Browse entries in the PDBbind-CN Database
HEADER 4ODM_COMPLEX COMPND 4ODM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 149 MET LYS VAL GLY GLN ASP LYS VAL VAL THR ILE ARG TYR SEQRES 2 B 149 THR LEU GLN VAL GLU GLY GLU VAL LEU ASP GLN GLY GLU SEQRES 3 B 149 LEU SER TYR LEU HIS GLY HIS ARG ASN LEU ILE PRO GLY SEQRES 4 B 149 LEU GLU GLU ALA LEU GLU GLY ARG GLU GLU GLY GLU ALA SEQRES 5 B 149 PHE GLN ALA HIS VAL PRO ALA GLU LYS ALA TYR GLY PRO SEQRES 6 B 149 HIS ASP PRO GLU GLY VAL GLN VAL VAL PRO LEU SER ALA SEQRES 7 B 149 PHE PRO GLU ASP ALA GLU VAL VAL PRO GLY ALA GLN PHE SEQRES 8 B 149 TYR ALA GLN ASP MET GLU GLY ASN PRO MET PRO LEU THR SEQRES 9 B 149 VAL VAL ALA VAL GLU GLY GLU GLU VAL THR VAL ASP PHE SEQRES 10 B 149 ASN HIS PRO LEU ALA GLY LYS ASP LEU ASP PHE GLN VAL SEQRES 11 B 149 GLU VAL VAL LYS VAL ARG GLU ALA THR PRO GLU GLU LEU SEQRES 12 B 149 LEU HIS GLY HIS ALA HIS HET MET A 275 115 ATOM 1 N MET B 1 10.656 20.697 47.147 1.00 51.92 N ATOM 2 CA MET B 1 9.937 20.607 45.882 1.00 44.51 C ATOM 3 C MET B 1 9.763 19.145 45.491 1.00 39.88 C ATOM 4 O MET B 1 10.690 18.344 45.623 1.00 43.48 O ATOM 5 CB MET B 1 10.698 21.359 44.793 1.00 49.66 C ATOM 6 CG MET B 1 9.882 21.689 43.561 1.00 52.50 C ATOM 7 SD MET B 1 10.812 22.694 42.377 1.00 49.86 S ATOM 8 CE MET B 1 10.996 24.225 43.281 1.00 52.87 C ATOM 9 HN3 MET B 1 11.591 20.254 47.045 1.00 0.00 H ATOM 10 HN2 MET B 1 10.116 20.204 47.887 1.00 0.00 H ATOM 11 HN1 MET B 1 10.772 21.697 47.408 1.00 0.00 H ATOM 12 N LYS B 2 8.573 18.793 45.014 1.00 34.62 N ATOM 13 CA LYS B 2 8.300 17.418 44.599 1.00 29.32 C ATOM 14 C LYS B 2 8.540 17.204 43.107 1.00 32.64 C ATOM 15 O LYS B 2 8.343 18.115 42.294 1.00 30.40 O ATOM 16 CB LYS B 2 6.846 17.054 44.901 1.00 38.84 C ATOM 17 CG LYS B 2 6.561 16.651 46.327 1.00 52.70 C ATOM 18 CD LYS B 2 5.086 16.302 46.481 1.00 62.49 C ATOM 19 CE LYS B 2 4.797 15.679 47.838 1.00 69.00 C ATOM 20 NZ LYS B 2 5.200 16.573 48.959 1.00 68.02 N ATOM 21 HZ1 LYS B 2 6.221 16.764 48.899 1.00 0.00 H ATOM 22 HZ2 LYS B 2 4.674 17.468 48.893 1.00 0.00 H ATOM 23 HZ3 LYS B 2 4.985 16.109 49.865 1.00 0.00 H ATOM 24 H LYS B 2 7.823 19.509 44.935 1.00 0.00 H ATOM 25 N VAL B 3 8.924 15.981 42.748 1.00 29.05 N ATOM 26 CA VAL B 3 9.011 15.588 41.349 1.00 27.16 C ATOM 27 C VAL B 3 7.639 15.682 40.706 1.00 26.65 C ATOM 28 O VAL B 3 6.649 15.178 41.249 1.00 27.52 O ATOM 29 CB VAL B 3 9.506 14.144 41.210 1.00 22.88 C ATOM 30 CG1 VAL B 3 9.477 13.701 39.752 1.00 21.31 C ATOM 31 CG2 VAL B 3 10.918 14.018 41.766 1.00 29.17 C ATOM 32 H VAL B 3 9.168 15.289 43.485 1.00 0.00 H ATOM 33 N GLY B 4 7.574 16.332 39.550 1.00 23.95 N ATOM 34 CA GLY B 4 6.310 16.491 38.858 1.00 29.62 C ATOM 35 C GLY B 4 6.495 17.038 37.459 1.00 26.05 C ATOM 36 O GLY B 4 7.614 17.303 37.031 1.00 26.80 O ATOM 37 H GLY B 4 8.440 16.732 39.136 1.00 0.00 H ATOM 38 N GLN B 5 5.387 17.196 36.746 1.00 24.90 N ATOM 39 CA GLN B 5 5.411 17.714 35.385 1.00 27.12 C ATOM 40 C GLN B 5 6.265 18.976 35.289 1.00 30.38 C ATOM 41 O GLN B 5 6.146 19.873 36.125 1.00 27.58 O ATOM 42 CB GLN B 5 3.987 18.017 34.925 1.00 26.18 C ATOM 43 CG GLN B 5 3.879 18.374 33.453 1.00 27.93 C ATOM 44 CD GLN B 5 4.105 17.175 32.546 1.00 30.14 C ATOM 45 OE1 GLN B 5 3.808 16.037 32.915 1.00 28.82 O ATOM 46 NE2 GLN B 5 4.641 17.427 31.360 1.00 24.60 N ATOM 47 HE22 GLN B 5 4.875 18.404 31.092 1.00 0.00 H ATOM 48 HE21 GLN B 5 4.827 16.647 30.697 1.00 0.00 H ATOM 49 H GLN B 5 4.473 16.942 37.172 1.00 0.00 H ATOM 50 N ASP B 6 7.146 19.014 34.290 1.00 25.30 N ATOM 51 CA ASP B 6 7.974 20.185 34.004 1.00 26.35 C ATOM 52 C ASP B 6 9.005 20.501 35.079 1.00 27.71 C ATOM 53 O ASP B 6 9.540 21.596 35.104 1.00 26.56 O ATOM 54 CB ASP B 6 7.111 21.439 33.751 1.00 29.31 C ATOM 55 CG ASP B 6 6.305 21.352 32.467 1.00 39.15 C ATOM 56 OD1 ASP B 6 6.361 20.300 31.804 1.00 31.81 O ATOM 57 OD2 ASP B 6 5.609 22.343 32.126 1.00 37.30 O ATOM 58 H ASP B 6 7.249 18.173 33.687 1.00 0.00 H ATOM 59 N LYS B 7 9.291 19.558 35.968 1.00 24.00 N ATOM 60 CA LYS B 7 10.436 19.727 36.853 1.00 23.49 C ATOM 61 C LYS B 7 11.665 19.103 36.196 1.00 22.73 C ATOM 62 O LYS B 7 11.548 18.114 35.469 1.00 24.21 O ATOM 63 CB LYS B 7 10.188 19.064 38.213 1.00 23.42 C ATOM 64 CG LYS B 7 8.972 19.600 38.990 1.00 28.15 C ATOM 65 CD LYS B 7 9.206 21.012 39.492 1.00 32.83 C ATOM 66 CE LYS B 7 8.114 21.437 40.483 1.00 34.29 C ATOM 67 NZ LYS B 7 6.796 21.726 39.851 1.00 36.70 N ATOM 68 HZ1 LYS B 7 6.904 22.500 39.164 1.00 0.00 H ATOM 69 HZ2 LYS B 7 6.452 20.874 39.364 1.00 0.00 H ATOM 70 HZ3 LYS B 7 6.115 22.005 40.585 1.00 0.00 H ATOM 71 H LYS B 7 8.701 18.704 36.033 1.00 0.00 H ATOM 72 N VAL B 8 12.830 19.694 36.437 1.00 23.16 N ATOM 73 CA VAL B 8 14.093 19.048 36.109 1.00 22.78 C ATOM 74 C VAL B 8 14.581 18.367 37.378 1.00 24.95 C ATOM 75 O VAL B 8 14.726 18.999 38.427 1.00 28.84 O ATOM 76 CB VAL B 8 15.127 20.047 35.600 1.00 24.70 C ATOM 77 CG1 VAL B 8 16.480 19.386 35.455 1.00 26.72 C ATOM 78 CG2 VAL B 8 14.680 20.640 34.270 1.00 23.93 C ATOM 79 H VAL B 8 12.840 20.640 36.870 1.00 0.00 H ATOM 80 N VAL B 9 14.796 17.060 37.283 1.00 21.79 N ATOM 81 CA VAL B 9 15.045 16.240 38.450 1.00 22.51 C ATOM 82 C VAL B 9 16.416 15.632 38.278 1.00 22.11 C ATOM 83 O VAL B 9 16.733 15.124 37.198 1.00 21.52 O ATOM 84 CB VAL B 9 13.995 15.109 38.535 1.00 26.20 C ATOM 85 CG1 VAL B 9 14.212 14.251 39.763 1.00 26.55 C ATOM 86 CG2 VAL B 9 12.581 15.688 38.519 1.00 25.50 C ATOM 87 H VAL B 9 14.785 16.613 36.344 1.00 0.00 H ATOM 88 N THR B 10 17.233 15.688 39.324 1.00 23.98 N ATOM 89 CA THR B 10 18.527 15.025 39.297 1.00 24.56 C ATOM 90 C THR B 10 18.469 13.815 40.218 1.00 22.88 C ATOM 91 O THR B 10 18.030 13.917 41.368 1.00 27.70 O ATOM 92 CB THR B 10 19.657 15.974 39.746 1.00 26.04 C ATOM 93 OG1 THR B 10 19.695 17.114 38.880 1.00 28.88 O ATOM 94 CG2 THR B 10 21.026 15.266 39.703 1.00 23.71 C ATOM 95 HG1 THR B 10 19.863 16.816 37.951 1.00 0.00 H ATOM 96 H THR B 10 16.943 16.213 40.174 1.00 0.00 H ATOM 97 N ILE B 11 18.863 12.657 39.693 1.00 24.00 N ATOM 98 CA ILE B 11 18.883 11.440 40.486 1.00 26.13 C ATOM 99 C ILE B 11 20.253 10.777 40.477 1.00 26.96 C ATOM 100 O ILE B 11 21.017 10.912 39.527 1.00 27.83 O ATOM 101 CB ILE B 11 17.823 10.414 40.005 1.00 20.39 C ATOM 102 CG1 ILE B 11 18.058 10.043 38.539 1.00 18.82 C ATOM 103 CG2 ILE B 11 16.416 10.969 40.206 1.00 24.67 C ATOM 104 CD1 ILE B 11 17.179 8.865 38.049 1.00 20.37 C ATOM 105 H ILE B 11 19.162 12.623 38.697 1.00 0.00 H ATOM 106 N ARG B 12 20.555 10.073 41.563 1.00 24.27 N ATOM 107 CA ARG B 12 21.698 9.186 41.611 1.00 23.53 C ATOM 108 C ARG B 12 21.087 7.800 41.624 1.00 24.16 C ATOM 109 O ARG B 12 20.123 7.562 42.349 1.00 30.50 O ATOM 110 CB ARG B 12 22.516 9.430 42.881 1.00 31.29 C ATOM 111 CG ARG B 12 23.728 8.521 43.011 1.00 45.58 C ATOM 112 CD ARG B 12 24.611 8.926 44.192 1.00 52.69 C ATOM 113 NE ARG B 12 24.937 10.349 44.171 1.00 56.85 N ATOM 114 CZ ARG B 12 24.528 11.222 45.088 1.00 66.08 C ATOM 115 NH1 ARG B 12 23.782 10.813 46.106 1.00 68.95 N ATOM 116 NH2 ARG B 12 24.867 12.503 44.993 1.00 66.04 N ATOM 117 HE ARG B 12 25.526 10.703 43.390 1.00 0.00 H ATOM 118 HH12 ARG B 12 23.462 11.495 46.823 1.00 0.00 H ATOM 119 HH11 ARG B 12 23.517 9.811 46.187 1.00 0.00 H ATOM 120 HH22 ARG B 12 24.544 13.181 45.713 1.00 0.00 H ATOM 121 HH21 ARG B 12 25.455 12.828 44.199 1.00 0.00 H ATOM 122 H ARG B 12 19.951 10.162 42.405 1.00 0.00 H ATOM 123 N TYR B 13 21.621 6.893 40.812 1.00 22.10 N ATOM 124 CA TYR B 13 20.953 5.609 40.607 1.00 21.31 C ATOM 125 C TYR B 13 21.941 4.475 40.391 1.00 27.62 C ATOM 126 O TYR B 13 23.108 4.685 40.042 1.00 25.87 O ATOM 127 CB TYR B 13 19.996 5.683 39.406 1.00 21.01 C ATOM 128 CG TYR B 13 20.732 5.781 38.093 1.00 22.06 C ATOM 129 CD1 TYR B 13 21.199 7.002 37.632 1.00 29.27 C ATOM 130 CD2 TYR B 13 21.000 4.644 37.337 1.00 20.74 C ATOM 131 CE1 TYR B 13 21.904 7.098 36.454 1.00 25.05 C ATOM 132 CE2 TYR B 13 21.705 4.728 36.157 1.00 27.42 C ATOM 133 CZ TYR B 13 22.153 5.961 35.717 1.00 32.41 C ATOM 134 OH TYR B 13 22.855 6.054 34.537 1.00 34.09 O ATOM 135 HH TYR B 13 23.678 5.507 34.600 1.00 0.00 H ATOM 136 H TYR B 13 22.515 7.097 40.322 1.00 0.00 H ATOM 137 N THR B 14 21.453 3.269 40.631 1.00 23.62 N ATOM 138 CA THR B 14 22.151 2.064 40.243 1.00 21.43 C ATOM 139 C THR B 14 21.140 1.245 39.446 1.00 22.56 C ATOM 140 O THR B 14 20.004 1.081 39.886 1.00 24.63 O ATOM 141 CB THR B 14 22.636 1.281 41.483 1.00 25.36 C ATOM 142 OG1 THR B 14 23.442 2.137 42.308 1.00 27.59 O ATOM 143 CG2 THR B 14 23.466 0.085 41.074 1.00 20.76 C ATOM 144 HG1 THR B 14 22.904 2.915 42.599 1.00 0.00 H ATOM 145 H THR B 14 20.536 3.185 41.115 1.00 0.00 H ATOM 146 N LEU B 15 21.556 0.769 38.283 1.00 22.30 N ATOM 147 CA LEU B 15 20.719 -0.060 37.429 1.00 19.34 C ATOM 148 C LEU B 15 21.220 -1.500 37.502 1.00 24.07 C ATOM 149 O LEU B 15 22.353 -1.779 37.113 1.00 24.06 O ATOM 150 CB LEU B 15 20.780 0.458 35.984 1.00 19.68 C ATOM 151 CG LEU B 15 19.825 -0.067 34.904 1.00 23.66 C ATOM 152 CD1 LEU B 15 19.701 0.959 33.785 1.00 19.80 C ATOM 153 CD2 LEU B 15 20.284 -1.395 34.331 1.00 24.79 C ATOM 154 H LEU B 15 22.520 0.997 37.967 1.00 0.00 H ATOM 155 N GLN B 16 20.365 -2.397 37.986 1.00 20.86 N ATOM 156 CA GLN B 16 20.682 -3.817 38.081 1.00 22.49 C ATOM 157 C GLN B 16 19.813 -4.609 37.101 1.00 28.73 C ATOM 158 O GLN B 16 18.611 -4.362 37.001 1.00 23.38 O ATOM 159 CB GLN B 16 20.425 -4.284 39.514 1.00 27.75 C ATOM 160 CG GLN B 16 20.916 -5.667 39.868 1.00 33.32 C ATOM 161 CD GLN B 16 20.833 -5.928 41.364 1.00 24.79 C ATOM 162 OE1 GLN B 16 20.955 -5.010 42.171 1.00 37.18 O ATOM 163 NE2 GLN B 16 20.610 -7.170 41.734 1.00 34.24 N ATOM 164 HE22 GLN B 16 20.513 -7.917 41.017 1.00 0.00 H ATOM 165 HE21 GLN B 16 20.530 -7.405 42.744 1.00 0.00 H ATOM 166 H GLN B 16 19.432 -2.072 38.310 1.00 0.00 H ATOM 167 N VAL B 17 20.423 -5.548 36.387 1.00 20.04 N ATOM 168 CA VAL B 17 19.668 -6.465 35.546 1.00 23.29 C ATOM 169 C VAL B 17 20.070 -7.859 35.946 1.00 25.24 C ATOM 170 O VAL B 17 21.251 -8.204 35.870 1.00 24.34 O ATOM 171 CB VAL B 17 19.952 -6.288 34.052 1.00 24.76 C ATOM 172 CG1 VAL B 17 19.319 -7.435 33.257 1.00 28.26 C ATOM 173 CG2 VAL B 17 19.412 -4.961 33.569 1.00 26.32 C ATOM 174 H VAL B 17 21.459 -5.630 36.430 1.00 0.00 H ATOM 175 N GLU B 18 19.096 -8.642 36.399 1.00 25.74 N ATOM 176 CA GLU B 18 19.343 -10.031 36.774 1.00 32.74 C ATOM 177 C GLU B 18 20.511 -10.167 37.766 1.00 38.43 C ATOM 178 O GLU B 18 21.412 -10.984 37.587 1.00 34.64 O ATOM 179 CB GLU B 18 19.542 -10.880 35.514 1.00 38.43 C ATOM 180 CG GLU B 18 18.292 -10.878 34.612 1.00 43.48 C ATOM 181 CD GLU B 18 18.586 -11.065 33.123 1.00 51.77 C ATOM 182 OE1 GLU B 18 19.665 -11.579 32.775 1.00 58.75 O ATOM 183 OE2 GLU B 18 17.727 -10.695 32.293 1.00 48.01 O ATOM 184 H GLU B 18 18.135 -8.256 36.488 1.00 0.00 H ATOM 185 N GLY B 19 20.490 -9.340 38.806 1.00 29.26 N ATOM 186 CA GLY B 19 21.466 -9.444 39.882 1.00 31.78 C ATOM 187 C GLY B 19 22.853 -8.890 39.596 1.00 34.09 C ATOM 188 O GLY B 19 23.797 -9.127 40.358 1.00 35.96 O ATOM 189 H GLY B 19 19.760 -8.601 38.853 1.00 0.00 H ATOM 190 N GLU B 20 22.984 -8.147 38.505 1.00 29.30 N ATOM 191 CA GLU B 20 24.269 -7.553 38.143 1.00 29.86 C ATOM 192 C GLU B 20 24.084 -6.059 37.880 1.00 22.35 C ATOM 193 O GLU B 20 23.178 -5.665 37.158 1.00 24.02 O ATOM 194 CB GLU B 20 24.804 -8.246 36.891 1.00 38.30 C ATOM 195 CG GLU B 20 26.196 -7.833 36.449 1.00 61.42 C ATOM 196 CD GLU B 20 26.622 -8.541 35.171 1.00 76.89 C ATOM 197 OE1 GLU B 20 25.873 -9.428 34.706 1.00 81.75 O ATOM 198 OE2 GLU B 20 27.697 -8.210 34.628 1.00 81.73 O ATOM 199 H GLU B 20 22.157 -7.984 37.896 1.00 0.00 H ATOM 200 N VAL B 21 24.940 -5.223 38.452 1.00 22.34 N ATOM 201 CA VAL B 21 24.855 -3.792 38.166 1.00 20.04 C ATOM 202 C VAL B 21 25.431 -3.522 36.794 1.00 23.33 C ATOM 203 O VAL B 21 26.593 -3.863 36.532 1.00 26.64 O ATOM 204 CB VAL B 21 25.642 -2.978 39.203 1.00 22.14 