Browse entries in the PDBbind-CN Database
HEADER 5NNE_COMPLEX COMPND 5NNE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 SER MET ASN PRO PRO PRO PRO GLU THR SER ASN PRO ASN SEQRES 2 A 125 LYS PRO LYS ARG GLN THR ASN GLN LEU GLN TYR LEU LEU SEQRES 3 A 125 ARG VAL VAL LEU LYS THR LEU TRP LYS HIS GLN PHE ALA SEQRES 4 A 125 TRP PRO PHE GLN GLN PRO VAL ASP ALA VAL LYS LEU ASN SEQRES 5 A 125 LEU PRO ASP TYR TYR LYS ILE ILE LYS THR PRO MET ASP SEQRES 6 A 125 MET GLY THR ILE LYS LYS ARG LEU GLU ASN ASN TYR TYR SEQRES 7 A 125 TRP ASN ALA GLN GLU CYS ILE GLN ASP PHE ASN THR MET SEQRES 8 A 125 PHE THR ASN CYS TYR ILE TYR ASN LYS PRO GLY ASP ASP SEQRES 9 A 125 ILE VAL LEU MET ALA GLU ALA LEU GLU LYS LEU PHE LEU SEQRES 10 A 125 GLN LYS ILE ASN GLU LEU PRO THR HET GLY A 268 164 ATOM 1 N SER A 42 34.403 12.090 4.367 1.00 29.77 N ATOM 2 CA SER A 42 34.763 12.581 5.703 1.00 22.70 C ATOM 3 C SER A 42 35.304 13.987 5.619 1.00 19.86 C ATOM 4 O SER A 42 36.004 14.326 4.667 1.00 20.70 O ATOM 5 CB SER A 42 35.812 11.648 6.298 1.00 30.20 C ATOM 6 OG SER A 42 36.456 12.176 7.413 1.00 24.35 O ATOM 7 HG SER A 42 37.121 11.524 7.748 1.00 0.00 H ATOM 8 HN3 SER A 42 35.247 12.093 3.759 1.00 0.00 H ATOM 9 HN2 SER A 42 33.676 12.709 3.956 1.00 0.00 H ATOM 10 HN1 SER A 42 34.033 11.121 4.443 1.00 0.00 H ATOM 11 N MET A 43 35.045 14.786 6.652 1.00 17.35 N ATOM 12 CA MET A 43 35.604 16.126 6.733 1.00 16.35 C ATOM 13 C MET A 43 37.069 16.148 7.231 1.00 14.72 C ATOM 14 O MET A 43 37.704 17.186 7.181 1.00 14.34 O ATOM 15 CB MET A 43 34.727 17.033 7.544 1.00 16.56 C ATOM 16 CG MET A 43 33.337 17.230 6.969 1.00 21.96 C ATOM 17 SD MET A 43 33.342 18.065 5.360 1.00 23.66 S ATOM 18 CE MET A 43 33.146 16.738 4.172 1.00 36.11 C ATOM 19 H MET A 43 34.430 14.444 7.418 1.00 0.00 H ATOM 20 N ASN A 44 37.596 15.017 7.680 1.00 15.55 N ATOM 21 CA ASN A 44 39.025 14.923 7.950 1.00 15.86 C ATOM 22 C ASN A 44 39.773 14.975 6.633 1.00 14.35 C ATOM 23 O ASN A 44 39.272 14.562 5.583 1.00 15.78 O ATOM 24 CB ASN A 44 39.357 13.575 8.622 1.00 17.03 C ATOM 25 CG ASN A 44 38.847 13.464 10.046 1.00 16.52 C ATOM 26 OD1 ASN A 44 39.026 14.371 10.866 1.00 18.60 O ATOM 27 ND2 ASN A 44 38.263 12.296 10.375 1.00 19.79 N ATOM 28 HD22 ASN A 44 38.132 11.559 9.653 1.00 0.00 H ATOM 29 HD21 ASN A 44 37.943 12.131 11.351 1.00 0.00 H ATOM 30 H ASN A 44 36.985 14.191 7.841 1.00 0.00 H ATOM 31 N PRO A 45 41.055 15.381 6.646 1.00 14.82 N ATOM 32 CA PRO A 45 41.867 15.279 5.450 1.00 14.95 C ATOM 33 C PRO A 45 42.107 13.829 5.100 1.00 15.36 C ATOM 34 O PRO A 45 42.059 12.937 5.969 1.00 16.27 O ATOM 35 CB PRO A 45 43.191 15.952 5.849 1.00 15.86 C ATOM 36 CG PRO A 45 43.245 15.822 7.329 1.00 16.70 C ATOM 37 CD PRO A 45 41.831 15.892 7.781 1.00 15.49 C ATOM 38 N PRO A 46 42.386 13.566 3.821 1.00 17.64 N ATOM 39 CA PRO A 46 42.821 12.235 3.485 1.00 17.87 C ATOM 40 C PRO A 46 44.152 11.945 4.209 1.00 15.60 C ATOM 41 O PRO A 46 44.929 12.852 4.427 1.00 18.42 O ATOM 42 CB PRO A 46 43.094 12.330 2.004 1.00 21.92 C ATOM 43 CG PRO A 46 43.443 13.757 1.739 1.00 23.13 C ATOM 44 CD PRO A 46 42.512 14.483 2.673 1.00 19.86 C ATOM 45 N PRO A 47 44.401 10.698 4.550 1.00 18.12 N ATOM 46 CA PRO A 47 45.634 10.358 5.235 1.00 16.98 C ATOM 47 C PRO A 47 46.819 10.555 4.290 1.00 17.88 C ATOM 48 O PRO A 47 46.655 10.556 3.077 1.00 19.54 O ATOM 49 CB PRO A 47 45.428 8.895 5.605 1.00 22.59 C ATOM 50 CG PRO A 47 44.555 8.369 4.483 1.00 26.40 C ATOM 51 CD PRO A 47 43.625 9.514 4.162 1.00 22.69 C ATOM 52 N PRO A 48 48.032 10.723 4.811 1.00 16.40 N ATOM 53 CA PRO A 48 49.184 10.875 3.933 1.00 17.22 C ATOM 54 C PRO A 48 49.341 9.638 3.049 1.00 16.40 C ATOM 55 O PRO A 48 49.030 8.538 3.442 1.00 17.01 O ATOM 56 CB PRO A 48 50.332 11.048 4.927 1.00 18.43 C ATOM 57 CG PRO A 48 49.719 11.500 6.212 1.00 19.30 C ATOM 58 CD PRO A 48 48.388 10.808 6.243 1.00 17.16 C ATOM 59 N GLU A 49 49.894 9.812 1.853 1.00 17.27 N ATOM 60 CA GLU A 49 50.213 8.687 0.954 1.00 16.06 C ATOM 61 C GLU A 49 51.202 7.734 1.621 1.00 14.12 C ATOM 62 O GLU A 49 52.075 8.159 2.342 1.00 15.03 O ATOM 63 CB GLU A 49 50.829 9.230 -0.318 1.00 18.79 C ATOM 64 CG GLU A 49 49.884 9.987 -1.237 1.00 25.38 C ATOM 65 CD GLU A 49 48.898 9.114 -1.977 1.00 38.34 C ATOM 66 OE1 GLU A 49 49.170 7.928 -2.224 1.00 41.18 O ATOM 67 OE2 GLU A 49 47.824 9.658 -2.366 1.00 52.59 O ATOM 68 H GLU A 49 50.110 10.779 1.539 1.00 0.00 H ATOM 69 N THR A 50 51.055 6.463 1.306 1.00 13.83 N ATOM 70 CA THR A 50 51.907 5.428 1.900 1.00 13.59 C ATOM 71 C THR A 50 52.580 4.472 0.940 1.00 14.16 C ATOM 72 O THR A 50 53.364 3.638 1.362 1.00 14.42 O ATOM 73 CB THR A 50 51.160 4.622 2.958 1.00 14.84 C ATOM 74 OG1 THR A 50 50.010 4.024 2.342 1.00 20.16 O ATOM 75 CG2 THR A 50 50.776 5.456 4.158 1.00 15.17 C ATOM 76 HG1 THR A 50 49.424 4.735 1.980 1.00 0.00 H ATOM 77 H THR A 50 50.320 6.189 0.623 1.00 0.00 H ATOM 78 N SER A 51 52.284 4.587 -0.336 1.00 14.66 N ATOM 79 CA SER A 51 52.973 3.796 -1.346 1.00 15.70 C ATOM 80 C SER A 51 53.276 4.622 -2.579 1.00 14.46 C ATOM 81 O SER A 51 52.566 5.569 -2.874 1.00 19.32 O ATOM 82 CB SER A 51 52.233 2.508 -1.636 1.00 24.47 C ATOM 83 OG SER A 51 51.048 2.815 -2.259 1.00 37.34 O ATOM 84 HG SER A 51 51.236 3.295 -3.105 1.00 0.00 H ATOM 85 H SER A 51 51.544 5.256 -0.630 1.00 0.00 H ATOM 86 N ASN A 52 54.330 4.246 -3.290 1.00 12.55 N ATOM 87 CA ASN A 52 54.787 4.913 -4.505 1.00 12.18 C ATOM 88 C ASN A 52 54.846 3.836 -5.605 1.00 13.77 C ATOM 89 O ASN A 52 55.765 3.041 -5.633 1.00 15.19 O ATOM 90 CB ASN A 52 56.147 5.543 -4.217 1.00 12.34 C ATOM 91 CG ASN A 52 56.693 6.321 -5.404 1.00 12.84 C ATOM 92 OD1 ASN A 52 56.402 5.982 -6.568 1.00 14.47 O ATOM 93 ND2 ASN A 52 57.526 7.320 -5.157 1.00 13.38 N ATOM 94 HD22 ASN A 52 57.750 7.580 -4.175 1.00 0.00 H ATOM 95 HD21 ASN A 52 57.957 7.845 -5.945 1.00 0.00 H ATOM 96 H ASN A 52 54.868 3.419 -2.959 1.00 0.00 H ATOM 97 N PRO A 53 53.889 3.853 -6.539 1.00 13.62 N ATOM 98 CA PRO A 53 53.679 2.698 -7.456 1.00 14.96 C ATOM 99 C PRO A 53 54.879 2.277 -8.260 1.00 16.09 C ATOM 100 O PRO A 53 55.080 1.064 -8.547 1.00 19.07 O ATOM 101 CB PRO A 53 52.501 3.149 -8.334 1.00 16.78 C ATOM 102 CG PRO A 53 51.706 3.875 -7.338 1.00 19.98 C ATOM 103 CD PRO A 53 52.688 4.686 -6.507 1.00 17.09 C ATOM 104 N ASN A 54 55.671 3.235 -8.714 1.00 13.42 N ATOM 105 CA ASN A 54 56.750 2.957 -9.636 1.00 14.55 C ATOM 106 C ASN A 54 58.142 3.023 -8.988 1.00 14.47 C ATOM 107 O ASN A 54 59.147 2.821 -9.688 1.00 15.42 O ATOM 108 CB ASN A 54 56.654 3.886 -10.850 1.00 15.32 C ATOM 109 CG ASN A 54 55.361 3.698 -11.621 1.00 15.31 C ATOM 110 OD1 ASN A 54 54.913 2.583 -11.888 1.00 17.68 O ATOM 111 ND2 ASN A 54 54.758 4.794 -11.979 1.00 22.21 N ATOM 112 HD22 ASN A 54 55.169 5.717 -11.734 1.00 0.00 H ATOM 113 HD21 ASN A 54 53.865 4.747 -12.510 1.00 0.00 H ATOM 114 H ASN A 54 55.513 4.214 -8.399 1.00 0.00 H ATOM 115 N LYS A 55 58.216 3.308 -7.692 1.00 14.35 N ATOM 116 CA LYS A 55 59.503 3.453 -7.030 1.00 12.85 C ATOM 117 C LYS A 55 60.177 2.093 -6.864 1.00 13.04 C ATOM 118 O LYS A 55 59.527 1.156 -6.412 1.00 14.49 O ATOM 119 CB LYS A 55 59.328 4.090 -5.660 1.00 12.96 C ATOM 120 CG LYS A 55 60.571 4.140 -4.782 1.00 11.68 C ATOM 121 CD LYS A 55 60.333 4.586 -3.354 1.00 12.07 C ATOM 122 CE LYS A 55 61.573 4.445 -2.526 1.00 12.07 C ATOM 123 NZ LYS A 55 61.955 3.014 -2.294 1.00 11.58 N ATOM 124 HZ1 LYS A 55 61.182 2.526 -1.797 1.00 0.00 H ATOM 125 HZ2 LYS A 55 62.128 2.550 -3.209 1.00 0.00 H ATOM 126 HZ3 LYS A 55 62.819 2.976 -1.716 1.00 0.00 H ATOM 127 H LYS A 55 57.341 3.429 -7.143 1.00 0.00 H ATOM 128 N PRO A 56 61.492 1.968 -7.122 1.00 12.45 N ATOM 129 CA PRO A 56 62.143 0.692 -6.877 1.00 12.60 C ATOM 130 C PRO A 56 62.176 0.337 -5.416 1.00 12.02 C ATOM 131 O PRO A 56 62.298 1.212 -4.541 1.00 12.86 O ATOM 132 CB PRO A 56 63.577 0.929 -7.371 1.00 14.72 C ATOM 133 CG PRO A 56 63.770 2.406 -7.205 1.00 15.31 C ATOM 134 CD PRO A 56 62.436 3.000 -7.553 1.00 13.41 C ATOM 135 N LYS A 57 62.220 -0.948 -5.129 1.00 12.42 N ATOM 136 CA LYS A 57 62.457 -1.439 -3.779 1.00 12.51 C ATOM 137 C LYS A 57 63.936 -1.421 -3.473 1.00 13.73 C ATOM 138 O LYS A 57 64.732 -2.040 -4.178 1.00 17.06 O ATOM 139 CB LYS A 57 61.916 -2.845 -3.631 1.00 14.47 C ATOM 140 CG LYS A 57 60.442 -2.970 -3.939 1.00 14.54 C ATOM 141 CD LYS A 57 59.587 -2.105 -3.066 1.00 14.43 C ATOM 142 CE LYS A 57 58.125 -2.289 -3.283 1.00 16.53 C ATOM 143 NZ LYS A 57 57.319 -1.343 -2.526 1.00 17.83 N ATOM 144 HZ1 LYS A 57 57.508 -1.464 -1.510 1.00 0.00 H ATOM 145 HZ2 LYS A 57 57.564 -0.374 -2.813 1.00 0.00 H ATOM 146 HZ3 LYS A 57 56.312 -1.518 -2.716 1.00 0.00 H ATOM 147 H LYS A 57 62.080 -1.637 -5.895 1.00 0.00 H ATOM 148 N ARG A 58 64.321 -0.664 -2.454 1.00 12.56 N ATOM 149 CA ARG A 58 65.707 -0.480 -2.085 1.00 14.05 C ATOM 150 C ARG A 58 65.768 -0.350 -0.586 1.00 12.88 C ATOM 151 O ARG A 58 65.203 0.590 -0.007 1.00 12.71 O ATOM 152 CB ARG A 58 66.274 0.783 -2.726 1.00 15.41 C ATOM 153 CG ARG A 58 66.448 0.721 -4.205 1.00 21.16 C ATOM 154 CD ARG A 58 67.405 1.771 -4.716 1.00 24.66 C ATOM 155 NE ARG A 58 67.445 1.641 -6.144 1.00 25.53 N ATOM 156 CZ ARG A 58 67.264 2.626 -7.001 1.00 22.75 C ATOM 157 NH1 ARG A 58 67.059 3.873 -6.585 1.00 36.24 N ATOM 158 NH2 ARG A 58 67.360 2.347 -8.311 1.00 27.47 N ATOM 159 HE ARG A 58 67.632 0.695 -6.534 1.00 0.00 H ATOM 160 HH12 ARG A 58 66.918 4.636 -7.278 1.00 0.00 H ATOM 161 HH11 ARG A 58 67.039 4.085 -5.567 1.00 0.00 H ATOM 162 HH22 ARG A 58 67.223 3.101 -9.015 1.00 0.00 H ATOM 163 HH21 ARG A 58 67.571 1.377 -8.622 1.00 0.00 H ATOM 164 H ARG A 58 63.591 -0.180 -1.894 1.00 0.00 H ATOM 165 N GLN A 59 66.487 -1.251 0.053 1.00 15.23 N ATOM 166 CA GLN A 59 66.753 -1.166 1.479 1.00 14.85 C ATOM 167 C GLN A 59 68.058 -0.468 1.747 1.00 14.68 C ATOM 168 O GLN A 59 68.940 -0.416 0.889 1.00 16.08 O ATOM 169 CB GLN A 59 66.827 -2.562 2.124 1.00 17.56 C ATOM 170 CG GLN A 59 65.458 -3.150 2.346 1.00 20.71 C ATOM 171 CD GLN A 59 64.579 -2.316 3.280 1.00 24.81 C ATOM 172 OE1 GLN A 59 65.069 -1.513 4.164 1.00 23.71 O ATOM 173 NE2 GLN A 59 63.275 -2.422 3.047 1.00 29.19 N ATOM 174 HE22 GLN A 59 62.928 -3.084 2.324 1.00 0.00 H ATOM 175 HE21 GLN A 59 62.601 -1.843 3.588 1.00 0.00 H ATOM 176 H GLN A 59 66.878 -2.052 -0.483 1.00 0.00 H ATOM 177 N THR A 60 68.190 0.055 2.950 1.00 13.71 N ATOM 178 CA THR A 60 69.457 0.487 3.485 1.00 13.90 C ATOM 179 C THR A 60 69.566 -0.034 4.915 1.00 12.68 C ATOM 180 O THR A 60 68.534 -0.324 5.559 1.00 12.62 O ATOM 181 CB THR A 60 69.610 2.034 3.435 1.00 14.94 C ATOM 182 OG1 THR A 60 68.712 2.596 4.393 1.00 14.09 O ATOM 183 CG2 THR A 60 69.359 2.620 2.034 1.00 18.45 C ATOM 184 HG1 THR A 60 68.792 3.583 4.379 1.00 0.00 H ATOM 185 H THR A 60 67.340 0.161 3.541 1.00 0.00 H ATOM 186 N ASN A 61 70.778 -0.072 5.448 1.00 12.77 N ATOM 187 CA ASN A 61 70.960 -0.428 6.833 1.00 13.10 C ATOM 188 C ASN A 61 70.132 0.455 7.761 1.00 11.96 C ATOM 189 O ASN A 61 69.524 -0.012 8.716 1.00 11.95 O ATOM 190 CB ASN A 61 72.449 -0.417 7.255 1.00 14.22 C ATOM 191 CG ASN A 61 73.292 -1.420 6.513 1.00 15.57 C ATOM 192 OD1 ASN A 61 74.369 -1.079 6.066 1.00 23.23 O ATOM 193 ND2 ASN A 61 72.871 -2.636 6.432 1.00 14.72 N ATOM 194 HD22 ASN A 61 71.943 -2.892 6.826 1.00 0.00 H ATOM 195 HD21 ASN A 61 73.459 -3.360 5.973 1.00 0.00 H ATOM 196 H ASN A 61 71.606 0.157 4.862 1.00 0.00 H ATOM 197 N GLN A 62 70.137 1.753 7.467 1.00 13.06 N ATOM 198 CA GLN A 62 69.395 2.694 8.293 1.00 12.83 C ATOM 199 C GLN A 62 67.886 2.485 8.199 1.00 11.53 C ATOM 200 O GLN A 62 67.192 2.552 9.196 1.00 11.94 O ATOM 201 CB GLN A 62 69.758 4.144 7.955 1.00 15.73 C ATOM 202 CG GLN A 62 71.207 4.503 8.233 1.00 19.58 C ATOM 203 CD