATOM 39 CE LYS A 7 -13.124 -17.415 23.977 1.00 62.60 C ATOM 40 NZ LYS A 7 -14.516 -17.940 23.992 1.00 64.41 N ATOM 41 HZ1 LYS A 7 -14.560 -18.786 24.596 1.00 0.00 H ATOM 42 HZ2 LYS A 7 -15.156 -17.211 24.367 1.00 0.00 H ATOM 43 HZ3 LYS A 7 -14.802 -18.189 23.023 1.00 0.00 H ATOM 44 H LYS A 7 -10.778 -13.175 28.247 1.00 0.00 H ATOM 45 N ILE A 8 -8.181 -14.852 25.752 1.00 57.56 N ATOM 46 CA ILE A 8 -7.286 -14.358 24.715 1.00 56.20 C ATOM 47 C ILE A 8 -7.141 -15.439 23.653 1.00 63.53 C ATOM 48 O ILE A 8 -6.861 -16.599 23.975 1.00 69.06 O ATOM 49 CB ILE A 8 -5.914 -13.947 25.286 1.00 67.90 C ATOM 50 CG1 ILE A 8 -6.069 -12.751 26.230 1.00 55.38 C ATOM 51 CG2 ILE A 8 -4.940 -13.596 24.165 1.00 54.01 C ATOM 52 CD1 ILE A 8 -4.756 -12.137 26.671 1.00 60.93 C ATOM 53 H ILE A 8 -7.894 -15.689 26.299 1.00 0.00 H ATOM 54 N LEU A 9 -7.346 -15.057 22.394 1.00 55.69 N ATOM 55 CA LEU A 9 -7.273 -15.950 21.250 1.00 55.62 C ATOM 56 C LEU A 9 -5.919 -15.829 20.569 1.00 54.42 C ATOM 57 O LEU A 9 -5.156 -14.899 20.819 1.00 59.14 O ATOM 58 CB LEU A 9 -8.374 -15.639 20.233 1.00 56.16 C ATOM 59 CG LEU A 9 -9.812 -15.399 20.681 1.00 57.42 C ATOM 60 CD1 LEU A 9 -10.694 -15.246 19.455 1.00 57.91 C ATOM 61 CD2 LEU A 9 -10.304 -16.532 21.553 1.00 63.42 C ATOM 62 H LEU A 9 -7.572 -14.057 22.219 1.00 0.00 H ATOM 63 N VAL A 10 -5.631 -16.783 19.687 1.00 66.71 N ATOM 64 CA VAL A 10 -4.372 -16.826 18.944 1.00 66.59 C ATOM 65 C VAL A 10 -4.674 -17.196 17.489 1.00 69.25 C ATOM 66 O VAL A 10 -5.062 -18.334 17.201 1.00 76.60 O ATOM 67 CB VAL A 10 -3.371 -17.809 19.570 1.00 58.82 C ATOM 68 CG1 VAL A 10 -2.054 -17.747 18.854 1.00 59.34 C ATOM 69 CG2 VAL A 10 -3.147 -17.472 21.032 1.00 53.40 C ATOM 70 H VAL A 10 -6.333 -17.532 19.518 1.00 0.00 H ATOM 71 N LEU A 11 -4.490 -16.240 16.576 1.00 64.74 N ATOM 72 CA LEU A 11 -4.763 -16.395 15.152 1.00 59.62 C ATOM 73 C LEU A 11 -3.519 -16.066 14.337 1.00 54.86 C ATOM 74 O LEU A 11 -2.504 -15.615 14.868 1.00 53.34 O ATOM 75 CB LEU A 11 -5.914 -15.484 14.714 1.00 59.99 C ATOM 76 CG LEU A 11 -6.981 -15.199 15.766 1.00 55.25 C ATOM 77 CD1 LEU A 11 -7.899 -14.107 15.284 1.00 59.17 C ATOM 78 CD2 LEU A 11 -7.767 -16.446 16.045 1.00 55.41 C ATOM 79 H LEU A 11 -4.127 -15.322 16.903 1.00 0.00 H ATOM 80 N GLY A 12 -3.612 -16.269 13.024 1.00 52.91 N ATOM 81 CA GLY A 12 -2.530 -15.931 12.131 1.00 57.21 C ATOM 82 C GLY A 12 -2.313 -16.999 11.086 1.00 70.05 C ATOM 83 O GLY A 12 -2.953 -18.053 11.119 1.00 70.78 O ATOM 84 H GLY A 12 -4.484 -16.680 12.634 1.00 0.00 H ATOM 85 N PRO A 13 -1.414 -16.752 10.129 1.00 69.48 N ATOM 86 CA PRO A 13 -1.123 -17.771 9.116 1.00 70.42 C ATOM 87 C PRO A 13 -0.755 -19.111 9.740 1.00 71.63 C ATOM 88 O PRO A 13 -0.229 -19.187 10.853 1.00 72.45 O ATOM 89 CB PRO A 13 0.052 -17.170 8.338 1.00 64.56 C ATOM 90 CG PRO A 13 -0.157 -15.706 8.448 1.00 63.78 C ATOM 91 CD PRO A 13 -0.742 -15.477 9.823 1.00 70.77 C ATOM 92 N SER A 14 -1.087 -20.175 9.023 1.00 68.26 N ATOM 93 CA SER A 14 -0.630 -21.494 9.407 1.00 70.86 C ATOM 94 C SER A 14 0.885 -21.574 9.262 1.00 72.89 C ATOM 95 O SER A 14 1.506 -20.793 8.532 1.00 79.07 O ATOM 96 CB SER A 14 -1.311 -22.554 8.549 1.00 82.64 C ATOM 97 OG SER A 14 -1.498 -22.064 7.232 1.00 95.27 O ATOM 98 HG SER A 14 -1.940 -22.758 6.682 1.00 0.00 H ATOM 99 H SER A 14 -1.681 -20.061 8.177 1.00 0.00 H ATOM 100 N LYS A 15 1.483 -22.522 9.986 1.00 69.98 N ATOM 101 CA LYS A 15 2.928 -22.745 10.031 1.00 66.09 C ATOM 102 C LYS A 15 3.694 -21.537 10.559 1.00 64.44 C ATOM 103 O LYS A 15 4.928 -21.498 10.461 1.00 67.22 O ATOM 104 CB LYS A 15 3.478 -23.148 8.653 1.00 68.85 C ATOM 105 CG LYS A 15 2.599 -24.133 7.875 1.00 73.13 C ATOM 106 CD LYS A 15 2.783 -24.012 6.358 1.00 75.43 C ATOM 107 CE LYS A 15 2.609 -22.578 5.884 1.00 77.90 C ATOM 108 NZ LYS A 15 2.573 -22.489 4.399 1.00 80.53 N ATOM 109 HZ1 LYS A 15 3.464 -22.857 4.009 1.00 0.00 H ATOM 110 HZ2 LYS A 15 1.777 -23.052 4.038 1.00 0.00 H ATOM 111 HZ3 LYS A 15 2.453 -21.496 4.115 1.00 0.00 H ATOM 112 H LYS A 15 0.879 -23.146 10.558 1.00 0.00 H ATOM 113 N SER A 16 2.991 -20.549 11.116 1.00 59.47 N ATOM 114 CA SER A 16 3.628 -19.318 11.555 1.00 51.82 C ATOM 115 C SER A 16 4.283 -19.477 12.912 1.00 57.21 C ATOM 116 O SER A 16 5.333 -18.877 13.165 1.00 62.94 O ATOM 117 CB SER A 16 2.603 -18.192 11.605 1.00 51.55 C ATOM 118 OG SER A 16 1.457 -18.598 12.330 1.00 58.26 O ATOM 119 HG SER A 16 1.050 -19.385 11.888 1.00 0.00 H ATOM 120 H SER A 16 1.964 -20.662 11.239 1.00 0.00 H ATOM 121 N GLY A 17 3.686 -20.276 13.788 1.00 63.05 N ATOM 122 CA GLY A 17 4.274 -20.543 15.083 1.00 61.76 C ATOM 123 C GLY A 17 3.347 -20.384 16.269 1.00 51.79 C ATOM 124 O GLY A 17 3.825 -20.389 17.401 1.00 51.73 O ATOM 125 H GLY A 17 2.778 -20.719 13.539 1.00 0.00 H ATOM 126 N LYS A 18 2.032 -20.308 16.038 1.00 59.34 N ATOM 127 CA LYS A 18 1.127 -19.793 17.062 1.00 52.06 C ATOM 128 C LYS A 18 1.197 -20.584 18.364 1.00 60.63 C ATOM 129 O LYS A 18 1.062 -20.001 19.444 1.00 65.75 O ATOM 130 CB LYS A 18 -0.321 -19.798 16.567 1.00 52.55 C ATOM 131 CG LYS A 18 -0.595 -19.409 15.124 1.00 60.46 C ATOM 132 CD LYS A 18 -1.703 -20.344 14.615 1.00 63.54 C ATOM 133 CE LYS A 18 -2.200 -20.011 13.224 1.00 67.21 C ATOM 134 NZ LYS A 18 -3.522 -19.348 13.280 1.00 74.16 N ATOM 135 HZ1 LYS A 18 -4.207 -19.982 13.738 1.00 0.00 H ATOM 136 HZ2 LYS A 18 -3.444 -18.467 13.827 1.00 0.00 H ATOM 137 HZ3 LYS A 18 -3.840 -19.130 12.314 1.00 0.00 H ATOM 138 H LYS A 18 1.651 -20.618 15.122 1.00 0.00 H ATOM 139 N SER A 19 1.411 -21.897 18.296 1.00 66.52 N ATOM 140 CA SER A 19 1.321 -22.727 19.492 1.00 69.39 C ATOM 141 C SER A 19 2.633 -22.836 20.248 1.00 73.00 C ATOM 142 O SER A 19 2.606 -22.991 21.471 1.00 78.95 O ATOM 143 CB SER A 19 0.837 -24.140 19.130 1.00 71.28 C ATOM 144 OG SER A 19 -0.295 -24.124 18.284 1.00 75.76 O ATOM 145 HG SER A 19 -1.038 -23.654 18.738 1.00 0.00 H ATOM 146 H SER A 19 1.644 -22.334 17.382 1.00 0.00 H ATOM 147 N THR A 20 3.777 -22.757 19.562 1.00 77.23 N ATOM 148 CA THR A 20 5.036 -22.636 20.288 1.00 66.35 C ATOM 149 C THR A 20 4.998 -21.444 21.223 1.00 58.83 C ATOM 150 O THR A 20 5.621 -21.470 22.291 1.00 64.07 O ATOM 151 CB THR A 20 6.212 -22.518 19.317 1.00 68.26 C ATOM 152 OG1 THR A 20 5.815 -21.744 18.178 1.00 74.25 O ATOM 153 CG2 THR A 20 6.676 -23.908 18.870 1.00 63.43 C ATOM 154 HG1 THR A 20 5.056 -22.190 17.725 1.00 0.00 H ATOM 155 H THR A 20 3.770 -22.782 18.522 1.00 0.00 H ATOM 156 N VAL A 21 4.252 -20.403 20.848 1.00 58.54 N ATOM 157 CA VAL A 21 4.073 -19.255 21.730 1.00 51.62 C ATOM 158 C VAL A 21 3.121 -19.600 22.870 1.00 59.11 C ATOM 159 O VAL A 21 3.392 -19.298 24.040 1.00 58.36 O ATOM 160 CB VAL A 21 3.583 -18.043 20.921 1.00 50.96 C ATOM 161 CG1 VAL A 21 3.172 -16.941 21.835 1.00 60.15 C ATOM 162 CG2 VAL A 21 4.676 -17.558 19.981 1.00 50.38 C ATOM 163 H VAL A 21 3.792 -20.410 19.915 1.00 0.00 H ATOM 164 N THR A 22 2.016 -20.284 22.550 1.00 56.84 N ATOM 165 CA THR A 22 1.011 -20.615 23.558 1.00 56.60 C ATOM 166 C THR A 22 1.619 -21.404 24.707 1.00 67.13 C ATOM 167 O THR A 22 1.413 -21.075 25.880 1.00 77.83 O ATOM 168 CB THR A 22 -0.131 -21.416 22.935 1.00 54.61 C ATOM 169 OG1 THR A 22 -0.612 -20.755 21.764 1.00 54.02 O ATOM 170 CG2 THR A 22 -1.259 -21.542 23.922 1.00 57.37 C ATOM 171 HG1 THR A 22 0.124 -20.673 21.107 1.00 0.00 H ATOM 172 H THR A 22 1.870 -20.586 21.565 1.00 0.00 H ATOM 173 N ASN A 23 2.355 -22.467 24.384 1.00 67.97 N ATOM 174 CA ASN A 23 2.950 -23.307 25.416 1.00 66.52 C ATOM 175 C ASN A 23 3.995 -22.544 26.203 1.00 65.11 C ATOM 176 O ASN A 23 4.030 -22.618 27.438 1.00 67.43 O ATOM 177 CB ASN A 23 3.574 -24.545 24.785 1.00 62.63 C ATOM 178 CG ASN A 23 2.557 -25.602 24.475 1.00 57.52 C ATOM 179 OD1 ASN A 23 1.629 -25.831 25.248 1.00 58.39 O ATOM 180 ND2 ASN A 23 2.715 -26.252 23.331 1.00 57.58 N ATOM 181 HD22 ASN A 23 3.517 -26.023 22.709 1.00 0.00 H ATOM 182 HD21 ASN A 23 2.037 -26.991 23.055 1.00 0.00 H ATOM 183 H ASN A 23 2.507 -22.700 23.382 1.00 0.00 H ATOM 184 N PHE A 24 4.860 -21.817 25.497 1.00 62.18 N ATOM 185 CA PHE A 24 5.838 -20.964 26.160 1.00 68.49 C ATOM 186 C PHE A 24 5.159 -19.914 27.030 1.00 65.26 C ATOM 187 O PHE A 24 5.619 -19.623 28.140 1.00 73.19 O ATOM 188 CB PHE A 24 6.728 -20.298 25.116 1.00 70.85 C ATOM 189 CG PHE A 24 8.140 -20.100 25.564 1.00 70.97 C ATOM 190 CD1 PHE A 24 9.042 -21.158 25.540 1.00 74.47 C ATOM 191 CD2 PHE A 24 8.569 -18.859 26.009 1.00 67.85 C ATOM 192 CE1 PHE A 24 10.353 -20.980 25.948 1.00 76.34 C ATOM 193 CE2 PHE A 24 9.875 -18.669 26.419 1.00 73.89 C ATOM 194 CZ PHE A 24 10.771 -19.732 26.389 1.00 78.72 C ATOM 195 H PHE A 24 4.837 -21.859 24.458 1.00 0.00 H ATOM 196 N LEU A 25 4.054 -19.347 26.558 1.00 56.49 N ATOM 197 CA LEU A 25 3.372 -18.334 27.353 1.00 53.20 C ATOM 198 C LEU A 25 2.556 -18.947 28.487 1.00 56.57 C ATOM 199 O LEU A 25 2.622 -18.479 29.631 1.00 54.71 O ATOM 200 CB LEU A 25 2.480 -17.494 26.451 1.00 52.69 C ATOM 201 CG LEU A 25 3.206 -16.545 25.511 1.00 51.55 C ATOM 202 CD1 LEU A 25 2.210 -15.557 24.990 1.00 51.25 C ATOM 203 CD2 LEU A 25 4.342 -15.839 26.214 1.00 51.17 C ATOM 204 H LEU A 25 3.679 -19.624 25.628 1.00 0.00 H ATOM 205 N ALA A 26 1.771 -19.988 28.184 1.00 58.19 N ATOM 206 CA ALA A 26 0.908 -20.603 29.183 1.00 60.32 C ATOM 207 C ALA A 26 1.675 -21.452 30.185 1.00 72.11 C ATOM 208 O ALA A 26 1.145 -21.745 31.264 1.00 76.55 O ATOM 209 CB ALA A 26 -0.161 -21.450 28.502 1.00 57.25 C ATOM 210 H ALA A 26 1.777 -20.366 27.215 1.00 0.00 H ATOM 211 N GLY A 27 2.910 -21.842 29.862 1.00 74.70 N ATOM 212 CA GLY A 27 3.814 -22.474 30.805 1.00 71.64 C ATOM 213 C GLY A 27 4.393 -23.787 30.322 1.00 78.42 C ATOM 214 O GLY A 27 5.502 -24.152 30.728 1.00 82.70 O ATOM 215 H GLY A 27 3.240 -21.686 28.888 1.00 0.00 H ATOM 216 N THR A 28 3.665 -24.502 29.470 1.00 84.15 N ATOM 217 CA THR A 28 4.159 -25.766 28.946 1.00 85.26 C ATOM 218 C THR A 28 5.554 -25.568 28.388 1.00 93.77 C ATOM 219 O THR A 28 5.765 -24.739 27.500 1.00 99.77 O ATOM 220 CB THR A 28 3.212 -26.291 27.874 1.00 81.37 C ATOM 221 OG1 THR A 28 1.861 -26.168 28.341 1.00 79.98 O ATOM 222 CG2 THR A 28 3.501 -27.757 27.589 1.00 87.02 C ATOM 223 HG1 THR A 28 1.241 -26.508 27.648 1.00 0.00 H ATOM 224 H THR A 28 2.731 -24.153 29.174 1.00 0.00 H ATOM 225 N ARG A 29 6.503 -26.323 28.931 1.00 