C ATOM 205 CG1 VAL B 21 25.809 -1.535 38.749 1.00 23.01 C ATOM 206 CG2 VAL B 21 24.951 -3.040 40.535 1.00 24.91 C ATOM 207 H VAL B 21 25.668 -5.584 39.101 1.00 0.00 H ATOM 208 N LEU B 22 24.618 -2.928 35.920 1.00 21.04 N ATOM 209 CA LEU B 22 25.015 -2.640 34.549 1.00 22.67 C ATOM 210 C LEU B 22 25.412 -1.190 34.363 1.00 33.21 C ATOM 211 O LEU B 22 26.182 -0.872 33.466 1.00 34.03 O ATOM 212 CB LEU B 22 23.891 -2.976 33.572 1.00 24.96 C ATOM 213 CG LEU B 22 23.546 -4.449 33.416 1.00 35.13 C ATOM 214 CD1 LEU B 22 22.663 -4.655 32.189 1.00 40.60 C ATOM 215 CD2 LEU B 22 24.812 -5.278 33.309 1.00 34.23 C ATOM 216 H LEU B 22 23.662 -2.660 36.230 1.00 0.00 H ATOM 217 N ASP B 23 24.885 -0.315 35.210 1.00 24.82 N ATOM 218 CA ASP B 23 25.170 1.106 35.091 1.00 28.64 C ATOM 219 C ASP B 23 24.919 1.801 36.421 1.00 29.00 C ATOM 220 O ASP B 23 24.063 1.391 37.208 1.00 24.29 O ATOM 221 CB ASP B 23 24.319 1.726 33.977 1.00 30.13 C ATOM 222 CG ASP B 23 24.589 3.209 33.783 1.00 47.14 C ATOM 223 OD1 ASP B 23 25.767 3.623 33.850 1.00 47.56 O ATOM 224 OD2 ASP B 23 23.614 3.959 33.564 1.00 50.71 O ATOM 225 H ASP B 23 24.259 -0.650 35.970 1.00 0.00 H ATOM 226 N GLN B 24 25.684 2.854 36.673 1.00 23.83 N ATOM 227 CA GLN B 24 25.651 3.526 37.944 1.00 25.00 C ATOM 228 C GLN B 24 26.072 4.951 37.687 1.00 28.51 C ATOM 229 O GLN B 24 26.988 5.191 36.907 1.00 32.82 O ATOM 230 CB GLN B 24 26.664 2.856 38.871 1.00 35.55 C ATOM 231 CG GLN B 24 26.540 3.218 40.311 1.00 48.36 C ATOM 232 CD GLN B 24 27.229 2.210 41.220 1.00 51.50 C ATOM 233 OE1 GLN B 24 27.935 1.305 40.758 1.00 30.70 O ATOM 234 NE2 GLN B 24 27.013 2.357 42.520 1.00 56.23 N ATOM 235 HE22 GLN B 24 26.412 3.133 42.863 1.00 0.00 H ATOM 236 HE21 GLN B 24 27.445 1.696 43.197 1.00 0.00 H ATOM 237 H GLN B 24 26.325 3.203 35.932 1.00 0.00 H ATOM 238 N GLY B 25 25.405 5.900 38.328 1.00 24.73 N ATOM 239 CA GLY B 25 25.828 7.285 38.214 1.00 32.02 C ATOM 240 C GLY B 25 24.739 8.284 38.517 1.00 32.57 C ATOM 241 O GLY B 25 23.840 8.012 39.308 1.00 26.81 O ATOM 242 H GLY B 25 24.580 5.654 38.912 1.00 0.00 H ATOM 243 N GLU B 26 24.835 9.452 37.889 1.00 28.36 N ATOM 244 CA GLU B 26 23.897 10.536 38.129 1.00 28.25 C ATOM 245 C GLU B 26 23.365 11.006 36.789 1.00 31.88 C ATOM 246 O GLU B 26 24.093 11.018 35.802 1.00 34.39 O ATOM 247 CB GLU B 26 24.598 11.694 38.836 1.00 37.20 C ATOM 248 CG GLU B 26 23.784 12.354 39.926 1.00 52.53 C ATOM 249 CD GLU B 26 24.516 13.518 40.572 1.00 58.34 C ATOM 250 OE1 GLU B 26 24.680 13.502 41.807 1.00 51.43 O ATOM 251 OE2 GLU B 26 24.922 14.444 39.840 1.00 62.77 O ATOM 252 H GLU B 26 25.605 9.594 37.205 1.00 0.00 H ATOM 253 N LEU B 27 22.089 11.376 36.748 1.00 26.28 N ATOM 254 CA LEU B 27 21.541 12.003 35.556 1.00 24.07 C ATOM 255 C LEU B 27 20.524 13.063 35.945 1.00 25.62 C ATOM 256 O LEU B 27 20.020 13.078 37.072 1.00 23.42 O ATOM 257 CB LEU B 27 20.911 10.974 34.601 1.00 25.89 C ATOM 258 CG LEU B 27 19.672 10.177 35.012 1.00 24.01 C ATOM 259 CD1 LEU B 27 18.366 10.963 34.871 1.00 24.26 C ATOM 260 CD2 LEU B 27 19.588 8.910 34.176 1.00 28.07 C ATOM 261 H LEU B 27 21.478 11.216 37.574 1.00 0.00 H ATOM 262 N SER B 28 20.230 13.952 35.003 1.00 25.49 N ATOM 263 CA SER B 28 19.157 14.918 35.196 1.00 22.94 C ATOM 264 C SER B 28 18.233 14.777 34.001 1.00 21.59 C ATOM 265 O SER B 28 18.684 14.445 32.907 1.00 27.96 O ATOM 266 CB SER B 28 19.703 16.344 35.282 1.00 30.56 C ATOM 267 OG SER B 28 20.493 16.513 36.450 1.00 32.50 O ATOM 268 HG SER B 28 19.939 16.334 37.251 1.00 0.00 H ATOM 269 H SER B 28 20.773 13.958 34.116 1.00 0.00 H ATOM 270 N TYR B 29 16.940 15.009 34.205 1.00 21.65 N ATOM 271 CA TYR B 29 15.984 14.847 33.111 1.00 19.80 C ATOM 272 C TYR B 29 14.816 15.795 33.344 1.00 21.12 C ATOM 273 O TYR B 29 14.558 16.201 34.477 1.00 20.85 O ATOM 274 CB TYR B 29 15.494 13.378 33.007 1.00 20.43 C ATOM 275 CG TYR B 29 14.529 12.999 34.096 1.00 20.41 C ATOM 276 CD1 TYR B 29 14.987 12.685 35.376 1.00 20.68 C ATOM 277 CD2 TYR B 29 13.153 12.966 33.857 1.00 19.96 C ATOM 278 CE1 TYR B 29 14.114 12.365 36.385 1.00 22.53 C ATOM 279 CE2 TYR B 29 12.272 12.647 34.856 1.00 18.67 C ATOM 280 CZ TYR B 29 12.759 12.351 36.126 1.00 21.11 C ATOM 281 OH TYR B 29 11.887 12.044 37.131 1.00 24.26 O ATOM 282 HH TYR B 29 11.273 12.807 37.278 1.00 0.00 H ATOM 283 H TYR B 29 16.608 15.306 35.145 1.00 0.00 H ATOM 284 N LEU B 30 14.121 16.138 32.269 1.00 22.98 N ATOM 285 CA LEU B 30 12.911 16.948 32.362 1.00 25.31 C ATOM 286 C LEU B 30 11.737 15.996 32.516 1.00 23.75 C ATOM 287 O LEU B 30 11.482 15.171 31.630 1.00 21.10 O ATOM 288 CB LEU B 30 12.745 17.779 31.091 1.00 22.45 C ATOM 289 CG LEU B 30 11.451 18.581 30.954 1.00 24.11 C ATOM 290 CD1 LEU B 30 11.294 19.567 32.098 1.00 28.68 C ATOM 291 CD2 LEU B 30 11.455 19.310 29.613 1.00 25.65 C ATOM 292 H LEU B 30 14.447 15.821 31.334 1.00 0.00 H ATOM 293 N HIS B 31 11.029 16.097 33.638 1.00 21.23 N ATOM 294 CA HIS B 31 9.964 15.140 33.976 1.00 24.27 C ATOM 295 C HIS B 31 8.656 15.415 33.210 1.00 27.34 C ATOM 296 O HIS B 31 8.235 16.564 33.091 1.00 21.54 O ATOM 297 CB HIS B 31 9.731 15.177 35.495 1.00 22.78 C ATOM 298 CG HIS B 31 8.838 14.092 36.013 1.00 23.16 C ATOM 299 ND1 HIS B 31 9.324 12.909 36.539 1.00 22.01 N ATOM 300 CD2 HIS B 31 7.491 14.031 36.128 1.00 24.77 C ATOM 301 CE1 HIS B 31 8.310 12.161 36.934 1.00 24.90 C ATOM 302 NE2 HIS B 31 7.187 12.817 36.696 1.00 24.87 N ATOM 303 H HIS B 31 11.235 16.876 34.296 1.00 0.00 H ATOM 304 N GLY B 32 8.035 14.360 32.676 1.00 20.35 N ATOM 305 CA GLY B 32 6.752 14.485 32.000 1.00 23.15 C ATOM 306 C GLY B 32 6.862 14.774 30.517 1.00 23.76 C ATOM 307 O GLY B 32 5.892 15.199 29.891 1.00 24.47 O ATOM 308 H GLY B 32 8.481 13.423 32.745 1.00 0.00 H ATOM 309 N HIS B 33 8.047 14.549 29.950 1.00 23.14 N ATOM 310 CA HIS B 33 8.288 14.825 28.527 1.00 21.09 C ATOM 311 C HIS B 33 8.864 13.618 27.784 1.00 24.07 C ATOM 312 O HIS B 33 9.530 13.776 26.752 1.00 24.23 O ATOM 313 CB HIS B 33 9.233 16.025 28.370 1.00 22.48 C ATOM 314 CG HIS B 33 8.615 17.330 28.763 1.00 30.84 C ATOM 315 ND1 HIS B 33 8.373 18.340 27.859 1.00 25.67 N ATOM 316 CD2 HIS B 33 8.186 17.787 29.964 1.00 22.72 C ATOM 317 CE1 HIS B 33 7.821 19.367 28.483 1.00 27.58 C ATOM 318 NE2 HIS B 33 7.688 19.054 29.759 1.00 23.89 N ATOM 319 H HIS B 33 8.822 14.168 30.530 1.00 0.00 H ATOM 320 N ARG B 34 8.596 12.425 28.316 1.00 22.91 N ATOM 321 CA ARG B 34 9.114 11.169 27.776 1.00 22.27 C ATOM 322 C ARG B 34 10.636 11.158 27.631 1.00 23.30 C ATOM 323 O ARG B 34 11.164 10.631 26.655 1.00 25.37 O ATOM 324 CB ARG B 34 8.450 10.841 26.435 1.00 23.86 C ATOM 325 CG ARG B 34 6.923 10.831 26.483 1.00 23.34 C ATOM 326 CD ARG B 34 6.326 10.102 25.292 1.00 24.21 C ATOM 327 NE ARG B 34 6.727 10.688 24.017 1.00 21.34 N ATOM 328 CZ ARG B 34 6.456 10.165 22.827 1.00 27.35 C ATOM 329 NH1 ARG B 34 5.769 9.024 22.729 1.00 25.51 N ATOM 330 NH2 ARG B 34 6.878 10.782 21.732 1.00 25.34 N ATOM 331 HE ARG B 34 7.263 11.579 24.042 1.00 0.00 H ATOM 332 HH12 ARG B 34 5.561 8.621 21.793 1.00 0.00 H ATOM 333 HH11 ARG B 34 5.442 8.538 23.589 1.00 0.00 H ATOM 334 HH22 ARG B 34 6.670 10.380 20.796 1.00 0.00 H ATOM 335 HH21 ARG B 34 7.417 11.668 21.809 1.00 0.00 H ATOM 336 H ARG B 34 7.987 12.386 29.158 1.00 0.00 H ATOM 337 N ASN B 35 11.336 11.745 28.595 1.00 19.70 N ATOM 338 CA ASN B 35 12.799 11.765 28.557 1.00 20.16 C ATOM 339 C ASN B 35 13.430 10.600 29.316 1.00 26.06 C ATOM 340 O ASN B 35 14.618 10.323 29.160 1.00 27.07 O ATOM 341 CB ASN B 35 13.338 13.082 29.106 1.00 26.38 C ATOM 342 CG ASN B 35 13.066 14.242 28.178 1.00 31.39 C ATOM 343 OD1 ASN B 35 13.236 14.129 26.963 1.00 39.05 O ATOM 344 ND2 ASN B 35 12.628 15.358 28.737 1.00 36.34 N ATOM 345 HD22 ASN B 35 12.499 15.408 29.768 1.00 0.00 H ATOM 346 HD21 ASN B 35 12.412 16.186 28.146 1.00 0.00 H ATOM 347 H ASN B 35 10.838 12.197 29.388 1.00 0.00 H ATOM 348 N LEU B 36 12.630 9.921 30.126 1.00 21.38 N ATOM 349 CA LEU B 36 13.124 8.850 30.994 1.00 18.15 C ATOM 350 C LEU B 36 12.203 7.654 30.806 1.00 18.54 C ATOM 351 O LEU B 36 11.015 7.833 30.533 1.00 23.27 O ATOM 352 CB LEU B 36 13.089 9.318 32.447 1.00 23.17 C ATOM 353 CG LEU B 36 13.800 8.500 33.518 1.00 21.11 C ATOM 354 CD1 LEU B 36 15.314 8.687 33.376 1.00 21.88 C ATOM 355 CD2 LEU B 36 13.327 8.922 34.902 1.00 21.47 C ATOM 356 H LEU B 36 11.617 10.157 30.146 1.00 0.00 H ATOM 357 N ILE B 37 12.730 6.436 30.946 1.00 19.08 N ATOM 358 CA ILE B 37 11.885 5.261 30.755 1.00 20.39 C ATOM 359 C ILE B 37 10.672 5.350 31.676 1.00 20.98 C ATOM 360 O ILE B 37 10.783 5.782 32.824 1.00 19.59 O ATOM 361 CB ILE B 37 12.653 3.941 30.968 1.00 21.08 C ATOM 362 CG1 ILE B 37 13.301 3.906 32.349 1.00 21.24 C ATOM 363 CG2 ILE B 37 13.685 3.746 29.864 1.00 25.06 C ATOM 364 CD1 ILE B 37 13.944 2.563 32.659 1.00 22.11 C ATOM 365 H ILE B 37 13.735 6.325 31.189 1.00 0.00 H ATOM 366 N PRO B 38 9.499 4.959 31.166 1.00 22.22 N ATOM 367 CA PRO B 38 8.270 5.360 31.866 1.00 22.19 C ATOM 368 C PRO B 38 8.104 4.766 33.258 1.00 21.53 C ATOM 369 O PRO B 38 7.576 5.458 34.124 1.00 23.67 O ATOM 370 CB PRO B 38 7.143 4.917 30.920 1.00 28.08 C ATOM 371 CG PRO B 38 7.771 4.016 29.929 1.00 24.41 C ATOM 372 CD PRO B 38 9.228 4.348 29.855 1.00 21.99 C ATOM 373 N GLY B 39 8.554 3.530 33.477 1.00 22.42 N ATOM 374 CA GLY B 39 8.452 2.910 34.786 1.00 21.40 C ATOM 375 C GLY B 39 9.222 3.652 35.866 1.00 23.70 C ATOM 376 O GLY B 39 8.784 3.755 37.017 1.00 22.35 O ATOM 377 H GLY B 39 8.987 2.999 32.694 1.00 0.00 H ATOM 378 N LEU B 40 10.383 4.171 35.495 1.00 24.51 N ATOM 379 CA LEU B 40 11.218 4.880 36.449 1.00 19.91 C ATOM 380 C LEU B 40 10.608 6.255 36.711 1.00 23.43 C ATOM 381 O LEU B 40 10.563 6.726 37.849 1.00 21.67 O ATOM 382 CB LEU B 40 12.641 5.000 35.903 1.00 22.06 C ATOM 383 CG LEU B 40 13.697 5.600 36.833 1.00 27.18 C ATOM 384 CD1 LEU B 40 13.782 4.832 38.153 1.00 32.45 C ATOM 385 CD2 LEU B 40 15.041 5.620 36.115 1.00 24.27 C ATOM 386 H LEU B 40 10.700 4.070 34.510 1.00 0.00 H ATOM 387 N GLU B 41 10.110 6.883 35.653 1.00 18.68 N ATOM 388 CA GLU B 41 9.460 8.172 35.796 1.00 21.88 C ATOM 389 C GLU B 41 8.234 8.053 36.711 1.00 20.94 C ATOM 390 O GLU B 41 7.981 8.928 37.545 1.00 26.16 O ATOM 391 CB GLU B 41 9.057 8.713 34.421 1.00 27.43 C ATOM 392 CG GLU B 41 8.747 10.178 34.444 1.00 29.71 C ATOM 393 CD GLU B 41 8.501 10.760 33.071 1.00 25.40 C ATOM 394 OE1 GLU B 41 7.729 10.152 32.297 1.00 27.12 O ATOM 395 OE2 GLU B 41 9.085 11.821 32.777 1.00 25.09 O ATOM 396 H GLU B 41 10.187 6.447 34.712 1.00 0.00 H ATOM 397 N GLU B 42 7.479 6.969 36.551 1.00 23.12 N ATOM 398 CA GLU B 42 6.320 6.726 37.407 1.00 22.99 C ATOM 399 C GLU B 42 6.736 6.543 38.862 1.00 27.29 C ATOM 400 O GLU B 42 6.071 7.042 39.762 1.00 29.17 O ATOM 401 CB GLU B 42 5.537 5.487 36.944 1.00 28.12 C ATOM 402 CG GLU B 42 4.861 5.632 35.598 1.00 45.86 C ATOM 403 CD GLU B 42 4.339 4.302 35.073 1.00 52.56 C ATOM 404 OE1 GLU B 42 4.202 3.354 35.882 1.00 53.27 O ATOM 405 OE2 GLU B 42 4.074 4.208 33.854 1.00 54.57 O ATOM 406 H GLU B 42 7.717 6.284 35.805 1.00 0.00 H ATOM 407 N ALA B 43 7.842 5.834 39.089 1.00 23.57 N ATOM 408 CA ALA B 43 8.316 5.612 40.448 1.00 23.65 C ATOM 409 C ALA B 43 8.763 6.921 41.099 1.00 25.91 C ATOM 410 O ALA B 43 8.686 7.072 42.321 1.00 28.08 O ATOM 411 CB ALA B 43 9.443 4.587 40.474 1.00 27.80 C ATOM 412 H ALA B 43 8.372 5.435 38.288 1.00 0.00 H ATOM 413 N LEU B 44 9.210 7.860 40.268 1.00 22.03 N ATOM 414 CA LEU B 44 9.714 9.148 40.740 1.00 26.86 C ATOM 415 C LEU B 44 8.628 10.195 41.001 1.00 27.38 C ATOM 416 O LEU B 44 8.851 11.135 41.768 1.00 24.20 O ATOM 417 CB LEU B 44 10.742 9.699 39.749 1.00 23.92 C ATOM 418 CG LEU B 44 12.134 9.093 39.921 1.00 23.46 C ATOM 419 CD1 LEU B 44 12.951 9.188 38.646 1.00 21.79 C ATOM 420 CD2 LEU B 44 12.830 9.808 41.080 1.00 24.97 C ATOM 421 H LEU B 44 9.200 7.670 39.246 1.00 0.00 H ATOM 422 N GLU B 45 7.470 10.040 40.363 1.00 26.42 N ATOM 423 CA GLU B 45 6.365 10.996 40.505 