GLN A 62 71.525 5.960 7.889 1.00 24.02 C ATOM 204 OE1 GLN A 62 70.850 6.589 7.039 1.00 27.65 O ATOM 205 NE2 GLN A 62 72.569 6.496 8.524 1.00 27.36 N ATOM 206 HE22 GLN A 62 73.098 5.934 9.221 1.00 0.00 H ATOM 207 HE21 GLN A 62 72.854 7.476 8.322 1.00 0.00 H ATOM 208 H GLN A 62 70.673 2.096 6.644 1.00 0.00 H ATOM 209 N LEU A 63 67.355 2.252 6.991 1.00 11.72 N ATOM 210 CA LEU A 63 65.913 1.985 6.875 1.00 11.06 C ATOM 211 C LEU A 63 65.512 0.671 7.562 1.00 10.88 C ATOM 212 O LEU A 63 64.452 0.577 8.162 1.00 10.92 O ATOM 213 CB LEU A 63 65.450 1.986 5.412 1.00 11.59 C ATOM 214 CG LEU A 63 65.352 3.375 4.775 1.00 12.40 C ATOM 215 CD1 LEU A 63 65.198 3.215 3.259 1.00 15.38 C ATOM 216 CD2 LEU A 63 64.177 4.149 5.327 1.00 12.32 C ATOM 217 H LEU A 63 67.957 2.260 6.143 1.00 0.00 H ATOM 218 N GLN A 64 66.373 -0.352 7.455 1.00 10.95 N ATOM 219 CA GLN A 64 66.095 -1.618 8.180 1.00 10.67 C ATOM 220 C GLN A 64 66.039 -1.361 9.693 1.00 10.45 C ATOM 221 O GLN A 64 65.172 -1.864 10.401 1.00 11.36 O ATOM 222 CB GLN A 64 67.197 -2.625 7.871 1.00 11.46 C ATOM 223 CG GLN A 64 67.148 -3.207 6.469 1.00 11.48 C ATOM 224 CD GLN A 64 66.147 -4.317 6.287 1.00 12.42 C ATOM 225 OE1 GLN A 64 65.246 -4.508 7.095 1.00 14.60 O ATOM 226 NE2 GLN A 64 66.368 -5.128 5.257 1.00 14.66 N ATOM 227 HE22 GLN A 64 67.145 -4.928 4.595 1.00 0.00 H ATOM 228 HE21 GLN A 64 65.764 -5.963 5.113 1.00 0.00 H ATOM 229 H GLN A 64 67.228 -0.259 6.870 1.00 0.00 H ATOM 230 N TYR A 65 66.978 -0.563 10.188 1.00 10.94 N ATOM 231 CA TYR A 65 66.996 -0.184 11.606 1.00 11.28 C ATOM 232 C TYR A 65 65.742 0.593 12.029 1.00 11.04 C ATOM 233 O TYR A 65 65.143 0.349 13.076 1.00 12.00 O ATOM 234 CB TYR A 65 68.271 0.589 11.885 1.00 12.21 C ATOM 235 CG TYR A 65 68.479 0.970 13.300 1.00 13.14 C ATOM 236 CD1 TYR A 65 69.122 0.121 14.184 1.00 16.48 C ATOM 237 CD2 TYR A 65 68.138 2.239 13.771 1.00 13.87 C ATOM 238 CE1 TYR A 65 69.366 0.510 15.503 1.00 17.21 C ATOM 239 CE2 TYR A 65 68.411 2.640 15.055 1.00 15.57 C ATOM 240 CZ TYR A 65 69.023 1.772 15.929 1.00 16.96 C ATOM 241 OH TYR A 65 69.289 2.180 17.216 1.00 21.74 O ATOM 242 HH TYR A 65 69.889 2.967 17.194 1.00 0.00 H ATOM 243 H TYR A 65 67.719 -0.198 9.556 1.00 0.00 H ATOM 244 N LEU A 66 65.361 1.540 11.170 1.00 11.00 N ATOM 245 CA LEU A 66 64.161 2.328 11.465 1.00 11.28 C ATOM 246 C LEU A 66 62.918 1.474 11.581 1.00 10.58 C ATOM 247 O LEU A 66 62.085 1.743 12.432 1.00 12.23 O ATOM 248 CB LEU A 66 63.966 3.449 10.463 1.00 11.63 C ATOM 249 CG LEU A 66 64.872 4.656 10.744 1.00 14.09 C ATOM 250 CD1 LEU A 66 64.995 5.457 9.501 1.00 17.15 C ATOM 251 CD2 LEU A 66 64.360 5.484 11.911 1.00 17.94 C ATOM 252 H LEU A 66 65.908 1.717 10.303 1.00 0.00 H ATOM 253 N LEU A 67 62.766 0.463 10.734 1.00 10.55 N ATOM 254 CA LEU A 67 61.604 -0.412 10.838 1.00 10.80 C ATOM 255 C LEU A 67 61.728 -1.411 11.994 1.00 11.41 C ATOM 256 O LEU A 67 60.853 -1.520 12.838 1.00 13.25 O ATOM 257 CB LEU A 67 61.388 -1.175 9.539 1.00 12.31 C ATOM 258 CG LEU A 67 60.181 -2.142 9.545 1.00 15.22 C ATOM 259 CD1 LEU A 67 58.888 -1.462 9.978 1.00 15.41 C ATOM 260 CD2 LEU A 67 60.056 -2.760 8.162 1.00 20.12 C ATOM 261 H LEU A 67 63.477 0.295 9.994 1.00 0.00 H ATOM 262 N ARG A 68 62.834 -2.152 12.000 1.00 11.15 N ATOM 263 CA ARG A 68 62.944 -3.331 12.820 1.00 11.61 C ATOM 264 C ARG A 68 63.362 -3.052 14.240 1.00 13.53 C ATOM 265 O ARG A 68 63.182 -3.899 15.111 1.00 16.72 O ATOM 266 CB ARG A 68 63.916 -4.325 12.188 1.00 11.52 C ATOM 267 CG ARG A 68 63.450 -4.809 10.816 1.00 12.17 C ATOM 268 CD ARG A 68 64.406 -5.804 10.213 1.00 13.61 C ATOM 269 NE ARG A 68 64.470 -7.025 11.038 1.00 13.19 N ATOM 270 CZ ARG A 68 63.860 -8.182 10.766 1.00 13.07 C ATOM 271 NH1 ARG A 68 63.160 -8.354 9.680 1.00 14.33 N ATOM 272 NH2 ARG A 68 64.010 -9.190 11.611 1.00 13.65 N ATOM 273 HE ARG A 68 65.040 -6.981 11.907 1.00 0.00 H ATOM 274 HH12 ARG A 68 62.698 -9.268 9.499 1.00 0.00 H ATOM 275 HH11 ARG A 68 63.064 -7.577 8.995 1.00 0.00 H ATOM 276 HH22 ARG A 68 63.545 -10.101 11.422 1.00 0.00 H ATOM 277 HH21 ARG A 68 64.593 -9.071 12.464 1.00 0.00 H ATOM 278 H ARG A 68 63.636 -1.873 11.399 1.00 0.00 H ATOM 279 N VAL A 69 63.969 -1.890 14.494 1.00 12.39 N ATOM 280 CA VAL A 69 64.373 -1.478 15.826 1.00 13.68 C ATOM 281 C VAL A 69 63.524 -0.275 16.293 1.00 13.28 C ATOM 282 O VAL A 69 62.842 -0.360 17.318 1.00 16.30 O ATOM 283 CB VAL A 69 65.883 -1.162 15.909 1.00 15.26 C ATOM 284 CG1 VAL A 69 66.239 -0.640 17.296 1.00 17.58 C ATOM 285 CG2 VAL A 69 66.712 -2.410 15.555 1.00 16.67 C ATOM 286 H VAL A 69 64.162 -1.249 13.698 1.00 0.00 H ATOM 287 N VAL A 70 63.554 0.833 15.562 1.00 13.23 N ATOM 288 CA VAL A 70 62.932 2.062 16.056 1.00 13.30 C ATOM 289 C VAL A 70 61.396 1.973 16.085 1.00 12.58 C ATOM 290 O VAL A 70 60.778 2.111 17.152 1.00 13.43 O ATOM 291 CB VAL A 70 63.406 3.274 15.252 1.00 13.07 C ATOM 292 CG1 VAL A 70 62.780 4.582 15.779 1.00 14.69 C ATOM 293 CG2 VAL A 70 64.934 3.413 15.312 1.00 15.13 C ATOM 294 H VAL A 70 64.022 0.827 14.633 1.00 0.00 H ATOM 295 N LEU A 71 60.803 1.731 14.937 1.00 12.76 N ATOM 296 CA LEU A 71 59.347 1.650 14.896 1.00 13.17 C ATOM 297 C LEU A 71 58.842 0.481 15.774 1.00 13.91 C ATOM 298 O LEU A 71 57.881 0.654 16.500 1.00 15.11 O ATOM 299 CB LEU A 71 58.903 1.529 13.438 1.00 14.10 C ATOM 300 CG LEU A 71 57.385 1.500 13.296 1.00 18.58 C ATOM 301 CD1 LEU A 71 56.676 2.774 13.653 1.00 18.63 C ATOM 302 CD2 LEU A 71 57.003 0.973 11.948 1.00 22.44 C ATOM 303 H LEU A 71 61.363 1.599 14.071 1.00 0.00 H ATOM 304 N LYS A 72 59.501 -0.666 15.724 1.00 15.77 N ATOM 305 CA LYS A 72 59.126 -1.828 16.545 1.00 17.97 C ATOM 306 C LYS A 72 59.043 -1.466 18.002 1.00 16.66 C ATOM 307 O LYS A 72 58.094 -1.817 18.703 1.00 18.39 O ATOM 308 CB LYS A 72 60.156 -2.984 16.346 1.00 22.27 C ATOM 309 CG LYS A 72 60.023 -4.258 17.240 1.00 23.52 C ATOM 310 CD LYS A 72 60.907 -5.435 16.793 1.00 28.44 C ATOM 311 CE LYS A 72 60.705 -6.775 17.524 1.00 32.62 C ATOM 312 NZ LYS A 72 61.652 -6.806 18.667 1.00 46.42 N ATOM 313 HZ1 LYS A 72 62.626 -6.729 18.311 1.00 0.00 H ATOM 314 HZ2 LYS A 72 61.450 -6.009 19.304 1.00 0.00 H ATOM 315 HZ3 LYS A 72 61.541 -7.702 19.184 1.00 0.00 H ATOM 316 H LYS A 72 60.314 -0.749 15.081 1.00 0.00 H ATOM 317 N THR A 73 60.047 -0.764 18.508 1.00 14.79 N ATOM 318 CA THR A 73 60.095 -0.430 19.922 1.00 15.93 C ATOM 319 C THR A 73 59.021 0.591 20.281 1.00 13.69 C ATOM 320 O THR A 73 58.349 0.491 21.280 1.00 15.30 O ATOM 321 CB THR A 73 61.491 0.157 20.255 1.00 18.42 C ATOM 322 OG1 THR A 73 62.482 -0.841 19.965 1.00 22.12 O ATOM 323 CG2 THR A 73 61.576 0.555 21.707 1.00 22.57 C ATOM 324 HG1 THR A 73 62.435 -1.082 19.006 1.00 0.00 H ATOM 325 H THR A 73 60.814 -0.446 17.882 1.00 0.00 H ATOM 326 N LEU A 74 58.866 1.623 19.453 1.00 12.29 N ATOM 327 CA LEU A 74 57.869 2.672 19.755 1.00 12.11 C ATOM 328 C LEU A 74 56.437 2.145 19.644 1.00 12.65 C ATOM 329 O LEU A 74 55.580 2.512 20.479 1.00 13.30 O ATOM 330 CB LEU A 74 58.044 3.875 18.833 1.00 12.00 C ATOM 331 CG LEU A 74 59.371 4.561 19.027 1.00 14.84 C ATOM 332 CD1 LEU A 74 59.468 5.660 18.000 1.00 19.19 C ATOM 333 CD2 LEU A 74 59.479 5.196 20.368 1.00 16.89 C ATOM 334 H LEU A 74 59.447 1.691 18.593 1.00 0.00 H ATOM 335 N TRP A 75 56.172 1.287 18.658 1.00 13.54 N ATOM 336 CA TRP A 75 54.795 0.825 18.477 1.00 13.39 C ATOM 337 C TRP A 75 54.254 0.088 19.687 1.00 15.38 C ATOM 338 O TRP A 75 53.067 0.154 19.983 1.00 15.22 O ATOM 339 CB TRP A 75 54.716 -0.077 17.255 1.00 15.04 C ATOM 340 CG TRP A 75 53.336 -0.384 16.841 1.00 15.42 C ATOM 341 CD1 TRP A 75 52.534 -1.440 17.266 1.00 15.54 C ATOM 342 CD2 TRP A 75 52.520 0.387 15.971 1.00 12.89 C ATOM 343 NE1 TRP A 75 51.315 -1.373 16.676 1.00 16.41 N ATOM 344 CE2 TRP A 75 51.279 -0.264 15.870 1.00 13.94 C ATOM 345 CE3 TRP A 75 52.727 1.582 15.251 1.00 12.46 C ATOM 346 CZ2 TRP A 75 50.260 0.220 15.064 1.00 15.17 C ATOM 347 CZ3 TRP A 75 51.710 2.058 14.506 1.00 12.97 C ATOM 348 CH2 TRP A 75 50.497 1.383 14.395 1.00 13.08 C ATOM 349 HE1 TRP A 75 50.537 -2.050 16.812 1.00 0.00 H ATOM 350 H TRP A 75 56.930 0.952 18.029 1.00 0.00 H ATOM 351 N LYS A 76 55.129 -0.652 20.341 1.00 14.70 N ATOM 352 CA LYS A 76 54.712 -1.470 21.485 1.00 16.53 C ATOM 353 C LYS A 76 54.799 -0.777 22.848 1.00 15.84 C ATOM 354 O LYS A 76 54.419 -1.351 23.869 1.00 17.56 O ATOM 355 CB LYS A 76 55.482 -2.786 21.465 1.00 21.88 C ATOM 356 CG LYS A 76 55.334 -3.548 20.155 1.00 23.53 C ATOM 357 CD LYS A 76 53.921 -4.044 19.814 1.00 28.58 C ATOM 358 CE LYS A 76 53.796 -4.717 18.454 1.00 22.22 C ATOM 359 NZ LYS A 76 52.496 -5.239 17.867 1.00 21.08 N ATOM 360 HZ1 LYS A 76 52.100 -5.967 18.496 1.00 0.00 H ATOM 361 HZ2 LYS A 76 51.820 -4.455 17.774 1.00 0.00 H ATOM 362 HZ3 LYS A 76 52.681 -5.652 16.931 1.00 0.00 H ATOM 363 H LYS A 76 56.125 -0.655 20.042 1.00 0.00 H ATOM 364 N HIS A 77 55.235 0.477 22.873 1.00 14.78 N ATOM 365 CA HIS A 77 55.362 1.194 24.113 1.00 15.10 C ATOM 366 C HIS A 77 53.954 1.445 24.622 1.00 14.48 C ATOM 367 O HIS A 77 53.001 1.684 23.819 1.00 13.78 O ATOM 368 CB HIS A 77 56.086 2.508 23.838 1.00 14.58 C ATOM 369 CG HIS A 77 56.479 3.247 25.058 1.00 14.89 C ATOM 370 ND1 HIS A 77 55.591 4.017 25.777 1.00 14.89 N ATOM 371 CD2 HIS A 77 57.685 3.382 25.655 1.00 17.56 C ATOM 372 CE1 HIS A 77 56.239 4.597 26.773 1.00 16.83 C ATOM 373 NE2 HIS A 77 57.509 4.230 26.725 1.00 19.16 N ATOM 374 H HIS A 77 55.489 0.948 21.981 1.00 0.00 H ATOM 375 N GLN A 78 53.797 1.456 25.929 1.00 14.92 N ATOM 376 CA GLN A 78 52.485 1.675 26.500 1.00 14.86 C ATOM 377 C GLN A 78 51.844 3.013 26.129 1.00 15.01 C ATOM 378 O GLN A 78 50.637 3.140 26.232 1.00 15.92 O ATOM 379 CB GLN A 78 52.543 1.534 28.018 1.00 16.67 C ATOM 380 CG GLN A 78 53.414 2.541 28.764 1.00 21.58 C ATOM 381 CD GLN A 78 54.838 2.084 28.960 1.00 31.00 C ATOM 382 OE1 GLN A 78 55.409 1.295 28.152 1.00 31.30 O ATOM 383 NE2 GLN A 78 55.437 2.572 30.047 1.00 35.65 N ATOM 384 HE22 GLN A 78 54.922 3.218 30.679 1.00 0.00 H ATOM 385 HE21 GLN A 78 56.419 2.307 30.263 1.00 0.00 H ATOM 386 H GLN A 78 54.616 1.307 26.552 1.00 0.00 H ATOM 387 N PHE A 79 52.649 4.010 25.755 1.00 13.55 N ATOM 388 CA PHE A 79 52.106 5.306 25.355 1.00 13.54 C ATOM 389 C PHE A 79 51.935 5.506 23.850 1.00 12.67 C ATOM 390 O PHE A 79 51.610 6.612 23.419 1.00 13.08 O ATOM 391 CB PHE A 79 53.019 6.415 25.874 1.00 14.99 C ATOM 392 CG PHE A 79 53.136 6.539 27.368 1.00 16.91 C ATOM 393 CD1 PHE A 79 52.194 6.023 28.266 1.00 17.19 C ATOM 394 CD2 PHE A 79 54.214 7.259 27.894 1.00 19.02 C ATOM 395 CE1 PHE A 79 52.360 6.192 29.630 1.00 22.45 C ATOM 396 CE2 PHE A 79 54.367 7.446 29.237 1.00 22.28 C ATOM 397 CZ PHE A 79 53.441 6.904 30.111 1.00 23.73 C ATOM 398 H PHE A 79 53.678 3.862 25.748 1.00 0.00 H ATOM 399 N ALA A 80 52.044 4.445 23.075 1.00 12.42 N ATOM 400 CA ALA A 80 51.979 4.584 21.625 1.00 11.62 C ATOM 401 C ALA A 80 50.612 4.901 21.072 1.00 10.93 C ATOM 402 O ALA A 80 50.497 5.515 20.005 1.00 11.43 O ATOM 403 CB ALA A 80 52.488 3.337 20.926 1.00 14.13 C ATOM 404 H ALA A 80 52.177 3.505 23.500 1.00 0.00 H ATOM 405 N TRP A 81 49.568 4.424 21.739 1.00 11.44 N ATOM 406 CA TRP A 81 48.250 4.361 21.114 1.00 11.45 C ATOM 407 C TRP A 81 47.697 5.686 20.558 1.00 11.18 C ATOM 408 O TRP A 81 47.082 5.617 19.487 1.00 11.74 O ATOM 409 CB TRP A 81 47.245 3.638 22.056 1.00 12.52 C ATOM 410 CG TRP A 81 47.027 4.261 23.349 1.00 12.98 C ATOM 411 CD1 TRP A 81 47.795 4.154 24.495 1.00 14.05 C ATOM 412 CD2 TRP A 81 46.026 5.212 23.624 1.00 13.99 C ATOM 413 NE1 TRP A 81 47.291 4.937 25.458 1.00 14.18 N ATOM 414 CE2 TRP A 81 46.191 5.602 24.971 1.00 14.62 C ATOM 415 CE3 TRP A 81 44.951 5.741 22.889 1.00 15.28 C ATOM 416 CZ2 TRP A 81 45.337 