92.23 N ATOM 226 CA ARG A 29 7.903 -25.937 28.895 1.00 99.25 C ATOM 227 C ARG A 29 8.435 -25.862 27.462 1.00 99.53 C ATOM 228 O ARG A 29 7.774 -26.241 26.493 1.00102.47 O ATOM 229 CB ARG A 29 8.739 -26.922 29.713 1.00105.53 C ATOM 230 CG ARG A 29 8.249 -27.149 31.136 1.00107.37 C ATOM 231 CD ARG A 29 8.132 -28.637 31.443 1.00111.01 C ATOM 232 NE ARG A 29 9.360 -29.367 31.129 1.00113.59 N ATOM 233 CZ ARG A 29 9.613 -30.612 31.528 1.00115.52 C ATOM 234 NH1 ARG A 29 8.723 -31.270 32.260 1.00114.65 N ATOM 235 NH2 ARG A 29 10.757 -31.201 31.198 1.00116.30 N ATOM 236 HE ARG A 29 10.082 -28.883 30.558 1.00 0.00 H ATOM 237 HH12 ARG A 29 8.922 -32.242 32.571 1.00 0.00 H ATOM 238 HH11 ARG A 29 7.826 -30.813 32.523 1.00 0.00 H ATOM 239 HH22 ARG A 29 10.951 -32.173 31.512 1.00 0.00 H ATOM 240 HH21 ARG A 29 11.459 -30.690 30.626 1.00 0.00 H ATOM 241 H ARG A 29 6.236 -27.215 29.395 1.00 0.00 H ATOM 242 N ASP A 30 9.650 -25.331 27.346 1.00 93.42 N ATOM 243 CA ASP A 30 10.471 -25.466 26.144 1.00 87.64 C ATOM 244 C ASP A 30 9.754 -24.999 24.877 1.00 82.37 C ATOM 245 O ASP A 30 10.014 -25.502 23.781 1.00 75.99 O ATOM 246 CB ASP A 30 10.927 -26.926 25.993 1.00 86.51 C ATOM 247 CG ASP A 30 11.902 -27.361 27.094 1.00 87.98 C ATOM 248 OD1 ASP A 30 13.097 -27.562 26.791 1.00 87.80 O ATOM 249 OD2 ASP A 30 11.481 -27.507 28.262 1.00 86.30 O ATOM 250 H ASP A 30 10.034 -24.794 28.150 1.00 0.00 H TER 251 ASP A 30 ATOM 252 N GLU A 38 0.014 -31.146 10.875 1.00 91.94 N ATOM 253 CA GLU A 38 0.349 -31.480 12.255 1.00 91.04 C ATOM 254 C GLU A 38 -0.109 -30.382 13.220 1.00 91.87 C ATOM 255 O GLU A 38 0.152 -30.449 14.427 1.00 83.90 O ATOM 256 CB GLU A 38 1.847 -31.726 12.392 1.00 89.31 C ATOM 257 HN3 GLU A 38 0.483 -30.256 10.611 1.00 0.00 H ATOM 258 HN2 GLU A 38 -1.016 -31.036 10.787 1.00 0.00 H ATOM 259 HN1 GLU A 38 0.337 -31.909 10.247 1.00 0.00 H ATOM 260 N THR A 39 -0.779 -29.362 12.684 1.00 97.53 N ATOM 261 CA THR A 39 -1.455 -28.377 13.516 1.00104.56 C ATOM 262 C THR A 39 -2.903 -28.813 13.705 1.00119.48 C ATOM 263 O THR A 39 -3.541 -29.334 12.783 1.00121.08 O ATOM 264 CB THR A 39 -1.367 -26.964 12.913 1.00 92.27 C ATOM 265 OG1 THR A 39 -1.466 -25.988 13.958 1.00 85.87 O ATOM 266 CG2 THR A 39 -2.465 -26.703 11.893 1.00 89.57 C ATOM 267 HG1 THR A 39 -1.409 -25.080 13.567 1.00 0.00 H ATOM 268 H THR A 39 -0.820 -29.268 11.649 1.00 0.00 H ATOM 269 N ASN A 40 -3.380 -28.658 14.893 1.00123.87 N ATOM 270 CA ASN A 40 -4.689 -29.071 15.367 1.00118.30 C ATOM 271 C ASN A 40 -5.693 -27.932 15.226 1.00110.57 C ATOM 272 O ASN A 40 -5.310 -26.756 15.245 1.00116.20 O ATOM 273 CB ASN A 40 -4.604 -29.496 16.826 1.00120.51 C ATOM 274 CG ASN A 40 -3.577 -28.696 17.599 1.00123.37 C ATOM 275 OD1 ASN A 40 -3.420 -27.490 17.388 1.00121.99 O ATOM 276 ND2 ASN A 40 -2.860 -29.365 18.492 1.00123.31 N ATOM 277 HD22 ASN A 40 -3.027 -30.381 18.637 1.00 0.00 H ATOM 278 HD21 ASN A 40 -2.131 -28.873 19.048 1.00 0.00 H ATOM 279 H ASN A 40 -2.762 -28.188 15.585 1.00 0.00 H ATOM 280 N PRO A 41 -6.982 -28.265 15.079 1.00 85.87 N ATOM 281 CA PRO A 41 -8.006 -27.207 14.987 1.00 73.33 C ATOM 282 C PRO A 41 -7.951 -26.190 16.113 1.00 67.16 C ATOM 283 O PRO A 41 -7.921 -24.985 15.844 1.00 62.50 O ATOM 284 CB PRO A 41 -9.319 -28.003 14.995 1.00 63.06 C ATOM 285 CG PRO A 41 -8.961 -29.294 14.369 1.00 76.50 C ATOM 286 CD PRO A 41 -7.544 -29.598 14.800 1.00 78.05 C ATOM 287 N LEU A 42 -7.925 -26.639 17.368 1.00 71.63 N ATOM 288 CA LEU A 42 -8.041 -25.742 18.512 1.00 71.07 C ATOM 289 C LEU A 42 -7.473 -26.402 19.755 1.00 61.53 C ATOM 290 O LEU A 42 -7.697 -27.588 19.999 1.00 62.82 O ATOM 291 CB LEU A 42 -9.499 -25.354 18.776 1.00 70.41 C ATOM 292 CG LEU A 42 -9.847 -24.873 20.185 1.00 67.41 C ATOM 293 CD1 LEU A 42 -9.400 -23.448 20.367 1.00 61.01 C ATOM 294 CD2 LEU A 42 -11.336 -24.992 20.436 1.00 68.15 C ATOM 295 H LEU A 42 -7.819 -27.660 17.536 1.00 0.00 H ATOM 296 N ARG A 43 -6.744 -25.620 20.533 1.00 60.63 N ATOM 297 CA ARG A 43 -6.386 -25.979 21.888 1.00 61.21 C ATOM 298 C ARG A 43 -6.846 -24.852 22.787 1.00 65.85 C ATOM 299 O ARG A 43 -7.132 -23.750 22.327 1.00 65.04 O ATOM 300 CB ARG A 43 -4.882 -26.200 22.045 1.00 60.45 C ATOM 301 CG ARG A 43 -4.442 -27.587 21.666 1.00 61.27 C ATOM 302 CD ARG A 43 -2.937 -27.742 21.687 1.00 60.57 C ATOM 303 NE ARG A 43 -2.286 -26.792 22.577 1.00 75.01 N ATOM 304 CZ ARG A 43 -0.967 -26.656 22.680 1.00 70.59 C ATOM 305 NH1 ARG A 43 -0.166 -27.413 21.945 1.00 73.93 N ATOM 306 NH2 ARG A 43 -0.448 -25.769 23.516 1.00 64.86 N ATOM 307 HE ARG A 43 -2.888 -26.183 23.168 1.00 0.00 H ATOM 308 HH12 ARG A 43 0.866 -27.308 22.024 1.00 0.00 H ATOM 309 HH11 ARG A 43 -0.569 -28.112 21.289 1.00 0.00 H ATOM 310 HH22 ARG A 43 0.584 -25.668 23.592 1.00 0.00 H ATOM 311 HH21 ARG A 43 -1.073 -25.174 24.097 1.00 0.00 H ATOM 312 H ARG A 43 -6.414 -24.709 20.155 1.00 0.00 H ATOM 313 N VAL A 44 -6.940 -25.133 24.076 1.00 66.60 N ATOM 314 CA VAL A 44 -7.107 -24.083 25.066 1.00 61.71 C ATOM 315 C VAL A 44 -6.091 -24.331 26.157 1.00 61.76 C ATOM 316 O VAL A 44 -6.082 -25.408 26.762 1.00 79.24 O ATOM 317 CB VAL A 44 -8.521 -24.039 25.653 1.00 63.16 C ATOM 318 CG1 VAL A 44 -8.584 -22.964 26.694 1.00 62.99 C ATOM 319 CG2 VAL A 44 -9.525 -23.774 24.565 1.00 63.21 C ATOM 320 H VAL A 44 -6.893 -26.124 24.387 1.00 0.00 H ATOM 321 N LEU A 45 -5.221 -23.360 26.389 1.00 60.47 N ATOM 322 CA LEU A 45 -4.295 -23.419 27.503 1.00 65.51 C ATOM 323 C LEU A 45 -4.735 -22.427 28.563 1.00 60.73 C ATOM 324 O LEU A 45 -5.395 -21.433 28.269 1.00 63.63 O ATOM 325 CB LEU A 45 -2.862 -23.136 27.066 1.00 59.16 C ATOM 326 CG LEU A 45 -2.187 -24.189 26.184 1.00 63.39 C ATOM 327 CD1 LEU A 45 -0.720 -24.223 26.510 1.00 71.50 C ATOM 328 CD2 LEU A 45 -2.792 -25.576 26.349 1.00 66.75 C ATOM 329 H LEU A 45 -5.202 -22.535 25.756 1.00 0.00 H ATOM 330 N GLU A 46 -4.397 -22.729 29.806 1.00 61.59 N ATOM 331 CA GLU A 46 -4.863 -21.949 30.940 1.00 62.12 C ATOM 332 C GLU A 46 -3.661 -21.603 31.792 1.00 65.62 C ATOM 333 O GLU A 46 -3.049 -22.491 32.394 1.00 64.66 O ATOM 334 CB GLU A 46 -5.890 -22.723 31.747 1.00 72.24 C ATOM 335 CG GLU A 46 -6.755 -21.870 32.606 1.00 77.12 C ATOM 336 CD GLU A 46 -7.666 -22.706 33.457 1.00 84.84 C ATOM 337 OE1 GLU A 46 -7.640 -22.540 34.693 1.00 90.47 O ATOM 338 OE2 GLU A 46 -8.395 -23.545 32.888 1.00 88.51 O ATOM 339 H GLU A 46 -3.780 -23.549 29.976 1.00 0.00 H ATOM 340 N VAL A 47 -3.319 -20.321 31.822 1.00 68.54 N ATOM 341 CA VAL A 47 -2.254 -19.799 32.663 1.00 71.12 C ATOM 342 C VAL A 47 -2.861 -18.749 33.580 1.00 66.33 C ATOM 343 O VAL A 47 -3.642 -17.905 33.133 1.00 66.16 O ATOM 344 CB VAL A 47 -1.109 -19.209 31.826 1.00 72.88 C ATOM 345 CG1 VAL A 47 -1.657 -18.266 30.775 1.00 75.11 C ATOM 346 CG2 VAL A 47 -0.118 -18.501 32.723 1.00 74.36 C ATOM 347 H VAL A 47 -3.839 -19.657 31.214 1.00 0.00 H ATOM 348 N GLU A 48 -2.547 -18.832 34.862 1.00 64.69 N ATOM 349 CA GLU A 48 -2.971 -17.827 35.818 1.00 69.04 C ATOM 350 C GLU A 48 -1.814 -16.866 35.994 1.00 72.18 C ATOM 351 O GLU A 48 -0.687 -17.283 36.280 1.00 76.21 O ATOM 352 CB GLU A 48 -3.378 -18.445 37.152 1.00 78.76 C ATOM 353 H GLU A 48 -1.981 -19.639 35.193 1.00 0.00 H ATOM 354 N ILE A 49 -2.082 -15.592 35.767 1.00 72.46 N ATOM 355 CA ILE A 49 -1.087 -14.552 35.952 1.00 75.60 C ATOM 356 C ILE A 49 -1.801 -13.414 36.647 1.00 85.62 C ATOM 357 O ILE A 49 -2.799 -12.908 36.130 1.00 91.04 O ATOM 358 CB ILE A 49 -0.471 -14.085 34.623 1.00 70.95 C ATOM 359 CG1 ILE A 49 0.472 -15.158 34.086 1.00 68.54 C ATOM 360 CG2 ILE A 49 0.277 -12.771 34.804 1.00 64.10 C ATOM 361 CD1 ILE A 49 1.020 -14.864 32.736 1.00 60.13 C ATOM 362 H ILE A 49 -3.035 -15.327 35.446 1.00 0.00 H ATOM 363 N ALA A 50 -1.315 -13.025 37.820 1.00 89.63 N ATOM 364 CA ALA A 50 -2.048 -12.112 38.678 1.00 90.15 C ATOM 365 C ALA A 50 -1.083 -11.069 39.228 1.00 87.43 C ATOM 366 O ALA A 50 0.048 -10.916 38.752 1.00 80.68 O ATOM 367 CB ALA A 50 -2.775 -12.890 39.785 1.00 89.46 C ATOM 368 H ALA A 50 -0.389 -13.382 38.131 1.00 0.00 H ATOM 369 N LEU A 51 -1.561 -10.325 40.216 1.00 87.62 N ATOM 370 CA LEU A 51 -0.753 -9.362 40.944 1.00 87.91 C ATOM 371 C LEU A 51 -1.438 -9.086 42.273 1.00 92.05 C ATOM 372 O LEU A 51 -2.494 -9.653 42.569 1.00 92.09 O ATOM 373 CB LEU A 51 -0.570 -8.071 40.147 1.00 83.46 C ATOM 374 CG LEU A 51 0.564 -7.162 40.621 1.00 79.17 C ATOM 375 CD1 LEU A 51 1.156 -6.406 39.445 1.00 74.97 C ATOM 376 CD2 LEU A 51 0.083 -6.194 41.701 1.00 75.67 C ATOM 377 H LEU A 51 -2.560 -10.436 40.482 1.00 0.00 H TER 378 LEU A 51 ATOM 379 N LYS A 66 -6.903 -13.080 41.811 1.00102.75 N ATOM 380 CA LYS A 66 -6.902 -14.287 40.989 1.00 99.78 C ATOM 381 C LYS A 66 -7.231 -13.963 39.542 1.00 91.04 C ATOM 382 O LYS A 66 -8.372 -13.652 39.215 1.00 86.76 O ATOM 383 CB LYS A 66 -7.904 -15.310 41.532 1.00103.51 C ATOM 384 HN3 LYS A 66 -7.843 -12.638 41.774 1.00 0.00 H ATOM 385 HN2 LYS A 66 -6.191 -12.414 41.448 1.00 0.00 H ATOM 386 HN1 LYS A 66 -6.675 -13.331 42.794 1.00 0.00 H ATOM 387 N ALA A 67 -6.238 -14.047 38.670 1.00 83.34 N ATOM 388 CA ALA A 67 -6.425 -13.739 37.257 1.00 79.31 C ATOM 389 C ALA A 67 -5.984 -14.953 36.457 1.00 74.01 C ATOM 390 O ALA A 67 -4.789 -15.162 36.235 1.00 64.36 O ATOM 391 CB ALA A 67 -5.639 -12.502 36.865 1.00 84.40 C ATOM 392 H ALA A 67 -5.298 -14.341 39.003 1.00 0.00 H ATOM 393 N VAL A 68 -6.945 -15.760 36.043 1.00 65.95 N ATOM 394 CA VAL A 68 -6.676 -16.947 35.257 1.00 66.78 C ATOM 395 C VAL A 68 -6.886 -16.626 33.788 1.00 74.58 C ATOM 396 O VAL A 68 -7.988 -16.275 33.366 1.00 78.14 O ATOM 397 CB VAL A 68 -7.544 -18.121 35.721 1.00 68.13 C ATOM 398 CG1 VAL A 68 -9.030 -17.735 35.783 1.00 68.70 C ATOM 399 CG2 VAL A 68 -7.282 -19.293 34.807 1.00 66.26 C ATOM 400 H VAL A 68 -7.930 -15.535 36.290 1.00 0.00 H ATOM 401 N VAL A 69 -5.827 -16.751 33.015 1.00 76.08 N ATOM 402 CA VAL A 69 -5.774 -16.322 31.625 1.00 69.58 C ATOM 403 C VAL A 69 -5.860 -17.556 30.755 1.00 61.16 C ATOM 404 O VAL A 69 -5.235 -18.582 31.050 1.00 60.08 O ATOM 405 CB VAL A 69 -4.471 -15.552 31.331 1.00 70.08 C ATOM 406 CG1 VAL A 69 -4.490 -14.995 29.906 1.00 66.13 C ATOM 407 CG2 VAL A 69 -4.246 -14.447 32.324 1.00 73.90 C ATOM 408 H VAL A 69 -4.974 -17.184 33.424 1.00 0.00 H ATOM 409 N GLN A 70 -6.595 -17.447 29.662 1.00 59.54 N ATOM 410 CA GLN A 70 -6.886 -18.587 28.813 1.00 59.89 C ATOM 411 C GLN A 70 -6.416 -18.305 27.394 1.00 61.90 C ATOM 412 O GLN A 70 -7.038 -17.523 26.668 1.00 67.45 O ATOM 413 CB GLN A 70 -8.373 -18.899 28.847 1.00 61.37 C ATOM 414 CG GLN A 70 -8.702 -20.015 29.779 1.00 63.01 C ATOM 415 CD GLN A 70 -9.756 -20.895 29.201 1.00 70.98 C ATOM 416 OE1 GLN A 70 -10.647 -20.422 28.502 1.00 67.13 O ATOM 417 NE2 GLN A 70 -9.660 -22.188 29.464 1.00 72.31 N ATOM 418 HE22 GLN A 70 -8.886 -22.541 30.062 1.00 0.00 H ATOM 419 HE21 GLN A 70 -10.358 -22.852 29.072 1.00 0.00 H ATOM 420 H GLN A 70 -6.977 -16.515 29.402 1.00 0.00 H ATOM 421 N LEU A 71 -5.309 -18.926 27.011 1.00 57.82 N ATOM 422 CA LEU A 71 -4.829 -18.858 25.644 1.00 56.75 C ATOM 423 C LEU A 71 -5.576 -19.872 24.797 1.00 57.47 C ATOM 424 O LEU A 71 -5.602 -21.061 25.121 1.00 68.72 O ATOM 425 CB LEU A 71 -3.333 -19.142 25.591 1.00 55.92 C ATOM 426 CG LEU A 71 -2.398 -18.109 26.205 1.00 55.06 C ATOM 427 CD1 LEU A 71 -0.983 -18.629 26.163 1.00 54.57 C ATOM 428 CD2 LEU A 71 -2.503 -16.818 25.457 1.00 54.15 C ATOM 429 H LEU A 71 -4.770 -19.477 27.710 1.00 0.00 H ATOM 430 N TRP A 72 -6.167 -19.404 23.707 1.00 57.16 N ATOM 431 CA TRP A 72 -6.968 -20.222 22.800 1.00 57.87 C ATOM 432 C TRP A 72 -6.251 -20.304 21.452 1.00 78.07 C ATOM 433 O TRP A 72 -6.448 -19.457 20.578 1.00 81.41 O ATOM 434 CB TRP A 72 -8.350 -19.630 22.645 1.00 58.57 C ATOM 435 CG TRP A 72 -9.213 -19.846 23.814 1.00 62.57 C ATOM 436 CD1 TRP A 72 -9.001 -19.402 25.088 1.00 67.18 C ATOM 437 CD2 TRP A 72 -10.442 -20.569 23.836 1.00 68.64 C ATOM 438 NE1 TRP A 72 -10.028 -19.808 25.903 1.00 70.54 N ATOM 439 CE2 TRP A 72 -10.926 -20.527 25.157 1.00 71.54 C ATOM 440 CE3 TRP A 72 -11.182 -21.252 22.866 1.00 62.16 C ATOM 441 CZ2 TRP A 72 -12.120 -21.140 25.531 1.00 79.07 C ATOM 442 CZ3 TRP A 72 -12.367 -21.862 23.241 1.00 63.90 C ATOM 443 CH2 TRP A 72 -12.824 -21.802 24.562 1.00 65.02 C ATOM 444 HE1 TRP A 72 -10.111 -19.604 26.919 1.00 0.00 H ATOM 445 H TRP A 72 -6.054 -18.394 23.484 1.00 0.00 H ATOM 446 N ASP A 73 -5.433 -21.344 21.274 1.00 76.32 N ATOM 447 CA ASP A 73 -4.664 -21.518 20.043 1.00 74.95 C ATOM 448 C ASP A 73 -5.545 -22.094 18.939 1.00 64.14 C ATOM 449 O ASP A 73 -6.040 -23.220 19.055 1.00 67.60 O ATOM 450 CB ASP A 73 -3.461 -22.425 20.290 1.00 81.57 C ATOM 451 CG ASP A 73 -2.924 -23.042 19.015 1.00 86.24 C ATOM 452 OD1 ASP A 73 -2.701 -22.308 18.031 1.00 83.23 O ATOM 453 OD2 ASP A 73 -2.730 -24.272 18.988 1.00 93.07 O ATOM 454 H ASP A 73 -5.340 -22.050 22.032 1.00 0.00 H ATOM 455 N VAL A 74 -5.709 -21.336 17.858 1.00 58.37 N ATOM 456 CA VAL A 74 -6.580 -21.693 16.744 1.00 56.87 C ATOM 457 C VAL A 74 -5.740 -22.205 15.584 1.00 71.05 C ATOM 458 O VAL A 74 -4.586 -21.802 15.403 1.00 73.50 O ATOM 459 CB VAL A 74 -7.430 -20.473 16.327 1.00 56.77 C ATOM 460 CG1 VAL A 74 -8.284 -20.776 15.105 1.00 57.46 C ATOM 461 CG2 VAL A 74 -8.291 -20.013 17.494 1.00 57.34 C ATOM 462 H VAL A 74 -5.187 -20.438 17.804 1.00 0.00 H ATOM 463 N GLY A 75 -6.316 -23.109 14.800 1.00 74.21 N ATOM 464 CA GLY A 75 -5.704 -23.576 13.560 1.00 77.54 C ATOM 465 C GLY A 75 -6.599 -23.280 12.371 1.00 87.47 C ATOM 466 O GLY A 75 -7.815 -23.477 12.437 1.00 86.23 O ATOM 467 H GLY A 75 -7.238 -23.499 15.080 1.00 0.00 H ATOM 468 N GLY A 76 -5.986 -22.833 11.275 1.00 99.31 N ATOM 469 CA GLY A 76 -6.749 -22.300 10.158 1.00101.68 C ATOM 470 C GLY A 76 -7.603 -23.340 9.453 1.00 98.47 C ATOM 471 O GLY A 76 -7.430 -24.551 9.595 1.00 99.02 O ATOM 472 H GLY A 76 -4.948 -22.866 11.218 1.00 0.00 H ATOM 473 N SER A 77 -8.554 -22.839 8.672 1.00 93.40 N ATOM 474 CA SER A 77 -9.389 -23.699 7.845 1.00 93.45 C ATOM 475 C SER A 77 -8.861 -23.678 6.416 1.00 92.17 C ATOM 476 O SER A 77 -8.208 -22.715 6.003 1.00 91.62 O ATOM 477 CB SER A 77 -10.856 -23.254 7.877 1.00 89.65 C ATOM 478 OG SER A 77 -11.226 -22.766 9.154 1.00 82.18 O ATOM 479 HG SER A 77 -12.176 -22.489 9.137 1.00 0.00 H ATOM 480 H SER A 77 -8.705 -21.810 8.651 1.00 0.00 H TER 481 SER A 77 ATOM 482 N TRP A 84 -16.413 -20.718 12.225 1.00 92.76 N ATOM 483 CA TRP A 84 -16.904 -21.004 13.568 1.00 92.59 C ATOM 484 C TRP A 84 -16.901 -19.734 14.414 1.00 91.59 C ATOM 485 O TRP A 84 -16.191 -19.655 15.413 1.00 82.81 O ATOM 486 CB TRP A 84 -16.054 -22.095 14.229 1.00 89.92 C ATOM 487 HN3 TRP A 84 -15.442 -20.350 12.283 1.00 0.00 H ATOM 488 HN2 TRP A 84 -17.027 -20.009 11.776 1.00 0.00 H ATOM 489 HN1 TRP A 84 -16.421 -21.592 11.661 1.00 0.00 H ATOM 490 N PRO A 85 -17.722 -18.741 14.034 1.00 95.78 N ATOM 491 CA PRO A 85 -17.677 -17.451 14.735 1.00 92.35 C ATOM 492 C PRO A 85 -18.333 -17.522 16.102 1.00 82.67 C ATOM 493 O PRO A 85 -18.586 -16.492 16.735 1.00 87.35 O ATOM 494 CB PRO A 85 -18.435 -16.515 13.788 1.00 99.88 C ATOM 495 CG PRO A 85 -19.443 -17.401 13.159 1.00101.38 C ATOM 496 CD PRO A 85 -18.803 -18.773 13.029 1.00101.59 C ATOM 497 N ALA A 86 -18.635 -18.734 16.552 1.00 71.09 N ATOM 498 CA ALA A 86 -19.102 -18.958 17.909 1.00 75.18 C ATOM 499 C ALA A 86 -17.963 -19.096 18.907 1.00 79.43 C ATOM 500 O ALA A 86 -18.217 -19.360 20.084 1.00 86.28 O ATOM 501 CB ALA A 86 -19.985 -20.208 17.962 1.00 74.84 C ATOM 502 H ALA A 86 -18.534 -19.548 15.913 1.00 0.00 H ATOM 503 N ILE A 87 -16.718 -18.923 18.471 1.00 80.51 N ATOM 504 CA ILE A 87 -15.575 -19.081 19.363 1.00 79.35 C ATOM 505 C ILE A 87 -15.136 -17.751 19.979 1.00 84.89 C ATOM 506 O ILE A 87 -14.408 -17.748 20.982 1.00 89.69 O ATOM 507 CB ILE A 87 -14.453 -19.801 18.585 1.00 76.33 C ATOM 508 CG1 ILE A 87 -14.659 -21.320 18.640 1.00 64.26 C ATOM 509 CG2 ILE A 87 -13.057 -19.422 19.071 1.00 62.71 C ATOM 510 CD1 ILE A 87 -15.726 -21.846 17.689 1.00 65.49 C ATOM 511 H ILE A 87 -16.557 -18.670 17.475 1.00 0.00 H ATOM 512 N ALA A 88 -15.613 -16.624 19.457 1.00 90.44 N ATOM 513 CA ALA A 88 -15.297 -15.313 20.006 1.00100.92 C ATOM 514 C ALA A 88 -16.216 -14.904 21.162 1.00106.36 C ATOM 515 O ALA A 88 -16.377 -13.702 21.415 1.00112.53 O ATOM 516 CB ALA A 88 -15.354 -14.257 18.903 1.00105.16 C ATOM 517 H ALA A 88 -16.235 -16.682 18.626 1.00 0.00 H ATOM 518 N SER A 89 -16.831 -15.867 21.847 1.00107.74 N ATOM 519 CA SER A 89 -17.766 -15.580 22.928 1.00 99.93 C ATOM 520 C SER A 89 -17.099 -14.759 24.017 1.00 99.02 C ATOM 521 O SER A 89 -16.174 -15.237 24.677 1.00 96.34 O ATOM 522 CB SER A 89 -18.281 -16.886 23.514 1.00 98.17 C ATOM 523 OG SER A 89 -17.557 -17.199 24.691 1.00 98.39 O ATOM 524 HG SER A 89 -17.675 -16.472 25.353 1.00 0.00 H ATOM 525 H SER A 89 -16.637 -16.859 21.602 1.00 0.00 H ATOM 526 N ASN A 90 -17.578 -13.526 24.204 1.00105.55 N ATOM 527 CA ASN A 90 -17.049 -12.586 25.194 1.00112.38 C ATOM 528 C ASN A 90 -15.527 -12.554 25.189 1.00111.62 C ATOM 529 O ASN A 90 -14.895 -12.476 26.248 1.00114.61 O ATOM 530 CB ASN A 90 -17.569 -12.919 26.596 1.00116.75 C ATOM 531 CG ASN A 90 -18.904 -12.258 26.891 1.00119.36 C ATOM 532 OD1 ASN A 90 -19.940 -12.676 26.370 1.00119.60 O ATOM 533 ND2 ASN A 90 -18.887 -11.226 27.731 1.00119.94 N ATOM 534 HD22 ASN A 90 -17.988 -10.908 28.146 1.00 0.00 H ATOM 535 HD21 ASN A 90 -19.773 -10.737 27.972 1.00 0.00 H ATOM 536 H ASN A 90 -18.374 -13.215 23.611 1.00 0.00 H ATOM 537 N ALA A 91 -14.935 -12.641 24.003 1.00103.23 N ATOM 538 CA ALA A 91 -13.488 -12.620 23.899 1.00 92.55 C ATOM 539 C ALA A 91 -12.953 -11.253 24.299 1.00 86.66 C ATOM 540 O ALA A 91 -13.588 -10.218 24.076 1.00 90.91 O ATOM 541 CB ALA A 91 -13.050 -12.967 22.482 1.00 88.50 C ATOM 542 H ALA A 91 -15.513 -12.725 23.143 1.00 0.00 H ATOM 543 N ASP A 92 -11.767 -11.259 24.897 1.00 88.65 N ATOM 544 CA ASP A 92 -11.216 -10.062 25.508 1.00 91.64 C ATOM 545 C ASP A 92 -9.966 -9.529 24.820 1.00 98.46 C ATOM 546 O ASP A 92 -9.753 -8.315 24.824 1.00 97.07 O ATOM 547 CB ASP A 92 -10.902 -10.332 26.985 1.00 90.68 C ATOM 548 CG ASP A 92 -12.150 -10.426 27.846 1.00 91.03 C ATOM 549 OD1 ASP A 92 -13.265 -10.308 27.299 1.00 91.13 O ATOM 550 OD2 ASP A 92 -12.013 -10.607 29.076 1.00 95.69 O ATOM 551 H ASP A 92 -11.219 -12.143 24.929 1.00 0.00 H ATOM 552 N GLY A 93 -9.133 -10.397 24.243 1.00101.13 N ATOM 553 CA GLY A 93 -7.923 -9.962 23.564 1.00102.30 C ATOM 554 C GLY A 93 -7.457 -10.987 22.554 1.00102.32 C ATOM 555 O GLY A 93 -7.884 -12.145 22.578 1.00111.81 O ATOM 556 H GLY A 93 -9.355 -11.412 24.280 1.00 0.00 H ATOM 557 N ILE A 94 -6.571 -10.551 21.656 1.00 86.18 N ATOM 558 CA ILE A 94 -6.109 -11.375 20.539 1.00 72.67 C ATOM 559 C ILE A 94 -4.607 -11.200 20.361 1.00 65.61 C ATOM 560 O ILE A 94 -4.070 -10.105 20.554 1.00 61.39 O ATOM 561 CB ILE A 94 -6.834 -11.012 19.230 1.00 53.90 C ATOM 562 CG1 ILE A 94 -8.343 -11.139 19.393 1.00 61.19 C ATOM 563 CG2 ILE A 94 -6.348 -11.875 18.081 1.00 53.55 C ATOM 564 CD1 ILE A 94 -9.098 -10.892 18.116 1.00 65.02 C ATOM 565 H ILE A 94 -6.194 -9.587 21.754 1.00 0.00 H ATOM 566 N ILE A 95 -3.929 -12.278 19.971 1.00 55.75 N ATOM 567 CA ILE A 95 -2.507 -12.252 19.651 1.00 54.56 C ATOM 568 C ILE A 95 -2.339 -12.868 18.269 1.00 66.47 C ATOM 569 O ILE A 95 -2.620 -14.058 18.082 1.00 76.16 O ATOM 570 CB ILE A 95 -1.670 -13.005 20.689 1.00 51.12 C ATOM 571 CG1 ILE A 95 -1.622 -12.211 21.991 1.00 56.97 C ATOM 572 CG2 ILE A 95 -0.270 -13.260 20.172 1.00 50.46 C ATOM 573 CD1 ILE A 95 -0.959 -12.949 23.132 1.00 63.56 C ATOM 574 H ILE A 95 -4.438 -13.181 19.891 1.00 0.00 H ATOM 575 N TYR A 96 -1.899 -12.066 17.301 1.00 50.91 N ATOM 576 CA TYR A 96 -1.666 -12.541 15.943 1.00 50.94 C ATOM 577 C TYR A 96 -0.208 -12.951 15.767 1.00 53.92 C ATOM 578 O TYR A 96 0.696 -12.299 16.292 1.00 49.93 O ATOM 579 CB TYR A 96 -2.003 -11.460 14.918 1.00 51.13 C ATOM 580 CG TYR A 96 -3.425 -10.934 14.892 1.00 51.83 C ATOM 581 CD1 TYR A 96 -3.772 -9.783 15.585 1.00 51.94 C ATOM 582 CD2 TYR A 96 -4.400 -11.539 14.110 1.00 52.51 C ATOM 583 CE1 TYR A 96 -5.058 -9.274 15.532 1.00 52.74 C ATOM 584 CE2 TYR A 96 -5.685 -11.036 14.053 1.00 56.81 C ATOM 585 CZ TYR A 96 -6.008 -9.906 14.768 1.00 57.14 C ATOM 586 OH TYR A 96 -7.286 -9.402 14.714 1.00 66.45 O ATOM 587 HH TYR A 96 -7.345 -8.593 15.282 1.00 0.00 H ATOM 588 H TYR A 96 -1.715 -11.066 17.522 1.00 0.00 H ATOM 589 N VAL A 97 0.022 -14.025 15.010 1.00 58.49 N ATOM 590 CA VAL A 97 1.369 -14.518 14.727 1.00 55.91 C ATOM 591 C VAL A 97 1.503 -14.803 13.231 1.00 60.45 C ATOM 592 O VAL A 97 0.615 -15.414 12.627 1.00 56.25 