1.00 27.55 C ATOM 424 C GLU B 45 6.006 11.260 41.968 1.00 29.64 C ATOM 425 O GLU B 45 5.706 10.334 42.715 1.00 33.87 O ATOM 426 CB GLU B 45 5.123 10.501 39.748 1.00 28.28 C ATOM 427 CG GLU B 45 3.933 11.471 39.776 1.00 31.78 C ATOM 428 CD GLU B 45 4.076 12.617 38.778 1.00 38.15 C ATOM 429 OE1 GLU B 45 4.712 12.416 37.720 1.00 36.09 O ATOM 430 OE2 GLU B 45 3.552 13.719 39.052 1.00 45.64 O ATOM 431 H GLU B 45 7.344 9.214 39.743 1.00 0.00 H ATOM 432 N GLY B 46 6.048 12.528 42.370 1.00 30.75 N ATOM 433 CA GLY B 46 5.638 12.928 43.707 1.00 35.54 C ATOM 434 C GLY B 46 6.708 12.828 44.781 1.00 37.28 C ATOM 435 O GLY B 46 6.478 13.212 45.927 1.00 39.02 O ATOM 436 H GLY B 46 6.384 13.256 41.707 1.00 0.00 H ATOM 437 N ARG B 47 7.881 12.317 44.424 1.00 30.44 N ATOM 438 CA ARG B 47 8.951 12.156 45.404 1.00 30.37 C ATOM 439 C ARG B 47 9.583 13.493 45.790 1.00 34.53 C ATOM 440 O ARG B 47 9.635 14.419 44.993 1.00 33.63 O ATOM 441 CB ARG B 47 10.021 11.212 44.872 1.00 26.81 C ATOM 442 CG ARG B 47 9.492 9.848 44.467 1.00 40.12 C ATOM 443 CD ARG B 47 9.820 8.802 45.493 1.00 40.48 C ATOM 444 NE ARG B 47 9.376 7.483 45.068 1.00 39.79 N ATOM 445 CZ ARG B 47 9.299 6.435 45.877 1.00 44.60 C ATOM 446 NH1 ARG B 47 9.630 6.560 47.151 1.00 41.66 N ATOM 447 NH2 ARG B 47 8.886 5.265 45.413 1.00 45.49 N ATOM 448 HE ARG B 47 9.103 7.355 44.073 1.00 0.00 H ATOM 449 HH12 ARG B 47 9.570 5.739 47.787 1.00 0.00 H ATOM 450 HH11 ARG B 47 9.950 7.479 47.517 1.00 0.00 H ATOM 451 HH22 ARG B 47 8.827 4.445 46.050 1.00 0.00 H ATOM 452 HH21 ARG B 47 8.621 5.167 44.412 1.00 0.00 H ATOM 453 H ARG B 47 8.039 12.029 43.437 1.00 0.00 H ATOM 454 N GLU B 48 10.063 13.588 47.025 1.00 35.68 N ATOM 455 CA GLU B 48 10.719 14.806 47.488 1.00 36.04 C ATOM 456 C GLU B 48 12.218 14.692 47.284 1.00 33.99 C ATOM 457 O GLU B 48 12.755 13.585 47.245 1.00 33.71 O ATOM 458 CB GLU B 48 10.432 15.030 48.975 1.00 46.22 C ATOM 459 CG GLU B 48 8.997 15.395 49.291 1.00 58.84 C ATOM 460 CD GLU B 48 8.757 16.889 49.240 1.00 62.62 C ATOM 461 OE1 GLU B 48 9.717 17.637 48.964 1.00 62.97 O ATOM 462 OE2 GLU B 48 7.610 17.311 49.479 1.00 63.06 O ATOM 463 H GLU B 48 9.970 12.780 47.673 1.00 0.00 H ATOM 464 N GLU B 49 12.893 15.832 47.161 1.00 32.71 N ATOM 465 CA GLU B 49 14.353 15.858 47.217 1.00 38.07 C ATOM 466 C GLU B 49 14.845 15.095 48.438 1.00 39.72 C ATOM 467 O GLU B 49 14.264 15.202 49.519 1.00 44.17 O ATOM 468 CB GLU B 49 14.868 17.293 47.320 1.00 45.80 C ATOM 469 CG GLU B 49 15.062 18.007 46.004 1.00 50.59 C ATOM 470 CD GLU B 49 15.914 19.254 46.157 1.00 49.20 C ATOM 471 OE1 GLU B 49 16.534 19.428 47.228 1.00 55.80 O ATOM 472 OE2 GLU B 49 15.975 20.058 45.211 1.00 41.33 O ATOM 473 H GLU B 49 12.372 16.721 47.022 1.00 0.00 H ATOM 474 N GLY B 50 15.915 14.331 48.263 1.00 39.99 N ATOM 475 CA GLY B 50 16.512 13.600 49.365 1.00 44.70 C ATOM 476 C GLY B 50 15.934 12.214 49.552 1.00 46.13 C ATOM 477 O GLY B 50 16.494 11.392 50.275 1.00 47.12 O ATOM 478 H GLY B 50 16.335 14.254 47.315 1.00 0.00 H ATOM 479 N GLU B 51 14.811 11.944 48.903 1.00 41.18 N ATOM 480 CA GLU B 51 14.166 10.652 49.063 1.00 42.38 C ATOM 481 C GLU B 51 14.969 9.552 48.360 1.00 38.25 C ATOM 482 O GLU B 51 15.489 9.759 47.264 1.00 32.12 O ATOM 483 CB GLU B 51 12.724 10.701 48.541 1.00 43.30 C ATOM 484 CG GLU B 51 11.880 9.506 48.954 1.00 47.13 C ATOM 485 CD GLU B 51 10.390 9.733 48.756 1.00 51.62 C ATOM 486 OE1 GLU B 51 9.952 10.904 48.698 1.00 49.15 O ATOM 487 OE2 GLU B 51 9.657 8.729 48.660 1.00 49.83 O ATOM 488 H GLU B 51 14.390 12.659 48.277 1.00 0.00 H ATOM 489 N ALA B 52 15.081 8.392 49.000 1.00 29.79 N ATOM 490 CA ALA B 52 15.741 7.248 48.378 1.00 33.78 C ATOM 491 C ALA B 52 14.797 6.052 48.341 1.00 36.47 C ATOM 492 O ALA B 52 13.988 5.863 49.253 1.00 39.27 O ATOM 493 CB ALA B 52 17.013 6.900 49.113 1.00 35.79 C ATOM 494 H ALA B 52 14.692 8.298 49.960 1.00 0.00 H ATOM 495 N PHE B 53 14.903 5.245 47.290 1.00 33.32 N ATOM 496 CA PHE B 53 13.970 4.145 47.104 1.00 33.70 C ATOM 497 C PHE B 53 14.459 3.102 46.104 1.00 30.25 C ATOM 498 O PHE B 53 15.444 3.312 45.386 1.00 28.99 O ATOM 499 CB PHE B 53 12.597 4.691 46.680 1.00 34.08 C ATOM 500 CG PHE B 53 12.604 5.387 45.345 1.00 30.30 C ATOM 501 CD1 PHE B 53 12.916 6.736 45.249 1.00 32.96 C ATOM 502 CD2 PHE B 53 12.280 4.697 44.188 1.00 30.63 C ATOM 503 CE1 PHE B 53 12.914 7.381 44.019 1.00 28.20 C ATOM 504 CE2 PHE B 53 12.282 5.335 42.952 1.00 33.75 C ATOM 505 CZ PHE B 53 12.595 6.677 42.869 1.00 27.09 C ATOM 506 H PHE B 53 15.660 5.402 46.594 1.00 0.00 H ATOM 507 N GLN B 54 13.769 1.967 46.074 1.00 27.66 N ATOM 508 CA GLN B 54 14.037 0.932 45.089 1.00 28.70 C ATOM 509 C GLN B 54 12.836 0.827 44.159 1.00 33.93 C ATOM 510 O GLN B 54 11.695 1.044 44.578 1.00 34.14 O ATOM 511 CB GLN B 54 14.302 -0.415 45.758 1.00 34.08 C ATOM 512 CG GLN B 54 15.382 -0.369 46.827 1.00 48.98 C ATOM 513 CD GLN B 54 15.926 -1.741 47.165 1.00 64.16 C ATOM 514 OE1 GLN B 54 15.929 -2.643 46.325 1.00 68.24 O ATOM 515 NE2 GLN B 54 16.389 -1.908 48.401 1.00 67.23 N ATOM 516 HE22 GLN B 54 16.366 -1.117 49.076 1.00 0.00 H ATOM 517 HE21 GLN B 54 16.774 -2.829 48.692 1.00 0.00 H ATOM 518 H GLN B 54 13.016 1.815 46.775 1.00 0.00 H ATOM 519 N ALA B 55 13.096 0.505 42.898 1.00 28.44 N ATOM 520 CA ALA B 55 12.028 0.404 41.913 1.00 30.07 C ATOM 521 C ALA B 55 12.307 -0.733 40.959 1.00 28.37 C ATOM 522 O ALA B 55 13.364 -0.779 40.315 1.00 26.20 O ATOM 523 CB ALA B 55 11.888 1.705 41.153 1.00 29.04 C ATOM 524 H ALA B 55 14.078 0.322 42.609 1.00 0.00 H ATOM 525 N HIS B 56 11.362 -1.663 40.880 1.00 24.46 N ATOM 526 CA HIS B 56 11.441 -2.728 39.905 1.00 21.34 C ATOM 527 C HIS B 56 10.668 -2.292 38.667 1.00 27.78 C ATOM 528 O HIS B 56 9.510 -1.888 38.775 1.00 27.40 O ATOM 529 CB HIS B 56 10.845 -4.017 40.458 1.00 29.83 C ATOM 530 CG HIS B 56 10.840 -5.131 39.465 1.00 30.17 C ATOM 531 ND1 HIS B 56 11.987 -5.799 39.097 1.00 32.64 N ATOM 532 CD2 HIS B 56 9.839 -5.662 38.723 1.00 38.18 C ATOM 533 CE1 HIS B 56 11.690 -6.711 38.187 1.00 38.64 C ATOM 534 NE2 HIS B 56 10.394 -6.646 37.939 1.00 35.47 N ATOM 535 H HIS B 56 10.551 -1.625 41.530 1.00 0.00 H ATOM 536 N VAL B 57 11.310 -2.352 37.502 1.00 23.81 N ATOM 537 CA VAL B 57 10.682 -1.892 36.262 1.00 20.54 C ATOM 538 C VAL B 57 10.664 -3.005 35.220 1.00 22.57 C ATOM 539 O VAL B 57 11.697 -3.346 34.661 1.00 22.78 O ATOM 540 CB VAL B 57 11.412 -0.658 35.684 1.00 19.90 C ATOM 541 CG1 VAL B 57 10.684 -0.141 34.430 1.00 21.54 C ATOM 542 CG2 VAL B 57 11.522 0.437 36.751 1.00 22.69 C ATOM 543 H VAL B 57 12.277 -2.733 37.472 1.00 0.00 H ATOM 544 N PRO B 58 9.483 -3.588 34.968 1.00 20.97 N ATOM 545 CA PRO B 58 9.417 -4.663 33.971 1.00 24.99 C ATOM 546 C PRO B 58 9.768 -4.145 32.585 1.00 22.55 C ATOM 547 O PRO B 58 9.652 -2.937 32.332 1.00 22.30 O ATOM 548 CB PRO B 58 7.949 -5.112 34.028 1.00 26.13 C ATOM 549 CG PRO B 58 7.444 -4.629 35.346 1.00 38.30 C ATOM 550 CD PRO B 58 8.182 -3.345 35.607 1.00 26.19 C ATOM 551 N ALA B 59 10.203 -5.045 31.703 1.00 22.47 N ATOM 552 CA ALA B 59 10.614 -4.676 30.349 1.00 22.71 C ATOM 553 C ALA B 59 9.628 -3.730 29.652 1.00 26.30 C ATOM 554 O ALA B 59 10.043 -2.760 29.031 1.00 21.64 O ATOM 555 CB ALA B 59 10.827 -5.934 29.509 1.00 24.35 C ATOM 556 H ALA B 59 10.252 -6.044 31.988 1.00 0.00 H ATOM 557 N GLU B 60 8.331 -4.002 29.779 1.00 22.38 N ATOM 558 CA GLU B 60 7.312 -3.188 29.099 1.00 25.52 C ATOM 559 C GLU B 60 7.325 -1.708 29.517 1.00 30.46 C ATOM 560 O GLU B 60 6.986 -0.835 28.719 1.00 29.70 O ATOM 561 CB GLU B 60 5.923 -3.802 29.290 1.00 30.78 C ATOM 562 CG GLU B 60 4.812 -3.091 28.528 1.00 56.38 C ATOM 563 CD GLU B 60 3.495 -3.846 28.574 1.00 80.03 C ATOM 564 OE1 GLU B 60 3.289 -4.631 29.523 1.00 89.30 O ATOM 565 OE2 GLU B 60 2.669 -3.662 27.655 1.00 86.76 O ATOM 566 H GLU B 60 8.033 -4.804 30.370 1.00 0.00 H ATOM 567 N LYS B 61 7.738 -1.423 30.749 1.00 24.23 N ATOM 568 CA LYS B 61 7.783 -0.045 31.253 1.00 23.21 C ATOM 569 C LYS B 61 9.202 0.509 31.249 1.00 23.53 C ATOM 570 O LYS B 61 9.460 1.638 31.698 1.00 24.93 O ATOM 571 CB LYS B 61 7.204 0.020 32.669 1.00 28.12 C ATOM 572 CG LYS B 61 5.698 -0.244 32.761 1.00 34.87 C ATOM 573 CD LYS B 61 5.237 -0.215 34.211 1.00 42.21 C ATOM 574 CE LYS B 61 3.750 0.080 34.333 1.00 52.77 C ATOM 575 NZ LYS B 61 3.425 1.461 33.857 1.00 55.91 N ATOM 576 HZ1 LYS B 61 3.947 2.155 34.429 1.00 0.00 H ATOM 577 HZ2 LYS B 61 3.699 1.556 32.858 1.00 0.00 H ATOM 578 HZ3 LYS B 61 2.403 1.628 33.954 1.00 0.00 H ATOM 579 H LYS B 61 8.038 -2.199 31.373 1.00 0.00 H ATOM 580 N ALA B 62 10.129 -0.301 30.756 1.00 21.16 N ATOM 581 CA ALA B 62 11.531 0.087 30.664 1.00 19.06 C ATOM 582 C ALA B 62 11.890 0.383 29.206 1.00 23.59 C ATOM 583 O ALA B 62 11.328 1.308 28.602 1.00 23.73 O ATOM 584 CB ALA B 62 12.433 -1.002 31.267 1.00 19.92 C ATOM 585 H ALA B 62 9.846 -1.245 30.424 1.00 0.00 H ATOM 586 N TYR B 63 12.808 -0.389 28.631 1.00 25.91 N ATOM 587 CA TYR B 63 13.214 -0.166 27.241 1.00 28.63 C ATOM 588 C TYR B 63 12.300 -0.859 26.220 1.00 34.64 C ATOM 589 O TYR B 63 12.527 -0.781 25.011 1.00 36.46 O ATOM 590 CB TYR B 63 14.700 -0.507 27.035 1.00 24.85 C ATOM 591 CG TYR B 63 15.610 0.384 27.861 1.00 25.14 C ATOM 592 CD1 TYR B 63 16.088 -0.039 29.092 1.00 28.84 C ATOM 593 CD2 TYR B 63 15.966 1.666 27.421 1.00 30.26 C ATOM 594 CE1 TYR B 63 16.910 0.783 29.871 1.00 27.26 C ATOM 595 CE2 TYR B 63 16.779 2.494 28.195 1.00 25.72 C ATOM 596 CZ TYR B 63 17.252 2.040 29.417 1.00 33.43 C ATOM 597 OH TYR B 63 18.068 2.838 30.205 1.00 30.35 O ATOM 598 HH TYR B 63 18.893 3.060 29.705 1.00 0.00 H ATOM 599 H TYR B 63 13.243 -1.161 29.175 1.00 0.00 H ATOM 600 N GLY B 64 11.245 -1.501 26.714 1.00 25.71 N ATOM 601 CA GLY B 64 10.251 -2.128 25.865 1.00 26.56 C ATOM 602 C GLY B 64 10.546 -3.601 25.667 1.00 24.30 C ATOM 603 O GLY B 64 11.615 -4.065 26.050 1.00 25.67 O ATOM 604 H GLY B 64 11.129 -1.555 27.746 1.00 0.00 H ATOM 605 N PRO B 65 9.599 -4.343 25.072 1.00 26.36 N ATOM 606 CA PRO B 65 9.851 -5.760 24.800 1.00 34.51 C ATOM 607 C PRO B 65 10.811 -5.923 23.630 1.00 29.55 C ATOM 608 O PRO B 65 11.032 -4.986 22.862 1.00 29.32 O ATOM 609 CB PRO B 65 8.470 -6.296 24.422 1.00 33.91 C ATOM 610 CG PRO B 65 7.756 -5.120 23.868 1.00 33.84 C ATOM 611 CD PRO B 65 8.253 -3.928 24.648 1.00 29.17 C ATOM 612 N HIS B 66 11.388 -7.105 23.499 1.00 27.66 N ATOM 613 CA HIS B 66 12.268 -7.357 22.387 1.00 26.81 C ATOM 614 C HIS B 66 11.413 -7.532 21.139 1.00 32.04 C ATOM 615 O HIS B 66 10.499 -8.350 21.115 1.00 32.65 O ATOM 616 CB HIS B 66 13.116 -8.592 22.652 1.00 27.87 C ATOM 617 CG HIS B 66 14.077 -8.899 21.551 1.00 31.14 C ATOM 618 ND1 HIS B 66 13.772 -9.755 20.517 1.00 32.46 N ATOM 619 CD2 HIS B 66 15.334 -8.456 21.318 1.00 32.24 C ATOM 620 CE1 HIS B 66 14.803 -9.829 19.695 1.00 33.61 C ATOM 621 NE2 HIS B 66 15.764 -9.056 20.161 1.00 33.44 N ATOM 622 H HIS B 66 11.207 -7.853 24.199 1.00 0.00 H ATOM 623 N ASP B 67 11.696 -6.734 20.118 1.00 24.67 N ATOM 624 CA ASP B 67 10.917 -6.760 18.874 1.00 25.42 C ATOM 625 C ASP B 67 11.578 -7.717 17.883 1.00 24.12 C ATOM 626 O ASP B 67 12.729 -7.521 17.510 1.00 25.99 O ATOM 627 CB ASP B 67 10.869 -5.338 18.306 1.00 31.06 C ATOM 628 CG ASP B 67 10.120 -5.242 16.995 1.00 38.88 C ATOM 629 OD1 ASP B 67 9.480 -6.228 16.573 1.00 33.79 O ATOM 630 OD2 ASP B 67 10.177 -4.155 16.386 1.00 45.47 O ATOM 631 H ASP B 67 12.493 -6.071 20.201 1.00 0.00 H ATOM 632 N PRO B 68 10.859 -8.768 17.459 1.00 28.76 N ATOM 633 CA PRO B 68 11.474 -9.729 16.536 1.00 32.04 C ATOM 634 C PRO B 68 11.820 -9.093 15.195 1.00 32.23 C ATOM 635 O PRO B 68 12.720 -9.566 14.497 1.00 32.94 O ATOM 636 CB PRO B 68 10.380 -10.791 16.355 1.00 32.23 C ATOM 637 CG PRO B 68 9.109 -10.089 16.687 1.00 33.80 C ATOM 638 CD PRO B 68 9.465 -9.122 17.779 1.00 34.99 C ATOM 639 N GLU B 69 11.118 -8.018 14.851 1.00 27.99 N ATOM 640 CA GLU B 69 11.380 -7.293 13.615 1.00 32.99 C ATOM 641 C GLU B 69 12.754 -6.622 13.659 1.00 30.28 C