6.518 25.589 1.00 17.51 C ATOM 417 CZ3 TRP A 81 44.099 6.662 23.516 1.00 19.54 C ATOM 418 CH2 TRP A 81 44.299 7.043 24.844 1.00 19.13 C ATOM 419 HE1 TRP A 81 47.672 5.027 26.422 1.00 0.00 H ATOM 420 H TRP A 81 49.690 4.092 22.717 1.00 0.00 H ATOM 421 N PRO A 82 47.925 6.877 21.179 1.00 10.95 N ATOM 422 CA PRO A 82 47.395 8.093 20.539 1.00 11.32 C ATOM 423 C PRO A 82 48.064 8.437 19.219 1.00 10.72 C ATOM 424 O PRO A 82 47.577 9.310 18.509 1.00 12.07 O ATOM 425 CB PRO A 82 47.673 9.189 21.576 1.00 12.45 C ATOM 426 CG PRO A 82 47.822 8.454 22.901 1.00 12.99 C ATOM 427 CD PRO A 82 48.556 7.194 22.475 1.00 11.60 C ATOM 428 N PHE A 83 49.198 7.793 18.938 1.00 9.77 N ATOM 429 CA PHE A 83 50.060 8.083 17.800 1.00 9.75 C ATOM 430 C PHE A 83 50.039 6.995 16.739 1.00 9.81 C ATOM 431 O PHE A 83 50.743 7.100 15.756 1.00 11.24 O ATOM 432 CB PHE A 83 51.510 8.307 18.305 1.00 10.06 C ATOM 433 CG PHE A 83 51.587 9.357 19.367 1.00 10.62 C ATOM 434 CD1 PHE A 83 51.605 10.699 19.042 1.00 12.12 C ATOM 435 CD2 PHE A 83 51.617 9.003 20.709 1.00 11.26 C ATOM 436 CE1 PHE A 83 51.616 11.650 20.056 1.00 13.77 C ATOM 437 CE2 PHE A 83 51.654 9.955 21.712 1.00 13.35 C ATOM 438 CZ PHE A 83 51.647 11.286 21.371 1.00 13.84 C ATOM 439 H PHE A 83 49.488 7.027 19.579 1.00 0.00 H ATOM 440 N GLN A 84 49.193 5.957 16.928 1.00 10.06 N ATOM 441 CA GLN A 84 49.177 4.808 16.003 1.00 10.48 C ATOM 442 C GLN A 84 48.323 5.024 14.768 1.00 10.93 C ATOM 443 O GLN A 84 48.281 4.135 13.915 1.00 11.99 O ATOM 444 CB GLN A 84 48.758 3.558 16.764 1.00 11.27 C ATOM 445 CG GLN A 84 49.829 2.982 17.661 1.00 11.36 C ATOM 446 CD GLN A 84 49.285 1.811 18.478 1.00 12.51 C ATOM 447 OE1 GLN A 84 48.064 1.663 18.616 1.00 13.89 O ATOM 448 NE2 GLN A 84 50.167 0.972 19.019 1.00 13.69 N ATOM 449 HE22 GLN A 84 51.186 1.129 18.881 1.00 0.00 H ATOM 450 HE21 GLN A 84 49.837 0.160 19.579 1.00 0.00 H ATOM 451 H GLN A 84 48.543 5.969 17.739 1.00 0.00 H ATOM 452 N GLN A 85 47.652 6.177 14.644 1.00 11.10 N ATOM 453 CA GLN A 85 46.787 6.443 13.531 1.00 11.55 C ATOM 454 C GLN A 85 46.644 7.954 13.400 1.00 11.00 C ATOM 455 O GLN A 85 46.884 8.664 14.353 1.00 11.21 O ATOM 456 CB GLN A 85 45.386 5.799 13.739 1.00 12.75 C ATOM 457 CG GLN A 85 44.657 6.272 14.981 1.00 13.77 C ATOM 458 CD GLN A 85 45.284 5.769 16.262 1.00 13.68 C ATOM 459 OE1 GLN A 85 45.515 4.562 16.420 1.00 15.12 O ATOM 460 NE2 GLN A 85 45.531 6.678 17.222 1.00 13.71 N ATOM 461 HE22 GLN A 85 45.324 7.683 17.052 1.00 0.00 H ATOM 462 HE21 GLN A 85 45.929 6.376 18.134 1.00 0.00 H ATOM 463 H GLN A 85 47.762 6.904 15.380 1.00 0.00 H ATOM 464 N PRO A 86 46.205 8.432 12.229 1.00 11.69 N ATOM 465 CA PRO A 86 45.929 9.859 12.082 1.00 12.31 C ATOM 466 C PRO A 86 44.962 10.361 13.149 1.00 12.43 C ATOM 467 O PRO A 86 44.033 9.652 13.556 1.00 14.20 O ATOM 468 CB PRO A 86 45.316 9.958 10.688 1.00 13.72 C ATOM 469 CG PRO A 86 45.919 8.810 9.954 1.00 14.36 C ATOM 470 CD PRO A 86 46.013 7.712 10.964 1.00 13.92 C ATOM 471 N VAL A 87 45.131 11.615 13.529 1.00 13.02 N ATOM 472 CA VAL A 87 44.188 12.263 14.422 1.00 13.86 C ATOM 473 C VAL A 87 42.806 12.397 13.734 1.00 14.21 C ATOM 474 O VAL A 87 42.687 12.984 12.683 1.00 15.13 O ATOM 475 CB VAL A 87 44.693 13.616 14.889 1.00 14.29 C ATOM 476 CG1 VAL A 87 43.649 14.354 15.688 1.00 17.23 C ATOM 477 CG2 VAL A 87 45.970 13.468 15.682 1.00 16.10 C ATOM 478 H VAL A 87 45.954 12.147 13.182 1.00 0.00 H ATOM 479 N ASP A 88 41.782 11.813 14.334 1.00 15.84 N ATOM 480 CA ASP A 88 40.405 11.855 13.830 1.00 17.06 C ATOM 481 C ASP A 88 39.731 13.061 14.463 1.00 15.88 C ATOM 482 O ASP A 88 39.129 12.975 15.513 1.00 18.71 O ATOM 483 CB ASP A 88 39.661 10.566 14.138 1.00 18.67 C ATOM 484 CG ASP A 88 38.285 10.490 13.478 1.00 21.45 C ATOM 485 OD1 ASP A 88 37.717 11.528 13.083 1.00 20.10 O ATOM 486 OD2 ASP A 88 37.754 9.353 13.405 1.00 29.41 O ATOM 487 H ASP A 88 41.964 11.293 15.216 1.00 0.00 H ATOM 488 N ALA A 89 39.928 14.212 13.834 1.00 16.55 N ATOM 489 CA ALA A 89 39.445 15.453 14.391 1.00 17.32 C ATOM 490 C ALA A 89 37.913 15.526 14.431 1.00 18.41 C ATOM 491 O ALA A 89 37.350 16.190 15.299 1.00 20.22 O ATOM 492 CB ALA A 89 40.024 16.638 13.612 1.00 19.14 C ATOM 493 H ALA A 89 40.437 14.220 12.927 1.00 0.00 H ATOM 494 N VAL A 90 37.246 14.821 13.530 1.00 19.76 N ATOM 495 CA VAL A 90 35.768 14.784 13.544 1.00 20.36 C ATOM 496 C VAL A 90 35.304 14.063 14.807 1.00 21.83 C ATOM 497 O VAL A 90 34.496 14.587 15.551 1.00 24.29 O ATOM 498 CB VAL A 90 35.213 14.120 12.248 1.00 21.78 C ATOM 499 CG1 VAL A 90 33.697 13.895 12.347 1.00 25.95 C ATOM 500 CG2 VAL A 90 35.531 14.972 11.024 1.00 22.51 C ATOM 501 H VAL A 90 37.767 14.288 12.805 1.00 0.00 H ATOM 502 N LYS A 91 35.819 12.858 15.039 1.00 22.59 N ATOM 503 CA LYS A 91 35.426 12.056 16.179 1.00 23.80 C ATOM 504 C LYS A 91 35.770 12.714 17.508 1.00 25.95 C ATOM 505 O LYS A 91 34.969 12.675 18.429 1.00 28.50 O ATOM 506 CB LYS A 91 36.064 10.680 16.106 1.00 24.48 C ATOM 507 CG LYS A 91 35.586 9.740 17.196 1.00 30.00 C ATOM 508 CD LYS A 91 36.027 8.319 16.937 1.00 34.08 C ATOM 509 CE LYS A 91 35.095 7.603 15.970 1.00 44.91 C ATOM 510 NZ LYS A 91 34.654 6.289 16.523 1.00 48.85 N ATOM 511 HZ1 LYS A 91 35.486 5.688 16.691 1.00 0.00 H ATOM 512 HZ2 LYS A 91 34.150 6.443 17.419 1.00 0.00 H ATOM 513 HZ3 LYS A 91 34.020 5.823 15.843 1.00 0.00 H ATOM 514 H LYS A 91 36.528 12.479 14.379 1.00 0.00 H ATOM 515 N LEU A 92 36.938 13.339 17.579 1.00 22.54 N ATOM 516 CA LEU A 92 37.436 13.990 18.817 1.00 22.67 C ATOM 517 C LEU A 92 36.845 15.396 19.035 1.00 21.21 C ATOM 518 O LEU A 92 37.115 16.066 20.045 1.00 24.60 O ATOM 519 CB LEU A 92 38.982 14.068 18.790 1.00 22.43 C ATOM 520 CG LEU A 92 39.816 12.810 19.072 1.00 27.13 C ATOM 521 CD1 LEU A 92 39.206 11.537 18.507 1.00 30.14 C ATOM 522 CD2 LEU A 92 41.240 12.977 18.554 1.00 27.04 C ATOM 523 H LEU A 92 37.533 13.375 16.727 1.00 0.00 H ATOM 524 N ASN A 93 36.102 15.866 18.021 1.00 21.07 N ATOM 525 CA ASN A 93 35.513 17.196 18.019 1.00 22.38 C ATOM 526 C ASN A 93 36.610 18.238 18.250 1.00 21.52 C ATOM 527 O ASN A 93 36.556 19.039 19.189 1.00 24.48 O ATOM 528 CB ASN A 93 34.359 17.332 19.040 1.00 23.54 C ATOM 529 CG ASN A 93 33.678 18.699 18.974 1.00 29.71 C ATOM 530 OD1 ASN A 93 33.748 19.391 17.939 1.00 29.68 O ATOM 531 ND2 ASN A 93 33.024 19.102 20.066 1.00 34.27 N ATOM 532 HD22 ASN A 93 32.991 18.492 20.908 1.00 0.00 H ATOM 533 HD21 ASN A 93 32.547 20.026 20.075 1.00 0.00 H ATOM 534 H ASN A 93 35.940 15.251 17.198 1.00 0.00 H ATOM 535 N LEU A 94 37.596 18.234 17.360 1.00 18.59 N ATOM 536 CA LEU A 94 38.719 19.161 17.383 1.00 17.99 C ATOM 537 C LEU A 94 38.685 19.946 16.073 1.00 18.13 C ATOM 538 O LEU A 94 39.504 19.707 15.166 1.00 18.55 O ATOM 539 CB LEU A 94 40.049 18.427 17.535 1.00 19.65 C ATOM 540 CG LEU A 94 40.159 17.390 18.634 1.00 21.85 C ATOM 541 CD1 LEU A 94 41.491 16.664 18.488 1.00 22.30 C ATOM 542 CD2 LEU A 94 40.030 18.046 19.992 1.00 22.66 C ATOM 543 H LEU A 94 37.564 17.525 16.600 1.00 0.00 H ATOM 544 N PRO A 95 37.757 20.907 15.960 1.00 19.06 N ATOM 545 CA PRO A 95 37.600 21.587 14.660 1.00 20.18 C ATOM 546 C PRO A 95 38.773 22.444 14.189 1.00 19.35 C ATOM 547 O PRO A 95 38.830 22.819 13.013 1.00 20.32 O ATOM 548 CB PRO A 95 36.377 22.477 14.884 1.00 23.33 C ATOM 549 CG PRO A 95 36.321 22.652 16.367 1.00 24.17 C ATOM 550 CD PRO A 95 36.761 21.366 16.952 1.00 20.31 C ATOM 551 N ASP A 96 39.687 22.742 15.117 1.00 17.28 N ATOM 552 CA ASP A 96 40.832 23.552 14.788 1.00 16.28 C ATOM 553 C ASP A 96 42.146 22.759 14.672 1.00 14.83 C ATOM 554 O ASP A 96 43.170 23.343 14.345 1.00 15.48 O ATOM 555 CB ASP A 96 40.995 24.691 15.746 1.00 19.03 C ATOM 556 CG ASP A 96 39.801 25.646 15.744 1.00 21.84 C ATOM 557 OD1 ASP A 96 39.033 25.760 14.745 1.00 22.13 O ATOM 558 OD2 ASP A 96 39.591 26.286 16.800 1.00 29.86 O ATOM 559 H ASP A 96 39.571 22.385 16.087 1.00 0.00 H ATOM 560 N TYR A 97 42.114 21.449 14.894 1.00 14.12 N ATOM 561 CA TYR A 97 43.372 20.654 14.815 1.00 13.87 C ATOM 562 C TYR A 97 44.077 20.857 13.472 1.00 12.88 C ATOM 563 O TYR A 97 45.281 21.155 13.412 1.00 13.29 O ATOM 564 CB TYR A 97 43.086 19.169 15.095 1.00 13.99 C ATOM 565 CG TYR A 97 44.368 18.403 15.117 1.00 13.16 C ATOM 566 CD1 TYR A 97 45.133 18.287 16.265 1.00 13.07 C ATOM 567 CD2 TYR A 97 44.852 17.771 13.970 1.00 12.33 C ATOM 568 CE1 TYR A 97 46.358 17.644 16.240 1.00 12.90 C ATOM 569 CE2 TYR A 97 46.058 17.116 13.928 1.00 12.12 C ATOM 570 CZ TYR A 97 46.835 17.048 15.065 1.00 12.51 C ATOM 571 OH TYR A 97 48.043 16.424 15.008 1.00 12.32 O ATOM 572 HH TYR A 97 48.474 16.460 15.898 1.00 0.00 H ATOM 573 H TYR A 97 41.214 20.980 15.122 1.00 0.00 H ATOM 574 N TYR A 98 43.320 20.665 12.378 1.00 13.03 N ATOM 575 CA TYR A 98 43.908 20.716 11.064 1.00 13.44 C ATOM 576 C TYR A 98 44.090 22.159 10.569 1.00 14.76 C ATOM 577 O TYR A 98 44.702 22.370 9.542 1.00 19.40 O ATOM 578 CB TYR A 98 43.145 19.748 10.082 1.00 14.17 C ATOM 579 CG TYR A 98 43.497 18.265 10.386 1.00 13.73 C ATOM 580 CD1 TYR A 98 44.772 17.787 10.222 1.00 15.10 C ATOM 581 CD2 TYR A 98 42.532 17.378 10.883 1.00 16.59 C ATOM 582 CE1 TYR A 98 45.085 16.472 10.537 1.00 15.24 C ATOM 583 CE2 TYR A 98 42.834 16.064 11.144 1.00 16.80 C ATOM 584 CZ TYR A 98 44.133 15.606 10.987 1.00 15.35 C ATOM 585 OH TYR A 98 44.528 14.275 11.262 1.00 17.72 O ATOM 586 HH TYR A 98 44.347 14.068 12.213 1.00 0.00 H ATOM 587 H TYR A 98 42.302 20.478 12.481 1.00 0.00 H ATOM 588 N LYS A 99 43.573 23.156 11.277 1.00 14.61 N ATOM 589 CA LYS A 99 43.987 24.519 11.049 1.00 16.05 C ATOM 590 C LYS A 99 45.383 24.789 11.603 1.00 16.72 C ATOM 591 O LYS A 99 46.191 25.504 10.992 1.00 20.39 O ATOM 592 CB LYS A 99 42.987 25.513 11.690 1.00 16.19 C ATOM 593 CG LYS A 99 41.570 25.454 11.147 1.00 16.18 C ATOM 594 CD LYS A 99 40.738 26.592 11.721 1.00 18.61 C ATOM 595 CE LYS A 99 39.287 26.662 11.280 1.00 20.21 C ATOM 596 NZ LYS A 99 38.548 25.521 11.885 1.00 17.90 N ATOM 597 HZ1 LYS A 99 38.972 24.627 11.566 1.00 0.00 H ATOM 598 HZ2 LYS A 99 38.606 25.583 12.922 1.00 0.00 H ATOM 599 HZ3 LYS A 99 37.552 25.559 11.589 1.00 0.00 H ATOM 600 H LYS A 99 42.860 22.952 12.006 1.00 0.00 H ATOM 601 N ILE A 100 45.675 24.258 12.791 1.00 14.74 N ATOM 602 CA ILE A 100 46.927 24.471 13.487 1.00 15.62 C ATOM 603 C ILE A 100 48.054 23.605 12.898 1.00 16.95 C ATOM 604 O ILE A 100 49.193 24.031 12.807 1.00 18.29 O ATOM 605 CB ILE A 100 46.706 24.247 15.029 1.00 16.97 C ATOM 606 CG1 ILE A 100 45.684 25.297 15.557 1.00 18.40 C ATOM 607 CG2 ILE A 100 48.021 24.228 15.780 1.00 18.40 C ATOM 608 CD1 ILE A 100 45.019 24.997 16.875 1.00 20.78 C ATOM 609 H ILE A 100 44.960 23.654 13.245 1.00 0.00 H ATOM 610 N ILE A 101 47.723 22.368 12.576 1.00 14.27 N ATOM 611 CA ILE A 101 48.696 21.397 12.048 1.00 13.93 C ATOM 612 C ILE A 101 48.651 21.336 10.536 1.00 14.95 C ATOM 613 O ILE A 101 47.692 20.820 9.937 1.00 19.21 O ATOM 614 CB ILE A 101 48.378 20.027 12.667 1.00 13.91 C ATOM 615 CG1 ILE A 101 48.534 20.081 14.216 1.00 14.70 C ATOM 616 CG2 ILE A 101 49.210 18.912 12.021 1.00 15.40 C ATOM 617 CD1 ILE A 101 49.836 20.667 14.713 1.00 15.62 C ATOM 618 H ILE A 101 46.735 22.067 12.700 1.00 0.00 H ATOM 619 N LYS A 102 49.709 21.838 9.919 1.00 15.66 N ATOM 620 CA LYS A 102 49.837 21.917 8.468 1.00 18.48 C ATOM 621 C LYS A 102 50.216 20.592 7.840 1.00 16.67 C ATOM 622 O LYS A 102 49.854 20.327 6.696 1.00 19.09 O ATOM 623 CB LYS A 102 50.864 23.026 8.109 1.00 23.76 C ATOM 624 CG LYS A 102 50.332 24.486 8.091 1.00 32.43 C ATOM 625 CD LYS A 102 49.690 24.960 9.381 1.00 31.66 C ATOM 626 CE LYS A 102 49.278 26.426 9.331 1.00 36.48 C ATOM 627 NZ LYS A 102 48.780 26.878 10.652 1.00 37.96 N