O ATOM 593 CB VAL A 97 1.706 -15.778 15.548 1.00 50.37 C ATOM 594 CG1 VAL A 97 3.199 -16.002 15.569 1.00 50.07 C ATOM 595 CG2 VAL A 97 1.192 -15.649 16.960 1.00 50.40 C ATOM 596 H VAL A 97 -0.790 -14.532 14.604 1.00 0.00 H ATOM 597 N PHE A 98 2.617 -14.366 12.637 1.00 58.71 N ATOM 598 CA PHE A 98 2.892 -14.625 11.231 1.00 55.12 C ATOM 599 C PHE A 98 4.394 -14.730 11.022 1.00 54.59 C ATOM 600 O PHE A 98 5.183 -14.142 11.764 1.00 55.06 O ATOM 601 CB PHE A 98 2.296 -13.535 10.325 1.00 60.42 C ATOM 602 CG PHE A 98 3.072 -12.240 10.319 1.00 56.59 C ATOM 603 CD1 PHE A 98 3.017 -11.376 11.393 1.00 50.36 C ATOM 604 CD2 PHE A 98 3.842 -11.884 9.225 1.00 55.71 C ATOM 605 CE1 PHE A 98 3.725 -10.190 11.376 1.00 50.27 C ATOM 606 CE2 PHE A 98 4.551 -10.697 9.204 1.00 51.07 C ATOM 607 CZ PHE A 98 4.489 -9.850 10.275 1.00 50.65 C ATOM 608 H PHE A 98 3.308 -13.825 13.195 1.00 0.00 H ATOM 609 N ASN A 99 4.782 -15.491 10.013 1.00 51.94 N ATOM 610 CA ASN A 99 6.185 -15.565 9.648 1.00 51.54 C ATOM 611 C ASN A 99 6.512 -14.386 8.749 1.00 56.41 C ATOM 612 O ASN A 99 5.880 -14.233 7.694 1.00 55.73 O ATOM 613 CB ASN A 99 6.499 -16.871 8.936 1.00 59.16 C ATOM 614 CG ASN A 99 7.905 -17.369 9.225 1.00 66.03 C ATOM 615 OD1 ASN A 99 8.869 -16.599 9.215 1.00 61.85 O ATOM 616 ND2 ASN A 99 8.026 -18.664 9.497 1.00 70.82 N ATOM 617 HD22 ASN A 99 7.186 -19.277 9.494 1.00 0.00 H ATOM 618 HD21 ASN A 99 8.961 -19.065 9.713 1.00 0.00 H ATOM 619 H ASN A 99 4.079 -16.039 9.478 1.00 0.00 H ATOM 620 N PRO A 100 7.470 -13.532 9.118 1.00 51.11 N ATOM 621 CA PRO A 100 7.801 -12.412 8.240 1.00 51.50 C ATOM 622 C PRO A 100 8.483 -12.867 6.969 1.00 60.47 C ATOM 623 O PRO A 100 8.230 -12.294 5.904 1.00 62.96 O ATOM 624 CB PRO A 100 8.719 -11.547 9.109 1.00 51.14 C ATOM 625 CG PRO A 100 9.334 -12.493 10.063 1.00 50.78 C ATOM 626 CD PRO A 100 8.459 -13.698 10.192 1.00 50.72 C ATOM 627 N GLU A 101 9.310 -13.911 7.039 1.00 60.72 N ATOM 628 CA GLU A 101 9.984 -14.409 5.848 1.00 55.40 C ATOM 629 C GLU A 101 9.010 -14.891 4.789 1.00 59.32 C ATOM 630 O GLU A 101 9.398 -14.995 3.623 1.00 68.78 O ATOM 631 CB GLU A 101 10.932 -15.550 6.219 1.00 53.45 C ATOM 632 CG GLU A 101 11.989 -15.174 7.232 1.00 53.10 C ATOM 633 CD GLU A 101 12.996 -14.216 6.664 1.00 60.03 C ATOM 634 OE1 GLU A 101 13.282 -14.300 5.451 1.00 56.71 O ATOM 635 OE2 GLU A 101 13.502 -13.364 7.422 1.00 59.91 O ATOM 636 H GLU A 101 9.476 -14.375 7.955 1.00 0.00 H ATOM 637 N VAL A 102 7.756 -15.152 5.154 1.00 58.72 N ATOM 638 CA VAL A 102 6.760 -15.752 4.269 1.00 64.21 C ATOM 639 C VAL A 102 5.802 -14.668 3.787 1.00 74.32 C ATOM 640 O VAL A 102 5.389 -13.800 4.566 1.00 85.30 O ATOM 641 CB VAL A 102 5.998 -16.886 4.987 1.00 64.52 C ATOM 642 CG1 VAL A 102 4.828 -17.394 4.144 1.00 62.15 C ATOM 643 CG2 VAL A 102 6.950 -18.019 5.337 1.00 68.63 C ATOM 644 H VAL A 102 7.469 -14.915 6.125 1.00 0.00 H ATOM 645 N LYS A 103 5.441 -14.724 2.506 1.00 78.42 N ATOM 646 CA LYS A 103 4.614 -13.693 1.897 1.00 75.83 C ATOM 647 C LYS A 103 3.133 -14.004 2.006 1.00 76.03 C ATOM 648 O LYS A 103 2.720 -15.166 2.019 1.00 77.71 O ATOM 649 CB LYS A 103 4.959 -13.528 0.431 1.00 74.90 C ATOM 650 CG LYS A 103 6.206 -14.201 0.016 1.00 69.74 C ATOM 651 CD LYS A 103 6.302 -13.979 -1.438 1.00 61.88 C ATOM 652 CE LYS A 103 7.411 -14.727 -2.067 1.00 67.15 C ATOM 653 NZ LYS A 103 7.521 -14.065 -3.377 1.00 67.26 N ATOM 654 HZ1 LYS A 103 6.621 -14.161 -3.889 1.00 0.00 H ATOM 655 HZ2 LYS A 103 7.736 -13.057 -3.238 1.00 0.00 H ATOM 656 HZ3 LYS A 103 8.284 -14.510 -3.926 1.00 0.00 H ATOM 657 H LYS A 103 5.759 -15.526 1.925 1.00 0.00 H ATOM 658 N GLY A 104 2.332 -12.940 1.999 1.00 71.54 N ATOM 659 CA GLY A 104 0.935 -13.032 2.334 1.00 74.37 C ATOM 660 C GLY A 104 0.668 -13.208 3.804 1.00 80.98 C ATOM 661 O GLY A 104 -0.489 -13.081 4.225 1.00 90.81 O ATOM 662 H GLY A 104 2.728 -12.013 1.743 1.00 0.00 H ATOM 663 N SER A 105 1.700 -13.490 4.602 1.00 75.66 N ATOM 664 CA SER A 105 1.521 -13.620 6.040 1.00 76.98 C ATOM 665 C SER A 105 0.994 -12.323 6.633 1.00 80.83 C ATOM 666 O SER A 105 0.043 -12.329 7.422 1.00 86.64 O ATOM 667 CB SER A 105 2.847 -14.016 6.690 1.00 77.41 C ATOM 668 OG SER A 105 3.837 -13.024 6.453 1.00 67.88 O ATOM 669 HG SER A 105 4.686 -13.298 6.881 1.00 0.00 H ATOM 670 H SER A 105 2.646 -13.619 4.190 1.00 0.00 H ATOM 671 N GLU A 106 1.601 -11.194 6.252 1.00 75.73 N ATOM 672 CA GLU A 106 1.116 -9.888 6.689 1.00 66.66 C ATOM 673 C GLU A 106 -0.317 -9.649 6.241 1.00 61.74 C ATOM 674 O GLU A 106 -1.049 -8.874 6.868 1.00 66.97 O ATOM 675 CB GLU A 106 2.017 -8.778 6.144 1.00 62.09 C ATOM 676 CG GLU A 106 3.495 -8.955 6.433 1.00 64.85 C ATOM 677 CD GLU A 106 4.138 -10.020 5.574 1.00 65.79 C ATOM 678 OE1 GLU A 106 5.123 -10.635 6.030 1.00 65.66 O ATOM 679 OE2 GLU A 106 3.653 -10.251 4.448 1.00 67.42 O ATOM 680 H GLU A 106 2.435 -11.247 5.632 1.00 0.00 H ATOM 681 N LYS A 107 -0.731 -10.305 5.166 1.00 57.76 N ATOM 682 CA LYS A 107 -2.009 -10.037 4.533 1.00 59.26 C ATOM 683 C LYS A 107 -3.065 -11.087 4.848 1.00 61.67 C ATOM 684 O LYS A 107 -4.259 -10.771 4.838 1.00 66.10 O ATOM 685 CB LYS A 107 -1.791 -9.916 3.022 1.00 65.37 C ATOM 686 CG LYS A 107 -0.364 -9.446 2.697 1.00 67.90 C ATOM 687 CD LYS A 107 -0.109 -9.346 1.209 1.00 79.33 C ATOM 688 CE LYS A 107 -0.637 -8.041 0.631 1.00 86.52 C ATOM 689 NZ LYS A 107 -0.816 -8.129 -0.849 1.00 88.80 N ATOM 690 HZ1 LYS A 107 0.099 -8.341 -1.296 1.00 0.00 H ATOM 691 HZ2 LYS A 107 -1.494 -8.886 -1.071 1.00 0.00 H ATOM 692 HZ3 LYS A 107 -1.177 -7.222 -1.208 1.00 0.00 H ATOM 693 H LYS A 107 -0.116 -11.040 4.761 1.00 0.00 H ATOM 694 N GLU A 108 -2.663 -12.320 5.156 1.00 54.90 N ATOM 695 CA GLU A 108 -3.633 -13.300 5.624 1.00 55.03 C ATOM 696 C GLU A 108 -4.298 -12.838 6.915 1.00 61.07 C ATOM 697 O GLU A 108 -5.503 -13.037 7.105 1.00 72.05 O ATOM 698 CB GLU A 108 -2.954 -14.654 5.829 1.00 54.67 C ATOM 699 CG GLU A 108 -3.857 -15.863 5.533 1.00 75.47 C ATOM 700 CD GLU A 108 -4.546 -16.432 6.772 1.00 77.87 C ATOM 701 OE1 GLU A 108 -3.859 -16.723 7.774 1.00 75.94 O ATOM 702 OE2 GLU A 108 -5.783 -16.599 6.741 1.00 83.89 O ATOM 703 H GLU A 108 -1.661 -12.581 5.062 1.00 0.00 H ATOM 704 N LEU A 109 -3.535 -12.189 7.800 1.00 57.13 N ATOM 705 CA LEU A 109 -4.031 -11.794 9.113 1.00 64.30 C ATOM 706 C LEU A 109 -5.260 -10.909 9.034 1.00 73.42 C ATOM 707 O LEU A 109 -5.976 -10.776 10.034 1.00 81.25 O ATOM 708 CB LEU A 109 -2.942 -11.054 9.896 1.00 67.09 C ATOM 709 CG LEU A 109 -1.601 -11.733 10.168 1.00 66.75 C ATOM 710 CD1 LEU A 109 -0.506 -10.685 10.294 1.00 63.26 C ATOM 711 CD2 LEU A 109 -1.694 -12.544 11.429 1.00 64.88 C ATOM 712 H LEU A 109 -2.554 -11.958 7.543 1.00 0.00 H ATOM 713 N LEU A 110 -5.522 -10.301 7.881 1.00 72.92 N ATOM 714 CA LEU A 110 -6.715 -9.483 7.737 1.00 76.53 C ATOM 715 C LEU A 110 -7.974 -10.331 7.670 1.00 77.91 C ATOM 716 O LEU A 110 -9.048 -9.856 8.052 1.00 79.59 O ATOM 717 CB LEU A 110 -6.603 -8.593 6.497 1.00 74.60 C ATOM 718 CG LEU A 110 -5.605 -7.440 6.639 1.00 84.05 C ATOM 719 CD1 LEU A 110 -4.176 -7.930 6.487 1.00 88.58 C ATOM 720 CD2 LEU A 110 -5.893 -6.332 5.641 1.00 84.30 C ATOM 721 H LEU A 110 -4.870 -10.411 7.078 1.00 0.00 H ATOM 722 N LEU A 111 -7.860 -11.578 7.210 1.00 69.66 N ATOM 723 CA LEU A 111 -8.978 -12.503 7.323 1.00 68.43 C ATOM 724 C LEU A 111 -9.217 -12.881 8.778 1.00 70.26 C ATOM 725 O LEU A 111 -10.364 -12.912 9.238 1.00 76.01 O ATOM 726 CB LEU A 111 -8.712 -13.732 6.460 1.00 70.75 C ATOM 727 CG LEU A 111 -8.375 -13.339 5.019 1.00 77.05 C ATOM 728 CD1 LEU A 111 -7.598 -14.433 4.304 1.00 81.26 C ATOM 729 CD2 LEU A 111 -9.646 -12.991 4.259 1.00 76.96 C ATOM 730 H LEU A 111 -6.971 -11.890 6.770 1.00 0.00 H ATOM 731 N TRP A 112 -8.144 -13.153 9.526 1.00 64.50 N ATOM 732 CA TRP A 112 -8.279 -13.296 10.968 1.00 57.08 C ATOM 733 C TRP A 112 -8.850 -12.026 11.575 1.00 58.19 C ATOM 734 O TRP A 112 -9.783 -12.073 12.381 1.00 74.47 O ATOM 735 CB TRP A 112 -6.930 -13.629 11.595 1.00 54.69 C ATOM 736 CG TRP A 112 -6.309 -14.828 11.009 1.00 55.80 C ATOM 737 CD1 TRP A 112 -5.294 -14.862 10.109 1.00 58.90 C ATOM 738 CD2 TRP A 112 -6.664 -16.190 11.269 1.00 59.95 C ATOM 739 NE1 TRP A 112 -4.990 -16.163 9.788 1.00 58.95 N ATOM 740 CE2 TRP A 112 -5.819 -16.998 10.488 1.00 59.68 C ATOM 741 CE3 TRP A 112 -7.615 -16.805 12.086 1.00 59.01 C ATOM 742 CZ2 TRP A 112 -5.893 -18.392 10.506 1.00 60.17 C ATOM 743 CZ3 TRP A 112 -7.685 -18.190 12.102 1.00 56.06 C ATOM 744 CH2 TRP A 112 -6.829 -18.965 11.319 1.00 55.85 C ATOM 745 HE1 TRP A 112 -4.251 -16.464 9.122 1.00 0.00 H ATOM 746 H TRP A 112 -7.212 -13.263 9.078 1.00 0.00 H ATOM 747 N TYR A 113 -8.303 -10.876 11.191 1.00 55.72 N ATOM 748 CA TYR A 113 -8.891 -9.609 11.605 1.00 58.44 C ATOM 749 C TYR A 113 -10.365 -9.541 11.220 1.00 67.78 C ATOM 750 O TYR A 113 -11.212 -9.138 12.025 1.00 67.40 O ATOM 751 CB TYR A 113 -8.112 -8.454 10.979 1.00 57.37 C ATOM 752 CG TYR A 113 -8.738 -7.091 11.176 1.00 63.73 C ATOM 753 CD1 TYR A 113 -9.516 -6.512 10.182 1.00 73.17 C ATOM 754 CD2 TYR A 113 -8.533 -6.374 12.344 1.00 59.33 C ATOM 755 CE1 TYR A 113 -10.089 -5.260 10.353 1.00 75.74 C ATOM 756 CE2 TYR A 113 -9.100 -5.123 12.527 1.00 66.74 C ATOM 757 CZ TYR A 113 -9.879 -4.568 11.529 1.00 76.75 C ATOM 758 OH TYR A 113 -10.447 -3.320 11.707 1.00 78.37 O ATOM 759 HH TYR A 113 -10.968 -3.078 10.901 1.00 0.00 H ATOM 760 H TYR A 113 -7.452 -10.881 10.593 1.00 0.00 H ATOM 761 N LYS A 114 -10.694 -9.956 9.998 1.00 67.73 N ATOM 762 CA LYS A 114 -12.077 -9.876 9.546 1.00 70.71 C ATOM 763 C LYS A 114 -12.945 -10.900 10.260 1.00 69.72 C ATOM 764 O LYS A 114 -13.963 -10.554 10.868 1.00 80.16 O ATOM 765 CB LYS A 114 -12.152 -10.072 8.030 1.00 76.09 C ATOM 766 H LYS A 114 -9.962 -10.338 9.365 1.00 0.00 H ATOM 767 N ASN A 115 -12.552 -12.173 10.203 1.00 68.67 N ATOM 768 CA ASN A 115 -13.427 -13.233 10.689 1.00 66.74 C ATOM 769 C ASN A 115 -13.760 -13.074 12.164 1.00 74.79 C ATOM 770 O ASN A 115 -14.776 -13.601 12.624 1.00 83.75 O ATOM 771 CB ASN A 115 -12.788 -14.597 10.451 1.00 64.92 C ATOM 772 CG ASN A 115 -12.676 -14.934 8.989 1.00 66.26 C ATOM 773 OD1 ASN A 115 -13.607 -14.710 8.217 1.00 61.13 O ATOM 774 ND2 ASN A 115 -11.530 -15.476 8.595 1.00 70.26 N ATOM 775 HD22 ASN A 115 -10.771 -15.647 9.285 1.00 0.00 H ATOM 776 HD21 ASN A 115 -11.391 -15.730 7.596 1.00 0.00 H ATOM 777 H ASN A 115 -11.619 -12.410 9.811 1.00 0.00 H ATOM 778 N PHE A 116 -12.945 -12.349 12.918 1.00 75.11 N ATOM 779 CA PHE A 116 -13.075 -12.397 14.371 1.00 84.79 C ATOM 780 C PHE A 116 -13.282 -11.046 15.038 1.00 86.74 C ATOM 781 O PHE A 116 -14.096 -10.953 15.963 1.00 91.13 O ATOM 782 CB PHE A 116 -11.846 -13.100 14.969 1.00 81.43 C ATOM 783 CG PHE A 116 -11.647 -14.493 14.439 1.00 81.34 C ATOM 784 CD1 PHE A 116 -12.221 -15.574 15.078 1.00 82.10 C ATOM 785 CD2 PHE A 116 -10.921 -14.716 13.279 1.00 82.65 C ATOM 786 CE1 PHE A 116 -12.059 -16.853 14.582 1.00 82.01 C ATOM 787 CE2 PHE A 116 -10.757 -15.990 12.776 1.00 80.34 C ATOM 788 CZ PHE A 116 -11.324 -17.059 13.426 1.00 82.68 C ATOM 789 H PHE A 116 -12.218 -11.750 12.477 1.00 0.00 H ATOM 790 N ALA A 117 -12.591 -9.995 14.602 1.00 78.24 N ATOM 791 CA ALA A 117 -12.706 -8.696 15.264 1.00 61.76 C ATOM 792 C ALA A 117 -13.319 -7.651 14.343 1.00 68.50 C ATOM 793 O ALA A 117 -14.516 -7.681 14.063 1.00 75.43 O ATOM 794 CB ALA A 117 -11.354 -8.238 15.753 1.00 57.77 C ATOM 795 H ALA A 117 -11.962 -10.099 13.781 1.00 0.00 H TER 796 ALA A 117 ATOM 797 N MET A 131 -18.905 -7.024 13.257 1.00 97.18 N ATOM 798 CA MET A 131 -19.060 -7.461 14.639 1.00 98.09 C ATOM 799 C MET A 131 -18.221 -6.611 15.602 1.00 99.97 C ATOM 800 O MET A 131 -18.760 -6.030 16.545 1.00108.71 O ATOM 801 CB MET A 131 -18.684 -8.937 14.771 1.00 97.57 C ATOM 802 HN3 MET A 131 -17.906 -7.104 12.979 1.00 0.00 H ATOM 803 HN2 MET A 131 -19.211 -6.034 13.171 1.00 0.00 H ATOM 804 HN1 MET A 131 -19.488 -7.623 12.638 1.00 0.00 H ATOM 805 N ARG A 132 -16.905 -6.547 15.357 1.00 91.61 N ATOM 806 CA ARG A 132 -15.957 -5.779 16.181 1.00 80.76 C ATOM 807 C ARG A 132 -15.845 -6.344 17.603 1.00 74.04 C ATOM 808 O ARG A 132 -16.000 -5.635 18.596 1.00 65.64 O ATOM 809 CB ARG A 132 -16.321 -4.293 16.213 1.00 63.98 C ATOM 810 CG ARG A 132 -15.263 -3.441 16.870 1.00 62.98 C ATOM 811 CD ARG A 132 -13.889 -3.838 16.395 1.00 64.09 C ATOM 812 NE ARG A 132 -13.465 -2.970 15.314 1.00 63.66 N ATOM 813 CZ ARG A 132 -12.533 -2.041 15.445 1.00 71.53 C ATOM 814 NH1 ARG A 132 -11.936 -1.878 16.610 1.00 77.62 N ATOM 815 NH2 ARG A 132 -12.209 -1.272 14.417 1.00 81.21 N ATOM 816 HE ARG A 132 -13.918 -3.084 14.385 1.00 0.00 H ATOM 817 HH12 ARG A 132 -11.202 -1.150 16.721 1.00 0.00 H ATOM 818 HH11 ARG A 132 -12.199 -2.478 17.418 1.00 0.00 H ATOM 819 HH22 ARG A 132 -11.476 -0.543 14.524 1.00 0.00 H ATOM 820 HH21 ARG A 132 -12.688 -1.397 13.502 1.00 0.00 H ATOM 821 H ARG A 132 -16.532 -7.069 14.539 1.00 0.00 H ATOM 822 N VAL A 133 -15.551 -7.639 17.692 1.00 74.84 N ATOM 823 CA VAL A 133 -15.537 -8.311 18.987 1.00 62.29 C ATOM 824 C VAL A 133 -14.412 -7.780 19.860 1.00 65.66 C ATOM 825 O VAL A 133 -14.580 -7.603 21.070 1.00 72.67 O ATOM 826 CB VAL A 133 -15.428 -9.833 18.790 1.00 62.06 C ATOM 827 CG1 VAL A 133 -15.555 -10.556 20.116 1.00 65.64 C ATOM 828 CG2 VAL A 133 -16.488 -10.316 17.815 1.00 63.21 C ATOM 829 H VAL A 133 -15.329 -8.177 16.830 1.00 0.00 H ATOM 830 N THR A 134 -13.254 -7.513 19.272 1.00 59.82 N ATOM 831 CA THR A 134 -12.064 -7.180 20.041 1.00 59.52 C ATOM 832 C THR A 134 -11.502 -5.845 19.592 1.00 60.50 C ATOM 833 O THR A 134 -11.470 -5.544 18.394 1.00 66.13 O ATOM 834 CB THR A 134 -10.998 -8.250 19.895 1.00 60.07 C ATOM 835 OG1 THR A 134 -11.587 -9.527 20.152 1.00 62.34 O ATOM 836 CG2 THR A 134 -9.860 -8.004 20.872 1.00 61.24 C ATOM 837 HG1 THR A 134 -10.898 -10.232 20.059 1.00 0.00 H ATOM 838 H THR A 134 -13.194 -7.542 18.234 1.00 0.00 H ATOM 839 N ASP A 135 -11.039 -5.059 20.561 1.00 63.05 N ATOM 840 CA ASP A 135 -10.662 -3.670 20.317 1.00 70.01 C ATOM 841 C ASP A 135 -9.340 -3.374 21.003 1.00 68.99 C ATOM 842 O ASP A 135 -9.296 -3.242 22.229 1.00 63.96 O ATOM 843 CB ASP A 135 -11.743 -2.716 20.825 1.00 71.22 C ATOM 844 H ASP A 135 -10.943 -5.446 21.521 1.00 0.00 H ATOM 845 N GLY A 136 -8.268 -3.282 20.220 1.00 70.87 N ATOM 846 CA GLY A 136 -7.057 -2.635 20.686 1.00 81.50 C ATOM 847 C GLY A 136 -6.227 -3.451 21.653 1.00 87.97 C ATOM 848 O GLY A 136 -4.996 -3.348 21.646 1.00 91.89 O ATOM 849 H GLY A 136 -8.299 -3.680 19.260 1.00 0.00 H ATOM 850 N HIS A 137 -6.878 -4.281 22.473 1.00 85.91 N ATOM 851 CA HIS A 137 -6.162 -5.130 23.418 1.00 77.12 C ATOM 852 C HIS A 137 -5.553 -6.307 22.666 1.00 68.41 C ATOM 853 O HIS A 137 -5.786 -7.466 23.020 1.00 63.65 O ATOM 854 CB HIS A 137 -7.092 -5.643 24.526 1.00 83.02 C ATOM 855 CG HIS A 137 -7.678 -4.572 25.400 1.00 84.55 C ATOM 856 ND1 HIS A 137 -8.628 -3.678 24.954 1.00 85.70 N ATOM 857 CD2 HIS A 137 -7.478 -4.284 26.708 1.00 85.32 C ATOM 858 CE1 HIS A 137 -8.970 -2.870 25.942 1.00 85.33 C ATOM 859 NE2 HIS A 137 -8.287 -3.217 27.018 1.00 86.98 N ATOM 860 H HIS A 137 -7.917 -4.322 22.437 1.00 0.00 H ATOM 861 N SER A 138 -4.765 -6.019 21.635 1.00 67.81 N ATOM 862 CA SER A 138 -4.266 -7.036 20.727 1.00 66.79 C ATOM 863 C SER A 138 -2.754 -6.912 20.587 1.00 68.27 C ATOM 864 O SER A 138 -2.148 -5.915 20.992 1.00 59.15 O ATOM 865 CB SER A 138 -4.948 -6.919 19.357 1.00 63.73 C ATOM 866 OG SER A 138 -6.359 -6.902 19.495 1.00 65.07 O ATOM 867 HG SER A 138 -6.776 -6.826 18.600 1.00 0.00 H ATOM 868 H SER A 138 -4.496 -5.028 21.473 1.00 0.00 H ATOM 869 N LEU A 139 -2.151 -7.948 19.995 1.00 69.86 N ATOM 870 CA LEU A 139 -0.721 -8.000 19.720 1.00 58.58 C ATOM 871 C LEU A 139 -0.490 -8.630 18.356 1.00 67.28 C ATOM 872 O LEU A 139 -1.326 -9.384 17.856 1.00 81.61 O ATOM 873 CB LEU A 139 0.022 -8.808 20.776 1.00 49.88 C ATOM 874 CG LEU A 139 0.041 -8.140 22.134 1.00 49.98 C ATOM 875 CD1 LEU A 139 0.604 -9.087 23.160 1.00 49.90 C ATOM 876 CD2 LEU A 139 0.873 -6.889 22.035 1.00 49.66 C ATOM 877 H LEU A 139 -2.735 -8.762 19.715 1.00 0.00 H ATOM 878 N ILE A 140 0.662 -8.322 17.757 1.00 49.68 N ATOM 879 CA ILE A 140 1.063 -8.900 16.475 1.00 59.05 C ATOM 880 C ILE A 140 2.538 -9.264 16.560 1.00 69.61 C ATOM 881 O ILE A 140 3.352 -8.455 17.014 1.00 75.16 O ATOM 882 CB ILE A 140 0.797 -7.939 15.298 1.00 50.04 C ATOM 883 CG1 ILE A 140 -0.698 -7.666 15.171 1.00 50.67 C ATOM 884 CG2 ILE A 140 1.314 -8.524 13.988 1.00 50.12 C ATOM 885 CD1 ILE A 140 -1.026 -6.435 14.402 1.00 51.19 C ATOM 886 H ILE A 140 1.300 -7.644 18.220 1.00 0.00 H ATOM 887 N PHE A 141 2.885 -10.485 16.139 1.00 81.16 N ATOM 888 CA PHE A 141 4.236 -11.022 16.294 1.00 80.50 C ATOM 889 C PHE A 141 4.858 -11.307 14.934 1.00 85.20 C ATOM 890 O PHE A 141 4.374 -12.170 14.194 1.00 97.43 O ATOM 891 CB PHE A 141 4.226 -12.301 17.132 1.00 79.87 C ATOM 892 CG PHE A 141 3.844 -12.085 18.570 1.00 84.25 C ATOM 893 CD1 PHE A 141 3.771 -10.808 19.110 1.00 84.94 C ATOM 894 CD2 PHE A 141 3.556 -13.165 19.385 1.00 84.08 C ATOM 895 CE1 PHE A 141 3.412 -10.614 20.438 1.00 83.36 C ATOM 896 CE2 PHE A 141 3.204 -12.980 20.710 1.00 83.08 C ATOM 897 CZ PHE A 141 3.133 -11.702 21.238 1.00 81.93 C ATOM 898 H PHE A 141 2.163 -11.078 15.682 1.00 0.00 H ATOM 899 N SER A 142 5.932 -10.593 14.611 1.00 77.59 N ATOM 900 CA SER A 142 6.801 -10.973 13.501 1.00 64.34 C ATOM 901 C SER A 142 7.727 -12.046 14.052 1.00 69.66 C ATOM 902 O SER A 142 8.680 -11.745 14.774 1.00 64.96 O ATOM 903 CB SER A 142 7.563 -9.765 12.975 1.00 55.00 C ATOM 904 OG SER A 142 8.452 -10.141 11.949 1.00 57.76 O ATOM 905 HG SER A 142 8.935 -9.341 11.623 1.00 0.00 H ATOM 906 H SER A 142 6.159 -9.742 15.163 1.00 0.00 H ATOM 907 N HIS A 143 7.433 -13.310 13.739 1.00 69.82 N ATOM 908 CA HIS A 143 7.968 -14.447 14.484 1.00 70.50 C ATOM 909 C HIS A 143 8.988 -15.225 13.661 1.00 65.24 C ATOM 910 O HIS A 143 8.668 -15.719 12.574 1.00 59.88 O ATOM 911 CB HIS A 143 6.847 -15.383 14.930 1.00 73.38 C ATOM 912 CG HIS A 143 7.337 -16.589 15.666 1.00 69.59 C ATOM 913 ND1 HIS A 143 7.538 -16.597 17.028 1.00 67.35 N ATOM 914 CD2 HIS A 143 7.689 -17.820 15.226 1.00 71.47 C ATOM 915 CE1 HIS A 143 7.982 -17.783 17.400 1.00 68.56 C ATOM 916 NE2 HIS A 143 8.084 -18.544 16.325 1.00 69.88 N ATOM 917 H HIS A 143 6.799 -13.492 12.935 1.00 0.00 H ATOM 918 N HIS A 144 10.198 -15.369 14.210 1.00 67.59 N ATOM 919 CA HIS A 144 11.281 -16.112 13.575 1.00 65.87 C ATOM 920 C HIS A 144 11.213 -17.571 14.002 1.00 61.56 C ATOM 921 O HIS A 144 11.547 -17.904 15.145 1.00 61.37 O ATOM 922 CB HIS A 144 12.638 -15.519 13.941 1.00 69.46 C ATOM 923 CG HIS A 144 12.899 -14.182 13.328 1.00 76.25 C ATOM 924 ND1 HIS A 144 13.800 -13.286 13.861 1.00 79.60 N ATOM 925 CD2 HIS A 144 12.381 -13.586 12.228 1.00 82.68 C ATOM 926 CE1 HIS A 144 13.823 -12.196 13.118 1.00 83.46 C ATOM 927 NE2 HIS A 144 12.970 -12.351 12.122 1.00 82.06 N ATOM 928 H HIS A 144 10.376 -14.930 15.136 1.00 0.00 H ATOM 929 N SER A 145 10.771 -18.432 13.083 1.00 58.88 N ATOM 930 CA SER A 145 10.938 -19.875 13.171 1.00 54.80 C ATOM 931 C SER A 145 12.171 -20.353 12.418 1.00 58.35 C ATOM 932 O SER A 145 12.511 -21.539 12.501 1.00 56.49 O ATOM 933 CB SER A 145 9.711 -20.590 12.590 1.00 57.46 C ATOM 934 OG SER A 145 8.514 -19.893 12.885 1.00 64.14 O ATOM 935 HG SER A 145 8.559 -18.983 12.497 1.00 0.00 H ATOM 936 H SER A 145 10.277 -18.048 12.253 1.00 0.00 H ATOM 937 N SER A 146 12.824 -19.456 11.677 1.00 61.42 N ATOM 938 CA SER A 146 13.916 -19.780 10.773 1.00 64.08 C ATOM 939 C SER A 146 15.003 -18.734 10.933 1.00 63.80 C ATOM 940 O SER A 146 14.832 -17.742 11.643 1.00 67.71 O ATOM 941 CB SER A 146 13.455 -19.804 9.311 1.00 68.28 C ATOM 942 OG SER A 146 13.663 -18.535 8.700 1.00 72.29 O ATOM 943 HG SER A 146 14.627 -18.310 8.730 1.00 0.00 H ATOM 944 H SER A 146 12.533 -18.460 11.751 1.00 0.00 H ATOM 945 N LEU A 147 16.123 -18.947 10.257 1.00 64.25 N ATOM 946 CA LEU A 147 17.140 -17.908 10.212 1.00 65.79 C ATOM 947 C LEU A 147 16.587 -16.753 9.389 1.00 68.66 C ATOM 948 O LEU A 147 16.180 -16.966 8.237 1.00 67.20 O ATOM 949 CB LEU A 147 18.445 -18.431 9.621 1.00 70.58 C ATOM 950 CG LEU A 147 19.709 -17.769 10.192 1.00 76.67 C ATOM 951 CD1 LEU A 147 20.949 -18.564 9.809 1.00 80.64 C ATOM 952 CD2 LEU A 147 19.854 -16.311 9.748 1.00 76.28 C ATOM 953 H LEU A 147 16.273 -19.850 9.763 1.00 0.00 H ATOM 954 N PRO A 148 16.520 -15.537 9.936 1.00 64.99 N ATOM 955 CA PRO A 148 15.836 -14.440 9.233 1.00 57.26 C ATOM 956 C PRO A 148 16.630 -14.003 8.014 1.00 60.16 C ATOM 957 O PRO A 148 17.765 -13.545 8.131 1.00 77.35 O ATOM 958 CB PRO