ATOM 642 O GLU B 69 13.308 -6.250 12.628 1.00 33.61 O ATOM 643 CB GLU B 69 10.282 -6.254 13.376 1.00 40.16 C ATOM 644 CG GLU B 69 10.360 -5.527 12.039 1.00 55.55 C ATOM 645 CD GLU B 69 10.069 -6.428 10.847 1.00 63.76 C ATOM 646 OE1 GLU B 69 9.598 -7.573 11.044 1.00 63.07 O ATOM 647 OE2 GLU B 69 10.311 -5.981 9.706 1.00 64.16 O ATOM 648 H GLU B 69 10.361 -7.685 15.482 1.00 0.00 H ATOM 649 N GLY B 70 13.306 -6.479 14.858 1.00 26.18 N ATOM 650 CA GLY B 70 14.602 -5.847 15.015 1.00 24.54 C ATOM 651 C GLY B 70 15.737 -6.781 14.643 1.00 29.14 C ATOM 652 O GLY B 70 16.884 -6.361 14.517 1.00 27.66 O ATOM 653 H GLY B 70 12.801 -6.826 15.698 1.00 0.00 H ATOM 654 N VAL B 71 15.420 -8.061 14.477 1.00 30.00 N ATOM 655 CA VAL B 71 16.435 -9.045 14.143 1.00 28.22 C ATOM 656 C VAL B 71 16.397 -9.330 12.641 1.00 29.59 C ATOM 657 O VAL B 71 15.343 -9.681 12.090 1.00 28.94 O ATOM 658 CB VAL B 71 16.248 -10.347 14.940 1.00 32.91 C ATOM 659 CG1 VAL B 71 17.320 -11.351 14.555 1.00 32.92 C ATOM 660 CG2 VAL B 71 16.303 -10.058 16.444 1.00 33.85 C ATOM 661 H VAL B 71 14.431 -8.362 14.588 1.00 0.00 H ATOM 662 N GLN B 72 17.539 -9.146 11.979 1.00 25.58 N ATOM 663 CA GLN B 72 17.611 -9.239 10.521 1.00 27.22 C ATOM 664 C GLN B 72 18.910 -9.889 10.065 1.00 27.91 C ATOM 665 O GLN B 72 19.911 -9.880 10.777 1.00 30.49 O ATOM 666 CB GLN B 72 17.485 -7.853 9.871 1.00 27.81 C ATOM 667 CG GLN B 72 16.227 -7.056 10.227 1.00 33.97 C ATOM 668 CD GLN B 72 14.977 -7.565 9.531 1.00 41.50 C ATOM 669 OE1 GLN B 72 15.034 -8.078 8.412 1.00 38.98 O ATOM 670 NE2 GLN B 72 13.834 -7.418 10.194 1.00 35.34 N ATOM 671 HE22 GLN B 72 13.832 -6.979 11.137 1.00 0.00 H ATOM 672 HE21 GLN B 72 12.941 -7.742 9.770 1.00 0.00 H ATOM 673 H GLN B 72 18.404 -8.930 12.515 1.00 0.00 H ATOM 674 N VAL B 73 18.889 -10.443 8.864 1.00 29.47 N ATOM 675 CA VAL B 73 20.079 -11.046 8.296 1.00 30.43 C ATOM 676 C VAL B 73 20.597 -10.158 7.175 1.00 34.25 C ATOM 677 O VAL B 73 19.850 -9.788 6.268 1.00 33.35 O ATOM 678 CB VAL B 73 19.770 -12.453 7.760 1.00 31.41 C ATOM 679 CG1 VAL B 73 21.009 -13.064 7.148 1.00 33.50 C ATOM 680 CG2 VAL B 73 19.225 -13.321 8.887 1.00 32.37 C ATOM 681 H VAL B 73 18.004 -10.446 8.318 1.00 0.00 H ATOM 682 N VAL B 74 21.877 -9.808 7.241 1.00 31.98 N ATOM 683 CA VAL B 74 22.485 -8.967 6.220 1.00 33.53 C ATOM 684 C VAL B 74 23.741 -9.649 5.701 1.00 34.74 C ATOM 685 O VAL B 74 24.292 -10.517 6.368 1.00 34.04 O ATOM 686 CB VAL B 74 22.850 -7.577 6.774 1.00 32.82 C ATOM 687 CG1 VAL B 74 21.605 -6.843 7.246 1.00 33.23 C ATOM 688 CG2 VAL B 74 23.873 -7.712 7.888 1.00 32.62 C ATOM 689 H VAL B 74 22.456 -10.141 8.038 1.00 0.00 H ATOM 690 N PRO B 75 24.187 -9.276 4.496 1.00 36.74 N ATOM 691 CA PRO B 75 25.403 -9.906 3.977 1.00 38.10 C ATOM 692 C PRO B 75 26.623 -9.356 4.696 1.00 40.18 C ATOM 693 O PRO B 75 26.577 -8.238 5.188 1.00 36.79 O ATOM 694 CB PRO B 75 25.418 -9.472 2.512 1.00 40.53 C ATOM 695 CG PRO B 75 24.653 -8.191 2.498 1.00 42.42 C ATOM 696 CD PRO B 75 23.576 -8.361 3.515 1.00 38.10 C ATOM 697 N LEU B 76 27.695 -10.137 4.755 1.00 45.15 N ATOM 698 CA LEU B 76 28.939 -9.676 5.355 1.00 45.64 C ATOM 699 C LEU B 76 29.512 -8.491 4.572 1.00 51.30 C ATOM 700 O LEU B 76 30.203 -7.647 5.135 1.00 58.54 O ATOM 701 CB LEU B 76 29.946 -10.820 5.413 1.00 48.69 C ATOM 702 CG LEU B 76 31.256 -10.578 6.154 1.00 44.75 C ATOM 703 CD1 LEU B 76 31.015 -10.423 7.646 1.00 47.53 C ATOM 704 CD2 LEU B 76 32.228 -11.712 5.874 1.00 47.08 C ATOM 705 H LEU B 76 27.645 -11.099 4.364 1.00 0.00 H ATOM 706 N SER B 77 29.199 -8.417 3.281 1.00 41.47 N ATOM 707 CA SER B 77 29.669 -7.321 2.430 1.00 43.40 C ATOM 708 C SER B 77 29.032 -5.987 2.810 1.00 44.74 C ATOM 709 O SER B 77 29.404 -4.939 2.282 1.00 51.69 O ATOM 710 CB SER B 77 29.376 -7.620 0.958 1.00 53.38 C ATOM 711 OG SER B 77 27.986 -7.535 0.696 1.00 51.32 O ATOM 712 HG SER B 77 27.819 -7.732 -0.260 1.00 0.00 H ATOM 713 H SER B 77 28.603 -9.160 2.863 1.00 0.00 H ATOM 714 N ALA B 78 28.063 -6.035 3.714 1.00 40.30 N ATOM 715 CA ALA B 78 27.381 -4.835 4.173 1.00 45.57 C ATOM 716 C ALA B 78 28.259 -4.022 5.117 1.00 45.66 C ATOM 717 O ALA B 78 28.026 -2.828 5.313 1.00 45.59 O ATOM 718 CB ALA B 78 26.097 -5.205 4.868 1.00 43.51 C ATOM 719 H ALA B 78 27.783 -6.957 4.106 1.00 0.00 H ATOM 720 N PHE B 79 29.260 -4.676 5.699 1.00 43.86 N ATOM 721 CA PHE B 79 30.083 -4.060 6.744 1.00 44.43 C ATOM 722 C PHE B 79 31.355 -3.444 6.165 1.00 49.66 C ATOM 723 O PHE B 79 31.791 -3.831 5.080 1.00 50.14 O ATOM 724 CB PHE B 79 30.448 -5.102 7.805 1.00 37.87 C ATOM 725 CG PHE B 79 29.273 -5.618 8.578 1.00 44.22 C ATOM 726 CD1 PHE B 79 28.896 -5.014 9.772 1.00 39.59 C ATOM 727 CD2 PHE B 79 28.546 -6.712 8.117 1.00 33.79 C ATOM 728 CE1 PHE B 79 27.815 -5.482 10.498 1.00 40.41 C ATOM 729 CE2 PHE B 79 27.465 -7.189 8.836 1.00 32.11 C ATOM 730 CZ PHE B 79 27.097 -6.568 10.037 1.00 34.31 C ATOM 731 H PHE B 79 29.465 -5.652 5.404 1.00 0.00 H ATOM 732 N PRO B 80 31.951 -2.474 6.887 1.00 51.14 N ATOM 733 CA PRO B 80 33.228 -1.873 6.479 1.00 52.42 C ATOM 734 C PRO B 80 34.321 -2.924 6.300 1.00 46.65 C ATOM 735 O PRO B 80 34.378 -3.874 7.076 1.00 52.06 O ATOM 736 CB PRO B 80 33.570 -0.962 7.659 1.00 51.30 C ATOM 737 CG PRO B 80 32.248 -0.604 8.243 1.00 47.83 C ATOM 738 CD PRO B 80 31.400 -1.828 8.093 1.00 46.93 C ATOM 739 N GLU B 81 35.175 -2.741 5.298 1.00 55.53 N ATOM 740 CA GLU B 81 36.219 -3.708 4.955 1.00 67.14 C ATOM 741 C GLU B 81 37.130 -4.095 6.125 1.00 69.53 C ATOM 742 O GLU B 81 37.528 -5.255 6.261 1.00 66.86 O ATOM 743 CB GLU B 81 37.063 -3.172 3.793 1.00 80.85 C ATOM 744 CG GLU B 81 38.282 -4.020 3.453 1.00 93.41 C ATOM 745 CD GLU B 81 37.914 -5.411 2.969 1.00101.17 C ATOM 746 OE1 GLU B 81 37.415 -5.534 1.830 1.00104.78 O ATOM 747 OE2 GLU B 81 38.126 -6.383 3.727 1.00101.03 O ATOM 748 H GLU B 81 35.098 -1.872 4.732 1.00 0.00 H ATOM 749 N ASP B 82 37.452 -3.122 6.970 1.00 74.09 N ATOM 750 CA ASP B 82 38.398 -3.334 8.058 1.00 78.20 C ATOM 751 C ASP B 82 37.755 -3.977 9.285 1.00 77.44 C ATOM 752 O ASP B 82 38.435 -4.606 10.096 1.00 81.50 O ATOM 753 CB ASP B 82 39.041 -2.002 8.451 1.00 88.08 C ATOM 754 CG ASP B 82 38.020 -0.971 8.905 1.00 94.38 C ATOM 755 OD1 ASP B 82 36.804 -1.224 8.759 1.00 93.86 O ATOM 756 OD2 ASP B 82 38.432 0.098 9.403 1.00100.49 O ATOM 757 H ASP B 82 37.018 -2.184 6.852 1.00 0.00 H ATOM 758 N ALA B 83 36.440 -3.818 9.406 1.00 69.47 N ATOM 759 CA ALA B 83 35.724 -4.163 10.629 1.00 56.30 C ATOM 760 C ALA B 83 35.822 -5.632 11.022 1.00 46.11 C ATOM 761 O ALA B 83 35.828 -6.520 10.169 1.00 46.16 O ATOM 762 CB ALA B 83 34.262 -3.744 10.520 1.00 51.00 C ATOM 763 H ALA B 83 35.904 -3.435 8.601 1.00 0.00 H ATOM 764 N GLU B 84 35.915 -5.871 12.327 1.00 46.20 N ATOM 765 CA GLU B 84 35.748 -7.206 12.880 1.00 50.96 C ATOM 766 C GLU B 84 34.262 -7.435 13.118 1.00 39.91 C ATOM 767 O GLU B 84 33.668 -6.855 14.032 1.00 38.08 O ATOM 768 CB GLU B 84 36.518 -7.362 14.193 1.00 57.66 C ATOM 769 CG GLU B 84 38.015 -7.596 14.025 1.00 72.81 C ATOM 770 CD GLU B 84 38.850 -6.369 14.362 1.00 86.77 C ATOM 771 OE1 GLU B 84 38.336 -5.237 14.226 1.00 91.88 O ATOM 772 OE2 GLU B 84 40.020 -6.538 14.770 1.00 89.75 O ATOM 773 H GLU B 84 36.113 -5.079 12.972 1.00 0.00 H ATOM 774 N VAL B 85 33.655 -8.259 12.271 1.00 41.98 N ATOM 775 CA VAL B 85 32.243 -8.574 12.406 1.00 42.59 C ATOM 776 C VAL B 85 32.109 -9.814 13.272 1.00 36.50 C ATOM 777 O VAL B 85 32.238 -10.939 12.792 1.00 40.96 O ATOM 778 CB VAL B 85 31.580 -8.814 11.037 1.00 42.17 C ATOM 779 CG1 VAL B 85 30.070 -8.928 11.197 1.00 37.98 C ATOM 780 CG2 VAL B 85 31.924 -7.685 10.091 1.00 40.04 C ATOM 781 H VAL B 85 34.201 -8.687 11.496 1.00 0.00 H ATOM 782 N VAL B 86 31.864 -9.589 14.558 1.00 37.28 N ATOM 783 CA VAL B 86 31.796 -10.651 15.548 1.00 41.82 C ATOM 784 C VAL B 86 30.603 -10.396 16.460 1.00 39.29 C ATOM 785 O VAL B 86 30.141 -9.259 16.577 1.00 38.34 O ATOM 786 CB VAL B 86 33.078 -10.689 16.410 1.00 43.37 C ATOM 787 CG1 VAL B 86 34.289 -11.095 15.568 1.00 45.37 C ATOM 788 CG2 VAL B 86 33.302 -9.344 17.075 1.00 39.38 C ATOM 789 H VAL B 86 31.714 -8.609 14.871 1.00 0.00 H ATOM 790 N PRO B 87 30.090 -11.454 17.104 1.00 38.18 N ATOM 791 CA PRO B 87 28.988 -11.263 18.049 1.00 41.51 C ATOM 792 C PRO B 87 29.340 -10.215 19.094 1.00 39.62 C ATOM 793 O PRO B 87 30.460 -10.201 19.611 1.00 39.97 O ATOM 794 CB PRO B 87 28.844 -12.645 18.691 1.00 44.57 C ATOM 795 CG PRO B 87 29.287 -13.582 17.631 1.00 42.01 C ATOM 796 CD PRO B 87 30.408 -12.881 16.908 1.00 40.38 C ATOM 797 N GLY B 88 28.398 -9.322 19.372 1.00 32.24 N ATOM 798 CA GLY B 88 28.621 -8.266 20.339 1.00 31.94 C ATOM 799 C GLY B 88 29.109 -6.974 19.713 1.00 31.09 C ATOM 800 O GLY B 88 28.971 -5.908 20.317 1.00 35.20 O ATOM 801 H GLY B 88 27.481 -9.381 18.886 1.00 0.00 H ATOM 802 N ALA B 89 29.684 -7.061 18.513 1.00 28.91 N ATOM 803 CA ALA B 89 30.224 -5.875 17.856 1.00 28.01 C ATOM 804 C ALA B 89 29.077 -4.962 17.476 1.00 35.32 C ATOM 805 O ALA B 89 27.994 -5.427 17.109 1.00 33.83 O ATOM 806 CB ALA B 89 31.059 -6.245 16.639 1.00 31.04 C ATOM 807 H ALA B 89 29.748 -7.985 18.040 1.00 0.00 H ATOM 808 N GLN B 90 29.300 -3.662 17.590 1.00 33.62 N ATOM 809 CA GLN B 90 28.229 -2.710 17.354 1.00 33.47 C ATOM 810 C GLN B 90 28.526 -1.786 16.178 1.00 32.08 C ATOM 811 O GLN B 90 29.681 -1.436 15.905 1.00 30.59 O ATOM 812 CB GLN B 90 27.898 -1.941 18.638 1.00 32.46 C ATOM 813 CG GLN B 90 27.321 -2.860 19.730 1.00 33.44 C ATOM 814 CD GLN B 90 26.955 -2.137 21.002 1.00 38.65 C ATOM 815 OE1 GLN B 90 27.756 -1.390 21.552 1.00 36.05 O ATOM 816 NE2 GLN B 90 25.730 -2.358 21.482 1.00 40.08 N ATOM 817 HE22 GLN B 90 25.083 -3.001 20.981 1.00 0.00 H ATOM 818 HE21 GLN B 90 25.422 -1.888 22.357 1.00 0.00 H ATOM 819 H GLN B 90 30.247 -3.321 17.850 1.00 0.00 H ATOM 820 N PHE B 91 27.465 -1.424 15.469 1.00 31.04 N ATOM 821 CA PHE B 91 27.570 -0.638 14.253 1.00 32.83 C ATOM 822 C PHE B 91 26.290 0.167 14.172 1.00 26.33 C ATOM 823 O PHE B 91 25.495 0.158 15.100 1.00 30.17 O ATOM 824 CB PHE B 91 27.669 -1.550 13.024 1.00 27.97 C ATOM 825 CG PHE B 91 28.901 -2.426 12.992 1.00 33.64 C ATOM 826 CD1 PHE B 91 28.898 -3.682 13.591 1.00 29.12 C ATOM 827 CD2 PHE B 91 30.052 -2.003 12.344 1.00 33.71 C ATOM 828 CE1 PHE B 91 30.022 -4.487 13.564 1.00 28.51 C ATOM 829 CE2 PHE B 91 31.185 -2.811 12.308 1.00 38.72 C ATOM 830 CZ PHE B 91 31.167 -4.056 12.923 1.00 34.58 C ATOM 831 H PHE B 91 26.522 -1.714 15.797 1.00 0.00 H ATOM 832 N TYR B 92 26.075 0.857 13.060 1.00 32.93 N ATOM 833 CA TYR B 92 24.772 1.466 12.843 1.00 34.81 C ATOM 834 C TYR B 92 24.443 1.530 11.361 1.00 29.08 C ATOM 835 O TYR B 92 25.331 1.666 10.532 1.00 34.05 O ATOM 836 CB TYR B 92 24.687 2.855 13.488 1.00 37.55 C ATOM 837 CG TYR B 92 25.461 3.934 12.774 1.00 42.87 C ATOM 838 CD1 TYR B 92 24.845 4.757 11.830 1.00 51.86 C ATOM 839 CD2 TYR B 92 26.807 4.137 13.038 1.00 48.14 C ATOM 840 CE1 TYR B 92 25.558 5.748 11.168 1.00 52.99 C ATOM 841 CE2 TYR B 92 27.528 5.127 12.385 1.00 50.22 C ATOM 842 CZ TYR B 92 26.899 5.927 11.452 1.00 55.33 C ATOM 843 OH TYR B 92 27.613 6.909 10.805 1.00 59.50 O ATOM 844 HH TYR B 92 27.018 7.387 10.174 1.00 0.00 H ATOM 845 H TYR B 92 26.829 0.961 12.351 1.00 0.00 H ATOM 846 N ALA B 93 23.160 1.394 11.042 1.00 31.40 N ATOM 847 CA ALA B 93 22.665 1.631 9.692 1.00 32.13 C ATOM 848 C ALA B 93 21.932 2.966 9.750 1.00 43.03 C ATOM 849 O ALA B 93 22.016 3.672 10.755 1.00 41.23 O ATOM 850 CB ALA B 93 21.727 0.525 9.269 1.00 31.59 C ATOM 851 H ALA B 93 22.486 1.109 11.781 1.00 0.00 H ATOM 852 N GLN B 94 21.211 3.312 8.690 1.00 39.27 N ATOM 853 CA GLN B 94 20.459 4.562 8.685 1.00 47.07 C ATOM 854 C GLN B 94 18.975 4.346 8.397 1.00 52.10 C ATOM 855 O GLN B 94 18.607 3.535 7.542 1.00 50.26 O ATOM 856 CB GLN B 94 21.076 5.548 7.694 1.00 52.19 C ATOM 857 CG GLN B 94 22.503 5.926 8.055 1.00 59.17 C ATOM 858 CD GLN B 94 23.109 6.931 7.107 1.00 72.28 C ATOM 859 OE1 GLN B 94 22.693 7.049 