ATOM 628 HZ1 LYS A 102 47.955 26.306 10.924 1.00 0.00 H ATOM 629 HZ2 LYS A 102 49.532 26.764 11.362 1.00 0.00 H ATOM 630 HZ3 LYS A 102 48.505 27.879 10.593 1.00 0.00 H ATOM 631 H LYS A 102 50.493 22.196 10.501 1.00 0.00 H ATOM 632 N THR A 103 51.023 19.804 8.531 1.00 14.08 N ATOM 633 CA THR A 103 51.576 18.568 7.988 1.00 13.90 C ATOM 634 C THR A 103 51.248 17.438 8.998 1.00 12.13 C ATOM 635 O THR A 103 52.021 17.110 9.861 1.00 12.65 O ATOM 636 CB THR A 103 53.105 18.653 7.806 1.00 16.75 C ATOM 637 OG1 THR A 103 53.430 19.811 7.019 1.00 20.58 O ATOM 638 CG2 THR A 103 53.659 17.377 7.134 1.00 19.32 C ATOM 639 HG1 THR A 103 54.412 19.865 6.903 1.00 0.00 H ATOM 640 H THR A 103 51.274 20.077 9.503 1.00 0.00 H ATOM 641 N PRO A 104 50.073 16.840 8.870 1.00 13.95 N ATOM 642 CA PRO A 104 49.696 15.735 9.750 1.00 14.31 C ATOM 643 C PRO A 104 50.681 14.573 9.628 1.00 12.07 C ATOM 644 O PRO A 104 51.151 14.279 8.514 1.00 12.35 O ATOM 645 CB PRO A 104 48.334 15.303 9.162 1.00 18.99 C ATOM 646 CG PRO A 104 47.854 16.516 8.450 1.00 18.56 C ATOM 647 CD PRO A 104 49.042 17.155 7.880 1.00 15.30 C ATOM 648 N MET A 105 50.985 13.909 10.752 1.00 11.26 N ATOM 649 CA MET A 105 51.802 12.690 10.660 1.00 9.95 C ATOM 650 C MET A 105 51.545 11.845 11.908 1.00 10.05 C ATOM 651 O MET A 105 51.255 12.359 12.978 1.00 12.24 O ATOM 652 CB MET A 105 53.285 13.039 10.531 1.00 10.45 C ATOM 653 CG MET A 105 54.212 11.873 10.232 1.00 10.79 C ATOM 654 SD MET A 105 53.711 10.795 8.893 1.00 11.02 S ATOM 655 CE MET A 105 53.572 11.940 7.536 1.00 12.44 C ATOM 656 H MET A 105 50.648 14.251 11.675 1.00 0.00 H ATOM 657 N ASP A 106 51.695 10.531 11.745 1.00 10.11 N ATOM 658 CA ASP A 106 51.386 9.577 12.798 1.00 10.35 C ATOM 659 C ASP A 106 52.221 8.324 12.529 1.00 9.48 C ATOM 660 O ASP A 106 52.707 8.111 11.407 1.00 9.73 O ATOM 661 CB ASP A 106 49.903 9.275 12.848 1.00 10.88 C ATOM 662 CG ASP A 106 49.485 8.521 11.601 1.00 11.29 C ATOM 663 OD1 ASP A 106 49.278 9.195 10.554 1.00 11.51 O ATOM 664 OD2 ASP A 106 49.439 7.287 11.662 1.00 11.40 O ATOM 665 H ASP A 106 52.045 10.175 10.833 1.00 0.00 H ATOM 666 N MET A 107 52.346 7.481 13.560 1.00 9.85 N ATOM 667 CA MET A 107 53.126 6.252 13.430 1.00 10.33 C ATOM 668 C MET A 107 52.469 5.194 12.572 1.00 9.98 C ATOM 669 O MET A 107 53.185 4.349 12.035 1.00 10.68 O ATOM 670 CB MET A 107 53.481 5.643 14.757 1.00 12.52 C ATOM 671 CG MET A 107 54.395 6.428 15.613 1.00 12.86 C ATOM 672 SD MET A 107 55.343 5.509 16.845 1.00 13.79 S ATOM 673 CE MET A 107 53.991 4.900 17.808 1.00 14.33 C ATOM 674 H MET A 107 51.883 7.703 14.464 1.00 0.00 H ATOM 675 N GLY A 108 51.145 5.190 12.458 1.00 9.95 N ATOM 676 CA GLY A 108 50.525 4.255 11.517 1.00 10.59 C ATOM 677 C GLY A 108 50.952 4.519 10.085 1.00 10.36 C ATOM 678 O GLY A 108 51.294 3.599 9.324 1.00 11.16 O ATOM 679 H GLY A 108 50.561 5.837 13.025 1.00 0.00 H ATOM 680 N THR A 109 50.971 5.791 9.707 1.00 9.81 N ATOM 681 CA THR A 109 51.477 6.221 8.420 1.00 9.76 C ATOM 682 C THR A 109 52.936 5.845 8.241 1.00 9.12 C ATOM 683 O THR A 109 53.339 5.316 7.187 1.00 9.21 O ATOM 684 CB THR A 109 51.258 7.729 8.236 1.00 10.17 C ATOM 685 OG1 THR A 109 49.847 7.988 8.253 1.00 11.38 O ATOM 686 CG2 THR A 109 51.857 8.251 6.966 1.00 10.79 C ATOM 687 HG1 THR A 109 49.412 7.490 7.516 1.00 0.00 H ATOM 688 H THR A 109 50.607 6.510 10.364 1.00 0.00 H ATOM 689 N ILE A 110 53.760 6.135 9.246 1.00 8.58 N ATOM 690 CA ILE A 110 55.162 5.812 9.151 1.00 8.86 C ATOM 691 C ILE A 110 55.385 4.315 8.985 1.00 9.18 C ATOM 692 O ILE A 110 56.211 3.868 8.183 1.00 9.41 O ATOM 693 CB ILE A 110 55.938 6.354 10.373 1.00 8.88 C ATOM 694 CG1 ILE A 110 55.921 7.891 10.402 1.00 9.54 C ATOM 695 CG2 ILE A 110 57.349 5.795 10.409 1.00 10.19 C ATOM 696 CD1 ILE A 110 56.363 8.495 11.709 1.00 10.04 C ATOM 697 H ILE A 110 53.391 6.596 10.102 1.00 0.00 H ATOM 698 N LYS A 111 54.634 3.529 9.762 1.00 9.73 N ATOM 699 CA LYS A 111 54.730 2.044 9.664 1.00 10.00 C ATOM 700 C LYS A 111 54.430 1.573 8.238 1.00 10.37 C ATOM 701 O LYS A 111 55.168 0.769 7.669 1.00 10.82 O ATOM 702 CB LYS A 111 53.761 1.440 10.673 1.00 11.51 C ATOM 703 CG LYS A 111 53.685 -0.088 10.654 1.00 13.33 C ATOM 704 CD LYS A 111 52.913 -0.596 11.863 1.00 16.78 C ATOM 705 CE LYS A 111 53.015 -2.111 12.098 1.00 21.64 C ATOM 706 NZ LYS A 111 52.297 -2.823 11.031 1.00 26.14 N ATOM 707 HZ1 LYS A 111 51.297 -2.538 11.038 1.00 0.00 H ATOM 708 HZ2 LYS A 111 52.721 -2.585 10.111 1.00 0.00 H ATOM 709 HZ3 LYS A 111 52.367 -3.848 11.192 1.00 0.00 H ATOM 710 H LYS A 111 53.975 3.958 10.443 1.00 0.00 H ATOM 711 N LYS A 112 53.304 2.050 7.669 1.00 10.56 N ATOM 712 CA LYS A 112 52.958 1.662 6.326 1.00 11.18 C ATOM 713 C LYS A 112 53.999 2.103 5.326 1.00 10.49 C ATOM 714 O LYS A 112 54.353 1.361 4.408 1.00 11.28 O ATOM 715 CB LYS A 112 51.581 2.234 5.955 1.00 12.22 C ATOM 716 CG LYS A 112 50.413 1.578 6.655 1.00 15.42 C ATOM 717 CD LYS A 112 49.085 2.235 6.339 1.00 20.54 C ATOM 718 CE LYS A 112 47.904 1.566 7.013 1.00 26.36 C ATOM 719 NZ LYS A 112 46.678 2.336 6.726 1.00 32.62 N ATOM 720 HZ1 LYS A 112 46.785 3.304 7.090 1.00 0.00 H ATOM 721 HZ2 LYS A 112 46.522 2.366 5.698 1.00 0.00 H ATOM 722 HZ3 LYS A 112 45.866 1.878 7.188 1.00 0.00 H ATOM 723 H LYS A 112 52.686 2.697 8.199 1.00 0.00 H ATOM 724 N ARG A 113 54.507 3.321 5.493 1.00 9.43 N ATOM 725 CA ARG A 113 55.542 3.806 4.592 1.00 9.67 C ATOM 726 C ARG A 113 56.793 2.902 4.650 1.00 9.44 C ATOM 727 O ARG A 113 57.345 2.543 3.605 1.00 10.27 O ATOM 728 CB ARG A 113 55.892 5.262 4.924 1.00 9.44 C ATOM 729 CG ARG A 113 54.844 6.243 4.458 1.00 9.97 C ATOM 730 CD ARG A 113 55.155 7.691 4.837 1.00 10.49 C ATOM 731 NE ARG A 113 54.177 8.557 4.204 1.00 10.89 N ATOM 732 CZ ARG A 113 54.303 9.863 4.070 1.00 12.32 C ATOM 733 NH1 ARG A 113 55.290 10.520 4.643 1.00 13.26 N ATOM 734 NH2 ARG A 113 53.428 10.493 3.307 1.00 14.36 N ATOM 735 HE ARG A 113 53.314 8.115 3.829 1.00 0.00 H ATOM 736 HH12 ARG A 113 55.368 11.550 4.523 1.00 0.00 H ATOM 737 HH11 ARG A 113 55.991 10.009 5.216 1.00 0.00 H ATOM 738 HH22 ARG A 113 53.497 11.523 3.178 1.00 0.00 H ATOM 739 HH21 ARG A 113 52.670 9.959 2.835 1.00 0.00 H ATOM 740 H ARG A 113 54.165 3.926 6.267 1.00 0.00 H ATOM 741 N LEU A 114 57.228 2.551 5.856 1.00 8.96 N ATOM 742 CA LEU A 114 58.362 1.642 5.949 1.00 9.11 C ATOM 743 C LEU A 114 58.063 0.274 5.340 1.00 9.80 C ATOM 744 O LEU A 114 58.886 -0.271 4.597 1.00 10.45 O ATOM 745 CB LEU A 114 58.824 1.490 7.383 1.00 9.32 C ATOM 746 CG LEU A 114 59.578 2.714 7.941 1.00 9.33 C ATOM 747 CD1 LEU A 114 59.635 2.673 9.451 1.00 10.28 C ATOM 748 CD2 LEU A 114 60.995 2.810 7.353 1.00 10.86 C ATOM 749 H LEU A 114 56.769 2.917 6.714 1.00 0.00 H ATOM 750 N GLU A 115 56.909 -0.279 5.639 1.00 10.07 N ATOM 751 CA GLU A 115 56.536 -1.577 5.080 1.00 11.29 C ATOM 752 C GLU A 115 56.456 -1.579 3.575 1.00 11.64 C ATOM 753 O GLU A 115 56.817 -2.575 2.948 1.00 13.91 O ATOM 754 CB GLU A 115 55.180 -1.988 5.671 1.00 14.62 C ATOM 755 CG GLU A 115 55.234 -2.386 7.113 1.00 16.84 C ATOM 756 CD GLU A 115 53.863 -2.562 7.769 1.00 20.84 C ATOM 757 OE1 GLU A 115 52.833 -2.079 7.221 1.00 25.71 O ATOM 758 OE2 GLU A 115 53.818 -3.105 8.891 1.00 27.82 O ATOM 759 H GLU A 115 56.254 0.212 6.280 1.00 0.00 H ATOM 760 N ASN A 116 56.009 -0.483 2.993 1.00 10.48 N ATOM 761 CA ASN A 116 55.858 -0.331 1.556 1.00 11.17 C ATOM 762 C ASN A 116 57.117 0.220 0.899 1.00 10.79 C ATOM 763 O ASN A 116 57.133 0.432 -0.340 1.00 11.82 O ATOM 764 CB ASN A 116 54.698 0.579 1.217 1.00 11.96 C ATOM 765 CG ASN A 116 53.360 0.015 1.593 1.00 13.08 C ATOM 766 OD1 ASN A 116 53.198 -1.197 1.694 1.00 17.67 O ATOM 767 ND2 ASN A 116 52.388 0.895 1.750 1.00 14.76 N ATOM 768 HD22 ASN A 116 52.586 1.911 1.652 1.00 0.00 H ATOM 769 HD21 ASN A 116 51.425 0.572 1.971 1.00 0.00 H ATOM 770 H ASN A 116 55.749 0.321 3.599 1.00 0.00 H ATOM 771 N ASN A 117 58.200 0.413 1.657 1.00 10.28 N ATOM 772 CA ASN A 117 59.425 0.961 1.123 1.00 10.22 C ATOM 773 C ASN A 117 59.160 2.295 0.417 1.00 10.13 C ATOM 774 O ASN A 117 59.765 2.595 -0.608 1.00 11.44 O ATOM 775 CB ASN A 117 60.169 -0.054 0.231 1.00 11.47 C ATOM 776 CG ASN A 117 61.622 0.269 0.014 1.00 11.53 C ATOM 777 OD1 ASN A 117 62.060 0.405 -1.131 1.00 12.11 O ATOM 778 ND2 ASN A 117 62.407 0.330 1.063 1.00 12.31 N ATOM 779 HD22 ASN A 117 62.010 0.212 2.017 1.00 0.00 H ATOM 780 HD21 ASN A 117 63.426 0.497 0.941 1.00 0.00 H ATOM 781 H ASN A 117 58.160 0.160 2.665 1.00 0.00 H ATOM 782 N TYR A 118 58.291 3.108 1.013 1.00 9.94 N ATOM 783 CA TYR A 118 57.978 4.417 0.463 1.00 9.86 C ATOM 784 C TYR A 118 59.139 5.394 0.544 1.00 9.39 C ATOM 785 O TYR A 118 59.300 6.259 -0.331 1.00 11.40 O ATOM 786 CB TYR A 118 56.782 4.942 1.248 1.00 10.55 C ATOM 787 CG TYR A 118 56.260 6.310 0.889 1.00 11.32 C ATOM 788 CD1 TYR A 118 55.314 6.463 -0.131 1.00 13.65 C ATOM 789 CD2 TYR A 118 56.664 7.432 1.573 1.00 13.20 C ATOM 790 CE1 TYR A 118 54.765 7.699 -0.415 1.00 16.35 C ATOM 791 CE2 TYR A 118 56.133 8.676 1.278 1.00 15.29 C ATOM 792 CZ TYR A 118 55.181 8.796 0.312 1.00 15.92 C ATOM 793 OH TYR A 118 54.670 10.070 -0.001 1.00 22.23 O ATOM 794 HH TYR A 118 55.408 10.653 -0.310 1.00 0.00 H ATOM 795 H TYR A 118 57.826 2.800 1.891 1.00 0.00 H ATOM 796 N TYR A 119 59.933 5.321 1.608 1.00 9.73 N ATOM 797 CA TYR A 119 61.020 6.275 1.805 1.00 9.68 C ATOM 798 C TYR A 119 62.208 5.937 0.917 1.00 10.29 C ATOM 799 O TYR A 119 62.660 4.778 0.888 1.00 11.37 O ATOM 800 CB TYR A 119 61.487 6.295 3.243 1.00 9.67 C ATOM 801 CG TYR A 119 60.407 6.670 4.241 1.00 9.12 C ATOM 802 CD1 TYR A 119 59.892 7.959 4.261 1.00 9.91 C ATOM 803 CD2 TYR A 119 59.951 5.771 5.175 1.00 9.77 C ATOM 804 CE1 TYR A 119 58.972 8.335 5.228 1.00 9.65 C ATOM 805 CE2 TYR A 119 59.023 6.153 6.148 1.00 9.70 C ATOM 806 CZ TYR A 119 58.543 7.437 6.165 1.00 9.39 C ATOM 807 OH TYR A 119 57.657 7.772 7.158 1.00 10.90 O ATOM 808 HH TYR A 119 57.391 8.720 7.055 1.00 0.00 H ATOM 809 H TYR A 119 59.777 4.571 2.312 1.00 0.00 H ATOM 810 N TRP A 120 62.735 6.960 0.257 1.00 11.91 N ATOM 811 CA TRP A 120 63.945 6.852 -0.523 1.00 12.81 C ATOM 812 C TRP A 120 65.181 6.799 0.359 1.00 13.22 C ATOM 813 O TRP A 120 66.222 6.289 -0.046 1.00 16.00 O ATOM 814 CB TRP A 120 64.057 8.004 -1.521 1.00 13.15 C ATOM 815 CG TRP A 120 62.948 8.106 -2.536 1.00 12.80 C ATOM 816 CD1 TRP A 120 61.772 8.741 -2.354 1.00 13.91 C ATOM 817 CD2 TRP A 120 62.933 7.579 -3.862 1.00 12.58 C ATOM 818 NE1 TRP A 120 61.014 8.663 -3.493 1.00 13.84 N ATOM 819 CE2 TRP A 120 61.707 7.950 -4.438 1.00 13.00 C ATOM 820 CE3 TRP A 120 63.833 6.837 -4.604 1.00 13.09 C ATOM 821 CZ2 TRP A 120 61.380 7.625 -5.775 1.00 13.90 C ATOM 822 CZ3 TRP A 120 63.491 6.505 -5.914 1.00 14.40 C ATOM 823 CH2 TRP A 120 62.302 6.915 -6.479 1.00 14.27 C ATOM 824 HE1 TRP A 120 60.068 9.077 -3.620 1.00 0.00 H ATOM 825 H TRP A 120 62.255 7.881 0.304 1.00 0.00 H ATOM 826 N ASN A 121 65.095 7.377 1.561 1.00 12.72 N ATOM 827 CA ASN A 121 66.207 7.404 2.481 1.00 13.51 C ATOM 828 C ASN A 121 65.687 7.500 3.906 1.00 12.11 C ATOM 829 O ASN A 121 64.546 7.919 4.159 1.00 12.40 O ATOM 830 CB ASN A 121 67.231 8.496 2.178 1.00 16.68 C ATOM 831 CG ASN A 121 66.664 9.876 2.267 1.00 16.80 C ATOM 832 OD1 ASN A 121 66.248 10.306 3.322 1.00 17.47 O ATOM 833 ND2 ASN A 121 66.584 10.580 1.114 1.00 20.18 N ATOM 834 HD22 ASN A 121 66.953 10.174 0.230 1.00 0.00 H ATOM 835 HD21 ASN A 121 66.153 11.527 1.112 1.00 0.00 H ATOM 836 H ASN A 121 64.198 7.822 1.843 1.00 0.00 H ATOM 837 N ALA A 122 66.555 7.167 4.837 1.00 12.56 N ATOM 838 CA ALA A 122 66.215 7.185 6.265 1.00 12.64 C ATOM 839 C ALA A 122 65.885 8.571 6.781 1.00 12.34 C ATOM 840 O ALA A 122 65.065 8.719 7.682 1.00 