Browse entries in the PDBbind-CN Database
HEADER 6NXZ_COMPLEX COMPND 6NXZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 56 ALA THR PHE GLY MET GLY ASP ARG VAL ARG LYS LYS SER SEQRES 2 A 56 GLY ALA ALA TRP GLN GLY GLN ILE VAL GLY TRP TYR CYS SEQRES 3 A 56 THR ASN LEU THR PRO GLU GLY TYR ALA VAL GLU SER GLU SEQRES 4 A 56 ALA HIS PRO GLY SER VAL GLN ILE TYR PRO VAL ALA ALA SEQRES 5 A 56 LEU GLU ARG ILE SEQRES 1 B 56 ALA THR PHE GLY MET GLY ASP ARG VAL ARG LYS LYS SER SEQRES 2 B 56 GLY ALA ALA TRP GLN GLY GLN ILE VAL GLY TRP TYR CYS SEQRES 3 B 56 THR ASN LEU THR PRO GLU GLY TYR ALA VAL GLU SER GLU SEQRES 4 B 56 ALA HIS PRO GLY SER VAL GLN ILE TYR PRO VAL ALA ALA SEQRES 5 B 56 LEU GLU ARG ILE SEQRES 1 C 56 ALA THR PHE GLY MET GLY ASP ARG VAL ARG LYS LYS SER SEQRES 2 C 56 GLY ALA ALA TRP GLN GLY GLN ILE VAL GLY TRP TYR CYS SEQRES 3 C 56 THR ASN LEU THR PRO GLU GLY TYR ALA VAL GLU SER GLU SEQRES 4 C 56 ALA HIS PRO GLY SER VAL GLN ILE TYR PRO VAL ALA ALA SEQRES 5 C 56 LEU GLU ARG ILE SEQRES 1 D 56 ALA THR PHE GLY MET GLY ASP ARG VAL ARG LYS LYS SER SEQRES 2 D 56 GLY ALA ALA TRP GLN GLY GLN ILE VAL GLY TRP TYR CYS SEQRES 3 D 56 THR ASN LEU THR PRO GLU GLY TYR ALA VAL GLU SER GLU SEQRES 4 D 56 ALA HIS PRO GLY SER VAL GLN ILE TYR PRO VAL ALA ALA SEQRES 5 D 56 LEU GLU ARG ILE HET D A 49 20 ATOM 1 N ALA A 22 9.852 -5.072 22.147 1.00 46.73 N ATOM 2 CA ALA A 22 9.707 -4.172 20.901 1.00 41.86 C ATOM 3 C ALA A 22 11.048 -3.569 20.492 1.00 35.07 C ATOM 4 O ALA A 22 11.743 -2.939 21.301 1.00 34.13 O ATOM 5 CB ALA A 22 8.684 -3.066 21.072 1.00 37.92 C ATOM 6 HN3 ALA A 22 10.217 -4.507 22.940 1.00 0.00 H ATOM 7 HN2 ALA A 22 10.514 -5.847 21.938 1.00 0.00 H ATOM 8 HN1 ALA A 22 8.923 -5.466 22.399 1.00 0.00 H ATOM 9 N THR A 23 11.427 -3.796 19.233 1.00 30.09 N ATOM 10 CA THR A 23 12.716 -3.362 18.725 1.00 30.19 C ATOM 11 C THR A 23 12.738 -1.836 18.609 1.00 27.57 C ATOM 12 O THR A 23 13.763 -1.163 18.850 1.00 25.32 O ATOM 13 CB THR A 23 12.963 -4.044 17.368 1.00 29.61 C ATOM 14 OG1 THR A 23 12.903 -5.466 17.559 1.00 32.35 O ATOM 15 CG2 THR A 23 14.303 -3.658 16.704 1.00 29.75 C ATOM 16 HG1 THR A 23 13.060 -5.921 16.694 1.00 0.00 H ATOM 17 H THR A 23 10.778 -4.300 18.595 1.00 0.00 H ATOM 18 N PHE A 24 11.595 -1.285 18.216 1.00 22.35 N ATOM 19 CA PHE A 24 11.527 0.124 17.988 1.00 20.49 C ATOM 20 C PHE A 24 10.358 0.675 18.743 1.00 21.98 C ATOM 21 O PHE A 24 9.404 -0.007 19.069 1.00 22.46 O ATOM 22 CB PHE A 24 11.356 0.487 16.484 1.00 20.55 C ATOM 23 CG PHE A 24 12.307 -0.186 15.536 1.00 23.22 C ATOM 24 CD1 PHE A 24 13.650 0.007 15.636 1.00 19.74 C ATOM 25 CD2 PHE A 24 11.815 -0.928 14.452 1.00 20.59 C ATOM 26 CE1 PHE A 24 14.511 -0.571 14.725 1.00 21.87 C ATOM 27 CE2 PHE A 24 12.659 -1.508 13.554 1.00 20.86 C ATOM 28 CZ PHE A 24 14.003 -1.341 13.674 1.00 19.82 C ATOM 29 H PHE A 24 10.752 -1.877 18.075 1.00 0.00 H ATOM 30 N GLY A 25 10.455 1.962 18.979 1.00 23.78 N ATOM 31 CA GLY A 25 9.426 2.737 19.613 1.00 23.97 C ATOM 32 C GLY A 25 9.012 3.929 18.804 1.00 22.36 C ATOM 33 O GLY A 25 9.670 4.373 17.837 1.00 18.34 O ATOM 34 H GLY A 25 11.327 2.449 18.690 1.00 0.00 H ATOM 35 N MET A 26 7.918 4.473 19.228 1.00 22.06 N ATOM 36 CA MET A 26 7.333 5.614 18.561 1.00 24.17 C ATOM 37 C MET A 26 8.337 6.733 18.412 1.00 25.24 C ATOM 38 O MET A 26 9.009 7.131 19.354 1.00 22.33 O ATOM 39 CB MET A 26 6.086 6.144 19.302 1.00 24.34 C ATOM 40 CG MET A 26 4.843 5.253 19.217 1.00 26.73 C ATOM 41 SD MET A 26 4.044 5.169 17.591 1.00 26.12 S ATOM 42 CE MET A 26 2.543 6.167 17.829 1.00 26.97 C ATOM 43 H MET A 26 7.448 4.080 20.069 1.00 0.00 H ATOM 44 N GLY A 27 8.417 7.241 17.213 1.00 22.01 N ATOM 45 CA GLY A 27 9.311 8.313 16.920 1.00 22.38 C ATOM 46 C GLY A 27 10.702 7.916 16.525 1.00 20.61 C ATOM 47 O GLY A 27 11.477 8.778 16.055 1.00 19.85 O ATOM 48 H GLY A 27 7.817 6.857 16.456 1.00 0.00 H ATOM 49 N ASP A 28 11.073 6.651 16.668 1.00 18.62 N ATOM 50 CA ASP A 28 12.401 6.243 16.160 1.00 17.33 C ATOM 51 C ASP A 28 12.495 6.525 14.694 1.00 18.56 C ATOM 52 O ASP A 28 11.560 6.283 13.945 1.00 18.42 O ATOM 53 CB ASP A 28 12.693 4.732 16.318 1.00 16.16 C ATOM 54 CG ASP A 28 13.046 4.318 17.764 1.00 19.13 C ATOM 55 OD1 ASP A 28 13.488 5.131 18.538 1.00 20.25 O ATOM 56 OD2 ASP A 28 12.929 3.144 18.106 1.00 18.21 O ATOM 57 H ASP A 28 10.444 5.961 17.127 1.00 0.00 H ATOM 58 N ARG A 29 13.662 6.923 14.259 1.00 16.97 N ATOM 59 CA ARG A 29 13.920 7.132 12.826 1.00 17.78 C ATOM 60 C ARG A 29 14.506 5.844 12.302 1.00 18.12 C ATOM 61 O ARG A 29 15.516 5.326 12.873 1.00 17.07 O ATOM 62 CB ARG A 29 14.900 8.264 12.625 1.00 18.63 C ATOM 63 CG ARG A 29 14.887 8.814 11.229 1.00 22.20 C ATOM 64 CD ARG A 29 16.136 9.676 10.966 1.00 26.45 C ATOM 65 NE ARG A 29 16.185 10.290 9.646 1.00 25.59 N ATOM 66 CZ ARG A 29 17.235 10.979 9.229 1.00 28.59 C ATOM 67 NH1 ARG A 29 18.359 11.085 9.989 1.00 30.33 N ATOM 68 NH2 ARG A 29 17.164 11.604 8.071 1.00 28.09 N ATOM 69 HE ARG A 29 15.368 10.183 9.011 1.00 0.00 H ATOM 70 HH12 ARG A 29 19.172 11.632 9.641 1.00 0.00 H ATOM 71 HH11 ARG A 29 18.405 10.619 10.918 1.00 0.00 H ATOM 72 HH22 ARG A 29 17.978 12.151 7.725 1.00 0.00 H ATOM 73 HH21 ARG A 29 16.294 11.550 7.503 1.00 0.00 H ATOM 74 H ARG A 29 14.426 7.096 14.943 1.00 0.00 H ATOM 75 N VAL A 30 13.862 5.295 11.281 1.00 16.54 N ATOM 76 CA VAL A 30 14.264 4.036 10.661 1.00 15.17 C ATOM 77 C VAL A 30 14.256 4.094 9.178 1.00 17.06 C ATOM 78 O VAL A 30 13.728 5.056 8.574 1.00 13.19 O ATOM 79 CB VAL A 30 13.284 2.887 11.123 1.00 16.46 C ATOM 80 CG1 VAL A 30 13.315 2.679 12.617 1.00 15.72 C ATOM 81 CG2 VAL A 30 11.871 3.079 10.565 1.00 15.44 C ATOM 82 H VAL A 30 13.027 5.787 10.902 1.00 0.00 H ATOM 83 N ARG A 31 