5.955 1.00 76.06 O ATOM 860 NE2 GLN B 94 24.101 7.669 7.590 1.00 77.68 N ATOM 861 HE22 GLN B 94 24.420 7.534 8.571 1.00 0.00 H ATOM 862 HE21 GLN B 94 24.560 8.382 6.988 1.00 0.00 H ATOM 863 H GLN B 94 21.182 2.688 7.858 1.00 0.00 H ATOM 864 N ASP B 95 18.120 5.060 9.123 1.00 49.52 N ATOM 865 CA ASP B 95 16.682 4.946 8.890 1.00 54.88 C ATOM 866 C ASP B 95 16.243 5.852 7.745 1.00 51.63 C ATOM 867 O ASP B 95 17.037 6.633 7.223 1.00 50.91 O ATOM 868 CB ASP B 95 15.858 5.191 10.170 1.00 55.85 C ATOM 869 CG ASP B 95 16.077 6.572 10.771 1.00 54.35 C ATOM 870 OD1 ASP B 95 16.318 7.539 10.017 1.00 44.17 O ATOM 871 OD2 ASP B 95 15.991 6.683 12.014 1.00 56.91 O ATOM 872 H ASP B 95 18.476 5.702 9.860 1.00 0.00 H ATOM 873 N MET B 96 14.975 5.755 7.367 1.00 62.85 N ATOM 874 CA MET B 96 14.467 6.486 6.208 1.00 74.79 C ATOM 875 C MET B 96 14.573 8.007 6.338 1.00 77.58 C ATOM 876 O MET B 96 14.487 8.729 5.346 1.00 76.47 O ATOM 877 CB MET B 96 13.031 6.057 5.893 1.00 81.32 C ATOM 878 CG MET B 96 12.923 4.585 5.506 1.00 83.72 C ATOM 879 SD MET B 96 11.240 4.021 5.199 1.00117.13 S ATOM 880 CE MET B 96 11.534 2.300 4.811 1.00 67.60 C ATOM 881 H MET B 96 14.328 5.145 7.907 1.00 0.00 H ATOM 882 N GLU B 97 14.781 8.489 7.559 1.00 83.69 N ATOM 883 CA GLU B 97 14.932 9.921 7.793 1.00 84.93 C ATOM 884 C GLU B 97 16.395 10.330 7.999 1.00 77.55 C ATOM 885 O GLU B 97 16.684 11.432 8.464 1.00 72.41 O ATOM 886 CB GLU B 97 14.049 10.367 8.962 1.00 89.92 C ATOM 887 CG GLU B 97 12.560 10.154 8.696 1.00 99.40 C ATOM 888 CD GLU B 97 11.671 10.567 9.860 1.00106.04 C ATOM 889 OE1 GLU B 97 12.197 10.785 10.974 1.00106.62 O ATOM 890 OE2 GLU B 97 10.441 10.669 9.655 1.00108.62 O ATOM 891 H GLU B 97 14.837 7.832 8.363 1.00 0.00 H ATOM 892 N GLY B 98 17.309 9.434 7.636 1.00 73.75 N ATOM 893 CA GLY B 98 18.729 9.734 7.641 1.00 68.19 C ATOM 894 C GLY B 98 19.427 9.558 8.977 1.00 64.11 C ATOM 895 O GLY B 98 20.637 9.760 9.080 1.00 63.36 O ATOM 896 H GLY B 98 16.996 8.488 7.339 1.00 0.00 H ATOM 897 N ASN B 99 18.670 9.177 10.001 1.00 51.77 N ATOM 898 CA ASN B 99 19.211 9.055 11.356 1.00 59.72 C ATOM 899 C ASN B 99 19.863 7.702 11.612 1.00 57.15 C ATOM 900 O ASN B 99 19.436 6.698 11.042 1.00 53.72 O ATOM 901 CB ASN B 99 18.107 9.301 12.391 1.00 60.23 C ATOM 902 CG ASN B 99 17.618 10.736 12.389 1.00 61.70 C ATOM 903 OD1 ASN B 99 18.412 11.673 12.288 1.00 58.55 O ATOM 904 ND2 ASN B 99 16.305 10.916 12.500 1.00 56.17 N ATOM 905 HD22 ASN B 99 15.673 10.094 12.583 1.00 0.00 H ATOM 906 HD21 ASN B 99 15.911 11.878 12.504 1.00 0.00 H ATOM 907 H ASN B 99 17.667 8.960 9.835 1.00 0.00 H ATOM 908 N PRO B 100 20.898 7.676 12.469 1.00 53.51 N ATOM 909 CA PRO B 100 21.587 6.434 12.839 1.00 53.55 C ATOM 910 C PRO B 100 20.657 5.403 13.476 1.00 49.33 C ATOM 911 O PRO B 100 19.787 5.749 14.276 1.00 46.26 O ATOM 912 CB PRO B 100 22.623 6.899 13.865 1.00 49.69 C ATOM 913 CG PRO B 100 22.840 8.329 13.562 1.00 53.72 C ATOM 914 CD PRO B 100 21.515 8.853 13.103 1.00 56.97 C ATOM 915 N MET B 101 20.852 4.142 13.108 1.00 44.79 N ATOM 916 CA MET B 101 20.122 3.026 13.692 1.00 36.00 C ATOM 917 C MET B 101 21.141 2.058 14.246 1.00 34.54 C ATOM 918 O MET B 101 21.661 1.224 13.510 1.00 35.86 O ATOM 919 CB MET B 101 19.324 2.284 12.627 1.00 43.86 C ATOM 920 CG MET B 101 18.178 3.041 12.023 1.00 51.74 C ATOM 921 SD MET B 101 17.437 2.029 10.731 1.00 57.80 S ATOM 922 CE MET B 101 16.778 0.668 11.684 1.00 35.82 C ATOM 923 H MET B 101 21.557 3.943 12.370 1.00 0.00 H ATOM 924 N PRO B 102 21.440 2.160 15.544 1.00 31.78 N ATOM 925 CA PRO B 102 22.463 1.268 16.086 1.00 27.10 C ATOM 926 C PRO B 102 22.013 -0.192 16.044 1.00 27.43 C ATOM 927 O PRO B 102 20.814 -0.490 16.095 1.00 26.78 O ATOM 928 CB PRO B 102 22.638 1.753 17.533 1.00 31.94 C ATOM 929 CG PRO B 102 21.440 2.586 17.822 1.00 41.50 C ATOM 930 CD PRO B 102 20.982 3.159 16.521 1.00 39.92 C ATOM 931 N LEU B 103 22.985 -1.085 15.937 1.00 24.62 N ATOM 932 CA LEU B 103 22.706 -2.511 15.877 1.00 24.69 C ATOM 933 C LEU B 103 23.844 -3.255 16.541 1.00 26.08 C ATOM 934 O LEU B 103 24.961 -2.745 16.634 1.00 29.31 O ATOM 935 CB LEU B 103 22.567 -2.965 14.419 1.00 23.69 C ATOM 936 CG LEU B 103 23.807 -2.859 13.519 1.00 26.30 C ATOM 937 CD1 LEU B 103 24.731 -4.078 13.650 1.00 25.22 C ATOM 938 CD2 LEU B 103 23.390 -2.643 12.062 1.00 31.21 C ATOM 939 H LEU B 103 23.972 -0.759 15.895 1.00 0.00 H ATOM 940 N THR B 104 23.550 -4.472 16.978 1.00 28.58 N ATOM 941 CA THR B 104 24.557 -5.360 17.522 1.00 27.18 C ATOM 942 C THR B 104 24.578 -6.631 16.687 1.00 29.68 C ATOM 943 O THR B 104 23.530 -7.171 16.346 1.00 27.43 O ATOM 944 CB THR B 104 24.228 -5.725 18.981 1.00 29.42 C ATOM 945 OG1 THR B 104 24.062 -4.521 19.748 1.00 36.33 O ATOM 946 CG2 THR B 104 25.343 -6.569 19.585 1.00 32.62 C ATOM 947 HG1 THR B 104 23.322 -3.987 19.365 1.00 0.00 H ATOM 948 H THR B 104 22.564 -4.800 16.929 1.00 0.00 H ATOM 949 N VAL B 105 25.773 -7.091 16.341 1.00 27.28 N ATOM 950 CA VAL B 105 25.931 -8.363 15.652 1.00 26.81 C ATOM 951 C VAL B 105 25.593 -9.501 16.619 1.00 33.97 C ATOM 952 O VAL B 105 26.086 -9.533 17.744 1.00 31.39 O ATOM 953 CB VAL B 105 27.360 -8.523 15.090 1.00 28.76 C ATOM 954 CG1 VAL B 105 27.542 -9.895 14.466 1.00 28.70 C ATOM 955 CG2 VAL B 105 27.645 -7.435 14.063 1.00 35.83 C ATOM 956 H VAL B 105 26.618 -6.529 16.568 1.00 0.00 H ATOM 957 N VAL B 106 24.726 -10.409 16.179 1.00 28.70 N ATOM 958 CA VAL B 106 24.260 -11.514 17.002 1.00 31.78 C ATOM 959 C VAL B 106 24.993 -12.802 16.647 1.00 38.59 C ATOM 960 O VAL B 106 25.469 -13.529 17.527 1.00 37.98 O ATOM 961 CB VAL B 106 22.759 -11.746 16.797 1.00 36.35 C ATOM 962 CG1 VAL B 106 22.328 -13.032 17.474 1.00 44.54 C ATOM 963 CG2 VAL B 106 21.965 -10.566 17.324 1.00 37.98 C ATOM 964 H VAL B 106 24.367 -10.325 15.207 1.00 0.00 H ATOM 965 N ALA B 107 25.087 -13.071 15.349 1.00 33.89 N ATOM 966 CA ALA B 107 25.705 -14.294 14.853 1.00 41.43 C ATOM 967 C ALA B 107 26.285 -14.088 13.460 1.00 42.51 C ATOM 968 O ALA B 107 25.807 -13.253 12.697 1.00 36.47 O ATOM 969 CB ALA B 107 24.691 -15.431 14.830 1.00 43.75 C ATOM 970 H ALA B 107 24.707 -12.386 14.665 1.00 0.00 H ATOM 971 N VAL B 108 27.322 -14.855 13.139 1.00 41.06 N ATOM 972 CA VAL B 108 27.946 -14.799 11.824 1.00 46.69 C ATOM 973 C VAL B 108 28.093 -16.215 11.272 1.00 45.37 C ATOM 974 O VAL B 108 28.851 -17.014 11.811 1.00 55.33 O ATOM 975 CB VAL B 108 29.339 -14.121 11.877 1.00 34.00 C ATOM 976 CG1 VAL B 108 30.011 -14.198 10.519 1.00 43.94 C ATOM 977 CG2 VAL B 108 29.221 -12.673 12.338 1.00 36.04 C ATOM 978 H VAL B 108 27.699 -15.515 13.848 1.00 0.00 H ATOM 979 N GLU B 109 27.357 -16.523 10.207 1.00 42.50 N ATOM 980 CA GLU B 109 27.414 -17.842 9.576 1.00 42.96 C ATOM 981 C GLU B 109 27.850 -17.687 8.133 1.00 43.62 C ATOM 982 O GLU B 109 27.035 -17.372 7.266 1.00 46.53 O ATOM 983 CB GLU B 109 26.042 -18.519 9.614 1.00 51.55 C ATOM 984 CG GLU B 109 25.425 -18.609 10.999 1.00 65.35 C ATOM 985 CD GLU B 109 26.166 -19.575 11.902 1.00 79.46 C ATOM 986 OE1 GLU B 109 26.536 -20.670 11.423 1.00 84.44 O ATOM 987 OE2 GLU B 109 26.383 -19.237 13.087 1.00 80.01 O ATOM 988 H GLU B 109 26.720 -15.803 9.810 1.00 0.00 H ATOM 989 N GLY B 110 29.133 -17.915 7.875 1.00 44.82 N ATOM 990 CA GLY B 110 29.698 -17.667 6.562 1.00 48.31 C ATOM 991 C GLY B 110 29.482 -16.223 6.151 1.00 50.74 C ATOM 992 O GLY B 110 30.052 -15.300 6.737 1.00 47.32 O ATOM 993 H GLY B 110 29.746 -18.280 8.632 1.00 0.00 H ATOM 994 N GLU B 111 28.625 -16.031 5.157 1.00 45.82 N ATOM 995 CA GLU B 111 28.356 -14.712 4.603 1.00 45.32 C ATOM 996 C GLU B 111 27.119 -14.079 5.210 1.00 42.19 C ATOM 997 O GLU B 111 26.805 -12.921 4.926 1.00 40.41 O ATOM 998 CB GLU B 111 28.155 -14.825 3.101 1.00 48.26 C ATOM 999 CG GLU B 111 29.389 -15.267 2.356 1.00 66.21 C ATOM 1000 CD GLU B 111 30.069 -14.108 1.678 1.00 70.32 C ATOM 1001 OE1 GLU B 111 30.717 -13.299 2.380 1.00 73.08 O ATOM 1002 OE2 GLU B 111 29.928 -13.993 0.446 1.00 57.08 O ATOM 1003 H GLU B 111 28.127 -16.853 4.759 1.00 0.00 H ATOM 1004 N GLU B 112 26.412 -14.846 6.034 1.00 37.58 N ATOM 1005 CA GLU B 112 25.179 -14.372 6.647 1.00 35.77 C ATOM 1006 C GLU B 112 25.388 -13.848 8.069 1.00 40.04 C ATOM 1007 O GLU B 112 25.734 -14.597 8.984 1.00 38.67 O ATOM 1008 CB GLU B 112 24.119 -15.470 6.617 1.00 35.50 C ATOM 1009 CG GLU B 112 23.800 -15.945 5.216 1.00 42.61 C ATOM 1010 CD GLU B 112 22.685 -16.965 5.181 1.00 45.62 C ATOM 1011 OE1 GLU B 112 21.962 -17.098 6.191 1.00 44.98 O ATOM 1012 OE2 GLU B 112 22.530 -17.634 4.140 1.00 46.88 O ATOM 1013 H GLU B 112 26.747 -15.807 6.246 1.00 0.00 H ATOM 1014 N VAL B 113 25.182 -12.549 8.246 1.00 32.18 N ATOM 1015 CA VAL B 113 25.347 -11.927 9.549 1.00 30.50 C ATOM 1016 C VAL B 113 23.993 -11.548 10.121 1.00 29.22 C ATOM 1017 O VAL B 113 23.244 -10.797 9.502 1.00 30.99 O ATOM 1018 CB VAL B 113 26.216 -10.660 9.462 1.00 30.79 C ATOM 1019 CG1 VAL B 113 26.442 -10.080 10.859 1.00 29.17 C ATOM 1020 CG2 VAL B 113 27.542 -10.972 8.774 1.00 34.40 C ATOM 1021 H VAL B 113 24.896 -11.964 7.435 1.00 0.00 H ATOM 1022 N THR B 114 23.680 -12.075 11.299 1.00 27.92 N ATOM 1023 CA THR B 114 22.440 -11.728 11.975 1.00 27.19 C ATOM 1024 C THR B 114 22.710 -10.543 12.869 1.00 28.22 C ATOM 1025 O THR B 114 23.635 -10.564 13.682 1.00 28.26 O ATOM 1026 CB THR B 114 21.888 -12.896 12.814 1.00 30.95 C ATOM 1027 OG1 THR B 114 21.683 -14.031 11.962 1.00 34.43 O ATOM 1028 CG2 THR B 114 20.570 -12.524 13.449 1.00 33.76 C ATOM 1029 HG1 THR B 114 22.545 -14.294 11.551 1.00 0.00 H ATOM 1030 H THR B 114 24.334 -12.749 11.747 1.00 0.00 H ATOM 1031 N VAL B 115 21.906 -9.502 12.706 1.00 25.40 N ATOM 1032 CA VAL B 115 22.067 -8.308 13.516 1.00 28.12 C ATOM 1033 C VAL B 115 20.781 -8.035 14.276 1.00 28.89 C ATOM 1034 O VAL B 115 19.715 -8.517 13.901 1.00 26.47 O ATOM 1035 CB VAL B 115 22.471 -7.092 12.655 1.00 25.33 C ATOM 1036 CG1 VAL B 115 23.766 -7.372 11.926 1.00 26.57 C ATOM 1037 CG2 VAL B 115 21.371 -6.748 11.656 1.00 26.21 C ATOM 1038 H VAL B 115 21.152 -9.541 11.991 1.00 0.00 H ATOM 1039 N ASP B 116 20.888 -7.279 15.361 1.00 24.97 N ATOM 1040 CA ASP B 116 19.729 -6.935 16.168 1.00 24.87 C ATOM 1041 C ASP B 116 19.715 -5.425 16.365 1.00 24.02 C ATOM 1042 O ASP B 116 20.672 -4.848 16.900 1.00 25.92 O ATOM 1043 CB ASP B 116 19.777 -7.654 17.520 1.00 24.23 C ATOM 1044 CG ASP B 116 18.431 -7.661 18.238 1.00 32.77 C ATOM 1045 OD1 ASP B 116 17.573 -6.813 17.930 1.00 28.84 O ATOM 1046 OD2 ASP B 116 18.226 -8.529 19.119 1.00 37.69 O ATOM 1047 H ASP B 116 21.824 -6.924 15.641 1.00 0.00 H ATOM 1048 N PHE B 117 18.633 -4.796 15.916 1.00 23.58 N ATOM 1049 CA PHE B 117 18.444 -3.355 16.061 1.00 24.02 C ATOM 1050 C PHE B 117 17.790 -2.964 17.386 1.00 31.36 C ATOM 1051 O PHE B 117 17.637 -1.777 17.676 1.00 28.43 O ATOM 1052 CB PHE B 117 17.599 -2.823 14.909 1.00 22.72 C ATOM 1053 CG PHE B 117 18.336 -2.766 13.596 1.00 29.41 C ATOM 1054 CD1 PHE B 117 19.225 -1.733 13.328 1.00 30.35 C ATOM 1055 CD2 PHE B 117 18.140 -3.739 12.636 1.00 28.50 C ATOM 1056 CE1 PHE B 117 19.900 -1.669 12.113 1.00 28.56 C ATOM 1057 CE2 PHE B 117 18.813 -3.685 11.425 1.00 30.62 C ATOM 1058 CZ PHE B 117 19.694 -2.651 11.164 1.00 31.08 C ATOM 1059 H PHE B 117 17.892 -5.352 15.443 1.00 0.00 H ATOM 1060 N ASN B 118 17.398 -3.955 18.182 1.00 26.27 N ATOM 1061 CA ASN B 118 16.780 -3.684 19.480 1.00 22.06 C ATOM 1062 C ASN B 118 17.738 -3.015 20.460 1.00 24.34 C ATOM 1063 O ASN B 118 18.949 -3.247 20.438 1.00 24.98 O ATOM 1064 CB ASN B 118 16.262 -4.969 20.139 1.00 22.90 C ATOM 1065 CG ASN B 118 14.929 -5.422 19.581 1.00 24.62 C ATOM 1066 OD1 ASN B 118 13.866 -5.006 20.056 1.00 28.34 O ATOM 1067 ND2 ASN B 118 14.974 -6.294 18.578 1.00 30.21 N ATOM 1068 HD22 ASN B 118 15.892 -6.616 18.210 1.00 0.00 H ATOM 1069 HD21 ASN B 118 14.091 -6.653 18.161 1.00 0.00 H ATOM 1070 H ASN B 118 17.533 -4.940 17.876 1.00 0.00 H ATOM 1071 N HIS B 119 17.181 -2.187 21.331 1.00 25.88 