11.97 O ATOM 841 CB ALA A 122 67.343 6.584 7.081 1.00 16.34 C ATOM 842 H ALA A 122 67.514 6.882 4.552 1.00 0.00 H ATOM 843 N GLN A 123 66.542 9.596 6.247 1.00 12.73 N ATOM 844 CA GLN A 123 66.289 10.964 6.729 1.00 13.86 C ATOM 845 C GLN A 123 64.815 11.385 6.543 1.00 11.66 C ATOM 846 O GLN A 123 64.257 12.114 7.361 1.00 12.77 O ATOM 847 CB GLN A 123 67.206 11.997 6.086 1.00 17.06 C ATOM 848 CG GLN A 123 67.036 13.406 6.678 1.00 23.47 C ATOM 849 CD GLN A 123 66.880 13.466 8.211 1.00 31.24 C ATOM 850 OE1 GLN A 123 65.857 13.982 8.730 1.00 25.85 O ATOM 851 NE2 GLN A 123 67.874 12.940 8.938 1.00 25.50 N ATOM 852 HE22 GLN A 123 68.701 12.524 8.464 1.00 0.00 H ATOM 853 HE21 GLN A 123 67.819 12.948 9.977 1.00 0.00 H ATOM 854 H GLN A 123 67.235 9.432 5.489 1.00 0.00 H ATOM 855 N GLU A 124 64.182 10.916 5.477 1.00 11.93 N ATOM 856 CA GLU A 124 62.785 11.215 5.257 1.00 11.88 C ATOM 857 C GLU A 124 61.898 10.655 6.361 1.00 10.89 C ATOM 858 O GLU A 124 60.911 11.268 6.807 1.00 11.67 O ATOM 859 CB GLU A 124 62.327 10.660 3.939 1.00 13.57 C ATOM 860 CG GLU A 124 62.898 11.335 2.715 1.00 16.96 C ATOM 861 CD GLU A 124 62.294 10.765 1.465 1.00 19.87 C ATOM 862 OE1 GLU A 124 62.262 9.552 1.241 1.00 17.25 O ATOM 863 OE2 GLU A 124 61.923 11.590 0.620 1.00 31.08 O ATOM 864 H GLU A 124 64.696 10.327 4.792 1.00 0.00 H ATOM 865 N CYS A 125 62.238 9.430 6.781 1.00 10.18 N ATOM 866 CA CYS A 125 61.516 8.798 7.867 1.00 9.91 C ATOM 867 C CYS A 125 61.726 9.497 9.192 1.00 9.48 C ATOM 868 O CYS A 125 60.789 9.755 9.948 1.00 10.12 O ATOM 869 CB CYS A 125 61.935 7.324 7.914 1.00 10.38 C ATOM 870 SG CYS A 125 61.183 6.404 9.252 1.00 11.59 S ATOM 871 H CYS A 125 63.026 8.928 6.324 1.00 0.00 H ATOM 872 N ILE A 126 62.993 9.818 9.484 1.00 10.58 N ATOM 873 CA ILE A 126 63.311 10.568 10.691 1.00 10.46 C ATOM 874 C ILE A 126 62.538 11.889 10.725 1.00 10.82 C ATOM 875 O ILE A 126 61.990 12.260 11.771 1.00 11.55 O ATOM 876 CB ILE A 126 64.832 10.766 10.803 1.00 11.83 C ATOM 877 CG1 ILE A 126 65.512 9.411 11.061 1.00 13.76 C ATOM 878 CG2 ILE A 126 65.190 11.773 11.896 1.00 14.05 C ATOM 879 CD1 ILE A 126 67.029 9.431 10.862 1.00 16.29 C ATOM 880 H ILE A 126 63.758 9.528 8.842 1.00 0.00 H ATOM 881 N GLN A 127 62.432 12.571 9.570 1.00 11.03 N ATOM 882 CA GLN A 127 61.658 13.803 9.517 1.00 11.79 C ATOM 883 C GLN A 127 60.205 13.579 9.852 1.00 10.26 C ATOM 884 O GLN A 127 59.589 14.423 10.509 1.00 11.17 O ATOM 885 CB GLN A 127 61.831 14.491 8.158 1.00 14.48 C ATOM 886 CG GLN A 127 61.112 15.838 8.122 1.00 20.75 C ATOM 887 CD GLN A 127 61.527 16.778 9.338 1.00 26.57 C ATOM 888 OE1 GLN A 127 62.740 17.094 9.504 1.00 34.42 O ATOM 889 NE2 GLN A 127 60.531 17.199 10.227 1.00 21.43 N ATOM 890 HE22 GLN A 127 59.541 16.924 10.066 1.00 0.00 H ATOM 891 HE21 GLN A 127 60.781 17.786 11.048 1.00 0.00 H ATOM 892 H GLN A 127 62.904 12.217 8.713 1.00 0.00 H ATOM 893 N ASP A 128 59.609 12.490 9.377 1.00 9.92 N ATOM 894 CA ASP A 128 58.232 12.214 9.730 1.00 9.16 C ATOM 895 C ASP A 128 58.032 12.028 11.233 1.00 9.32 C ATOM 896 O ASP A 128 57.059 12.522 11.800 1.00 9.54 O ATOM 897 CB ASP A 128 57.716 10.977 8.962 1.00 9.94 C ATOM 898 CG ASP A 128 57.296 11.251 7.540 1.00 10.61 C ATOM 899 OD1 ASP A 128 57.177 12.429 7.141 1.00 12.54 O ATOM 900 OD2 ASP A 128 57.032 10.271 6.795 1.00 11.63 O ATOM 901 H ASP A 128 60.129 11.839 8.755 1.00 0.00 H ATOM 902 N PHE A 129 58.934 11.297 11.897 1.00 9.48 N ATOM 903 CA PHE A 129 58.853 11.210 13.343 1.00 9.92 C ATOM 904 C PHE A 129 58.945 12.601 13.981 1.00 9.90 C ATOM 905 O PHE A 129 58.175 12.930 14.881 1.00 10.66 O ATOM 906 CB PHE A 129 59.952 10.302 13.928 1.00 10.82 C ATOM 907 CG PHE A 129 59.670 8.823 13.874 1.00 10.64 C ATOM 908 CD1 PHE A 129 58.828 8.237 14.799 1.00 12.25 C ATOM 909 CD2 PHE A 129 60.244 8.011 12.920 1.00 11.22 C ATOM 910 CE1 PHE A 129 58.593 6.868 14.747 1.00 13.86 C ATOM 911 CE2 PHE A 129 60.024 6.634 12.904 1.00 12.07 C ATOM 912 CZ PHE A 129 59.204 6.073 13.808 1.00 13.29 C ATOM 913 H PHE A 129 59.686 10.796 11.382 1.00 0.00 H ATOM 914 N ASN A 130 59.935 13.390 13.547 1.00 10.46 N ATOM 915 CA ASN A 130 60.072 14.726 14.085 1.00 11.42 C ATOM 916 C ASN A 130 58.783 15.581 13.907 1.00 11.00 C ATOM 917 O ASN A 130 58.362 16.272 14.850 1.00 11.80 O ATOM 918 CB ASN A 130 61.299 15.411 13.500 1.00 12.48 C ATOM 919 CG ASN A 130 62.646 14.863 14.050 1.00 15.09 C ATOM 920 OD1 ASN A 130 62.768 14.301 15.158 1.00 14.01 O ATOM 921 ND2 ASN A 130 63.665 15.044 13.246 1.00 17.45 N ATOM 922 HD22 ASN A 130 63.527 15.516 12.330 1.00 0.00 H ATOM 923 HD21 ASN A 130 64.612 14.715 13.524 1.00 0.00 H ATOM 924 H ASN A 130 60.602 13.045 12.827 1.00 0.00 H ATOM 925 N THR A 131 58.181 15.483 12.722 1.00 10.44 N ATOM 926 CA THR A 131 56.944 16.204 12.479 1.00 10.51 C ATOM 927 C THR A 131 55.852 15.754 13.424 1.00 10.11 C ATOM 928 O THR A 131 55.100 16.580 13.959 1.00 10.32 O ATOM 929 CB THR A 131 56.521 16.006 11.008 1.00 11.55 C ATOM 930 OG1 THR A 131 57.508 16.581 10.157 1.00 13.61 O ATOM 931 CG2 THR A 131 55.169 16.607 10.699 1.00 12.38 C ATOM 932 HG1 THR A 131 57.589 17.548 10.353 1.00 0.00 H ATOM 933 H THR A 131 58.596 14.892 11.974 1.00 0.00 H ATOM 934 N MET A 132 55.698 14.438 13.582 1.00 9.78 N ATOM 935 CA MET A 132 54.686 13.902 14.499 1.00 9.52 C ATOM 936 C MET A 132 54.839 14.512 15.887 1.00 9.53 C ATOM 937 O MET A 132 53.851 14.950 16.515 1.00 10.09 O ATOM 938 CB MET A 132 54.792 12.393 14.539 1.00 9.66 C ATOM 939 CG MET A 132 53.778 11.769 15.472 1.00 10.35 C ATOM 940 SD MET A 132 53.986 9.954 15.569 1.00 11.08 S ATOM 941 CE MET A 132 55.345 9.892 16.705 1.00 13.95 C ATOM 942 H MET A 132 56.304 13.783 13.048 1.00 0.00 H ATOM 943 N PHE A 133 56.059 14.506 16.423 1.00 9.78 N ATOM 944 CA PHE A 133 56.260 15.062 17.756 1.00 10.05 C ATOM 945 C PHE A 133 56.006 16.573 17.799 1.00 9.92 C ATOM 946 O PHE A 133 55.349 17.067 18.713 1.00 10.31 O ATOM 947 CB PHE A 133 57.642 14.690 18.284 1.00 10.91 C ATOM 948 CG PHE A 133 57.824 13.210 18.525 1.00 11.15 C ATOM 949 CD1 PHE A 133 56.977 12.525 19.365 1.00 12.33 C ATOM 950 CD2 PHE A 133 58.856 12.515 17.917 1.00 11.67 C ATOM 951 CE1 PHE A 133 57.139 11.159 19.576 1.00 13.45 C ATOM 952 CE2 PHE A 133 59.031 11.146 18.126 1.00 12.53 C ATOM 953 CZ PHE A 133 58.175 10.476 18.983 1.00 13.91 C ATOM 954 H PHE A 133 56.862 14.108 15.895 1.00 0.00 H ATOM 955 N THR A 134 56.513 17.287 16.796 1.00 10.05 N ATOM 956 CA THR A 134 56.256 18.723 16.726 1.00 10.74 C ATOM 957 C THR A 134 54.775 19.040 16.747 1.00 10.45 C ATOM 958 O THR A 134 54.334 19.956 17.451 1.00 10.97 O ATOM 959 CB THR A 134 56.912 19.323 15.498 1.00 11.69 C ATOM 960 OG1 THR A 134 58.311 19.163 15.629 1.00 12.60 O ATOM 961 CG2 THR A 134 56.582 20.793 15.318 1.00 14.05 C ATOM 962 HG1 THR A 134 58.762 19.549 14.836 1.00 0.00 H ATOM 963 H THR A 134 57.090 16.824 16.065 1.00 0.00 H ATOM 964 N ASN A 135 53.995 18.297 15.953 1.00 10.19 N ATOM 965 CA ASN A 135 52.558 18.566 15.904 1.00 10.84 C ATOM 966 C ASN A 135 51.956 18.481 17.296 1.00 10.49 C ATOM 967 O ASN A 135 51.130 19.304 17.720 1.00 11.70 O ATOM 968 CB ASN A 135 51.873 17.546 15.005 1.00 10.71 C ATOM 969 CG ASN A 135 52.204 17.719 13.534 1.00 10.94 C ATOM 970 OD1 ASN A 135 52.761 18.747 13.113 1.00 11.50 O ATOM 971 ND2 ASN A 135 51.872 16.701 12.715 1.00 11.93 N ATOM 972 HD22 ASN A 135 51.406 15.854 13.100 1.00 0.00 H ATOM 973 HD21 ASN A 135 52.081 16.762 11.698 1.00 0.00 H ATOM 974 H ASN A 135 54.407 17.536 15.376 1.00 0.00 H ATOM 975 N CYS A 136 52.339 17.433 18.040 1.00 10.14 N ATOM 976 CA CYS A 136 51.792 17.244 19.380 1.00 10.77 C ATOM 977 C CYS A 136 52.132 18.406 20.279 1.00 10.79 C ATOM 978 O CYS A 136 51.263 18.907 21.028 1.00 11.85 O ATOM 979 CB CYS A 136 52.314 15.914 19.949 1.00 11.67 C ATOM 980 SG CYS A 136 51.611 15.450 21.518 1.00 13.53 S ATOM 981 H CYS A 136 53.028 16.753 17.661 1.00 0.00 H ATOM 982 N TYR A 137 53.362 18.882 20.188 1.00 10.26 N ATOM 983 CA TYR A 137 53.829 19.952 21.063 1.00 11.04 C ATOM 984 C TYR A 137 53.282 21.328 20.704 1.00 11.36 C ATOM 985 O TYR A 137 53.231 22.195 21.596 1.00 12.06 O ATOM 986 CB TYR A 137 55.376 19.994 21.080 1.00 11.54 C ATOM 987 CG TYR A 137 56.066 18.731 21.515 1.00 11.10 C ATOM 988 CD1 TYR A 137 55.514 17.868 22.433 1.00 13.36 C ATOM 989 CD2 TYR A 137 57.278 18.404 20.985 1.00 12.18 C ATOM 990 CE1 TYR A 137 56.159 16.701 22.798 1.00 13.91 C ATOM 991 CE2 TYR A 137 57.945 17.240 21.360 1.00 12.10 C ATOM 992 CZ TYR A 137 57.378 16.394 22.267 1.00 12.75 C ATOM 993 OH TYR A 137 58.006 15.221 22.664 1.00 14.89 O ATOM 994 HH TYR A 137 58.879 15.439 23.076 1.00 0.00 H ATOM 995 H TYR A 137 54.010 18.485 19.478 1.00 0.00 H ATOM 996 N ILE A 138 52.908 21.552 19.444 1.00 12.17 N ATOM 997 CA ILE A 138 52.370 22.851 19.078 1.00 13.62 C ATOM 998 C ILE A 138 50.853 22.913 19.292 1.00 14.95 C ATOM 999 O ILE A 138 50.331 24.028 19.399 1.00 18.53 O ATOM 1000 CB ILE A 138 52.888 23.346 17.684 1.00 16.09 C ATOM 1001 CG1 ILE A 138 52.309 22.597 16.546 1.00 15.72 C ATOM 1002 CG2 ILE A 138 54.409 23.359 17.631 1.00 16.63 C ATOM 1003 CD1 ILE A 138 52.637 23.180 15.171 1.00 17.67 C ATOM 1004 H ILE A 138 53.001 20.803 18.729 1.00 0.00 H ATOM 1005 N TYR A 139 50.151 21.761 19.277 1.00 14.07 N ATOM 1006 CA TYR A 139 48.696 21.769 19.432 1.00 14.87 C ATOM 1007 C TYR A 139 48.243 21.623 20.884 1.00 15.03 C ATOM 1008 O TYR A 139 47.294 22.283 21.316 1.00 17.39 O ATOM 1009 CB TYR A 139 48.054 20.659 18.573 1.00 15.50 C ATOM 1010 CG TYR A 139 46.542 20.626 18.748 1.00 15.66 C ATOM 1011 CD1 TYR A 139 45.728 21.514 18.034 1.00 15.36 C ATOM 1012 CD2 TYR A 139 45.931 19.770 19.654 1.00 17.60 C ATOM 1013 CE1 TYR A 139 44.372 21.550 18.267 1.00 15.55 C ATOM 1014 CE2 TYR A 139 44.554 19.796 19.863 1.00 18.42 C ATOM 1015 CZ TYR A 139 43.785 20.711 19.172 1.00 17.72 C ATOM 1016 OH TYR A 139 42.415 20.802 19.362 1.00 21.02 O ATOM 1017 HH TYR A 139 42.228 21.022 20.309 1.00 0.00 H ATOM 1018 H TYR A 139 50.650 20.857 19.154 1.00 0.00 H ATOM 1019 N ASN A 140 48.834 20.693 21.618 1.00 13.56 N ATOM 1020 CA ASN A 140 48.363 20.347 22.936 1.00 14.33 C ATOM 1021 C ASN A 140 49.029 21.167 24.019 1.00 14.15 C ATOM 1022 O ASN A 140 50.157 21.563 23.891 1.00 15.36 O ATOM 1023 CB ASN A 140 48.652 18.869 23.176 1.00 14.58 C ATOM 1024 CG ASN A 140 47.887 17.979 22.247 1.00 14.01 C ATOM 1025 OD1 ASN A 140 46.656 17.792 22.390 1.00 15.93 O ATOM 1026 ND2 ASN A 140 48.575 17.418 21.290 1.00 13.34 N ATOM 1027 HD22 ASN A 140 49.596 17.600 21.207 1.00 0.00 H ATOM 1028 HD21 ASN A 140 48.103 16.789 20.610 1.00 0.00 H ATOM 1029 H ASN A 140 49.663 20.197 21.232 1.00 0.00 H ATOM 1030 N LYS A 141 48.313 21.468 25.085 1.00 16.46 N ATOM 1031 CA LYS A 141 48.877 22.304 26.140 1.00 17.65 C ATOM 1032 C LYS A 141 50.064 21.601 26.813 1.00 16.16 C ATOM 1033 O LYS A 141 50.017 20.417 27.061 1.00 18.07 O ATOM 1034 CB LYS A 141 47.797 22.616 27.179 1.00 21.75 C ATOM 1035 CG LYS A 141 46.690 23.530 26.660 1.00 32.64 C ATOM 1036 H LYS A 141 47.341 21.108 25.174 1.00 0.00 H ATOM 1037 N PRO A 142 51.132 22.342 27.137 1.00 18.61 N ATOM 1038 CA PRO A 142 52.272 21.780 27.831 1.00 19.83 C ATOM 1039 C PRO A 142 51.793 21.156 29.123 1.00 22.75 C ATOM 1040 O PRO A 142 50.883 21.690 29.788 1.00 24.15 O ATOM 1041 CB PRO A 142 53.154 22.995 28.125 1.00 21.56 C ATOM 1042 CG PRO A 142 52.852 23.889 27.009 1.00 24.34 C ATOM 1043 CD PRO A 142 51.380 23.746 26.784 1.00 21.57 C ATOM 1044 N GLY A 143 52.297 19.990 29.462 1.00 29.08 N ATOM 1045 CA GLY A 143 51.774 19.324 30.697 1.00 29.27 C ATOM 1046 C GLY A 143 50.460 18.515 30.528 1.00 26.05 C ATOM 1047 O GLY A 143 50.053 17.799 31.449 1.00 29.70 O ATOM 1048 H GLY A 143 