A 148 15.757 -13.328 10.288 1.00 55.56 C ATOM 959 CG PRO A 148 16.181 -13.953 11.584 1.00 55.80 C ATOM 960 CD PRO A 148 17.054 -15.102 11.236 1.00 60.76 C ATOM 961 N GLU A 149 16.033 -14.159 6.839 1.00 62.20 N ATOM 962 CA GLU A 149 16.623 -13.644 5.614 1.00 55.93 C ATOM 963 C GLU A 149 15.931 -12.356 5.190 1.00 55.83 C ATOM 964 O GLU A 149 16.570 -11.309 5.084 1.00 62.88 O ATOM 965 CB GLU A 149 16.550 -14.704 4.509 1.00 56.78 C ATOM 966 H GLU A 149 15.123 -14.661 6.793 1.00 0.00 H ATOM 967 N PHE A 150 14.617 -12.399 5.001 1.00 55.34 N ATOM 968 CA PHE A 150 13.900 -11.174 4.677 1.00 57.71 C ATOM 969 C PHE A 150 13.664 -10.313 5.909 1.00 64.78 C ATOM 970 O PHE A 150 13.863 -9.094 5.861 1.00 70.77 O ATOM 971 CB PHE A 150 12.563 -11.490 4.021 1.00 61.62 C ATOM 972 CG PHE A 150 11.586 -10.358 4.098 1.00 62.02 C ATOM 973 CD1 PHE A 150 11.905 -9.116 3.580 1.00 58.21 C ATOM 974 CD2 PHE A 150 10.355 -10.530 4.692 1.00 71.82 C ATOM 975 CE1 PHE A 150 11.018 -8.066 3.655 1.00 56.60 C ATOM 976 CE2 PHE A 150 9.453 -9.478 4.764 1.00 70.69 C ATOM 977 CZ PHE A 150 9.788 -8.246 4.244 1.00 58.53 C ATOM 978 H PHE A 150 14.105 -13.300 5.084 1.00 0.00 H ATOM 979 N ALA A 151 13.219 -10.933 7.011 1.00 63.33 N ATOM 980 CA ALA A 151 12.729 -10.178 8.162 1.00 53.06 C ATOM 981 C ALA A 151 13.757 -9.159 8.623 1.00 59.15 C ATOM 982 O ALA A 151 13.417 -8.005 8.897 1.00 64.92 O ATOM 983 CB ALA A 151 12.379 -11.131 9.299 1.00 51.79 C ATOM 984 H ALA A 151 13.223 -11.972 7.047 1.00 0.00 H ATOM 985 N VAL A 152 15.029 -9.554 8.631 1.00 62.13 N ATOM 986 CA VAL A 152 16.152 -8.741 9.075 1.00 53.53 C ATOM 987 C VAL A 152 16.054 -7.321 8.555 1.00 54.05 C ATOM 988 O VAL A 152 15.627 -7.095 7.426 1.00 80.24 O ATOM 989 CB VAL A 152 17.473 -9.375 8.615 1.00 54.43 C ATOM 990 CG1 VAL A 152 18.619 -8.401 8.753 1.00 66.80 C ATOM 991 CG2 VAL A 152 17.766 -10.604 9.408 1.00 54.02 C ATOM 992 H VAL A 152 15.236 -10.516 8.295 1.00 0.00 H ATOM 993 N GLY A 153 16.396 -6.344 9.387 1.00 55.25 N ATOM 994 CA GLY A 153 16.712 -5.024 8.889 1.00 64.53 C ATOM 995 C GLY A 153 15.765 -3.967 9.411 1.00 74.78 C ATOM 996 O GLY A 153 15.334 -4.020 10.565 1.00 74.94 O ATOM 997 H GLY A 153 16.437 -6.531 10.409 1.00 0.00 H ATOM 998 N ASP A 154 15.462 -2.997 8.545 1.00 97.36 N ATOM 999 CA ASP A 154 14.780 -1.780 8.971 1.00107.96 C ATOM 1000 C ASP A 154 13.355 -2.061 9.402 1.00104.83 C ATOM 1001 O ASP A 154 12.786 -1.295 10.184 1.00116.13 O ATOM 1002 CB ASP A 154 14.804 -0.727 7.858 1.00111.43 C ATOM 1003 CG ASP A 154 14.765 0.689 8.407 1.00111.94 C ATOM 1004 OD1 ASP A 154 15.777 1.138 8.988 1.00111.56 O ATOM 1005 OD2 ASP A 154 13.724 1.364 8.249 1.00110.92 O ATOM 1006 H ASP A 154 15.718 -3.112 7.544 1.00 0.00 H ATOM 1007 N ASN A 155 12.749 -3.129 8.896 1.00 82.71 N ATOM 1008 CA ASN A 155 11.532 -3.650 9.505 1.00 80.70 C ATOM 1009 C ASN A 155 11.733 -5.159 9.630 1.00 85.48 C ATOM 1010 O ASN A 155 11.464 -5.926 8.700 1.00 78.02 O ATOM 1011 CB ASN A 155 10.281 -3.259 8.724 1.00 74.05 C ATOM 1012 CG ASN A 155 9.423 -2.242 9.470 1.00 63.92 C ATOM 1013 OD1 ASN A 155 9.311 -2.284 10.690 1.00 52.40 O ATOM 1014 ND2 ASN A 155 8.807 -1.334 8.732 1.00 66.45 N ATOM 1015 HD22 ASN A 155 8.929 -1.333 7.699 1.00 0.00 H ATOM 1016 HD21 ASN A 155 8.201 -0.620 9.184 1.00 0.00 H ATOM 1017 H ASN A 155 13.147 -3.598 8.057 1.00 0.00 H ATOM 1018 N ALA A 156 12.289 -5.561 10.781 1.00 76.04 N ATOM 1019 CA ALA A 156 12.223 -6.925 11.277 1.00 56.64 C ATOM 1020 C ALA A 156 10.866 -7.223 11.871 1.00 50.50 C ATOM 1021 O ALA A 156 10.619 -8.351 12.309 1.00 50.10 O ATOM 1022 CB ALA A 156 13.328 -7.175 12.297 1.00 50.90 C ATOM 1023 H ALA A 156 12.797 -4.856 11.352 1.00 0.00 H ATOM 1024 N ILE A 157 10.013 -6.211 11.927 1.00 50.91 N ATOM 1025 CA ILE A 157 8.569 -6.380 11.865 1.00 58.36 C ATOM 1026 C ILE A 157 8.122 -5.731 10.565 1.00 72.29 C ATOM 1027 O ILE A 157 7.937 -4.506 10.524 1.00 73.29 O ATOM 1028 CB ILE A 157 7.862 -5.736 13.057 1.00 65.91 C ATOM 1029 CG1 ILE A 157 8.462 -6.257 14.361 1.00 76.62 C ATOM 1030 CG2 ILE A 157 6.366 -5.980 12.952 1.00 73.14 C ATOM 1031 CD1 ILE A 157 9.437 -5.308 15.016 1.00 80.88 C ATOM 1032 H ILE A 157 10.394 -5.248 12.020 1.00 0.00 H ATOM 1033 N PRO A 158 7.921 -6.499 9.499 1.00 81.54 N ATOM 1034 CA PRO A 158 7.725 -5.910 8.171 1.00 79.97 C ATOM 1035 C PRO A 158 6.557 -4.942 8.157 1.00 81.44 C ATOM 1036 O PRO A 158 5.751 -4.907 9.099 1.00 91.29 O ATOM 1037 CB PRO A 158 7.449 -7.132 7.282 1.00 83.61 C ATOM 1038 CG PRO A 158 6.994 -8.205 8.226 1.00 87.31 C ATOM 1039 CD PRO A 158 7.738 -7.961 9.495 1.00 87.82 C ATOM 1040 N PRO A 159 6.453 -4.113 7.124 1.00 73.16 N ATOM 1041 CA PRO A 159 5.319 -3.190 7.028 1.00 69.46 C ATOM 1042 C PRO A 159 3.987 -3.916 7.147 1.00 74.61 C ATOM 1043 O PRO A 159 3.793 -5.004 6.597 1.00 70.92 O ATOM 1044 CB PRO A 159 5.505 -2.565 5.646 1.00 69.76 C ATOM 1045 CG PRO A 159 6.986 -2.539 5.487 1.00 72.40 C ATOM 1046 CD PRO A 159 7.469 -3.831 6.097 1.00 72.14 C ATOM 1047 N MET A 160 3.067 -3.299 7.884 1.00 75.62 N ATOM 1048 CA MET A 160 1.792 -3.903 8.214 1.00 73.88 C ATOM 1049 C MET A 160 0.666 -3.258 7.414 1.00 67.31 C ATOM 1050 O MET A 160 0.748 -2.082 7.051 1.00 66.92 O ATOM 1051 CB MET A 160 1.502 -3.760 9.713 1.00 71.36 C ATOM 1052 CG MET A 160 0.879 -4.990 10.333 1.00 75.68 C ATOM 1053 SD MET A 160 1.829 -6.494 10.030 1.00 76.07 S ATOM 1054 CE MET A 160 3.385 -6.071 10.795 1.00 67.95 C ATOM 1055 H MET A 160 3.272 -2.343 8.238 1.00 0.00 H ATOM 1056 N PRO A 161 -0.387 -4.009 7.096 1.00 67.62 N ATOM 1057 CA PRO A 161 -1.565 -3.398 6.475 1.00 67.97 C ATOM 1058 C PRO A 161 -2.140 -2.294 7.349 1.00 71.05 C ATOM 1059 O PRO A 161 -1.790 -2.129 8.521 1.00 67.89 O ATOM 1060 CB PRO A 161 -2.528 -4.579 6.324 1.00 58.75 C ATOM 1061 CG PRO A 161 -1.614 -5.744 6.146 1.00 55.28 C ATOM 1062 CD PRO A 161 -0.459 -5.481 7.070 1.00 60.08 C ATOM 1063 N LYS A 162 -3.045 -1.521 6.747 1.00 68.50 N ATOM 1064 CA LYS A 162 -3.537 -0.302 7.386 1.00 74.69 C ATOM 1065 C LYS A 162 -4.356 -0.606 8.635 1.00 72.96 C ATOM 1066 O LYS A 162 -4.189 0.051 9.670 1.00 79.41 O ATOM 1067 CB LYS A 162 -4.373 0.501 6.390 1.00 82.16 C ATOM 1068 H LYS A 162 -3.406 -1.790 5.809 1.00 0.00 H ATOM 1069 N GLN A 163 -5.250 -1.588 8.549 1.00 69.98 N ATOM 1070 CA GLN A 163 -6.105 -1.941 9.676 1.00 67.57 C ATOM 1071 C GLN A 163 -5.285 -2.368 10.885 1.00 75.52 C ATOM 1072 O GLN A 163 -5.682 -2.113 12.029 1.00 73.88 O ATOM 1073 CB GLN A 163 -7.062 -3.063 9.263 1.00 57.58 C ATOM 1074 CG GLN A 163 -7.693 -2.914 7.876 1.00 63.41 C ATOM 1075 CD GLN A 163 -6.699 -3.074 6.726 1.00 67.47 C ATOM 1076 OE1 GLN A 163 -5.550 -3.466 6.936 1.00 65.73 O ATOM 1077 NE2 GLN A 163 -7.130 -2.733 5.514 1.00 65.51 N ATOM 1078 HE22 GLN A 163 -8.109 -2.407 5.383 1.00 0.00 H ATOM 1079 HE21 GLN A 163 -6.488 -2.792 4.698 1.00 0.00 H ATOM 1080 H GLN A 163 -5.341 -2.116 7.657 1.00 0.00 H ATOM 1081 N LEU A 164 -4.134 -3.001 10.648 1.00 78.82 N ATOM 1082 CA LEU A 164 -3.284 -3.553 11.695 1.00 69.75 C ATOM 1083 C LEU A 164 -2.130 -2.637 12.086 1.00 66.54 C ATOM 1084 O LEU A 164 -1.454 -2.913 13.083 1.00 65.75 O ATOM 1085 CB LEU A 164 -2.719 -4.911 11.249 1.00 60.02 C ATOM 1086 CG LEU A 164 -3.691 -5.940 10.669 1.00 53.82 C ATOM 1087 CD1 LEU A 164 -2.926 -7.081 10.024 1.00 60.67 C ATOM 1088 CD2 LEU A 164 -4.618 -6.461 11.740 1.00 53.79 C ATOM 1089 H LEU A 164 -3.826 -3.106 9.660 1.00 0.00 H ATOM 1090 N GLN A 165 -1.881 -1.563 11.335 1.00 63.66 N ATOM 1091 CA GLN A 165 -0.788 -0.669 11.690 1.00 63.94 C ATOM 1092 C GLN A 165 -0.965 -0.055 13.075 1.00 65.03 C ATOM 1093 O GLN A 165 0.004 0.473 13.632 1.00 73.73 O ATOM 1094 CB GLN A 165 -0.643 0.425 10.622 1.00 66.20 C ATOM 1095 CG GLN A 165 0.545 1.363 10.835 1.00 79.64 C ATOM 1096 CD GLN A 165 1.410 1.529 9.608 1.00 89.30 C ATOM 1097 OE1 GLN A 165 2.449 0.881 9.483 1.00 93.91 O ATOM 1098 NE2 GLN A 165 0.997 2.413 8.701 1.00 89.20 N ATOM 1099 HE22 GLN A 165 0.111 2.937 8.851 1.00 0.00 H ATOM 1100 HE21 GLN A 165 1.560 2.579 7.843 1.00 0.00 H ATOM 1101 H GLN A 165 -2.466 -1.365 10.498 1.00 0.00 H ATOM 1102 N GLY A 166 -2.155 -0.148 13.664 1.00 62.95 N ATOM 1103 CA GLY A 166 -2.396 0.467 14.952 1.00 57.66 C ATOM 1104 C GLY A 166 -2.087 -0.378 16.164 1.00 66.35 C ATOM 1105 O GLY A 166 -2.058 0.157 17.275 1.00 69.05 O ATOM 1106 H GLY A 166 -2.922 -0.669 13.193 1.00 0.00 H ATOM 1107 N ILE A 167 -1.842 -1.679 15.985 1.00 67.00 N ATOM 1108 CA ILE A 167 -1.664 -2.631 17.082 1.00 66.19 C ATOM 1109 C ILE A 167 -0.179 -2.866 17.329 1.00 63.21 C ATOM 1110 O ILE A 167 0.590 -3.050 16.374 1.00 68.32 O ATOM 1111 CB ILE A 167 -2.374 -3.956 16.757 1.00 63.95 C ATOM 1112 CG1 ILE A 167 -3.844 -3.710 16.417 1.00 62.68 C ATOM 1113 CG2 ILE A 167 -2.233 -4.923 17.903 1.00 65.22 C ATOM 1114 CD1 ILE A 167 -4.550 -4.940 15.883 1.00 59.73 C ATOM 1115 H ILE A 167 -1.774 -2.036 15.010 1.00 0.00 H ATOM 1116 N ARG A 168 0.222 -2.889 18.610 1.00 53.51 N ATOM 1117 CA ARG A 168 1.639 -3.009 18.958 1.00 50.15 C ATOM 1118 C ARG A 168 2.219 -4.280 18.358 1.00 50.27 C ATOM 1119 O ARG A 168 1.590 -5.336 18.389 1.00 62.34 O ATOM 1120 CB ARG A 168 1.848 -3.017 20.482 1.00 54.38 C ATOM 1121 CG ARG A 168 3.325 -3.273 20.891 1.00 59.65 C ATOM 1122 CD ARG A 168 3.644 -3.281 22.416 1.00 60.46 C ATOM 1123 NE ARG A 168 5.052 -3.654 22.663 1.00 62.95 N ATOM 1124 CZ ARG A 168 5.585 -3.995 23.843 1.00 59.06 C ATOM 1125 NH1 ARG A 168 6.875 -4.317 23.917 1.00 54.72 N ATOM 1126 NH2 ARG A 168 4.850 -4.012 24.950 1.00 54.10 N ATOM 1127 HE ARG A 168 5.690 -3.651 21.842 1.00 0.00 H ATOM 1128 HH12 ARG A 168 7.293 -4.582 24.832 1.00 0.00 H ATOM 1129 HH11 ARG A 168 7.464 -4.303 23.060 1.00 0.00 H ATOM 1130 HH22 ARG A 168 5.282 -4.280 25.857 1.00 0.00 H ATOM 1131 HH21 ARG A 168 3.842 -3.758 24.909 1.00 0.00 H ATOM 1132 H ARG A 168 -0.486 -2.820 19.368 1.00 0.00 H ATOM 1133 N ALA A 169 3.424 -4.178 17.801 1.00 53.50 N ATOM 1134 CA ALA A 169 4.037 -5.288 17.085 1.00 56.85 C ATOM 1135 C ALA A 169 5.465 -5.506 17.565 1.00 59.46 C ATOM 1136 O ALA A 169 6.166 -4.558 17.928 1.00 67.21 O ATOM 1137 CB ALA A 169 4.022 -5.054 15.566 1.00 51.37 C ATOM 1138 H ALA A 169 3.942 -3.280 17.880 1.00 0.00 H ATOM 1139 N LEU A 170 5.890 -6.768 17.552 1.00 55.77 N ATOM 1140 CA LEU A 170 7.207 -7.162 18.021 1.00 48.34 C ATOM 1141 C LEU A 170 7.884 -8.072 17.007 1.00 49.31 C ATOM 1142 O LEU A 170 7.243 -8.663 16.140 1.00 65.05 O ATOM 1143 CB LEU A 170 7.138 -7.897 19.362 1.00 52.77 C ATOM 1144 CG LEU A 170 6.714 -7.183 20.644 1.00 50.90 C ATOM 1145 CD1 LEU A 170 5.203 -7.156 20.779 1.00 48.34 C ATOM 1146 CD2 LEU A 170 7.334 -7.881 21.844 1.00 48.04 C ATOM 1147 H LEU A 170 5.251 -7.504 17.190 1.00 0.00 H ATOM 1148 N GLU A 171 9.202 -8.157 17.118 1.00 56.38 N ATOM 1149 CA GLU A 171 9.974 -9.230 16.515 1.00 63.24 C ATOM 1150 C GLU A 171 10.122 -10.326 17.560 1.00 70.22 C ATOM 1151 O GLU A 171 10.337 -10.046 18.742 1.00 75.02 O ATOM 1152 CB GLU A 171 11.339 -8.720 16.062 1.00 61.72 C ATOM 1153 CG GLU A 171 12.268 -9.760 15.483 1.00 67.49 C ATOM 1154 CD GLU A 171 13.593 -9.142 15.088 1.00 77.28 C ATOM 1155 OE1 GLU A 171 14.061 -8.243 15.820 1.00 76.51 O ATOM 1156 OE2 GLU A 171 14.162 -9.530 14.045 1.00 83.38 O ATOM 1157 H GLU A 171 9.705 -7.425 17.659 1.00 0.00 H ATOM 1158 N THR A 172 9.980 -11.574 17.139 1.00 67.57 N ATOM 1159 CA THR A 172 9.788 -12.625 18.123 1.00 63.05 C ATOM 1160 C THR A 172 10.489 -13.908 17.706 1.00 65.27 C ATOM 1161 O THR A 172 10.456 -14.303 16.536 1.00 64.85 O ATOM 1162 CB THR A 172 8.293 -12.867 18.340 1.00 58.92 C ATOM 1163 OG1 THR A 172 7.776 -11.840 19.190 1.00 54.49 O ATOM 1164 CG2 THR A 172 8.050 -14.207 18.974 1.00 56.98 C ATOM 1165 HG1 THR A 172 7.914 -10.958 18.762 1.00 0.00 H ATOM 1166 H THR A 172 10.006 -11.797 16.123 1.00 0.00 H ATOM 1167 N SER A 173 11.127 -14.548 18.680 1.00 49.19 N ATOM 1168 CA SER A 173 11.761 -15.837 18.481 1.00 49.73 C ATOM 1169 C SER A 173 12.132 -16.398 19.840 1.00 59.73 C ATOM 1170 O SER A 173 12.238 -15.665 20.826 1.00 66.27 O ATOM 1171 CB SER A 173 12.996 -15.727 17.600 1.00 57.35 C ATOM 1172 OG SER A 173 13.694 -16.954 17.608 1.00 70.91 O ATOM 1173 HG SER A 173 13.105 -17.670 17.261 1.00 0.00 H ATOM 1174 H SER A 173 11.174 -14.108 19.621 1.00 0.00 H ATOM 1175 N LEU A 174 12.313 -17.712 19.885 1.00 63.15 N ATOM 1176 CA LEU A 174 12.839 -18.346 21.086 1.00 65.36 C ATOM 1177 C LEU A 174 14.351 -18.467 21.047 1.00 65.07 C ATOM 1178 O LEU A 174 15.000 -18.432 22.102 1.00 68.48 O ATOM 1179 CB LEU A 174 12.233 -19.739 21.269 1.00 70.85 C ATOM 1180 CG LEU A 174 10.818 -19.877 21.841 1.00 67.58 C ATOM 1181 CD1 LEU A 174 9.772 -19.610 20.764 1.00 71.45 C ATOM 1182 CD2 LEU A 174 10.628 -21.254 22.450 1.00 60.74 C ATOM 1183 H LEU A 174 12.077 -18.294 19.056 1.00 0.00 H ATOM 1184 N ASP A 175 14.918 -18.601 19.852 1.00 61.37 N ATOM 1185 CA ASP A 175 16.349 -18.772 19.656 1.00 63.33 C ATOM 1186 C ASP A 175 16.994 -17.614 18.916 1.00 58.06 C ATOM 1187 O ASP A 175 18.091 -17.181 19.282 1.00 55.57 O ATOM 1188 CB ASP A 175 16.604 -20.071 18.889 1.00 66.52 C ATOM 1189 CG ASP A 175 15.530 -20.349 17.871 1.00 80.17 C ATOM 1190 OD1 ASP A 175 14.712 -19.432 17.633 1.00 87.65 O ATOM 1191 OD2 ASP A 175 15.501 -21.471 17.313 1.00 83.89 O ATOM 1192 H ASP A 175 14.305 -18.583 19.012 1.00 0.00 H ATOM 1193 N TYR A 176 16.331 -17.095 17.890 1.00 59.51 N ATOM 1194 CA TYR A 176 16.885 -16.013 17.093 1.00 58.20 C ATOM 1195 C TYR A 176 16.674 -14.698 17.844 1.00 57.91 C ATOM 1196 O TYR A 176 16.315 -14.681 19.024 1.00 61.35 O ATOM 1197 CB TYR A 176 16.273 -16.035 15.690 1.00 60.52 C ATOM 1198 CG TYR A 176 16.715 -17.224 14.844 1.00 58.50 C ATOM 1199 CD1 TYR A 176 17.985 -17.266 14.283 1.00 62.05 C ATOM 1200 CD2 TYR A 176 15.869 -18.304 14.616 1.00 60.24 C ATOM 1201 CE1 TYR A 176 18.404 -18.345 13.516 1.00 70.08 C ATOM 1202 CE2 TYR A 176 16.284 -19.393 13.851 1.00 66.44 C ATOM 1203 CZ TYR A 176 17.554 -19.402 13.299 1.00 72.67 C ATOM 1204 OH TYR A 176 17.996 -20.460 12.529 1.00 76.23 O ATOM 1205 HH TYR A 176 18.922 -20.283 12.227 1.00 0.00 H ATOM 1206 H TYR A 176 15.392 -17.472 17.650 1.00 0.00 H ATOM 1207 N GLN A 177 16.928 -13.578 17.177 1.00 56.73 N ATOM 1208 CA GLN A 177 16.786 -12.285 17.826 1.00 50.42 C ATOM 1209 C GLN A 177 15.389 -12.139 18.399 1.00 53.89 C ATOM 1210 O GLN A 177 14.398 -12.536 17.782 1.00 49.57 O ATOM 1211 CB GLN A 177 17.069 -11.168 16.831 1.00 56.05 C ATOM 1212 CG GLN A 177 16.774 -9.785 17.345 1.00 57.11 C ATOM 1213 CD GLN A 177 17.530 -8.736 16.579 1.00 55.55 C ATOM 1214 OE1 GLN A 177 18.756 -8.674 16.644 1.00 70.30 O ATOM 1215 NE2 GLN A 177 16.808 -7.909 15.834 1.00 50.68 N ATOM 1216 HE22 GLN A 177 15.772 -8.000 15.811 1.00 0.00 H ATOM 1217 HE21 GLN A 177 17.278 -7.170 15.273 1.00 0.00 H ATOM 1218 H GLN A 177 17.231 -13.626 16.183 1.00 0.00 H ATOM 1219 N SER A 178 15.310 -11.574 19.597 1.00 59.53 N ATOM 1220 CA SER A 178 14.040 -11.548 20.290 1.00 53.45 C ATOM 1221 C SER A 178 13.950 -10.354 21.231 1.00 67.31 C ATOM 1222 O SER A 178 14.960 -9.798 21.699 1.00 66.01 O ATOM 1223 CB SER A 178 13.820 -12.848 21.058 1.00 50.05 C ATOM 1224 OG SER A 178 12.437 -13.077 21.260 1.00 55.19 O ATOM 1225 HG SER A 178 12.313 -13.923 21.759 1.00 0.00 H ATOM 1226 H SER A 178 16.154 -11.153 20.035 1.00 0.00 H ATOM 1227 N ASP A 179 12.695 -9.978 21.479 1.00 72.60 N ATOM 1228 CA ASP A 179 12.249 -9.018 22.475 1.00 80.47 C ATOM 1229 C ASP A 179 11.693 -9.772 23.683 1.00 93.47 C ATOM 1230 O ASP A 179 11.268 -10.924 23.571 1.00 97.64 O ATOM 1231 CB ASP A 179 11.166 -8.105 21.881 1.00 76.06 C ATOM 1232 CG ASP A 179 11.586 -7.467 20.561 1.00 77.19 C ATOM 1233 OD1 ASP A 179 10.925 -6.491 20.137 1.00 75.00 O ATOM 1234 OD2 ASP A 179 12.573 -7.936 19.946 1.00 74.39 O ATOM 1235 H ASP A 179 11.955 -10.420 20.897 1.00 0.00 H ATOM 1236 N ASN A 180 11.684 -9.112 24.846 1.00 96.46 N ATOM 1237 CA ASN A 180 11.103 -9.716 26.051 1.00 97.06 C ATOM 1238 C ASN A 180 9.583 -9.655 25.930 1.00 91.55 C ATOM 1239 O ASN A 180 8.909 -8.801 26.512 1.00101.24 O ATOM 1240 CB ASN A 180 11.587 -9.020 27.324 1.00 93.00 C ATOM 1241 CG ASN A 180 11.155 -9.745 28.607 1.00 87.29 C ATOM 1242 OD1 ASN A 180 10.118 -10.408 28.651 1.00 81.13 O ATOM 1243 ND2 ASN A 180 11.958 -9.611 29.656 1.00 90.46 N ATOM 1244 HD22 ASN A 180 12.825 -9.042 29.578 1.00 0.00 H ATOM 1245 HD21 ASN A 180 11.720 -10.075 30.556 1.00 0.00 H ATOM 1246 H ASN A 180 12.094 -8.158 24.897 1.00 0.00 H ATOM 1247 N PHE A 181 9.029 -10.598 25.173 1.00 74.30 N ATOM 1248 CA PHE A 181 7.598 -10.574 24.917 1.00 65.69 C ATOM 1249 C PHE A 181 6.779 -11.301 25.975 1.00 66.87 C ATOM 1250 O PHE A 181 5.547 -11.218 25.938 1.00 57.56 O ATOM 1251 CB PHE A 181 7.285 -11.127 23.517 1.00 61.69 C ATOM 1252 CG PHE A 181 7.481 -12.617 23.354 1.00 58.11 C ATOM 1253 CD1 PHE A 181 8.727 -13.141 23.052 1.00 58.26 C ATOM 1254 CD2 PHE A 181 6.401 -13.483 23.421 1.00 55.05 C ATOM 1255 CE1 PHE A 181 8.901 -14.503 22.872 1.00 49.21 C ATOM 1256 CE2 PHE A 181 6.566 -14.852 23.246 1.00 51.53 C ATOM 1257 CZ PHE A 181 7.818 -15.359 22.970 1.00 52.41 C ATOM 1258 H PHE A 181 9.619 -11.351 24.765 1.00 0.00 H ATOM 1259 N LYS A 182 7.415 -11.988 26.929 1.00 65.63 N ATOM 1260 CA LYS A 182 6.674 -12.368 28.123 1.00 51.28 C ATOM 1261 C LYS A 182 6.127 -11.133 28.819 1.00 50.09 C ATOM 1262 O LYS A 182 5.014 -11.167 29.353 1.00 53.14 O ATOM 1263 CB LYS A 182 7.554 -13.179 29.072 1.00 57.00 C ATOM 1264 CG LYS A 182 6.857 -13.603 30.374 1.00 64.51 C ATOM 1265 CD LYS A 182 5.603 -14.447 30.117 1.00 63.77 C ATOM 1266 CE LYS A 182 5.173 -15.213 31.370 1.00 56.70 C ATOM 1267 NZ LYS A 182 5.259 -14.354 32.591 1.00 54.50 N ATOM 1268 HZ1 LYS A 182 6.240 -14.034 32.720 1.00 0.00 H ATOM 1269 HZ2 LYS A 182 4.636 -13.529 32.478 1.00 0.00 H ATOM 1270 HZ3 LYS A 182 4.961 -14.904 33.422 1.00 0.00 H ATOM 1271 H LYS A 182 8.417 -12.245 26.821 1.00 0.00 H ATOM 1272 N GLU A 183 6.877 -10.024 28.786 1.00 49.68 N ATOM 1273 CA GLU A 183 6.435 -8.793 29.444 1.00 58.81 C ATOM 1274 C GLU A 183 5.249 -8.164 28.725 1.00 49.70 C ATOM 1275 O GLU A 183 4.319 -7.660 29.367 1.00 50.14 O ATOM 1276 CB GLU A 183 7.578 -7.784 29.513 1.00 49.48 C ATOM 1277 CG GLU A 183 8.712 -8.160 30.416 1.00 49.74 C ATOM 1278 CD GLU A 183 8.268 -8.377 31.815 1.00 50.43 C ATOM 1279 OE1 GLU A 183 7.748 -7.429 32.423 1.00 50.65 O ATOM 1280 OE2 GLU A 183 8.430 -9.508 32.292 1.00 62.17 O ATOM 1281 H GLU A 183 7.788 -10.037 28.285 1.00 0.00 H ATOM 1282 N ALA A 184 5.283 -8.147 27.392 1.00 49.74 N ATOM 1283 CA ALA A 184 4.181 -7.570 26.629 1.00 56.66 C ATOM 1284 C ALA A 184 2.908 -8.371 26.804 1.00 67.47 C ATOM 1285 O ALA A 184 1.805 -7.813 26.760 1.00 74.42 O ATOM 1286 CB ALA A 184 4.546 -7.505 25.152 1.00 53.07 C ATOM 1287 H ALA A 184 6.102 -8.548 26.892 1.00 0.00 H ATOM 1288 N PHE A 185 3.048 -9.685 26.966 1.00 73.65 N ATOM 1289 CA PHE A 185 1.910 -10.532 27.280 1.00 71.56 C ATOM 1290 C PHE A 185 1.412 -10.252 28.688 1.00 63.13 C ATOM 1291 O PHE A 185 0.218 -10.002 28.891 1.00 69.38 O ATOM 1292 CB PHE A 185 2.316 -11.994 27.098 1.00 83.51 C ATOM 1293 CG PHE A 185 1.455 -12.978 27.832 1.00 90.15 C ATOM 1294 CD1 PHE A 185 0.114 -13.124 27.516 1.00 91.79 C ATOM 1295 CD2 PHE A 185 2.005 -13.793 28.809 1.00 92.52 C ATOM 1296 CE1 PHE A 185 -0.669 -14.047 28.185 1.00 94.24 C ATOM 1297 CE2 PHE A 185 1.233 -14.718 29.472 1.00 92.84 C ATOM 1298 CZ PHE A 185 -0.109 -14.844 29.167 1.00 95.51 C ATOM 1299 H PHE A 185 3.990 -10.114 26.866 1.00 0.00 H ATOM 1300 N ASP A 186 2.324 -10.266 29.670 1.00 57.27 N ATOM 1301 CA ASP A 186 1.968 -9.889 31.035 1.00 52.10 C ATOM 1302 C ASP A 186 1.178 -8.586 31.041 1.00 63.51 C ATOM 1303 O ASP A 186 0.140 -8.477 31.701 1.00 72.77 O ATOM 1304 CB ASP A 186 3.229 -9.753 31.904 1.00 52.75 C ATOM 1305 CG ASP A 186 4.001 -11.063 32.065 1.00 60.69 C ATOM 1306 OD1 ASP A 186 3.411 -12.132 31.816 1.00 63.05 O ATOM 1307 OD2 ASP A 186 5.201 -11.023 32.443 1.00 62.18 O ATOM 1308 H ASP A 186 3.301 -10.550 29.456 1.00 0.00 H ATOM 1309 N ALA A 187 1.633 -7.593 30.269 1.00 66.10 N ATOM 1310 CA ALA A 187 0.989 -6.283 30.292 1.00 65.84 C ATOM 1311 C ALA A 187 -0.370 -6.296 29.604 1.00 67.62 C ATOM 1312 O ALA A 187 -1.224 -5.459 29.913 1.00 73.24 O ATOM 1313 CB ALA A 187 1.895 -5.236 29.645 1.00 61.60 C ATOM 1314 H ALA A 187 2.451 -7.755 29.648 1.00 0.00 H ATOM 1315 N LEU A 188 -0.592 -7.222 28.670 1.00 74.69 N ATOM 1316 CA LEU A 188 -1.858 -7.243 27.938 1.00 69.46 C ATOM 1317 C LEU A 188 -3.024 -7.623 28.846 1.00 68.52 C ATOM 1318 O LEU A 188 -4.111 -7.042 28.748 1.00 58.19 O ATOM 1319 CB LEU A 188 -1.758 -8.203 26.754 1.00 58.74 C ATOM 1320 CG LEU A 188 -3.074 -8.560 26.070 1.00 52.51 C ATOM 1321 CD1 LEU A 188 -3.831 -7.324 25.643 1.00 53.84 C ATOM 1322 CD2 LEU A 188 -2.809 -9.444 24.879 1.00 52.06 C ATOM 1323 H LEU A 188 0.138 -7.932 28.461 1.00 0.00 H ATOM 1324 N VAL A 189 -2.810 -8.585 29.745 1.00 70.41 N ATOM 1325 CA VAL A 189 -3.882 -9.045 30.627 1.00 74.41 C ATOM 1326 C VAL A 189 -4.357 -7.918 31.540 1.00 74.30 C ATOM 1327 O VAL A 189 -5.557 -7.789 31.825 1.00 73.37 O ATOM 1328 CB VAL A 189 -3.409 -10.268 31.435 1.00 68.34 C ATOM 1329 CG1 VAL A 189 -4.563 -10.858 32.217 1.00 74.08 C ATOM 1330 CG2 VAL A 189 -2.791 -11.311 30.510 1.00 56.66 C ATOM 1331 H VAL A 189 -1.866 -9.015 29.820 1.00 0.00 H ATOM 1332 N GLU A 190 -3.424 -7.089 32.019 1.00 76.66 N ATOM 1333 CA GLU A 190 -3.790 -6.001 32.921 1.00 72.03 C ATOM 1334 C GLU A 190 -4.683 -4.990 32.223 1.00 69.95 C ATOM 1335 O GLU A 190 -5.672 -4.521 32.797 1.00 72.98 O ATOM 1336 CB GLU A 190 -2.535 -5.313 33.458 1.00 68.31 C ATOM 1337 H GLU A 190 -2.429 -7.220 31.747 1.00 0.00 H ATOM 1338 N GLN A 191 -4.349 -4.643 30.982 1.00 70.53 N ATOM 1339 CA GLN A 191 -5.160 -3.682 30.253 1.00 72.83 C ATOM 1340 C GLN A 191 -6.532 -4.243 29.928 1.00 75.01 C ATOM 1341 O GLN A 191 -7.510 -3.486 29.893 1.00 79.53 O ATOM 1342 CB GLN A 191 -4.447 -3.240 28.979 1.00 72.92 C ATOM 1343 CG GLN A 191 -5.109 -2.044 28.318 1.00 77.82 C ATOM 1344 CD GLN A 191 -5.865 -1.180 29.307 1.00 81.48 C ATOM 1345 OE1 GLN A 191 -5.274 -0.589 30.207 1.00 87.17 O ATOM 1346 NE2 GLN A 191 -7.186 -1.128 29.161 1.00 80.02 N ATOM 1347 HE22 GLN A 191 -7.644 -1.645 28.383 1.00 0.00 H ATOM 1348 HE21 GLN A 191 -7.761 -0.570 29.824 1.00 0.00 H ATOM 1349 H GLN A 191 -3.508 -5.059 30.534 1.00 0.00 H ATOM 1350 N ILE A 192 -6.628 -5.552 29.688 1.00 71.46 N ATOM 1351 CA ILE A 192 -7.937 -6.161 29.478 1.00 75.35 C ATOM 1352 C ILE A 192 -8.811 -5.963 30.706 1.00 79.57 C ATOM 1353 O ILE A 192 -9.855 -5.307 30.658 1.00 82.12 O ATOM 1354 CB ILE A 192 -7.799 -7.654 29.149 1.00 71.76 C ATOM 1355 CG1 ILE A 192 -6.891 -7.861 27.942 1.00 66.38 C ATOM 1356 CG2 ILE A 192 -9.161 -8.221 28.891 1.00 72.53 C ATOM 1357 CD1 ILE A 192 -7.025 -9.232 27.342 1.00 68.16 C ATOM 1358 H ILE A 192 -5.770 -6.138 29.651 1.00 0.00 H ATOM 1359 N ILE A 193 -8.390 -6.529 31.835 1.00 80.03 N ATOM 1360 CA ILE A 193 -9.210 -6.477 33.038 1.00 80.78 C ATOM 1361 C ILE A 193 -9.354 -5.063 33.567 1.00 80.64 C ATOM 1362 O ILE A 193 -10.235 -4.806 34.396 1.00 81.18 O ATOM 1363 CB ILE A 193 -8.605 -7.384 34.118 1.00 79.22 C ATOM 1364 CG1 ILE A 193 -7.195 -6.902 34.449 1.00 75.26 C ATOM 1365 CG2 ILE A 193 -8.581 -8.823 33.633 1.00 78.26 C ATOM 1366 CD1 ILE A 193 -6.613 -7.541 35.678 1.00 74.32 C ATOM 1367 H ILE A 193 -7.469 -7.012 31.858 1.00 0.00 H ATOM 1368 N ALA A 194 -8.514 -4.140 33.090 1.00 80.82 N ATOM 1369 CA ALA A 194 -8.397 -2.829 33.716 1.00 87.96 C ATOM 1370 C ALA A 194 -9.746 -2.133 33.819 1.00103.47 C ATOM 1371 O ALA A 194 -10.073 -1.550 34.860 1.00109.73 O ATOM 1372 CB ALA A 194 -7.413 -1.961 32.935 1.00 80.40 C ATOM 1373 H ALA A 194 -7.933 -4.361 32.256 1.00 0.00 H ATOM 1374 N SER A 195 -10.562 -2.217 32.770 1.00105.90 N ATOM 1375 CA SER A 195 -11.789 -1.436 32.712 1.00112.32 C ATOM 1376 C SER A 195 -13.046 -2.287 32.586 1.00113.82 C ATOM 1377 O SER A 195 -14.120 -1.738 32.313 1.00118.68 O ATOM 1378 CB SER A 195 -11.733 -0.443 31.549 1.00112.20 C ATOM 1379 OG SER A 195 -13.042 -0.100 31.134 1.00115.92 O ATOM 1380 HG SER A 195 -13.518 -0.917 30.840 1.00 0.00 H ATOM 1381 H SER A 195 -10.319 -2.850 31.981 1.00 0.00 H ATOM 1382 N ARG A 196 -12.960 -3.604 32.781 1.00104.13 N ATOM 1383 CA ARG A 196 -14.197 -4.356 32.956 1.00102.97 C ATOM 1384 C ARG A 196 -14.970 -3.847 34.168 1.00105.09 C ATOM 1385 O ARG A 196 -16.158 -4.159 34.322 1.00112.65 O ATOM 1386 CB ARG A 196 -13.916 -5.859 33.077 1.00102.11 C ATOM 1387 CG ARG A 196 -14.230 -6.659 31.805 1.00101.38 C ATOM 1388 CD ARG A 196 -14.573 -8.133 32.097 1.00101.50 C ATOM 1389 NE ARG A 196 -15.405 -8.738 31.050 1.00100.83 N ATOM 1390 CZ ARG A 196 -14.998 -9.698 30.224 1.00 97.05 C ATOM 1391 NH1 ARG A 196 -13.763 -10.174 30.317 1.00 98.79 N ATOM 1392 NH2 ARG A 196 -15.822 -10.183 29.304 1.00 88.96 N ATOM 1393 HE ARG A 196 -16.380 -8.392 30.947 1.00 0.00 H ATOM 1394 HH12 ARG A 196 -13.445 -10.925 29.671 1.00 0.00 H ATOM 1395 HH11 ARG A 196 -13.113 -9.797 31.036 1.00 0.00 H ATOM 1396 HH22 ARG A 196 -15.499 -10.934 28.661 1.00 0.00 H ATOM 1397 HH21 ARG A 196 -16.791 -9.813 29.226 1.00 0.00 H ATOM 1398 H ARG A 196 -12.036 -4.081 32.807 1.00 0.00 H ATOM 1399 N LEU A 197 -14.311 -3.075 35.028 1.00101.49 N ATOM 1400 CA LEU A 197 -14.965 -2.247 36.029 1.00 96.28 C ATOM 1401 C LEU A 197 -14.086 -1.026 36.310 1.00100.39 C ATOM 1402 O LEU A 197 -13.257 -0.639 35.481 1.00100.06 O ATOM 1403 CB LEU A 197 -15.229 -3.034 37.313 1.00 87.91 C ATOM 1404 CG LEU A 197 -15.581 -2.204 38.548 1.00 85.37 C ATOM 1405 CD1 LEU A 197 -16.754 -1.264 38.286 1.00 82.28 C ATOM 1406 CD2 LEU A 197 -15.886 -3.129 39.713 1.00 92.17 C ATOM 1407 H LEU A 197 -13.272 -3.063 34.982 1.00 0.00 H TER 1408 LEU A 197 HETATM 1409 MG MG A 1 -0.687 -25.674 16.002 1.00 56.33 MG HETATM 1410 O HOH 2 7.320 -17.947 12.144 1.00 50.97 O HETATM 1411 O HOH 3 10.060 -4.560 18.851 1.00 48.60 O HETATM 1412 O HOH 4 0.756 -28.923 19.037 1.00 59.76 O HETATM 1413 O HOH 5 0.917 0.587 19.833 1.00 57.29 O HETATM 1414 O HOH 6 -8.134 0.281 13.588 1.00 61.39 O HETATM 1415 O HOH 7 -5.921 -1.471 17.861 1.00 58.73 O HETATM 1416 O3B GTP A 8 0.769 -24.433 13.290 1.00 -0.59 O HETATM 1417 PB GTP A 8 1.214 -22.934 13.685 1.00 0.21 P HETATM 1418 O1B GTP A 8 0.933 -21.996 12.536 1.00 -0.59 O HETATM 1419 O2B GTP A 8 0.548 -22.473 14.950 1.00 -0.59 O HETATM 1420 O3A GTP A 8 2.775 -22.987 13.992 1.00 -0.15 O HETATM 1421 PA GTP A 8 3.331 -24.024 15.062 1.00 0.33 P HETATM 1422 O1A GTP A 8 2.279 -25.026 15.463 1.00 -0.56 O HETATM 1423 O2A GTP A 8 3.891 -23.351 16.279 1.00 -0.56 O HETATM 1424 O5' GTP A 8 4.537 -24.695 14.263 1.00 -0.24 O HETATM 1425 C5' GTP A 8 5.693 -23.939 14.012 1.00 0.11 C HETATM 1426 C4' GTP A 8 6.868 -24.893 13.841 1.00 0.12 C HETATM 1427 O4' GTP A 8 7.977 -24.123 13.436 1.00 -0.33 O HETATM 1428 C1' GTP A 8 9.057 -24.313 14.318 1.00 0.22 C HETATM 1429 C2' GTP A 8 8.717 -25.419 15.303 1.00 0.14 C HETATM 1430 C3' GTP A 8 7.220 -25.565 15.165 1.00 0.12 C HETATM 1431 O3' GTP A 8 6.879 -26.929 15.189 1.00 -0.39 O HETATM 1432 H5 GTP A 8 7.347 -27.383 14.498 1.00 0.21 H HETATM 1433 H4 GTP A 8 6.706 -25.052 15.991 1.00 0.06 H HETATM 1434 O2' GTP A 8 9.381 -26.631 15.013 1.00 -0.38 O HETATM 1435 H7 GTP A 8 9.086 -27.304 15.615 1.00 0.21 H HETATM 1436 H6 GTP A 8 8.980 -25.110 16.325 1.00 0.07 H HETATM 1437 N9 GTP A 8 9.152 -23.111 15.145 1.00 -0.10 N HETATM 1438 C8 GTP A 8 8.123 -22.430 15.748 1.00 0.19 C HETATM 1439 N7 GTP A 8 8.634 -21.391 16.435 1.00 -0.19 N HETATM 1440 C5 GTP A 8 9.974 -21.398 16.274 1.00 0.26 C HETATM 1441 C6 GTP A 8 10.978 -20.567 16.743 1.00 0.26 C HETATM 1442 O6 GTP A 8 10.694 -19.605 17.457 1.00 -0.36 O HETATM 1443 N1 GTP A 8 12.292 -20.834 16.397 1.00 -0.25 N HETATM 1444 C2 GTP A 8 12.609 -21.915 15.592 1.00 0.20 C HETATM 1445 N2 GTP A 8 13.873 -22.172 15.261 1.00 -0.33 N HETATM 1446 H11 GTP A 8 14.094 -22.980 14.661 1.00 0.18 H HETATM 1447 H12 GTP A 8 14.629 -21.563 15.605 1.00 0.18 H HETATM 1448 N3 GTP A 8 11.602 -22.734 15.130 1.00 -0.19 N HETATM 1449 C4 GTP A 8 10.313 -22.477 15.467 1.00 0.33 C HETATM 1450 H13 GTP A 8 11.827 -23.540 14.530 1.00 0.25 H HETATM 1451 H10 GTP A 8 13.021 -20.238 16.733 1.00 0.18 H HETATM 1452 H9 GTP A 8 7.067 -22.688 15.681 1.00 0.18 H HETATM 1453 H8 GTP A 8 9.989 -24.521 13.772 1.00 0.10 H HETATM 1454 H3 GTP A 8 6.628 -25.656 13.085 1.00 0.07 H HETATM 1455 H1 GTP A 8 5.885 -23.262 14.858 1.00 0.06 H HETATM 1456 H2 GTP A 8 5.558 -23.349 13.094 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 144 143 145 1409 CONECT 252 253 257 258 259 CONECT 257 252 CONECT 258 252 CONECT 259 252 CONECT 265 264 267 1409 CONECT 379 380 384 385 386 CONECT 384 379 CONECT 385 379 CONECT 386 379 CONECT 482 483 487 488 489 CONECT 487 482 CONECT 488 482 CONECT 489 482 CONECT 797 798 802 803 804 CONECT 802 797 CONECT 803 797 CONECT 804 797 CONECT 1409 144 265 CONECT 1416 1417 CONECT 1417 1416 1418 1419 1420 CONECT 1418 1417 CONECT 1419 1417 CONECT 1420 1417 1421 CONECT 1421 1420 1422 1423 1424 CONECT 1422 1421 CONECT 1423 1421 CONECT 1424 1421 1425 CONECT 1425 1424 1426 1455 1456 CONECT 1426 1425 1427 1430 1454 CONECT 1427 1426 1428 CONECT 1428 1427 1429 1437 1453 CONECT 1429 1428 1430 1434 1436 CONECT 1430 1426 1429 1431 1433 CONECT 1431 1430 1432 CONECT 1432 1431 CONECT 1433 1430 CONECT 1434 1429 1435 CONECT 1435 1434 CONECT 1436 1429 CONECT 1437 1428 1438 1449 CONECT 1438 1437 1439 1452 CONECT 1439 1438 1440 CONECT 1440 1439 1441 1449 CONECT 1441 1440 1442 1443 CONECT 1442 1441 CONECT 1443 1441 1444 1451 CONECT 1444 1443 1445 1448 CONECT 1445 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 CONECT 1448 1444 1449 1450 CONECT 1449 1437 1440 1448 CONECT 1450 1448 CONECT 1451 1443 CONECT 1452 1438 CONECT 1453 1428 CONECT 1454 1426 CONECT 1455 1425 CONECT 1456 1425 MASTER 0 0 0 0 0 0 0 0 1451 5 64 15 END
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Structure:
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Related entries of code: 6iae
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Entry Information
PDB ID
6iae
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
TbIFT22
Ligand Name
GTP
EC.Number
E.C.-.-.-.-
Resolution
2.49(Å)
Affinity (Kd/Ki/IC50)
Kd=20uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Embo J. Vol. 38: pp. -
Ligand Properties
Formula
C
1
0
H
1
8
N
5
O
1
1
P
2
Molecular Weight
446.224
Exact Mass
446.048
No. of atoms
46
No. of bonds
48
Polar Surface Area
287.32
LOGP Value
-4.43 (
Computed with XLOGP3
)
-3.33 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)[nH+]c2=O
InChI String
InChI=1S/C10H19N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17,19-23,27-28H,1H2,(H3,11,13,14,18)/p+1/t3-,5-,6-,9-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q381A3
Entrez Gene ID
NCBI Entrez Gene ID:
3664573
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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