N ATOM 1072 CA HIS B 119 17.932 -1.727 22.487 1.00 26.90 C ATOM 1073 C HIS B 119 18.498 -2.940 23.217 1.00 24.62 C ATOM 1074 O HIS B 119 17.822 -3.953 23.365 1.00 24.87 O ATOM 1075 CB HIS B 119 17.032 -0.930 23.421 1.00 24.48 C ATOM 1076 CG HIS B 119 17.786 -0.181 24.470 1.00 24.77 C ATOM 1077 ND1 HIS B 119 18.370 -0.803 25.551 1.00 24.50 N ATOM 1078 CD2 HIS B 119 18.065 1.137 24.596 1.00 23.83 C ATOM 1079 CE1 HIS B 119 18.974 0.101 26.300 1.00 28.21 C ATOM 1080 NE2 HIS B 119 18.807 1.286 25.739 1.00 25.36 N ATOM 1081 H HIS B 119 16.203 -1.865 21.187 1.00 0.00 H ATOM 1082 N PRO B 120 19.755 -2.855 23.658 1.00 26.76 N ATOM 1083 CA PRO B 120 20.369 -4.011 24.320 1.00 36.31 C ATOM 1084 C PRO B 120 19.614 -4.462 25.570 1.00 33.50 C ATOM 1085 O PRO B 120 19.732 -5.622 25.954 1.00 29.95 O ATOM 1086 CB PRO B 120 21.757 -3.495 24.698 1.00 37.73 C ATOM 1087 CG PRO B 120 22.036 -2.427 23.703 1.00 40.73 C ATOM 1088 CD PRO B 120 20.712 -1.757 23.467 1.00 32.88 C ATOM 1089 N LEU B 121 18.843 -3.567 26.183 1.00 27.11 N ATOM 1090 CA LEU B 121 18.059 -3.927 27.362 1.00 25.50 C ATOM 1091 C LEU B 121 16.600 -4.199 27.037 1.00 24.38 C ATOM 1092 O LEU B 121 15.805 -4.453 27.939 1.00 19.94 O ATOM 1093 CB LEU B 121 18.165 -2.844 28.443 1.00 24.16 C ATOM 1094 CG LEU B 121 19.585 -2.667 28.973 1.00 27.09 C ATOM 1095 CD1 LEU B 121 19.620 -1.622 30.080 1.00 29.45 C ATOM 1096 CD2 LEU B 121 20.141 -3.982 29.456 1.00 28.46 C ATOM 1097 H LEU B 121 18.798 -2.595 25.816 1.00 0.00 H ATOM 1098 N ALA B 122 16.241 -4.166 25.751 1.00 22.95 N ATOM 1099 CA ALA B 122 14.872 -4.510 25.369 1.00 25.29 C ATOM 1100 C ALA B 122 14.558 -5.924 25.855 1.00 24.19 C ATOM 1101 O ALA B 122 15.393 -6.821 25.754 1.00 27.67 O ATOM 1102 CB ALA B 122 14.680 -4.403 23.851 1.00 25.45 C ATOM 1103 H ALA B 122 16.933 -3.896 25.023 1.00 0.00 H ATOM 1104 N GLY B 123 13.369 -6.120 26.414 1.00 18.99 N ATOM 1105 CA GLY B 123 12.993 -7.443 26.892 1.00 24.57 C ATOM 1106 C GLY B 123 13.634 -7.881 28.203 1.00 29.06 C ATOM 1107 O GLY B 123 13.572 -9.051 28.572 1.00 31.01 O ATOM 1108 H GLY B 123 12.704 -5.326 26.511 1.00 0.00 H ATOM 1109 N LYS B 124 14.252 -6.947 28.915 1.00 23.92 N ATOM 1110 CA LYS B 124 14.805 -7.245 30.233 1.00 20.85 C ATOM 1111 C LYS B 124 14.106 -6.436 31.321 1.00 25.33 C ATOM 1112 O LYS B 124 13.787 -5.262 31.117 1.00 23.25 O ATOM 1113 CB LYS B 124 16.301 -6.950 30.250 1.00 24.15 C ATOM 1114 CG LYS B 124 17.068 -7.720 29.182 1.00 30.48 C ATOM 1115 CD LYS B 124 18.564 -7.570 29.351 1.00 39.74 C ATOM 1116 CE LYS B 124 19.306 -8.217 28.191 1.00 38.32 C ATOM 1117 NZ LYS B 124 19.099 -9.689 28.167 1.00 44.69 N ATOM 1118 HZ1 LYS B 124 19.450 -10.102 29.055 1.00 0.00 H ATOM 1119 HZ2 LYS B 124 18.084 -9.894 28.065 1.00 0.00 H ATOM 1120 HZ3 LYS B 124 19.618 -10.098 27.364 1.00 0.00 H ATOM 1121 H LYS B 124 14.344 -5.986 28.527 1.00 0.00 H ATOM 1122 N ASP B 125 13.862 -7.065 32.468 1.00 23.34 N ATOM 1123 CA ASP B 125 13.310 -6.370 33.627 1.00 22.08 C ATOM 1124 C ASP B 125 14.448 -5.678 34.372 1.00 24.79 C ATOM 1125 O ASP B 125 15.535 -6.255 34.522 1.00 24.19 O ATOM 1126 CB ASP B 125 12.597 -7.353 34.551 1.00 26.55 C ATOM 1127 CG ASP B 125 11.456 -8.070 33.862 1.00 32.99 C ATOM 1128 OD1 ASP B 125 10.881 -7.492 32.913 1.00 33.23 O ATOM 1129 OD2 ASP B 125 11.138 -9.208 34.264 1.00 34.01 O ATOM 1130 H ASP B 125 14.071 -8.081 32.541 1.00 0.00 H ATOM 1131 N LEU B 126 14.205 -4.457 34.838 1.00 20.37 N ATOM 1132 CA LEU B 126 15.264 -3.661 35.469 1.00 20.01 C ATOM 1133 C LEU B 126 14.995 -3.438 36.954 1.00 24.88 C ATOM 1134 O LEU B 126 13.842 -3.379 37.393 1.00 23.55 O ATOM 1135 CB LEU B 126 15.394 -2.296 34.776 1.00 19.50 C ATOM 1136 CG LEU B 126 15.471 -2.251 33.249 1.00 25.68 C ATOM 1137 CD1 LEU B 126 15.763 -0.838 32.766 1.00 24.01 C ATOM 1138 CD2 LEU B 126 16.505 -3.212 32.701 1.00 22.64 C ATOM 1139 H LEU B 126 13.248 -4.059 34.754 1.00 0.00 H ATOM 1140 N ASP B 127 16.062 -3.305 37.736 1.00 21.55 N ATOM 1141 CA ASP B 127 15.901 -2.937 39.133 1.00 18.88 C ATOM 1142 C ASP B 127 16.759 -1.720 39.422 1.00 26.62 C ATOM 1143 O ASP B 127 17.940 -1.707 39.100 1.00 25.60 O ATOM 1144 CB ASP B 127 16.291 -4.092 40.038 1.00 25.45 C ATOM 1145 CG ASP B 127 15.286 -5.219 39.982 1.00 34.21 C ATOM 1146 OD1 ASP B 127 14.176 -5.034 40.517 1.00 33.61 O ATOM 1147 OD2 ASP B 127 15.602 -6.272 39.392 1.00 37.89 O ATOM 1148 H ASP B 127 17.013 -3.465 37.348 1.00 0.00 H ATOM 1149 N PHE B 128 16.150 -0.695 40.007 1.00 25.56 N ATOM 1150 CA PHE B 128 16.858 0.538 40.309 1.00 20.24 C ATOM 1151 C PHE B 128 16.902 0.790 41.798 1.00 22.55 C ATOM 1152 O PHE B 128 15.931 0.548 42.527 1.00 24.88 O ATOM 1153 CB PHE B 128 16.160 1.740 39.661 1.00 18.30 C ATOM 1154 CG PHE B 128 16.320 1.818 38.185 1.00 20.02 C ATOM 1155 CD1 PHE B 128 17.419 2.451 37.628 1.00 23.28 C ATOM 1156 CD2 PHE B 128 15.352 1.282 37.342 1.00 23.72 C ATOM 1157 CE1 PHE B 128 17.565 2.535 36.263 1.00 20.12 C ATOM 1158 CE2 PHE B 128 15.492 1.369 35.971 1.00 23.76 C ATOM 1159 CZ PHE B 128 16.603 1.992 35.429 1.00 20.26 C ATOM 1160 H PHE B 128 15.143 -0.776 40.255 1.00 0.00 H ATOM 1161 N GLN B 129 18.047 1.277 42.246 1.00 22.97 N ATOM 1162 CA GLN B 129 18.148 1.940 43.527 1.00 24.83 C ATOM 1163 C GLN B 129 18.286 3.407 43.144 1.00 25.94 C ATOM 1164 O GLN B 129 19.076 3.736 42.267 1.00 27.18 O ATOM 1165 CB GLN B 129 19.399 1.461 44.263 1.00 30.40 C ATOM 1166 CG GLN B 129 19.473 1.910 45.700 1.00 53.93 C ATOM 1167 CD GLN B 129 18.653 1.033 46.617 1.00 73.23 C ATOM 1168 OE1 GLN B 129 18.743 -0.195 46.564 1.00 80.16 O ATOM 1169 NE2 GLN B 129 17.845 1.657 47.467 1.00 76.63 N ATOM 1170 HE22 GLN B 129 17.802 2.696 47.476 1.00 0.00 H ATOM 1171 HE21 GLN B 129 17.255 1.106 48.123 1.00 0.00 H ATOM 1172 H GLN B 129 18.900 1.180 41.659 1.00 0.00 H ATOM 1173 N VAL B 130 17.490 4.278 43.754 1.00 22.63 N ATOM 1174 CA VAL B 130 17.421 5.667 43.322 1.00 23.86 C ATOM 1175 C VAL B 130 17.501 6.614 44.513 1.00 27.98 C ATOM 1176 O VAL B 130 16.960 6.330 45.575 1.00 26.46 O ATOM 1177 CB VAL B 130 16.096 5.941 42.561 1.00 24.86 C ATOM 1178 CG1 VAL B 130 16.017 7.393 42.077 1.00 27.00 C ATOM 1179 CG2 VAL B 130 15.920 4.975 41.388 1.00 24.22 C ATOM 1180 H VAL B 130 16.906 3.962 44.554 1.00 0.00 H ATOM 1181 N GLU B 131 18.191 7.734 44.334 1.00 23.99 N ATOM 1182 CA GLU B 131 18.121 8.815 45.295 1.00 30.64 C ATOM 1183 C GLU B 131 17.806 10.104 44.545 1.00 29.39 C ATOM 1184 O GLU B 131 18.458 10.419 43.546 1.00 26.37 O ATOM 1185 CB GLU B 131 19.436 8.960 46.051 1.00 34.85 C ATOM 1186 CG GLU B 131 19.414 10.103 47.056 1.00 41.11 C ATOM 1187 CD GLU B 131 20.681 10.182 47.876 1.00 57.49 C ATOM 1188 OE1 GLU B 131 21.620 9.403 47.596 1.00 64.80 O ATOM 1189 OE2 GLU B 131 20.733 11.021 48.799 1.00 64.20 O ATOM 1190 H GLU B 131 18.791 7.837 43.491 1.00 0.00 H ATOM 1191 N VAL B 132 16.807 10.843 45.013 1.00 28.71 N ATOM 1192 CA VAL B 132 16.481 12.116 44.386 1.00 24.99 C ATOM 1193 C VAL B 132 17.400 13.189 44.946 1.00 26.28 C ATOM 1194 O VAL B 132 17.305 13.544 46.115 1.00 34.18 O ATOM 1195 CB VAL B 132 15.018 12.510 44.609 1.00 30.79 C ATOM 1196 CG1 VAL B 132 14.709 13.817 43.872 1.00 29.80 C ATOM 1197 CG2 VAL B 132 14.106 11.392 44.134 1.00 26.86 C ATOM 1198 H VAL B 132 16.256 10.511 45.830 1.00 0.00 H ATOM 1199 N VAL B 133 18.310 13.671 44.108 1.00 29.04 N ATOM 1200 CA VAL B 133 19.329 14.622 44.540 1.00 28.34 C ATOM 1201 C VAL B 133 18.824 16.068 44.498 1.00 33.08 C ATOM 1202 O VAL B 133 19.073 16.854 45.419 1.00 32.50 O ATOM 1203 CB VAL B 133 20.616 14.473 43.693 1.00 28.91 C ATOM 1204 CG1 VAL B 133 21.619 15.541 44.044 1.00 39.02 C ATOM 1205 CG2 VAL B 133 21.236 13.101 43.901 1.00 37.35 C ATOM 1206 H VAL B 133 18.296 13.362 43.115 1.00 0.00 H ATOM 1207 N LYS B 134 18.099 16.419 43.442 1.00 26.81 N ATOM 1208 CA LYS B 134 17.649 17.798 43.275 1.00 26.77 C ATOM 1209 C LYS B 134 16.394 17.865 42.421 1.00 28.60 C ATOM 1210 O LYS B 134 16.238 17.093 41.480 1.00 32.51 O ATOM 1211 CB LYS B 134 18.763 18.634 42.640 1.00 33.74 C ATOM 1212 CG LYS B 134 18.412 20.102 42.408 1.00 41.28 C ATOM 1213 CD LYS B 134 19.633 20.976 42.619 1.00 50.93 C ATOM 1214 CE LYS B 134 19.319 22.457 42.440 1.00 61.68 C ATOM 1215 NZ LYS B 134 19.280 22.844 41.003 1.00 63.82 N ATOM 1216 HZ1 LYS B 134 20.205 22.651 40.568 1.00 0.00 H ATOM 1217 HZ2 LYS B 134 18.545 22.293 40.517 1.00 0.00 H ATOM 1218 HZ3 LYS B 134 19.064 23.858 40.924 1.00 0.00 H ATOM 1219 H LYS B 134 17.850 15.705 42.728 1.00 0.00 H ATOM 1220 N VAL B 135 15.485 18.766 42.784 1.00 28.67 N ATOM 1221 CA VAL B 135 14.302 19.043 41.974 1.00 26.74 C ATOM 1222 C VAL B 135 14.207 20.550 41.820 1.00 28.37 C ATOM 1223 O VAL B 135 14.274 21.293 42.808 1.00 29.49 O ATOM 1224 CB VAL B 135 13.006 18.536 42.637 1.00 26.42 C ATOM 1225 CG1 VAL B 135 11.811 18.767 41.724 1.00 24.45 C ATOM 1226 CG2 VAL B 135 13.124 17.081 42.999 1.00 28.03 C ATOM 1227 H VAL B 135 15.621 19.289 43.672 1.00 0.00 H ATOM 1228 N ARG B 136 14.081 21.009 40.582 1.00 25.93 N ATOM 1229 CA ARG B 136 13.916 22.433 40.318 1.00 27.74 C ATOM 1230 C ARG B 136 12.912 22.632 39.193 1.00 27.29 C ATOM 1231 O ARG B 136 12.542 21.681 38.508 1.00 29.59 O ATOM 1232 CB ARG B 136 15.251 23.087 39.939 1.00 34.28 C ATOM 1233 CG ARG B 136 15.857 22.595 38.623 1.00 30.39 C ATOM 1234 CD ARG B 136 17.022 23.488 38.179 1.00 33.14 C ATOM 1235 NE ARG B 136 17.755 22.948 37.031 1.00 29.26 N ATOM 1236 CZ ARG B 136 17.374 23.083 35.761 1.00 33.59 C ATOM 1237 NH1 ARG B 136 16.246 23.723 35.460 1.00 28.00 N ATOM 1238 NH2 ARG B 136 18.106 22.552 34.785 1.00 27.80 N ATOM 1239 HE ARG B 136 18.633 22.423 37.220 1.00 0.00 H ATOM 1240 HH12 ARG B 136 15.955 23.825 34.467 1.00 0.00 H ATOM 1241 HH11 ARG B 136 15.656 24.121 36.218 1.00 0.00 H ATOM 1242 HH22 ARG B 136 17.807 22.658 33.794 1.00 0.00 H ATOM 1243 HH21 ARG B 136 18.977 22.031 35.013 1.00 0.00 H ATOM 1244 H ARG B 136 14.100 20.341 39.785 1.00 0.00 H ATOM 1245 N GLU B 137 12.461 23.869 39.012 1.00 27.22 N ATOM 1246 CA GLU B 137 11.600 24.178 37.877 1.00 29.98 C ATOM 1247 C GLU B 137 12.411 24.210 36.586 1.00 27.79 C ATOM 1248 O GLU B 137 13.561 24.652 36.582 1.00 31.68 O ATOM 1249 CB GLU B 137 10.893 25.522 38.083 1.00 34.12 C ATOM 1250 CG GLU B 137 9.822 25.512 39.174 1.00 38.93 C ATOM 1251 CD GLU B 137 8.562 24.756 38.763 1.00 49.21 C ATOM 1252 OE1 GLU B 137 8.461 24.348 37.585 1.00 55.32 O ATOM 1253 OE2 GLU B 137 7.670 24.573 39.621 1.00 52.77 O ATOM 1254 H GLU B 137 12.723 24.619 39.683 1.00 0.00 H ATOM 1255 N ALA B 138 11.815 23.737 35.493 1.00 29.21 N ATOM 1256 CA ALA B 138 12.425 23.888 34.177 1.00 30.27 C ATOM 1257 C ALA B 138 12.458 25.358 33.775 1.00 33.15 C ATOM 1258 O ALA B 138 11.566 26.138 34.132 1.00 30.29 O ATOM 1259 CB ALA B 138 11.658 23.082 33.138 1.00 26.43 C ATOM 1260 H ALA B 138 10.899 23.252 35.579 1.00 0.00 H ATOM 1261 N THR B 139 13.484 25.747 33.028 1.00 28.70 N ATOM 1262 CA THR B 139 13.489 27.081 32.438 1.00 30.31 C ATOM 1263 C THR B 139 12.604 27.031 31.189 1.00 30.52 C ATOM 1264 O THR B 139 12.357 25.953 30.649 1.00 29.43 O ATOM 1265 CB THR B 139 14.904 27.517 32.026 1.00 36.77 C ATOM 1266 OG1 THR B 139 15.411 26.615 31.036 1.00 30.36 O ATOM 1267 CG2 THR B 139 15.838 27.539 33.235 1.00 31.90 C ATOM 1268 HG1 THR B 139 16.322 26.896 30.771 1.00 0.00 H ATOM 1269 H THR B 139 14.283 25.102 32.864 1.00 0.00 H ATOM 1270 N PRO B 140 12.116 28.190 30.732 1.00 32.04 N ATOM 1271 CA PRO B 140 11.384 28.215 29.460 1.00 32.56 C ATOM 1272 C PRO B 140 12.168 27.567 28.311 1.00 34.35 C ATOM 1273 O PRO B 140 11.580 26.856 27.495 1.00 33.19 O ATOM 1274 CB PRO B 140 11.196 29.712 29.200 1.00 34.60 C ATOM 1275 CG PRO B 140 11.138 30.320 30.576 1.00 34.83 C ATOM 1276 CD PRO B 140 12.067 29.485 31.436 1.00 33.45 C ATOM 1277 N GLU B 141 13.474 27.809 28.246 1.00 35.81 N ATOM 1278 CA GLU B 141 14.288 27.226 27.185 1.00 32.57 C ATOM 1279 C GLU B 141 14.270 25.704 27.240 1.00 31.14 C ATOM 1280 O GLU B 141 14.214 25.034 