53.039 19.542 28.888 1.00 0.00 H ATOM 1049 N ASP A 144 49.808 18.563 29.363 1.00 22.38 N ATOM 1050 CA ASP A 144 48.699 17.630 29.080 1.00 20.29 C ATOM 1051 C ASP A 144 49.318 16.204 29.045 1.00 20.41 C ATOM 1052 O ASP A 144 50.496 15.995 28.662 1.00 19.73 O ATOM 1053 CB ASP A 144 48.041 17.878 27.706 1.00 19.65 C ATOM 1054 CG ASP A 144 46.942 18.954 27.678 1.00 26.07 C ATOM 1055 OD1 ASP A 144 46.648 19.557 28.695 1.00 32.43 O ATOM 1056 OD2 ASP A 144 46.356 19.194 26.592 1.00 31.04 O ATOM 1057 H ASP A 144 50.085 19.265 28.647 1.00 0.00 H ATOM 1058 N ASP A 145 48.499 15.229 29.371 1.00 23.57 N ATOM 1059 CA ASP A 145 48.897 13.855 29.299 1.00 23.75 C ATOM 1060 C ASP A 145 49.573 13.475 27.983 1.00 20.23 C ATOM 1061 O ASP A 145 50.599 12.784 27.931 1.00 18.70 O ATOM 1062 CB ASP A 145 47.689 12.832 29.409 1.00 29.03 C ATOM 1063 CG ASP A 145 47.159 12.686 30.742 1.00 25.62 C ATOM 1064 OD1 ASP A 145 47.799 13.259 31.634 1.00 26.47 O ATOM 1065 OD2 ASP A 145 46.107 11.968 30.886 1.00 26.73 O ATOM 1066 H ASP A 145 47.537 15.461 29.690 1.00 0.00 H ATOM 1067 N ILE A 146 48.942 13.873 26.898 1.00 17.68 N ATOM 1068 CA ILE A 146 49.428 13.501 25.566 1.00 16.22 C ATOM 1069 C ILE A 146 50.850 14.002 25.346 1.00 14.31 C ATOM 1070 O ILE A 146 51.650 13.360 24.649 1.00 14.21 O ATOM 1071 CB ILE A 146 48.452 14.017 24.495 1.00 17.98 C ATOM 1072 CG1 ILE A 146 48.807 13.507 23.111 1.00 19.81 C ATOM 1073 CG2 ILE A 146 48.389 15.538 24.457 1.00 17.61 C ATOM 1074 CD1 ILE A 146 48.600 12.028 22.937 1.00 18.59 C ATOM 1075 H ILE A 146 48.087 14.459 26.987 1.00 0.00 H ATOM 1076 N VAL A 147 51.142 15.182 25.867 1.00 13.62 N ATOM 1077 CA VAL A 147 52.471 15.771 25.700 1.00 13.68 C ATOM 1078 C VAL A 147 53.518 14.986 26.478 1.00 13.23 C ATOM 1079 O VAL A 147 54.601 14.689 25.955 1.00 13.91 O ATOM 1080 CB VAL A 147 52.464 17.273 26.082 1.00 14.67 C ATOM 1081 CG1 VAL A 147 53.849 17.883 26.075 1.00 14.36 C ATOM 1082 CG2 VAL A 147 51.544 18.040 25.153 1.00 14.58 C ATOM 1083 H VAL A 147 50.416 15.699 26.403 1.00 0.00 H ATOM 1084 N LEU A 148 53.202 14.579 27.691 1.00 14.33 N ATOM 1085 CA LEU A 148 54.112 13.764 28.464 1.00 15.01 C ATOM 1086 C LEU A 148 54.332 12.407 27.783 1.00 14.44 C ATOM 1087 O LEU A 148 55.430 11.863 27.820 1.00 15.54 O ATOM 1088 CB LEU A 148 53.571 13.624 29.880 1.00 18.21 C ATOM 1089 CG LEU A 148 53.477 14.891 30.752 1.00 23.82 C ATOM 1090 CD1 LEU A 148 52.795 14.628 32.082 1.00 27.20 C ATOM 1091 CD2 LEU A 148 54.855 15.497 30.948 1.00 29.93 C ATOM 1092 H LEU A 148 52.284 14.848 28.098 1.00 0.00 H ATOM 1093 N MET A 149 53.278 11.866 27.180 1.00 14.45 N ATOM 1094 CA MET A 149 53.402 10.635 26.433 1.00 14.04 C ATOM 1095 C MET A 149 54.317 10.805 25.233 1.00 13.04 C ATOM 1096 O MET A 149 55.226 9.991 24.998 1.00 13.94 O ATOM 1097 CB MET A 149 52.023 10.137 26.012 1.00 14.05 C ATOM 1098 CG MET A 149 51.134 9.731 27.167 1.00 15.05 C ATOM 1099 SD MET A 149 49.367 9.562 26.724 1.00 16.52 S ATOM 1100 CE MET A 149 49.332 7.871 26.136 1.00 15.36 C ATOM 1101 H MET A 149 52.352 12.335 27.247 1.00 0.00 H ATOM 1102 N ALA A 150 54.096 11.862 24.446 1.00 12.41 N ATOM 1103 CA ALA A 150 54.968 12.163 23.317 1.00 11.74 C ATOM 1104 C ALA A 150 56.413 12.331 23.747 1.00 11.80 C ATOM 1105 O ALA A 150 57.321 11.848 23.073 1.00 12.69 O ATOM 1106 CB ALA A 150 54.492 13.399 22.624 1.00 12.67 C ATOM 1107 H ALA A 150 53.285 12.483 24.643 1.00 0.00 H ATOM 1108 N GLU A 151 56.629 13.022 24.884 1.00 12.55 N ATOM 1109 CA GLU A 151 57.997 13.252 25.358 1.00 13.93 C ATOM 1110 C GLU A 151 58.711 11.939 25.680 1.00 13.57 C ATOM 1111 O GLU A 151 59.890 11.767 25.360 1.00 15.38 O ATOM 1112 CB GLU A 151 58.032 14.222 26.543 1.00 15.80 C ATOM 1113 CG GLU A 151 57.683 15.630 26.160 1.00 17.09 C ATOM 1114 CD GLU A 151 57.695 16.625 27.276 1.00 24.88 C ATOM 1115 OE1 GLU A 151 57.752 16.223 28.451 1.00 30.43 O ATOM 1116 OE2 GLU A 151 57.658 17.831 26.961 1.00 27.88 O ATOM 1117 H GLU A 151 55.823 13.393 25.426 1.00 0.00 H ATOM 1118 N ALA A 152 57.993 11.010 26.292 1.00 14.78 N ATOM 1119 CA ALA A 152 58.584 9.692 26.589 1.00 15.56 C ATOM 1120 C ALA A 152 58.911 8.937 25.315 1.00 14.71 C ATOM 1121 O ALA A 152 59.976 8.348 25.201 1.00 16.13 O ATOM 1122 CB ALA A 152 57.652 8.895 27.486 1.00 16.80 C ATOM 1123 H ALA A 152 57.009 11.210 26.564 1.00 0.00 H ATOM 1124 N LEU A 153 58.000 8.981 24.336 1.00 13.91 N ATOM 1125 CA LEU A 153 58.283 8.314 23.051 1.00 14.02 C ATOM 1126 C LEU A 153 59.431 8.972 22.299 1.00 12.72 C ATOM 1127 O LEU A 153 60.273 8.300 21.701 1.00 13.67 O ATOM 1128 CB LEU A 153 57.059 8.315 22.157 1.00 13.98 C ATOM 1129 CG LEU A 153 55.907 7.501 22.679 1.00 16.51 C ATOM 1130 CD1 LEU A 153 54.677 7.813 21.872 1.00 17.06 C ATOM 1131 CD2 LEU A 153 56.191 6.005 22.643 1.00 17.34 C ATOM 1132 H LEU A 153 57.100 9.481 24.480 1.00 0.00 H ATOM 1133 N GLU A 154 59.465 10.305 22.314 1.00 12.44 N ATOM 1134 CA GLU A 154 60.530 11.007 21.638 1.00 13.02 C ATOM 1135 C GLU A 154 61.897 10.732 22.227 1.00 13.87 C ATOM 1136 O GLU A 154 62.888 10.593 21.505 1.00 14.74 O ATOM 1137 CB GLU A 154 60.241 12.524 21.631 1.00 12.51 C ATOM 1138 CG GLU A 154 61.247 13.301 20.784 1.00 12.78 C ATOM 1139 CD GLU A 154 61.146 14.804 20.925 1.00 15.78 C ATOM 1140 OE1 GLU A 154 60.581 15.301 21.915 1.00 15.53 O ATOM 1141 OE2 GLU A 154 61.768 15.444 20.072 1.00 22.70 O ATOM 1142 H GLU A 154 58.725 10.839 22.813 1.00 0.00 H ATOM 1143 N LYS A 155 61.954 10.659 23.540 1.00 15.56 N ATOM 1144 CA LYS A 155 63.221 10.318 24.188 1.00 17.79 C ATOM 1145 C LYS A 155 63.728 8.954 23.751 1.00 16.78 C ATOM 1146 O LYS A 155 64.921 8.779 23.453 1.00 18.91 O ATOM 1147 CB LYS A 155 63.043 10.399 25.687 1.00 23.16 C ATOM 1148 CG LYS A 155 63.149 11.817 26.133 1.00 29.73 C ATOM 1149 CD LYS A 155 64.567 12.333 25.930 1.00 35.04 C ATOM 1150 CE LYS A 155 64.608 13.430 24.898 1.00 30.06 C ATOM 1151 NZ LYS A 155 66.003 13.945 24.732 1.00 33.27 N ATOM 1152 HZ1 LYS A 155 66.342 14.323 25.640 1.00 0.00 H ATOM 1153 HZ2 LYS A 155 66.623 13.169 24.425 1.00 0.00 H ATOM 1154 HZ3 LYS A 155 66.010 14.700 24.017 1.00 0.00 H ATOM 1155 H LYS A 155 61.105 10.842 24.112 1.00 0.00 H ATOM 1156 N LEU A 156 62.824 7.994 23.700 1.00 15.92 N ATOM 1157 CA LEU A 156 63.186 6.647 23.257 1.00 17.48 C ATOM 1158 C LEU A 156 63.617 6.657 21.792 1.00 15.61 C ATOM 1159 O LEU A 156 64.633 6.068 21.404 1.00 17.80 O ATOM 1160 CB LEU A 156 62.023 5.733 23.475 1.00 18.30 C ATOM 1161 CG LEU A 156 62.176 4.241 23.235 1.00 22.92 C ATOM 1162 CD1 LEU A 156 63.340 3.695 24.026 1.00 28.55 C ATOM 1163 CD2 LEU A 156 60.877 3.540 23.629 1.00 26.38 C ATOM 1164 H LEU A 156 61.843 8.197 23.978 1.00 0.00 H ATOM 1165 N PHE A 157 62.875 7.389 20.967 1.00 14.63 N ATOM 1166 CA PHE A 157 63.232 7.579 19.572 1.00 14.41 C ATOM 1167 C PHE A 157 64.655 8.123 19.412 1.00 14.90 C ATOM 1168 O PHE A 157 65.483 7.589 18.679 1.00 16.35 O ATOM 1169 CB PHE A 157 62.194 8.527 18.906 1.00 13.94 C ATOM 1170 CG PHE A 157 62.558 8.968 17.528 1.00 13.18 C ATOM 1171 CD1 PHE A 157 62.468 8.110 16.471 1.00 14.90 C ATOM 1172 CD2 PHE A 157 62.921 10.287 17.285 1.00 15.42 C ATOM 1173 CE1 PHE A 157 62.834 8.502 15.208 1.00 16.59 C ATOM 1174 CE2 PHE A 157 63.249 10.713 15.998 1.00 18.70 C ATOM 1175 CZ PHE A 157 63.213 9.788 14.977 1.00 18.69 C ATOM 1176 H PHE A 157 62.012 7.840 21.332 1.00 0.00 H ATOM 1177 N LEU A 158 64.922 9.225 20.104 1.00 15.64 N ATOM 1178 CA LEU A 158 66.208 9.875 19.952 1.00 17.56 C ATOM 1179 C LEU A 158 67.356 9.010 20.468 1.00 18.47 C ATOM 1180 O LEU A 158 68.465 9.007 19.876 1.00 21.54 O ATOM 1181 CB LEU A 158 66.217 11.253 20.614 1.00 17.19 C ATOM 1182 CG LEU A 158 65.318 12.267 19.927 1.00 18.77 C ATOM 1183 CD1 LEU A 158 65.165 13.488 20.810 1.00 20.19 C ATOM 1184 CD2 LEU A 158 65.738 12.673 18.509 1.00 21.77 C ATOM 1185 H LEU A 158 64.211 9.620 20.752 1.00 0.00 H ATOM 1186 N GLN A 159 67.114 8.243 21.533 1.00 18.41 N ATOM 1187 CA GLN A 159 68.110 7.295 22.027 1.00 19.38 C ATOM 1188 C GLN A 159 68.431 6.244 20.987 1.00 20.43 C ATOM 1189 O GLN A 159 69.582 5.893 20.766 1.00 22.82 O ATOM 1190 CB GLN A 159 67.619 6.603 23.294 1.00 21.85 C ATOM 1191 CG GLN A 159 67.591 7.592 24.437 1.00 22.93 C ATOM 1192 CD GLN A 159 66.629 7.279 25.582 1.00 27.52 C ATOM 1193 OE1 GLN A 159 66.508 8.090 26.517 1.00 36.67 O ATOM 1194 NE2 GLN A 159 65.966 6.143 25.549 1.00 29.87 N ATOM 1195 HE22 GLN A 159 66.093 5.490 24.750 1.00 0.00 H ATOM 1196 HE21 GLN A 159 65.315 5.898 26.322 1.00 0.00 H ATOM 1197 H GLN A 159 66.199 8.322 22.021 1.00 0.00 H ATOM 1198 N LYS A 160 67.417 5.765 20.280 1.00 19.70 N ATOM 1199 CA LYS A 160 67.657 4.810 19.202 1.00 20.61 C ATOM 1200 C LYS A 160 68.358 5.481 18.015 1.00 18.71 C ATOM 1201 O LYS A 160 69.226 4.874 17.408 1.00 21.55 O ATOM 1202 CB LYS A 160 66.350 4.133 18.742 1.00 21.24 C ATOM 1203 CG LYS A 160 65.671 3.241 19.769 1.00 23.46 C ATOM 1204 CD LYS A 160 66.591 2.181 20.346 1.00 27.88 C ATOM 1205 CE LYS A 160 65.804 1.258 21.257 1.00 31.33 C ATOM 1206 NZ LYS A 160 66.680 0.322 22.016 1.00 33.67 N ATOM 1207 HZ1 LYS A 160 67.216 -0.268 21.348 1.00 0.00 H ATOM 1208 HZ2 LYS A 160 67.340 0.868 22.606 1.00 0.00 H ATOM 1209 HZ3 LYS A 160 66.093 -0.286 22.622 1.00 0.00 H ATOM 1210 H LYS A 160 66.446 6.071 20.494 1.00 0.00 H ATOM 1211 N ILE A 161 67.977 6.699 17.650 1.00 20.79 N ATOM 1212 CA ILE A 161 68.623 7.422 16.516 1.00 23.57 C ATOM 1213 C ILE A 161 70.094 7.742 16.763 1.00 25.85 C ATOM 1214 O ILE A 161 70.892 7.820 15.829 1.00 30.20 O ATOM 1215 CB ILE A 161 67.832 8.743 16.161 1.00 25.93 C ATOM 1216 CG1 ILE A 161 66.477 8.385 15.608 1.00 25.21 C ATOM 1217 CG2 ILE A 161 68.590 9.624 15.161 1.00 28.52 C ATOM 1218 CD1 ILE A 161 66.489 7.388 14.478 1.00 22.07 C ATOM 1219 H ILE A 161 67.205 7.163 18.170 1.00 0.00 H ATOM 1220 N ASN A 162 70.454 7.919 18.016 1.00 26.03 N ATOM 1221 CA ASN A 162 71.849 8.164 18.376 1.00 29.98 C ATOM 1222 C ASN A 162 72.670 6.912 18.131 1.00 34.93 C ATOM 1223 O ASN A 162 73.888 7.014 18.021 1.00 43.02 O ATOM 1224 CB ASN A 162 71.958 8.631 19.832 1.00 34.05 C ATOM 1225 CG ASN A 162 71.270 9.981 20.083 1.00 49.70 C ATOM 1226 OD1 ASN A 162 70.862 10.687 19.145 1.00 59.44 O ATOM 1227 ND2 ASN A 162 71.122 10.338 21.362 1.00 59.03 N ATOM 1228 HD22 ASN A 162 71.477 9.720 22.119 1.00 0.00 H ATOM 1229 HD21 ASN A 162 70.652 11.234 21.601 1.00 0.00 H ATOM 1230 H ASN A 162 69.732 7.884 18.764 1.00 0.00 H ATOM 1231 N GLU A 163 72.020 5.748 18.036 1.00 29.50 N ATOM 1232 CA GLU A 163 72.671 4.498 17.595 1.00 30.97 C ATOM 1233 C GLU A 163 72.353 4.082 16.135 1.00 28.16 C ATOM 1234 O GLU A 163 72.521 2.910 15.782 1.00 29.45 O ATOM 1235 CB GLU A 163 72.303 3.340 18.538 1.00 30.51 C ATOM 1236 CG GLU A 163 72.665 3.538 20.012 1.00 35.89 C ATOM 1237 CD GLU A 163 71.760 2.734 20.944 1.00 42.46 C ATOM 1238 OE1 GLU A 163 71.001 3.364 21.711 1.00 66.39 O ATOM 1239 OE2 GLU A 163 71.756 1.482 20.897 1.00 40.05 O ATOM 1240 H GLU A 163 71.010 5.721 18.284 1.00 0.00 H ATOM 1241 N LEU A 164 71.951 5.029 15.276 1.00 27.35 N ATOM 1242 CA LEU A 164 71.665 4.743 13.859 1.00 27.15 C ATOM 1243 C LEU A 164 72.934 4.208 13.164 1.00 25.53 C ATOM 1244 O LEU A 164 74.007 4.808 13.287 1.00 27.53 O ATOM 1245 CB LEU A 164 71.199 6.019 13.127 1.00 29.66 C ATOM 1246 CG LEU A 164 70.570 5.914 11.737 1.00 26.60 C ATOM 1247 CD1 LEU A 164 69.233 5.205 11.856 1.00 24.95 C ATOM 1248 CD2 LEU A 164 70.445 7.282 11.085 1.00 31.41 C ATOM 1249 H LEU A 164 71.837 6.003 15.623 1.00 0.00 H ATOM 1250 N PRO A 165 72.813 3.095 12.392 1.00 25.19 N ATOM 1251 CA PRO A 165 73.939 2.675 11.560 1.00 24.86 C ATOM 1252 C PRO A 165 74.384 3.751 10.589 1.00 26.11 C ATOM 1253 O PRO A 165 73.620 4.656 10.270 1.00 30.34 O ATOM 1254 CB PRO A 165 73.390 1.491 10.755 1.00 30.06 C ATOM 1255 CG PRO A 165 72.126 1.080 11.404 1.00 25.80 C ATOM 1256 CD PRO A 165 71.616 2.238 12.203 1.00 22.03 C ATOM 1257 N THR A 166 75.608 3.611 10.082 1.00 30.15 N ATOM 1258 CA THR A 166 76.162 4.519 9.070 1.00 31.81 C ATOM 1259 C THR A 166 75.472 4.438 7.704 1.00 43.16 C ATOM 1260 O THR A 166 74.873 3.416 7.360 1.00 41.02 O ATOM 1261 CB THR A 166 77.657 4.252 8.842 1.00 33.90 C ATOM 1262 OG1 THR A 166 77.861 2.934 8.288 1.00 40.83 O ATOM 1263 CG2 THR A 166 78.435 4.411 10.143 1.00 36.34 C ATOM 1264 HG1 THR A 166 77.387 2.864 7.422 1.00 0.00 H ATOM 1265 H THR A 166 76.198 2.823 10.418 1.00 0.00 H TER 1266 THR A 166 HETATM 1267 O HOH 1 59.417 18.950 12.922 1.00 27.57 O HETATM 1268 O HOH 2 49.358 5.899 -0.833 1.00 30.85 O HETATM 1269 O HOH 3 45.505 21.016 25.151 1.00 30.57 O HETATM 1270 O HOH 4 59.907 11.413 -0.803 1.00 42.35 O HETATM 1271 O HOH 5 64.515 15.729 10.823 1.00 34.57 O HETATM 1272 O HOH 6 75.823 0.998 7.577 1.00 32.84 O HETATM 1273 O HOH 7 49.431 16.218 17.217 1.00 12.93 O HETATM 1274 O HOH 8 48.795 1.484 27.086 1.00 27.35 O HETATM 1275 O HOH 9 45.341 17.635 24.728 1.00 42.96 O HETATM 1276 O HOH 10 56.402 0.410 -12.079 1.00 17.06 O HETATM 1277 O HOH 11 58.590 -1.285 -6.795 1.00 34.33 O HETATM 1278 O HOH 12 59.707 20.070 13.573 1.00 22.44 O HETATM 1279 O HOH 13 70.442 0.604 -1.057 1.00 35.99 O HETATM 1280 O HOH 14 61.452 14.722 17.435 1.00 19.36 O HETATM 1281 O HOH 15 57.311 19.160 9.489 1.00 30.42 O HETATM 1282 O HOH 16 51.603 -0.021 22.286 1.00 18.85 O HETATM 1283 O HOH 17 46.058 20.539 7.823 1.00 25.54 O HETATM 1284 O HOH 18 42.406 7.865 12.381 1.00 20.26 O HETATM 1285 O HOH 19 55.080 6.130 -8.907 1.00 24.07 O HETATM 1286 O HOH 20 49.894 24.127 30.376 1.00 47.09 O HETATM 1287 O HOH 21 47.884 6.244 2.607 1.00 32.21 O HETATM 1288 O HOH 22 50.067 12.275 15.400 1.00 15.76 O HETATM 1289 O HOH 23 44.033 2.583 15.319 1.00 35.23 O HETATM 1290 O HOH 24 49.504 14.775 13.432 1.00 16.40 O HETATM 1291 O HOH 25 46.629 14.027 6.198 1.00 19.78 O HETATM 1292 O HOH 26 45.370 9.427 0.953 1.00 42.28 O HETATM 1293 O HOH 27 58.953 14.245 29.902 1.00 28.87 O HETATM 1294 O HOH 28 58.768 -0.566 23.766 1.00 36.41 O HETATM 1295 O HOH 29 76.738 -2.318 5.484 1.00 30.89 O HETATM 1296 O HOH 30 52.418 20.365 10.925 1.00 16.05 O HETATM 1297 O HOH 31 46.957 3.037 11.777 1.00 64.52 O HETATM 1298 O HOH 32 45.420 2.913 18.615 1.00 22.75 O HETATM 1299 O HOH 33 40.336 22.343 18.415 1.00 20.43 O HETATM 1300 O HOH 34 61.487 0.479 3.998 1.00 12.30 O HETATM 1301 O HOH 35 66.272 4.531 -2.191 1.00 33.01 O HETATM 1302 O HOH 36 48.118 10.524 16.004 1.00 12.15 O HETATM 1303 O HOH 37 57.348 15.179 7.763 1.00 19.00 O HETATM 1304 O HOH 38 64.305 3.126 -0.714 1.00 13.04 O HETATM 1305 O HOH 39 48.352 7.221 6.036 1.00 21.04 O HETATM 1306 O HOH 40 61.114 7.327 27.525 1.00 23.92 O HETATM 1307 O HOH 41 59.229 12.669 5.090 1.00 26.07 O HETATM 1308 O HOH 42 55.949 13.231 4.776 1.00 22.26 O HETATM 1309 O HOH 43 48.457 11.816 10.092 1.00 13.25 O HETATM 1310 O HOH 44 51.242 14.142 17.070 1.00 13.65 O HETATM 1311 O HOH 45 38.716 7.206 14.901 1.00 36.90 O HETATM 1312 O HOH 46 51.880 1.870 -4.751 1.00 31.37 O HETATM 1313 O HOH 47 53.000 21.401 24.265 1.00 16.49 O HETATM 1314 O HOH 48 51.267 14.958 5.803 1.00 22.10 O HETATM 1315 O HOH 49 43.575 11.748 7.998 1.00 15.93 O HETATM 1316 O HOH 50 46.925 15.927 31.697 1.00 35.84 O HETATM 1317 O HOH 51 41.895 11.928 10.204 1.00 16.96 O HETATM 1318 O HOH 52 40.466 10.651 6.327 1.00 29.83 O HETATM 1319 O HOH 53 41.815 27.043 18.342 1.00 39.37 O HETATM 1320 O HOH 54 59.661 5.104 28.325 1.00 26.37 O HETATM 1321 O HOH 55 63.044 -0.717 5.962 1.00 15.38 O HETATM 1322 O HOH 56 50.670 -1.414 8.917 1.00 30.82 O HETATM 1323 O HOH 57 38.907 13.590 2.949 1.00 35.67 O HETATM 1324 O HOH 58 57.341 11.971 29.907 1.00 32.79 O HETATM 1325 O HOH 59 68.865 5.408 4.074 1.00 21.19 O HETATM 1326 O HOH 60 48.003 25.648 19.521 1.00 25.39 O HETATM 1327 O HOH 61 47.965 5.906 7.786 1.00 32.48 O HETATM 1328 O HOH 62 56.318 -3.824 17.733 1.00 33.47 O HETATM 1329 O HOH 63 35.245 10.497 12.102 1.00 34.54 O HETATM 1330 O HOH 64 40.522 19.905 12.507 1.00 16.98 O HETATM 1331 O HOH 65 56.363 2.492 -2.166 1.00 18.46 O HETATM 1332 O HOH 66 45.987 0.527 20.223 1.00 30.20 O HETATM 1333 O HOH 67 36.281 26.546 14.848 1.00 26.39 O HETATM 1334 O HOH 68 63.722 5.886 27.322 1.00 32.51 O HETATM 1335 O HOH 69 53.947 -3.635 0.370 1.00 43.14 O HETATM 1336 O HOH 70 34.094 18.958 15.119 1.00 38.90 O HETATM 1337 O HOH 71 68.629 -5.051 3.480 1.00 17.48 O HETATM 1338 O HOH 72 55.862 12.211 1.511 1.00 35.54 O HETATM 1339 O HOH 73 38.401 10.221 8.260 1.00 37.82 O HETATM 1340 O HOH 74 58.037 1.109 -3.932 1.00 45.98 O HETATM 1341 O HOH 75 44.850 9.436 16.661 1.00 23.83 O HETATM 1342 O HOH 76 42.241 9.699 16.260 1.00 33.92 O HETATM 1343 O HOH 77 53.418 13.247 2.369 1.00 30.37 O HETATM 1344 O HOH 78 61.837 -6.533 7.831 1.00 32.80 O HETATM 1345 O HOH 79 47.364 13.028 12.303 1.00 16.96 O HETATM 1346 O HOH 80 51.035 12.459 1.358 1.00 29.66 O HETATM 1347 O HOH 81 50.010 1.109 10.165 1.00 23.86 O HETATM 1348 O HOH 82 51.775 23.126 11.546 1.00 29.79 O HETATM 1349 O HOH 83 32.981 13.863 8.523 1.00 27.32 O HETATM 1350 O HOH 84 60.368 5.484 -10.033 1.00 22.71 O HETATM 1351 O HOH 85 61.271 3.072 2.970 1.00 11.84 O HETATM 1352 O HOH 86 72.205 2.871 5.681 1.00 26.05 O HETATM 1353 O HOH 87 61.879 -2.799 -7.411 1.00 22.14 O HETATM 1354 O HOH 88 72.985 0.526 3.543 1.00 24.42 O HETATM 1355 O HOH 89 53.103 4.148 -14.402 1.00 40.26 O HETATM 1356 O HOH 90 69.247 9.394 4.941 1.00 25.42 O HETATM 1357 O HOH 91 49.650 -2.599 12.477 1.00 51.32 O HETATM 1358 O HOH 92 49.277 1.088 2.272 1.00 32.90 O HETATM 1359 O HOH 93 57.776 -2.923 0.088 1.00 21.21 O HETATM 1360 O HOH 94 58.378 6.849 -8.716 1.00 31.77 O HETATM 1361 O HOH 95 34.706 11.332 9.766 1.00 40.95 O HETATM 1362 O HOH 96 49.917 1.787 23.248 1.00 21.66 O HETATM 1363 O HOH 97 67.979 -3.603 -1.573 1.00 30.31 O HETATM 1364 O HOH 98 47.331 4.160 9.451 1.00 38.08 O HETATM 1365 O HOH 99 46.813 5.376 5.242 1.00 30.44 O HETATM 1366 O HOH 100 56.485 7.583 -13.095 1.00 40.68 O HETATM 1367 O HOH 101 46.106 12.715 8.585 1.00 19.17 O HETATM 1368 O HOH 102 55.685 20.431 28.176 1.00 62.97 O HETATM 1369 O HOH 103 61.590 -3.842 0.345 1.00 21.66 O HETATM 1370 O HOH 104 53.176 -7.181 20.863 1.00 42.66 O HETATM 1371 O HOH 105 58.203 11.487 2.532 1.00 30.03 O HETATM 1372 O HOH 106 57.513 20.030 11.603 1.00 33.51 O HETATM 1373 O HOH 107 59.949 -6.422 9.613 1.00 38.77 O HETATM 1374 O HOH 108 40.929 9.496 10.761 1.00 31.71 O HETATM 1375 O HOH 109 63.279 14.882 4.671 1.00 35.99 O HETATM 1376 O HOH 110 42.693 9.051 7.850 1.00 25.73 O HETATM 1377 O HOH 111 60.585 -6.299 13.036 1.00 11.30 O HETATM 1378 O HOH 112 41.642 3.784 15.306 1.00 44.19 O HETATM 1379 O HOH 113 48.766 14.782 4.660 1.00 26.86 O HETATM 1380 O HOH 114 30.071 21.011 16.930 1.00 36.75 O HETATM 1381 O HOH 115 42.819 28.002 14.761 1.00 34.38 O HETATM 1382 O HOH 116 55.752 -2.779 14.591 1.00 34.97 O HETATM 1383 O HOH 117 45.009 12.930 -1.251 1.00 33.00 O HETATM 1384 O HOH 118 49.052 14.193 2.058 1.00 44.84 O HETATM 1385 O HOH 119 69.374 3.359 -1.528 1.00 39.30 O HETATM 1386 O HOH 120 46.350 17.232 4.038 1.00 35.65 O HETATM 1387 O HOH 121 63.804 -1.935 -9.380 1.00 37.81 O HETATM 1388 O HOH 122 31.730 15.692 10.028 1.00 34.55 O HETATM 1389 O HOH 123 38.764 28.782 8.322 1.00 30.18 O HETATM 1390 O HOH 124 55.798 23.464 9.489 1.00 42.68 O HETATM 1391 O HOH 125 47.203 27.682 17.981 1.00 33.15 O HETATM 1392 O HOH 126 51.683 1.697 33.533 1.00 34.62 O HETATM 1393 O HOH 127 46.979 16.795 1.329 1.00 39.86 O HETATM 1394 O HOH 128 58.805 22.429 9.806 1.00 42.14 O HETATM 1395 O HOH 129 32.853 18.023 10.776 1.00 35.36 O HETATM 1396 O HOH 130 45.809 24.433 20.226 1.00 32.72 O HETATM 1397 O HOH 131 38.238 16.589 24.010 1.00 37.89 O HETATM 1398 O HOH 132 45.483 11.050 18.991 1.00 16.96 O HETATM 1399 O HOH 133 40.416 13.263 22.788 1.00 38.02 O HETATM 1400 O HOH 134 39.005 23.975 19.168 1.00 34.37 O HETATM 1401 O HOH 135 38.154 7.730 33.699 1.00 29.59 O HETATM 1402 O HOH 136 34.064 18.402 24.043 1.00 39.43 O HETATM 1403 O HOH 137 39.987 17.361 28.393 1.00 34.85 O HETATM 1404 O HOH 138 47.881 5.070 28.454 1.00 26.88 O HETATM 1405 O HOH 139 45.370 15.033 26.600 1.00 23.62 O HETATM 1406 O HOH 140 43.084 9.259 36.675 1.00 29.71 O HETATM 1407 O HOH 141 51.657 9.859 31.493 1.00 46.03 O HETATM 1408 O HOH 142 37.678 16.795 27.161 1.00 44.05 O HETATM 1409 N GLY A 143 43.305 25.326 20.242 1.00 0.24 N HETATM 1410 CA GLY A 143 42.120 24.452 20.050 1.00 0.05 C HETATM 1411 C GLY A 143 41.836 23.595 21.270 1.00 0.22 C HETATM 1412 O GLY A 143 42.686 23.444 22.150 1.00 -0.39 O HETATM 1413 N GLY A 143 40.623 23.043 21.308 1.00 -0.26 N HETATM 1414 CA GLY A 143 40.150 22.157 22.371 1.00 0.13 C HETATM 1415 C GLY A 143 41.160 21.084 22.790 1.00 0.20 C HETATM 1416 O GLY A 143 41.847 20.473 21.946 1.00 -0.39 O HETATM 1417 N GLY A 143 41.247 20.863 24.099 1.00 -0.26 N HETATM 1418 CA GLY A 143 42.086 19.809 24.665 1.00 0.13 C HETATM 1419 C GLY A 143 41.574 18.430 24.270 1.00 0.20 C HETATM 1420 O GLY A 143 40.368 18.225 24.114 1.00 -0.39 O HETATM 1421 N GLY A 143 42.498 17.478 24.126 1.00 -0.26 N HETATM 1422 CA GLY A 143 42.141 16.072 23.973 1.00 0.13 C HETATM 1423 CB GLY A 143 43.306 15.224 23.398 1.00 -0.01 C HETATM 1424 CG GLY A 143 43.644 15.584 21.924 1.00 -0.05 C HETATM 1425 CD GLY A 143 44.752 14.719 21.300 1.00 -0.03 C HETATM 1426 CE GLY A 143 45.045 14.966 19.782 1.00 0.03 C HETATM 1427 NZ GLY A 143 46.087 14.034 19.306 1.00 -0.29 N HETATM 1428 CH GLY A 143 47.371 14.343 19.092 1.00 0.17 C HETATM 1429 OH GLY A 143 47.813 15.503 19.249 1.00 -0.40 O HETATM 1430 CH3 GLY A 143 48.282 13.239 18.640 1.00 0.03 C HETATM 1431 H24 GLY A 143 47.712 12.302 18.562 1.00 0.05 H HETATM 1432 H25 GLY A 143 49.096 13.113 19.370 1.00 0.05 H HETATM 1433 H26 GLY A 143 48.706 13.493 17.657 1.00 0.05 H HETATM 1434 H27 GLY A 143 45.809 13.090 19.128 1.00 0.18 H HETATM 1435 H28 GLY A 143 44.123 14.807 19.203 1.00 0.05 H HETATM 1436 H29 GLY A 143 45.392 16.001 19.642 1.00 0.05 H HETATM 1437 H30 GLY A 143 45.681 14.910 21.857 1.00 0.03 H HETATM 1438 H31 GLY A 143 44.463 13.665 21.419 1.00 0.03 H HETATM 1439 H32 GLY A 143 42.732 15.463 21.322 1.00 0.03 H HETATM 1440 H33 GLY A 143 43.968 16.635 21.892 1.00 0.03 H HETATM 1441 H34 GLY A 143 44.201 15.393 24.015 1.00 0.03 H HETATM 1442 H35 GLY A 143 43.023 14.162 23.444 1.00 0.03 H HETATM 1443 C GLY A 143 41.666 15.575 25.339 1.00 0.20 C HETATM 1444 O GLY A 143 41.860 16.229 26.422 1.00 -0.39 O HETATM 1445 N GLY A 143 41.007 14.433 25.298 1.00 -0.27 N HETATM 1446 CA GLY A 143 40.542 13.775 26.487 1.00 0.12 C HETATM 1447 C GLY A 143 41.623 13.229 27.414 1.00 0.20 C HETATM 1448 O GLY A 143 42.819 13.451 27.289 1.00 -0.39 O HETATM 1449 N GLY A 143 41.174 12.483 28.391 1.00 -0.26 N HETATM 1450 CA GLY A 143 42.099 11.885 29.382 1.00 0.13 C HETATM 1451 C GLY A 143 42.770 10.708 28.696 1.00 0.20 C HETATM 1452 O GLY A 143 42.120 9.971 27.956 1.00 -0.39 O HETATM 1453 N GLY A 143 44.077 10.546 28.918 1.00 -0.26 N HETATM 1454 CA GLY A 143 44.864 9.458 28.276 1.00 0.13 C HETATM 1455 CB GLY A 143 45.822 9.944 27.236 1.00 -0.01 C HETATM 1456 CG GLY A 143 45.243 11.072 26.436 1.00 -0.05 C HETATM 1457 CD GLY A 143 45.293 10.798 24.977 1.00 -0.03 C HETATM 1458 CE GLY A 143 44.464 11.810 24.201 1.00 0.03 C HETATM 1459 NZ GLY A 143 43.450 11.088 23.422 1.00 -0.29 N HETATM 1460 CH GLY A 143 43.724 10.699 22.156 1.00 0.17 C HETATM 1461 OH GLY A 143 44.771 11.013 21.644 1.00 -0.40 