26.206 1.00 31.66 O ATOM 1281 CB GLU B 141 15.723 27.759 27.236 1.00 44.32 C ATOM 1282 CG GLU B 141 16.642 27.114 26.215 1.00 46.87 C ATOM 1283 CD GLU B 141 17.969 27.838 26.064 1.00 60.94 C ATOM 1284 OE1 GLU B 141 18.143 28.917 26.678 1.00 60.36 O ATOM 1285 OE2 GLU B 141 18.838 27.323 25.327 1.00 62.48 O ATOM 1286 H GLU B 141 13.920 28.421 28.959 1.00 0.00 H ATOM 1287 N GLU B 142 14.291 25.160 28.452 1.00 29.45 N ATOM 1288 CA GLU B 142 14.236 23.715 28.639 1.00 28.89 C ATOM 1289 C GLU B 142 12.891 23.152 28.186 1.00 30.50 C ATOM 1290 O GLU B 142 12.828 22.080 27.583 1.00 26.46 O ATOM 1291 CB GLU B 142 14.524 23.341 30.095 1.00 26.87 C ATOM 1292 CG GLU B 142 16.010 23.392 30.432 1.00 27.76 C ATOM 1293 CD GLU B 142 16.290 23.260 31.924 1.00 38.12 C ATOM 1294 OE1 GLU B 142 15.498 23.796 32.733 1.00 35.05 O ATOM 1295 OE2 GLU B 142 17.306 22.620 32.282 1.00 35.01 O ATOM 1296 H GLU B 142 14.348 25.779 29.286 1.00 0.00 H ATOM 1297 N LEU B 143 11.817 23.888 28.450 1.00 29.26 N ATOM 1298 CA LEU B 143 10.504 23.454 27.986 1.00 27.84 C ATOM 1299 C LEU B 143 10.407 23.521 26.455 1.00 36.91 C ATOM 1300 O LEU B 143 9.800 22.650 25.829 1.00 30.12 O ATOM 1301 CB LEU B 143 9.393 24.272 28.650 1.00 30.81 C ATOM 1302 CG LEU B 143 9.301 24.124 30.168 1.00 27.91 C ATOM 1303 CD1 LEU B 143 8.210 25.041 30.736 1.00 32.50 C ATOM 1304 CD2 LEU B 143 9.054 22.679 30.555 1.00 26.42 C ATOM 1305 H LEU B 143 11.912 24.773 28.987 1.00 0.00 H ATOM 1306 N LEU B 144 11.007 24.550 25.857 1.00 30.08 N ATOM 1307 CA LEU B 144 11.037 24.674 24.398 1.00 32.68 C ATOM 1308 C LEU B 144 11.863 23.568 23.745 1.00 32.68 C ATOM 1309 O LEU B 144 11.483 23.036 22.706 1.00 33.29 O ATOM 1310 CB LEU B 144 11.584 26.033 23.960 1.00 33.08 C ATOM 1311 CG LEU B 144 10.681 27.252 24.110 1.00 34.54 C ATOM 1312 CD1 LEU B 144 11.387 28.502 23.599 1.00 37.51 C ATOM 1313 CD2 LEU B 144 9.373 27.037 23.366 1.00 35.00 C ATOM 1314 H LEU B 144 11.464 25.281 26.439 1.00 0.00 H ATOM 1315 N HIS B 145 12.999 23.237 24.349 1.00 29.53 N ATOM 1316 CA HIS B 145 13.875 22.194 23.813 1.00 35.22 C ATOM 1317 C HIS B 145 13.397 20.786 24.134 1.00 32.41 C ATOM 1318 O HIS B 145 13.705 19.839 23.415 1.00 31.46 O ATOM 1319 CB HIS B 145 15.306 22.368 24.325 1.00 33.05 C ATOM 1320 CG HIS B 145 15.987 23.586 23.786 1.00 40.73 C ATOM 1321 ND1 HIS B 145 17.235 23.991 24.210 1.00 52.26 N ATOM 1322 CD2 HIS B 145 15.589 24.493 22.865 1.00 45.43 C ATOM 1323 CE1 HIS B 145 17.577 25.093 23.568 1.00 48.45 C ATOM 1324 NE2 HIS B 145 16.595 25.419 22.746 1.00 47.99 N ATOM 1325 H HIS B 145 13.272 23.730 25.223 1.00 0.00 H ATOM 1326 N GLY B 146 12.659 20.657 25.227 1.00 26.30 N ATOM 1327 CA GLY B 146 12.083 19.385 25.619 1.00 25.33 C ATOM 1328 C GLY B 146 13.028 18.509 26.418 1.00 25.76 C ATOM 1329 O GLY B 146 12.793 17.315 26.571 1.00 26.26 O ATOM 1330 H GLY B 146 12.488 21.493 25.822 1.00 0.00 H ATOM 1331 N HIS B 147 14.105 19.102 26.928 1.00 27.12 N ATOM 1332 CA HIS B 147 15.117 18.367 27.684 1.00 26.23 C ATOM 1333 C HIS B 147 15.801 19.282 28.698 1.00 23.58 C ATOM 1334 O HIS B 147 15.872 20.491 28.493 1.00 28.46 O ATOM 1335 CB HIS B 147 16.201 17.814 26.754 1.00 25.72 C ATOM 1336 CG HIS B 147 15.672 17.069 25.570 1.00 23.04 C ATOM 1337 ND1 HIS B 147 15.360 15.727 25.613 1.00 27.74 N ATOM 1338 CD2 HIS B 147 15.407 17.477 24.307 1.00 24.07 C ATOM 1339 CE1 HIS B 147 14.918 15.342 24.428 1.00 22.32 C ATOM 1340 NE2 HIS B 147 14.934 16.386 23.619 1.00 23.55 N ATOM 1341 H HIS B 147 14.231 20.124 26.783 1.00 0.00 H ATOM 1342 N ALA B 148 16.342 18.693 29.756 1.00 26.49 N ATOM 1343 CA ALA B 148 17.120 19.439 30.735 1.00 27.61 C ATOM 1344 C ALA B 148 18.375 19.953 30.049 1.00 32.93 C ATOM 1345 O ALA B 148 18.899 19.303 29.144 1.00 29.73 O ATOM 1346 CB ALA B 148 17.477 18.550 31.911 1.00 29.72 C ATOM 1347 H ALA B 148 16.207 17.671 29.890 1.00 0.00 H ATOM 1348 N HIS B 149 18.839 21.124 30.474 1.00 30.98 N ATOM 1349 CA HIS B 149 20.004 21.769 29.874 1.00 44.06 C ATOM 1350 C HIS B 149 21.233 20.871 29.909 1.00 46.78 C ATOM 1351 O HIS B 149 21.725 20.529 30.981 1.00 52.66 O ATOM 1352 CB HIS B 149 20.303 23.083 30.598 1.00 48.92 C ATOM 1353 CG HIS B 149 21.462 23.839 30.028 1.00 64.28 C ATOM 1354 ND1 HIS B 149 21.474 24.320 28.736 1.00 72.71 N ATOM 1355 CD2 HIS B 149 22.645 24.204 30.577 1.00 70.01 C ATOM 1356 CE1 HIS B 149 22.615 24.947 28.513 1.00 75.99 C ATOM 1357 NE2 HIS B 149 23.344 24.892 29.613 1.00 71.40 N ATOM 1358 H HIS B 149 18.355 21.598 31.263 1.00 0.00 H TER 1359 HIS B 149 HETATM 1360 O HOH 1 10.397 12.869 30.999 1.00 24.21 O HETATM 1361 O HOH 2 14.127 -3.005 29.475 1.00 25.62 O HETATM 1362 O HOH 3 6.784 11.576 30.296 1.00 23.79 O HETATM 1363 O HOH 4 7.486 21.674 26.658 1.00 33.46 O HETATM 1364 O HOH 5 10.691 -9.332 25.197 1.00 26.33 O HETATM 1365 O HOH 6 8.503 8.461 30.119 1.00 26.73 O HETATM 1366 O HOH 7 9.363 -8.559 27.602 1.00 31.37 O HETATM 1367 O HOH 8 16.123 -10.655 7.850 1.00 29.74 O HETATM 1368 O HOH 9 17.623 19.111 39.125 1.00 26.08 O HETATM 1369 O HOH 10 28.477 -10.687 1.771 1.00 41.45 O HETATM 1370 O HOH 11 9.180 -9.888 23.076 1.00 29.34 O HETATM 1371 O HOH 12 16.482 -7.888 36.330 1.00 35.38 O HETATM 1372 O HOH 13 5.479 22.303 29.291 1.00 31.53 O HETATM 1373 O HOH 14 4.690 9.939 29.153 1.00 26.30 O HETATM 1374 O HOH 15 21.026 -4.820 19.782 1.00 36.54 O HETATM 1375 O HOH 16 23.635 -15.398 10.597 1.00 33.84 O HETATM 1376 O HOH 17 7.284 2.175 38.411 1.00 34.08 O HETATM 1377 O HOH 18 18.352 -7.681 39.681 1.00 35.24 O HETATM 1378 O HOH 19 19.686 -1.596 41.730 1.00 33.79 O HETATM 1379 O HOH 20 18.683 0.439 16.531 1.00 33.44 O HETATM 1380 O HOH 21 11.142 13.596 24.652 1.00 36.50 O HETATM 1381 O HOH 22 23.177 -10.458 42.755 1.00 38.68 O HETATM 1382 O HOH 23 8.596 -8.344 32.067 1.00 30.18 O HETATM 1383 O HOH 24 8.993 17.941 25.195 1.00 28.61 O HETATM 1384 O HOH 25 9.019 -1.305 42.369 1.00 44.35 O HETATM 1385 O HOH 26 14.286 -1.850 21.117 1.00 43.33 O HETATM 1386 O HOH 27 17.563 -11.195 5.558 1.00 34.04 O HETATM 1387 O HOH 28 6.656 22.417 37.300 1.00 37.16 O HETATM 1388 O HOH 29 3.192 15.787 37.799 1.00 39.86 O HETATM 1389 O HOH 30 22.534 4.121 44.289 1.00 43.92 O HETATM 1390 O HOH 31 11.118 16.160 24.784 1.00 31.22 O HETATM 1391 O HOH 32 20.871 5.516 44.533 1.00 39.80 O HETATM 1392 O HOH 33 15.125 -9.753 32.760 1.00 30.58 O HETATM 1393 O HOH 34 5.002 6.949 24.512 1.00 33.30 O HETATM 1394 O HOH 35 5.721 24.907 33.525 1.00 38.02 O HETATM 1395 O HOH 36 19.650 3.937 26.409 1.00 40.70 O HETATM 1396 O HOH 37 31.672 0.117 15.030 1.00 49.37 O HETATM 1397 O HOH 38 27.528 1.547 44.667 1.00 38.94 O HETATM 1398 O HOH 39 14.648 26.856 37.504 1.00 37.12 O HETATM 1399 O HOH 40 15.939 11.505 26.854 1.00 46.50 O HETATM 1400 O HOH 41 17.951 26.813 30.016 1.00 40.33 O HETATM 1401 O HOH 42 2.730 21.751 31.717 1.00 40.96 O HETATM 1402 O HOH 43 11.567 1.525 47.880 1.00 44.77 O HETATM 1403 O HOH 44 15.480 -2.441 43.340 1.00 52.60 O HETATM 1404 O HOH 45 23.193 15.624 36.094 1.00 45.26 O HETATM 1405 O HOH 46 18.913 -15.047 11.838 1.00 44.53 O HETATM 1406 O HOH 47 17.570 22.323 27.111 1.00 39.96 O HETATM 1407 O HOH 48 13.130 26.054 40.839 1.00 37.83 O HETATM 1408 O HOH 49 8.858 1.559 27.443 1.00 50.97 O HETATM 1409 O HOH 50 15.145 8.870 13.556 1.00 56.45 O HETATM 1410 O HOH 51 7.301 6.583 26.266 1.00 47.82 O HETATM 1411 O HOH 52 4.160 16.046 42.111 1.00 48.39 O HETATM 1412 O HOH 53 5.599 8.336 32.767 1.00 41.37 O HETATM 1413 O HOH 54 13.219 -12.272 14.936 1.00 40.64 O HETATM 1414 O HOH 55 31.947 -8.404 21.028 1.00 38.43 O HETATM 1415 O HOH 56 8.808 25.216 34.563 1.00 40.80 O HETATM 1416 O HOH 57 21.147 -6.897 21.434 1.00 47.01 O HETATM 1417 O HOH 58 34.075 -4.500 15.512 1.00 46.99 O HETATM 1418 O HOH 59 20.030 -19.033 3.121 1.00 50.69 O HETATM 1419 O HOH 60 9.294 1.991 43.797 1.00 52.38 O HETATM 1420 O HOH 61 11.332 -11.048 20.212 1.00 41.90 O HETATM 1421 O HOH 62 30.777 -3.925 0.637 1.00 52.47 O HETATM 1422 O HOH 63 7.990 -9.809 29.647 1.00 36.59 O HETATM 1423 O HOH 64 13.016 -10.840 25.861 1.00 32.68 O HETATM 1424 O HOH 65 4.693 19.983 38.816 1.00 45.21 O HETATM 1425 O HOH 66 7.594 -0.271 37.226 1.00 40.48 O HETATM 1426 O HOH 67 9.163 7.437 24.076 1.00 44.19 O HETATM 1427 O HOH 68 5.249 -1.987 37.446 1.00 43.40 O HETATM 1428 O HOH 69 25.354 15.441 43.340 1.00 57.85 O HETATM 1429 O HOH 70 22.935 -8.927 33.643 1.00 43.20 O HETATM 1430 O HOH 71 14.744 -12.568 9.289 1.00 46.24 O HETATM 1431 O HOH 72 11.778 -2.341 22.855 1.00 46.75 O HETATM 1432 O HOH 73 18.956 -10.990 19.226 1.00 50.49 O HETATM 1433 O HOH 74 11.063 -13.378 19.524 1.00 47.35 O HETATM 1434 O HOH 75 7.504 25.521 42.512 1.00 66.42 O HETATM 1435 O HOH 76 17.690 -6.505 22.793 1.00 40.75 O HETATM 1436 O HOH 77 6.651 -9.192 23.043 1.00 40.37 O HETATM 1437 O HOH 78 27.079 9.939 42.406 1.00 57.69 O HETATM 1438 O HOH 79 18.646 -8.903 23.616 1.00 45.07 O HETATM 1439 O HOH 80 6.184 7.631 43.536 1.00 49.95 O HETATM 1440 O HOH 81 16.424 -9.396 25.743 1.00 48.50 O HETATM 1441 O HOH 82 10.978 23.861 20.345 1.00 47.44 O HETATM 1442 O HOH 83 7.114 -6.932 27.802 1.00 49.79 O HETATM 1443 O HOH 84 13.063 -10.857 11.372 1.00 46.56 O HETATM 1444 O HOH 85 25.262 -11.455 44.195 1.00 41.62 O HETATM 1445 O HOH 86 9.038 -8.272 36.014 1.00 40.08 O HETATM 1446 O HOH 87 17.534 29.583 29.645 1.00 39.80 O HETATM 1447 O HOH 88 25.007 -10.311 20.425 1.00 50.41 O HETATM 1448 O HOH 89 5.384 -9.639 29.228 1.00 53.45 O HETATM 1449 O HOH 90 15.371 23.600 43.695 1.00 50.88 O HETATM 1450 O HOH 91 18.226 24.779 27.732 1.00 55.15 O HETATM 1451 O HOH 92 28.192 -16.521 15.265 1.00 46.46 O HETATM 1452 O HOH 93 10.832 9.583 24.207 1.00 40.77 O HETATM 1453 O HOH 94 5.805 22.929 42.139 1.00 57.36 O HETATM 1454 O HOH 95 13.922 8.059 51.892 1.00 50.52 O HETATM 1455 O HOH 96 6.983 12.777 48.588 1.00 49.95 O HETATM 1456 O HOH 97 28.700 0.407 38.521 1.00 35.16 O HETATM 1457 O HOH 98 19.599 20.807 37.807 1.00 43.49 O HETATM 1458 O HOH 99 9.386 -11.178 33.872 1.00 50.77 O HETATM 1459 O HOH 100 6.904 23.704 43.950 1.00 56.81 O HETATM 1460 O HOH 101 13.177 -7.177 6.612 1.00 39.17 O HETATM 1461 O HOH 102 25.036 5.097 42.661 1.00 44.64 O HETATM 1462 O HOH 103 31.468 -18.354 9.335 1.00 52.66 O HETATM 1463 O HOH 104 21.697 -1.238 43.504 1.00 49.05 O HETATM 1464 O HOH 105 5.880 9.151 45.609 1.00 53.75 O HETATM 1465 O HOH 106 11.146 27.424 42.263 1.00 54.92 O HETATM 1466 O HOH 107 23.327 8.307 32.450 1.00 50.97 O HETATM 1467 O HOH 108 16.577 -13.386 11.613 1.00 57.88 O HETATM 1468 O HOH 109 27.722 -6.197 22.811 1.00 42.03 O HETATM 1469 O HOH 110 21.983 13.844 32.749 1.00 37.83 O HETATM 1470 O HOH 111 7.096 -6.441 30.702 1.00 28.68 O HETATM 1471 O HOH 112 14.957 -11.141 29.593 1.00 31.29 O HETATM 1472 O HOH 113 9.004 4.168 48.445 1.00 57.76 O HETATM 1473 O HOH 114 28.767 -1.904 35.250 1.00 54.68 O HETATM 1474 O HOH 115 20.816 20.507 35.658 1.00 50.55 O HETATM 1475 O HOH 116 7.107 -3.480 41.322 1.00 64.78 O HETATM 1476 O HOH 117 27.426 9.749 36.113 1.00 47.04 O HETATM 1477 O HOH 118 24.378 11.366 32.764 1.00 51.89 O HETATM 1478 O HOH 119 21.560 8.810 30.950 1.00 36.48 O HETATM 1479 O HOH 120 21.788 2.889 23.606 1.00 49.81 O HETATM 1480 O HOH 121 19.521 16.255 28.509 1.00 53.36 O HETATM 1481 O HOH 122 21.901 2.290 6.139 1.00 43.23 O HETATM 1482 O HOH 123 24.343 -0.120 -0.411 1.00 47.25 O HETATM 1483 O HOH 124 23.918 2.275 0.846 1.00 48.93 O HETATM 1484 O HOH 125 23.328 -0.191 -2.603 1.00 43.49 O HETATM 1485 N MET A 126 15.375 7.189 25.253 1.00 0.24 N HETATM 1486 CA MET A 126 15.096 7.601 26.625 1.00 0.07 C HETATM 1487 C MET A 126 16.269 7.316 27.554 1.00 0.23 C HETATM 1488 O MET A 126 17.005 6.358 27.353 1.00 -0.39 O HETATM 1489 N MET A 126 16.428 8.150 28.578 1.00 -0.26 N HETATM 1490 CA MET A 126 17.395 7.889 29.640 1.00 0.13 C HETATM 1491 C MET A 126 16.902 6.793 30.591 1.00 0.21 C HETATM 1492 O MET A 126 15.692 6.572 30.713 1.00 -0.39 O HETATM 1493 N MET A 126 17.831 6.105 31.291 1.00 -0.25 N HETATM 1494 CA MET A 126 19.297 6.245 31.264 1.00 0.13 C HETATM 1495 C MET A 126 19.905 5.844 29.925 1.00 0.20 C HETATM 1496 O MET A 126 19.494 4.839 29.336 1.00 -0.39 O HETATM 1497 N MET A 126 20.871 6.620 29.443 1.00 -0.26 N HETATM 1498 CA MET A 126 21.533 6.263 28.197 1.00 0.14 C HETATM 1499 C MET A 126 22.534 5.141 28.438 1.00 0.21 C HETATM 1500 O MET A 126 23.494 5.298 29.182 1.00 -0.39 O HETATM 1501 N MET A 126 22.261 4.000 27.818 1.00 -0.26 N HETATM 1502 CA MET A 126 23.128 2.834 27.859 1.00 0.13 C HETATM 1503 C MET A 126 23.679 2.651 26.454 1.00 0.20 C HETATM 1504 O MET A 126 22.913 2.453 25.505 1.00 -0.39 O HETATM 1505 N MET A 126 24.999 2.735 26.316 1.00 -0.27 N HETATM 1506 CA MET A 126 25.620 2.715 24.993 1.00 0.10 C HETATM 1507 C MET A 126 25.499 1.362 24.289 1.00 0.06 C HETATM 1508 O MET A 126 25.003 1.297 23.161 1.00 -0.57 O HETATM 1509 OXT MET A 126 25.898 0.338 24.850 1.00 -0.57 O HETATM 1510 CB MET A 126 27.079 3.171 25.069 1.00 0.02 C HETATM 1511 CG MET A 126 27.234 4.629 25.400 1.00 -0.04 C HETATM 1512 CD1 MET A 126 26.950 5.598 24.451 1.00 -0.06 C HETATM 1513 CE1 MET A 126 27.083 6.940 24.747 1.00 -0.07 C HETATM 1514 CZ MET A 126 27.509 7.335 26.001 1.00 -0.07 C HETATM 1515 CE2 MET A 126 27.796 6.378 26.956 1.00 -0.07 C HETATM 1516 CD2 MET A 126 27.661 5.033 26.655 1.00 -0.06 C HETATM 1517 H57 MET A 126 27.892 4.289 27.409 1.00 0.06 H HETATM 1518 H59 MET A 126 28.128 6.681 27.943 1.00 0.06 H HETATM 1519 H60 MET A 126 27.617 8.388 26.234 1.00 0.06 H HETATM 1520 H58 MET A 126 26.853 7.685 23.994 1.00 0.06 H HETATM 1521 H56 MET A 126 26.619 5.298 23.463 1.00 0.06 H HETATM 1522 H54 MET A 126 27.554 2.982 24.095 1.00 0.05 H HETATM 1523 H55 MET A 126 27.588 2.582 25.846 1.00 0.05 H HETATM 1524 H53 MET A 126 25.080 3.446 24.374 1.00 0.07 H HETATM 1525 H52 MET A 126 25.575 2.813 27.130 1.00 0.19 H HETATM 1526 CB MET A 126 22.335 1.577 28.259 1.00 -0.00 C HETATM 1527 CG1 MET A 126 21.908 1.672 29.723 1.00 -0.05 C HETATM 1528 CD1 MET A 126 22.983 2.228 30.625 1.00 -0.06 C HETATM 1529 H49 MET A 126 22.610 2.268 31.659 1.00 0.02 H HETATM 1530 H50 MET A 126 23.253 3.241 30.293 1.00 0.02 H HETATM 1531 H51 MET A 126 23.870 1.579 30.581 1.00 0.02 H HETATM 1532 H44 MET A 126 21.644 0.664 30.076 1.00 0.03 H HETATM 1533 H45 MET A 126 21.026 2.326 29.787 1.00 0.03 H HETATM 1534 CG2 MET A 126 23.149 0.321 28.018 1.00 -0.06 C HETATM 1535 H46 MET A 126 23.445 0.273 26.960 1.00 0.02 H HETATM 1536 H47 MET A 126 22.544 -0.562 28.269 1.00 0.02 H HETATM 1537 H48 MET A 126 24.049 0.341 28.650 1.00 0.02 H HETATM 1538 H43 MET A 126 21.430 1.525 27.636 1.00 0.03 H HETATM 1539 H42 MET A 126 23.947 2.997 28.575 1.00 0.08 H HETATM 1540 H41 MET A 126 21.412 3.939 27.294 1.00 0.19 H HETATM 1541 CB MET A 126 22.196 7.479 27.544 1.00 0.02 C HETATM 1542 CG MET A 126 21.212 8.498 27.043 1.00 -0.04 C HETATM 1543 CD1 MET A 126 19.977 8.099 26.562 1.00 -0.06 C HETATM 1544 CE1 MET A 126 19.058 9.028 26.110 1.00 -0.07 C HETATM 1545 CZ MET A 126 19.371 10.373 26.139 1.00 -0.07 C HETATM 1546 CE2 MET A 126 20.598 10.785 26.619 1.00 -0.07 C HETATM 1547 CD2 MET A 126 21.511 9.849 27.069 1.00 -0.06 C HETATM 1548 H37 MET A 126 22.473 10.177 27.447 1.00 0.06 H HETATM 1549 H39 MET A 126 20.845 11.840 26.643 1.00 0.06 H HETATM 1550 H40 MET A 126 18.654 11.105 25.785 1.00 0.06 H HETATM 1551 H38 MET A 126 18.095 8.702 25.734 1.00 0.06 H HETATM 1552 H36 MET A 126 19.727 7.045 26.539 1.00 0.06 H HETATM 1553 H34 MET A 126 22.801 7.131 26.694 1.00 0.05 H HETATM 1554 H35 MET A 126 22.849 7.961 28.287 1.00 0.05 H HETATM 1555 H33 MET A 126 20.767 5.889 27.502 1.00 0.08 H HETATM 1556 H32 MET A 126 21.142 7.447 29.935 1.00 0.19 H HETATM 1557 CB MET A 126 19.769 5.257 32.342 1.00 -0.01 C HETATM 1558 CG MET A 126 18.588 5.039 33.222 1.00 -0.03 C HETATM 1559 CD MET A 126 17.395 5.140 32.316 1.00 0.04 C HETATM 1560 H30 MET A 126 17.159 4.165 31.865 1.00 0.05 H HETATM 1561 H31 MET A 126 16.516 5.514 32.861 1.00 0.05 H HETATM 1562 H28 MET A 126 18.543 5.810 34.005 1.00 0.03 H HETATM 1563 H29 MET A 126 18.634 4.044 33.689 1.00 0.03 H HETATM 1564 H26 MET A 126 20.604 5.684 32.917 1.00 0.03 H HETATM 1565 H27 MET A 126 20.087 4.309 31.883 1.00 0.03 H HETATM 1566 H25 MET A 126 19.592 7.276 31.508 1.00 0.08 H HETATM 1567 CB MET A 126 17.648 9.177 30.427 1.00 -0.01 C HETATM 1568 CG MET A 126 18.469 10.196 29.674 1.00 -0.04 C HETATM 1569 CD MET A 126 18.626 11.466 30.494 1.00 -0.01 C HETATM 1570 CE MET A 126 19.374 12.526 29.704 1.00 -0.04 C HETATM 1571 NZ MET A 126 19.442 13.821 30.445 1.00 0.22 N HETATM 1572 H22 MET A 126 19.944 14.498 29.892 1.00 0.20 H HETATM 1573 H23 MET A 126 19.920 13.682 31.321 1.00 0.20 H HETATM 1574 H24 MET A 126 18.508 14.157 30.621 1.00 0.20 H HETATM 1575 H20 MET A 126 18.856 12.689 28.747 1.00 0.08 H HETATM 1576 H21 MET A 126 20.397 12.171 29.511 1.00 0.08 H HETATM 1577 H18 MET A 126 19.187 11.236 31.412 1.00 0.03 H HETATM 1578 H19 MET A 126 17.630 11.850 30.760 1.00 0.03 H HETATM 1579 H16 MET A 126 17.965 10.437 28.726 1.00 0.03 H HETATM 1580 H17 MET A 126 19.464 9.776 29.464 1.00 0.03 H HETATM 1581 H14 MET A 126 18.180 8.919 31.354 1.00 0.03 H HETATM 1582 H15 MET A 126 16.676 9.629 30.676 1.00 0.03 H HETATM 1583 H13 MET A 126 18.339 7.558 29.182 1.00 0.08 H HETATM 1584 H12 MET A 126 15.870 8.979 28.622 1.00 0.19 H HETATM 1585 CB MET A 126 13.849 6.895 27.165 1.00 0.02 C HETATM 1586 CG MET A 126 12.542 7.420 26.606 1.00 0.00 C HETATM 1587 SD MET A 126 11.114 6.479 27.184 1.00 -0.16 S HETATM 1588 CE MET A 126 11.540 4.839 26.611 1.00 -0.02 C HETATM 1589 H9 MET A 126 10.745 4.133 26.895 1.00 0.03 H HETATM 1590 H10 MET A 126 12.489 4.526 27.070 1.00 0.03 H HETATM 1591 H11 MET A 126 11.647 4.849 25.516 1.00 0.03 H HETATM 1592 H7 MET A 126 12.580 7.364 25.508 1.00 0.04 H HETATM 1593 H8 MET A 126 12.422 8.469 26.916 1.00 0.04 H HETATM 1594 H5 MET A 126 13.830 7.018 28.258 1.00 0.04 H HETATM 1595 H6 MET A 126 13.924 5.826 26.918 1.00 0.04 H HETATM 1596 H4 MET A 126 14.911 8.685 26.623 1.00 0.11 H HETATM 1597 H1 MET A 126 14.577 7.394 24.672 1.00 0.20 H HETATM 1598 H2 MET A 126 15.561 6.199 25.231 1.00 0.20 H HETATM 1599 H3 MET A 126 16.179 7.690 24.909 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1485 1486 1597 1598 1599 CONECT 1486 1485 1487 1585 1596 CONECT 1487 1486 1488 1489 CONECT 1488 1487 CONECT 1489 1487 1490 1584 CONECT 1490 1489 1491 1567 1583 CONECT 1491 1490 1492 1493 CONECT 1492 1491 CONECT 1493 1491 1494 1559 CONECT 1494 1493 1495 1557 1566 CONECT 1495 1494 1496 1497 CONECT 1496 1495 CONECT 1497 1495 1498 1556 CONECT 1498 1497 1499 1541 1555 CONECT 1499 1498 1500 1501 CONECT 1500 1499 CONECT 1501 1499 1502 1540 CONECT 1502 1501 1503 1526 1539 CONECT 1503 1502 1504 1505 CONECT 1504 1503 CONECT 1505 1503 1506 1525 CONECT 1506 1505 1507 1510 1524 CONECT 1507 1506 1508 1509 CONECT 1508 1507 CONECT 1509 1507 CONECT 1510 1506 1511 1522 1523 CONECT 1511 1510 1512 1516 CONECT 1512 1511 1513 1521 CONECT 1513 1512 1514 1520 CONECT 1514 1513 1515 1519 CONECT 1515 1514 1516 1518 CONECT 1516 1511 1515 1517 CONECT 1517 1516 CONECT 1518 1515 CONECT 1519 1514 CONECT 1520 1513 CONECT 1521 1512 CONECT 1522 1510 CONECT 1523 1510 CONECT 1524 1506 CONECT 1525 1505 CONECT 1526 1502 1527 1534 1538 CONECT 1527 1526 1528 1532 1533 CONECT 1528 1527 1529 1530 1531 CONECT 1529 1528 CONECT 1530 1528 CONECT 1531 1528 CONECT 1532 1527 CONECT 1533 1527 CONECT 1534 1526 1535 1536 1537 CONECT 1535 1534 CONECT 1536 1534 CONECT 1537 1534 CONECT 1538 1526 CONECT 1539 1502 CONECT 1540 1501 CONECT 1541 1498 1542 1553 1554 CONECT 1542 1541 1543 1547 CONECT 1543 1542 1544 1552 CONECT 1544 1543 1545 1551 CONECT 1545 1544 1546 1550 CONECT 1546 1545 1547 1549 CONECT 1547 1542 1546 1548 CONECT 1548 1547 CONECT 1549 1546 CONECT 1550 1545 CONECT 1551 1544 CONECT 1552 1543 CONECT 1553 1541 CONECT 1554 1541 CONECT 1555 1498 CONECT 1556 1497 CONECT 1557 1494 1558 1564 1565 CONECT 1558 1557 1559 1562 1563 CONECT 1559 1493 1558 1560 1561 CONECT 1560 1559 CONECT 1561 1559 CONECT 1562 1558 CONECT 1563 1558 CONECT 1564 1557 CONECT 1565 1557 CONECT 1566 1494 CONECT 1567 1490 1568 1581 1582 CONECT 1568 1567 1569 1579 1580 CONECT 1569 1568 1570 1577 1578 CONECT 1570 1569 1571 1575 1576 CONECT 1571 1570 1572 1573 1574 CONECT 1572 1571 CONECT 1573 1571 CONECT 1574 1571 CONECT 1575 1570 CONECT 1576 1570 CONECT 1577 1569 CONECT 1578 1569 CONECT 1579 1568 CONECT 1580 1568 CONECT 1581 1567 CONECT 1582 1567 CONECT 1583 1490 CONECT 1584 1489 CONECT 1585 1486 1586 1594 1595 CONECT 1586 1585 1587 1592 1593 CONECT 1587 1586 1588 CONECT 1588 1587 1589 1590 1591 CONECT 1589 1588 CONECT 1590 1588 CONECT 1591 1588 CONECT 1592 1586 CONECT 1593 1586 CONECT 1594 1585 CONECT 1595 1585 CONECT 1596 1486 CONECT 1597 1485 CONECT 1598 1485 CONECT 1599 1485 MASTER 0 0 0 0 0 0 0 0 1598 1 119 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4odm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4odl
RCSB PDB
PDBbind
16aa, >4ODL_2|Chains... *
4odp
RCSB PDB
PDBbind
16aa, >4ODP_2|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
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PDBbind
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16-mer
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RCSB PDB
PDBbind
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RCSB PDB
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1vyj
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PDBbind
16-mer
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PDBbind
16-mer
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RCSB PDB
PDBbind
16-mer
2flu
RCSB PDB
PDBbind
16-mer
2fx7
RCSB PDB
PDBbind
16-mer
2gph
RCSB PDB
PDBbind
16-mer
2ivz
RCSB PDB
PDBbind
16-mer
2k3w
RCSB PDB
PDBbind
16-mer
2koh
RCSB PDB
PDBbind
16-mer
2kvm
RCSB PDB
PDBbind
16-mer
2lcs
RCSB PDB
PDBbind
16-mer
2lsk
RCSB PDB
PDBbind
16-mer
2lsr
RCSB PDB
PDBbind
16-mer
2mg5
RCSB PDB
PDBbind
16-mer
2mpm
RCSB PDB
PDBbind
16-mer
2mps
RCSB PDB
PDBbind
16-mer
2n1g
RCSB PDB
PDBbind
16-mer
3eht
RCSB PDB
PDBbind
16-mer
3g5v
RCSB PDB
PDBbind
16-mer
3g5y
RCSB PDB
PDBbind
16-mer
3g7l
RCSB PDB
PDBbind
16-mer
3k48
RCSB PDB
PDBbind
16-mer
3nfl
RCSB PDB
PDBbind
16-mer
3oe0
RCSB PDB
PDBbind
16-mer
3tdu
RCSB PDB
PDBbind
16-mer
3twr
RCSB PDB
PDBbind
16-mer
3tws
RCSB PDB
PDBbind
16-mer
3twu
RCSB PDB
PDBbind
16-mer
3twv
RCSB PDB
PDBbind
16-mer
3tww
RCSB PDB
PDBbind
16-mer
3twx
RCSB PDB
PDBbind
16-mer
3v3b
RCSB PDB
PDBbind
16-mer
3zqi
RCSB PDB
PDBbind
16-mer
4a2a
RCSB PDB
PDBbind
16-mer
4a7j
RCSB PDB
PDBbind
16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odk
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odp
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
4odm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
FKBP peptidyl-prolyl isomerase SlyD
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=0.855uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) BMC Biol. Vol. 14: pp. 82-82
Ligand Properties
Formula
C
4
0
H
6
1
N
7
O
7
S
Molecular Weight
784.020
Exact Mass
783.435
No. of atoms
116
No. of bonds
118
Polar Surface Area
254.59
LOGP Value
1.83 (
Computed with XLOGP3
)
1.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 3
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)[C@H](CC)C)Cc1ccccc1)CCCC[NH3+])[NH3+]
InChI String
InChI=1S/C40H59N7O7S/c1-4-26(2)34(38(51)45-32(40(53)54)25-28-16-9-6-10-17-28)46-36(49)31(24-27-14-7-5-8-15-27)44-37(50)33-19-13-22-47(33)39(52)30(18-11-12-21-41)43-35(48)29(42)20-23-55-3/h5-10,14-17,26,29-34H,4,11-13,18-25,41-42H2,1-3H3,(H,43,48)(H,44,50)(H,45,51)(H,46,49)(H,53,54)/p+2/t26-,29-,30-,31-,32-,33-,34-/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):
P0A7V0
Q5SLE7
Entrez Gene ID
NCBI Entrez Gene ID:
61734010
947874
3168679
ASD
Information of known allosteric effects of PDB entries
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