O HETATM 1462 CH3 GLY A 143 42.707 9.923 21.379 1.00 0.03 C HETATM 1463 H54 GLY A 143 41.828 9.734 22.012 1.00 0.05 H HETATM 1464 H55 GLY A 143 43.142 8.964 21.061 1.00 0.05 H HETATM 1465 H56 GLY A 143 42.404 10.500 20.493 1.00 0.05 H HETATM 1466 H57 GLY A 143 42.559 10.884 23.827 1.00 0.18 H HETATM 1467 H58 GLY A 143 43.971 12.500 24.902 1.00 0.05 H HETATM 1468 H59 GLY A 143 45.116 12.380 23.523 1.00 0.05 H HETATM 1469 H60 GLY A 143 46.338 10.853 24.637 1.00 0.03 H HETATM 1470 H61 GLY A 143 44.898 9.789 24.787 1.00 0.03 H HETATM 1471 H62 GLY A 143 44.195 11.219 26.735 1.00 0.03 H HETATM 1472 H63 GLY A 143 45.816 11.988 26.646 1.00 0.03 H HETATM 1473 H64 GLY A 143 46.740 10.292 27.732 1.00 0.03 H HETATM 1474 H65 GLY A 143 46.064 9.113 26.558 1.00 0.03 H HETATM 1475 C GLY A 143 45.689 8.555 29.138 1.00 0.20 C HETATM 1476 O GLY A 143 46.130 7.492 28.680 1.00 -0.39 O HETATM 1477 N GLY A 143 46.030 9.003 30.319 1.00 -0.26 N HETATM 1478 CA GLY A 143 46.681 8.112 31.228 1.00 0.16 C HETATM 1479 C GLY A 143 46.035 8.120 32.551 1.00 0.21 C HETATM 1480 O GLY A 143 45.191 8.992 32.862 1.00 -0.39 O HETATM 1481 N GLY A 143 46.433 7.075 33.275 1.00 -0.26 N HETATM 1482 CA GLY A 143 45.971 6.750 34.563 1.00 0.13 C HETATM 1483 C GLY A 143 46.997 7.194 35.566 1.00 0.20 C HETATM 1484 O GLY A 143 48.133 6.733 35.543 1.00 -0.39 O HETATM 1485 N GLY A 143 46.590 8.133 36.408 1.00 -0.27 N HETATM 1486 CA GLY A 143 47.370 8.584 37.547 1.00 0.09 C HETATM 1487 C GLY A 143 46.634 8.164 38.805 1.00 0.06 C HETATM 1488 O GLY A 143 45.617 8.761 39.155 1.00 -0.57 O HETATM 1489 OXT GLY A 143 47.051 7.225 39.481 1.00 -0.57 O HETATM 1490 CB GLY A 143 47.532 10.108 37.502 1.00 -0.03 C HETATM 1491 H85 GLY A 143 48.124 10.440 38.368 1.00 0.03 H HETATM 1492 H86 GLY A 143 46.540 10.583 37.532 1.00 0.03 H HETATM 1493 H87 GLY A 143 48.048 10.395 36.574 1.00 0.03 H HETATM 1494 H84 GLY A 143 48.364 8.114 37.526 1.00 0.07 H HETATM 1495 H83 GLY A 143 45.697 8.554 36.250 1.00 0.19 H HETATM 1496 CB GLY A 143 45.838 5.244 34.634 1.00 0.00 C HETATM 1497 CG GLY A 143 45.032 4.697 33.477 1.00 0.04 C HETATM 1498 CD GLY A 143 43.731 5.431 33.228 1.00 0.17 C HETATM 1499 OE1 GLY A 143 43.643 6.273 32.323 1.00 -0.40 O HETATM 1500 NE2 GLY A 143 42.716 5.139 34.040 1.00 -0.30 N HETATM 1501 H81 GLY A 143 41.834 5.594 33.921 1.00 0.18 H HETATM 1502 H82 GLY A 143 42.837 4.465 34.769 1.00 0.18 H HETATM 1503 H79 GLY A 143 44.799 3.643 33.686 1.00 0.05 H HETATM 1504 H80 GLY A 143 45.646 4.763 32.566 1.00 0.05 H HETATM 1505 H77 GLY A 143 45.337 4.975 35.576 1.00 0.03 H HETATM 1506 H78 GLY A 143 46.843 4.796 34.611 1.00 0.03 H HETATM 1507 H76 GLY A 143 45.004 7.234 34.763 1.00 0.08 H HETATM 1508 H75 GLY A 143 47.118 6.471 32.868 1.00 0.19 H HETATM 1509 CB GLY A 143 48.152 8.459 31.394 1.00 0.09 C HETATM 1510 OG1 GLY A 143 48.282 9.826 31.751 1.00 -0.39 O HETATM 1511 H71 GLY A 143 47.905 10.368 31.068 1.00 0.21 H HETATM 1512 CG2 GLY A 143 48.897 8.184 30.155 1.00 -0.03 C HETATM 1513 H72 GLY A 143 49.956 8.442 30.299 1.00 0.03 H HETATM 1514 H73 GLY A 143 48.481 8.788 29.335 1.00 0.03 H HETATM 1515 H74 GLY A 143 48.811 7.116 29.905 1.00 0.03 H HETATM 1516 H70 GLY A 143 48.572 7.840 32.200 1.00 0.06 H HETATM 1517 H69 GLY A 143 46.609 7.096 30.814 1.00 0.08 H HETATM 1518 H68 GLY A 143 45.839 9.949 30.581 1.00 0.19 H HETATM 1519 H66 GLY A 143 44.117 8.824 27.776 1.00 0.08 H HETATM 1520 H67 GLY A 143 44.543 11.178 29.537 1.00 0.19 H HETATM 1521 CB GLY A 143 41.307 11.496 30.625 1.00 -0.01 C HETATM 1522 CG GLY A 143 41.962 10.521 31.614 1.00 -0.04 C HETATM 1523 CD GLY A 143 40.979 10.185 32.726 1.00 -0.01 C HETATM 1524 CE GLY A 143 41.440 9.090 33.692 1.00 -0.04 C HETATM 1525 NZ GLY A 143 40.504 8.861 34.832 1.00 0.22 N HETATM 1526 H51 GLY A 143 40.868 8.131 35.424 1.00 0.20 H HETATM 1527 H52 GLY A 143 39.602 8.586 34.476 1.00 0.20 H HETATM 1528 H53 GLY A 143 40.410 9.711 35.365 1.00 0.20 H HETATM 1529 H49 GLY A 143 42.420 9.377 34.100 1.00 0.08 H HETATM 1530 H50 GLY A 143 41.538 8.150 33.130 1.00 0.08 H HETATM 1531 H47 GLY A 143 40.038 9.855 32.261 1.00 0.03 H HETATM 1532 H48 GLY A 143 40.799 11.100 33.309 1.00 0.03 H HETATM 1533 H45 GLY A 143 42.859 10.987 32.047 1.00 0.03 H HETATM 1534 H46 GLY A 143 42.246 9.599 31.085 1.00 0.03 H HETATM 1535 H43 GLY A 143 40.367 11.037 30.285 1.00 0.03 H HETATM 1536 H44 GLY A 143 41.084 12.422 31.176 1.00 0.03 H HETATM 1537 H42 GLY A 143 42.867 12.618 29.670 1.00 0.08 H HETATM 1538 H41 GLY A 143 40.191 12.314 28.470 1.00 0.19 H HETATM 1539 H39 GLY A 143 39.906 12.932 26.179 1.00 0.08 H HETATM 1540 H40 GLY A 143 39.942 14.498 27.059 1.00 0.08 H HETATM 1541 H38 GLY A 143 40.825 14.011 24.410 1.00 0.19 H HETATM 1542 H36 GLY A 143 41.302 16.000 23.266 1.00 0.08 H HETATM 1543 H37 GLY A 143 43.464 17.736 24.123 1.00 0.19 H HETATM 1544 CB GLY A 143 42.127 19.936 26.185 1.00 -0.02 C HETATM 1545 H21 GLY A 143 42.760 19.139 26.602 1.00 0.03 H HETATM 1546 H22 GLY A 143 41.108 19.843 26.588 1.00 0.03 H HETATM 1547 H23 GLY A 143 42.543 20.917 26.460 1.00 0.03 H HETATM 1548 H20 GLY A 143 43.107 19.927 24.273 1.00 0.08 H HETATM 1549 H19 GLY A 143 40.717 21.441 24.720 1.00 0.19 H HETATM 1550 CB GLY A 143 38.798 21.527 21.961 1.00 -0.01 C HETATM 1551 CG GLY A 143 38.165 20.604 23.006 1.00 -0.04 C HETATM 1552 CD GLY A 143 36.643 20.517 22.927 1.00 -0.01 C HETATM 1553 CE GLY A 143 36.135 19.397 22.043 1.00 -0.04 C HETATM 1554 NZ GLY A 143 36.489 18.014 22.479 1.00 0.22 N HETATM 1555 H16 GLY A 143 36.106 17.348 21.827 1.00 0.20 H HETATM 1556 H17 GLY A 143 36.108 17.843 23.397 1.00 0.20 H HETATM 1557 H18 GLY A 143 37.492 17.917 22.508 1.00 0.20 H HETATM 1558 H14 GLY A 143 36.548 19.549 21.035 1.00 0.08 H HETATM 1559 H15 GLY A 143 35.038 19.468 22.005 1.00 0.08 H HETATM 1560 H12 GLY A 143 36.262 21.470 22.531 1.00 0.03 H HETATM 1561 H13 GLY A 143 36.252 20.360 23.943 1.00 0.03 H HETATM 1562 H10 GLY A 143 38.438 20.976 24.005 1.00 0.03 H HETATM 1563 H11 GLY A 143 38.576 19.593 22.867 1.00 0.03 H HETATM 1564 H8 GLY A 143 38.959 20.942 21.044 1.00 0.03 H HETATM 1565 H9 GLY A 143 38.090 22.344 21.755 1.00 0.03 H HETATM 1566 H7 GLY A 143 39.969 22.784 23.256 1.00 0.08 H HETATM 1567 H6 GLY A 143 39.994 23.249 20.559 1.00 0.19 H HETATM 1568 H4 GLY A 143 42.302 23.793 19.189 1.00 0.11 H HETATM 1569 H5 GLY A 143 41.242 25.084 19.849 1.00 0.11 H HETATM 1570 H1 GLY A 143 43.456 25.875 19.410 1.00 0.20 H HETATM 1571 H2 GLY A 143 44.117 24.756 20.420 1.00 0.20 H HETATM 1572 H3 GLY A 143 43.146 25.940 21.026 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1409 1410 1570 1571 1572 CONECT 1410 1409 1411 1568 1569 CONECT 1411 1410 1412 1413 CONECT 1412 1411 CONECT 1413 1411 1414 1567 CONECT 1414 1413 1415 1550 1566 CONECT 1415 1414 1416 1417 CONECT 1416 1415 CONECT 1417 1415 1418 1549 CONECT 1418 1417 1419 1544 1548 CONECT 1419 1418 1420 1421 CONECT 1420 1419 CONECT 1421 1419 1422 1543 CONECT 1422 1421 1423 1443 1542 CONECT 1423 1422 1424 1441 1442 CONECT 1424 1423 1425 1439 1440 CONECT 1425 1424 1426 1437 1438 CONECT 1426 1425 1427 1435 1436 CONECT 1427 1426 1428 1434 CONECT 1428 1427 1429 1430 CONECT 1429 1428 CONECT 1430 1428 1431 1432 1433 CONECT 1431 1430 CONECT 1432 1430 CONECT 1433 1430 CONECT 1434 1427 CONECT 1435 1426 CONECT 1436 1426 CONECT 1437 1425 CONECT 1438 1425 CONECT 1439 1424 CONECT 1440 1424 CONECT 1441 1423 CONECT 1442 1423 CONECT 1443 1422 1444 1445 CONECT 1444 1443 CONECT 1445 1443 1446 1541 CONECT 1446 1445 1447 1539 1540 CONECT 1447 1446 1448 1449 CONECT 1448 1447 CONECT 1449 1447 1450 1538 CONECT 1450 1449 1451 1521 1537 CONECT 1451 1450 1452 1453 CONECT 1452 1451 CONECT 1453 1451 1454 1520 CONECT 1454 1453 1455 1475 1519 CONECT 1455 1454 1456 1473 1474 CONECT 1456 1455 1457 1471 1472 CONECT 1457 1456 1458 1469 1470 CONECT 1458 1457 1459 1467 1468 CONECT 1459 1458 1460 1466 CONECT 1460 1459 1461 1462 CONECT 1461 1460 CONECT 1462 1460 1463 1464 1465 CONECT 1463 1462 CONECT 1464 1462 CONECT 1465 1462 CONECT 1466 1459 CONECT 1467 1458 CONECT 1468 1458 CONECT 1469 1457 CONECT 1470 1457 CONECT 1471 1456 CONECT 1472 1456 CONECT 1473 1455 CONECT 1474 1455 CONECT 1475 1454 1476 1477 CONECT 1476 1475 CONECT 1477 1475 1478 1518 CONECT 1478 1477 1479 1509 1517 CONECT 1479 1478 1480 1481 CONECT 1480 1479 CONECT 1481 1479 1482 1508 CONECT 1482 1481 1483 1496 1507 CONECT 1483 1482 1484 1485 CONECT 1484 1483 CONECT 1485 1483 1486 1495 CONECT 1486 1485 1487 1490 1494 CONECT 1487 1486 1488 1489 CONECT 1488 1487 CONECT 1489 1487 CONECT 1490 1486 1491 1492 1493 CONECT 1491 1490 CONECT 1492 1490 CONECT 1493 1490 CONECT 1494 1486 CONECT 1495 1485 CONECT 1496 1482 1497 1505 1506 CONECT 1497 1496 1498 1503 1504 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 1501 1502 CONECT 1501 1500 CONECT 1502 1500 CONECT 1503 1497 CONECT 1504 1497 CONECT 1505 1496 CONECT 1506 1496 CONECT 1507 1482 CONECT 1508 1481 CONECT 1509 1478 1510 1512 1516 CONECT 1510 1509 1511 CONECT 1511 1510 CONECT 1512 1509 1513 1514 1515 CONECT 1513 1512 CONECT 1514 1512 CONECT 1515 1512 CONECT 1516 1509 CONECT 1517 1478 CONECT 1518 1477 CONECT 1519 1454 CONECT 1520 1453 CONECT 1521 1450 1522 1535 1536 CONECT 1522 1521 1523 1533 1534 CONECT 1523 1522 1524 1531 1532 CONECT 1524 1523 1525 1529 1530 CONECT 1525 1524 1526 1527 1528 CONECT 1526 1525 CONECT 1527 1525 CONECT 1528 1525 CONECT 1529 1524 CONECT 1530 1524 CONECT 1531 1523 CONECT 1532 1523 CONECT 1533 1522 CONECT 1534 1522 CONECT 1535 1521 CONECT 1536 1521 CONECT 1537 1450 CONECT 1538 1449 CONECT 1539 1446 CONECT 1540 1446 CONECT 1541 1445 CONECT 1542 1422 CONECT 1543 1421 CONECT 1544 1418 1545 1546 1547 CONECT 1545 1544 CONECT 1546 1544 CONECT 1547 1544 CONECT 1548 1418 CONECT 1549 1417 CONECT 1550 1414 1551 1564 1565 CONECT 1551 1550 1552 1562 1563 CONECT 1552 1551 1553 1560 1561 CONECT 1553 1552 1554 1558 1559 CONECT 1554 1553 1555 1556 1557 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1554 CONECT 1558 1553 CONECT 1559 1553 CONECT 1560 1552 CONECT 1561 1552 CONECT 1562 1551 CONECT 1563 1551 CONECT 1564 1550 CONECT 1565 1550 CONECT 1566 1414 CONECT 1567 1413 CONECT 1568 1410 CONECT 1569 1410 CONECT 1570 1409 CONECT 1571 1409 CONECT 1572 1409 MASTER 0 0 0 0 0 0 0 0 1571 1 168 10 END
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11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
5nne
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 4
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.15(Å)
Affinity (Kd/Ki/IC50)
Kd=19.5uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Mol. Cell Vol. : pp. -
Ligand Properties
Formula
C
4
7
H
8
8
N
1
5
O
1
5
Molecular Weight
1103.290
Exact Mass
1102.660
No. of atoms
165
No. of bonds
164
Polar Surface Area
503.64
LOGP Value
-7.41 (
Computed with XLOGP3
)
-3.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCC(=O)N)[C@H](O)C)CCCCNC(=O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[NH3+])CCCC[NH3+])C)CCCCNC(=O)C
InChI String
InChI=1S/C47H85N15O15/c1-26(55-42(71)32(14-6-10-20-48)57-37(67)24-50)40(69)59-31(16-8-12-22-52-29(4)64)41(70)54-25-38(68)58-33(15-7-11-21-49)44(73)60-34(17-9-13-23-53-30(5)65)45(74)62-39(28(3)63)46(75)61-35(18-19-36(51)66)43(72)56-27(2)47(76)77/h26-28,31-35,39,63H,6-25,48-50H2,1-5H3,(H2,51,66)(H,52,64)(H,53,65)(H,54,70)(H,55,71)(H,56,72)(H,57,67)(H,58,68)(H,59,69)(H,60,73)(H,61,75)(H,62,74)(H,76,77)/p+3/t26-,27-,28+,31-,32-,33-,34-,35-,39-/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):
P11388
O60885
Entrez Gene ID
NCBI Entrez Gene ID:
7153
23476
ASD
Information of known allosteric effects of PDB entries
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