14.931 3.117 8.596 1.00 14.95 N ATOM 84 CA ARG A 31 14.912 2.936 7.160 1.00 16.58 C ATOM 85 C ARG A 31 14.830 1.521 6.745 1.00 15.27 C ATOM 86 O ARG A 31 15.217 0.630 7.500 1.00 15.96 O ATOM 87 CB ARG A 31 16.145 3.545 6.525 1.00 16.86 C ATOM 88 CG ARG A 31 17.442 2.802 6.876 1.00 20.07 C ATOM 89 CD ARG A 31 18.578 3.555 6.218 1.00 22.35 C ATOM 90 NE ARG A 31 19.807 2.806 6.450 1.00 29.39 N ATOM 91 CZ ARG A 31 21.054 3.321 6.460 1.00 39.74 C ATOM 92 NH1 ARG A 31 22.121 2.533 6.740 1.00 38.95 N ATOM 93 NH2 ARG A 31 21.271 4.618 6.200 1.00 43.73 N ATOM 94 HE ARG A 31 19.714 1.785 6.623 1.00 0.00 H ATOM 95 HH12 ARG A 31 23.079 2.938 6.746 1.00 0.00 H ATOM 96 HH11 ARG A 31 21.982 1.524 6.949 1.00 0.00 H ATOM 97 HH22 ARG A 31 22.240 4.996 6.213 1.00 0.00 H ATOM 98 HH21 ARG A 31 20.471 5.246 5.986 1.00 0.00 H ATOM 99 H ARG A 31 15.488 2.464 9.183 1.00 0.00 H ATOM 100 N LYS A 32 14.316 1.276 5.539 1.00 16.09 N ATOM 101 CA LYS A 32 14.407 -0.012 4.922 1.00 15.83 C ATOM 102 C LYS A 32 15.859 -0.448 4.693 1.00 16.71 C ATOM 103 O LYS A 32 16.685 0.330 4.215 1.00 17.49 O ATOM 104 CB LYS A 32 13.619 -0.067 3.600 1.00 18.95 C ATOM 105 CG LYS A 32 12.120 -0.119 3.737 1.00 21.16 C ATOM 106 CD LYS A 32 11.597 -1.498 3.979 1.00 21.52 C ATOM 107 CE LYS A 32 11.255 -2.318 2.681 1.00 21.24 C ATOM 108 NZ LYS A 32 12.375 -2.524 1.720 1.00 18.74 N ATOM 109 HZ1 LYS A 32 12.724 -1.600 1.393 1.00 0.00 H ATOM 110 HZ2 LYS A 32 13.145 -3.040 2.192 1.00 0.00 H ATOM 111 HZ3 LYS A 32 12.035 -3.075 0.906 1.00 0.00 H ATOM 112 H LYS A 32 13.834 2.045 5.031 1.00 0.00 H ATOM 113 N LYS A 33 16.186 -1.705 5.059 1.00 16.54 N ATOM 114 CA LYS A 33 17.522 -2.191 4.920 1.00 16.77 C ATOM 115 C LYS A 33 17.903 -2.481 3.489 1.00 18.37 C ATOM 116 O LYS A 33 19.107 -2.396 3.143 1.00 21.34 O ATOM 117 CB LYS A 33 17.703 -3.514 5.664 1.00 19.25 C ATOM 118 CG LYS A 33 17.765 -3.364 7.159 1.00 23.50 C ATOM 119 CD LYS A 33 17.717 -4.769 7.760 1.00 27.27 C ATOM 120 CE LYS A 33 17.868 -4.760 9.235 1.00 30.69 C ATOM 121 NZ LYS A 33 17.597 -6.143 9.672 1.00 31.58 N ATOM 122 HZ1 LYS A 33 16.632 -6.411 9.392 1.00 0.00 H ATOM 123 HZ2 LYS A 33 18.281 -6.787 9.225 1.00 0.00 H ATOM 124 HZ3 LYS A 33 17.688 -6.203 10.706 1.00 0.00 H ATOM 125 H LYS A 33 15.453 -2.331 5.449 1.00 0.00 H ATOM 126 N SER A 34 16.930 -2.845 2.658 1.00 15.19 N ATOM 127 CA SER A 34 17.269 -3.378 1.327 1.00 17.45 C ATOM 128 C SER A 34 16.030 -3.288 0.433 1.00 19.28 C ATOM 129 O SER A 34 14.953 -3.063 0.935 1.00 16.90 O ATOM 130 CB SER A 34 17.802 -4.833 1.461 1.00 20.52 C ATOM 131 OG SER A 34 16.746 -5.724 1.697 1.00 20.89 O ATOM 132 HG SER A 34 16.107 -5.684 0.942 1.00 0.00 H ATOM 133 H SER A 34 15.935 -2.754 2.946 1.00 0.00 H ATOM 134 N GLY A 35 16.185 -3.451 -0.879 1.00 18.08 N ATOM 135 CA GLY A 35 15.041 -3.380 -1.829 1.00 18.22 C ATOM 136 C GLY A 35 14.454 -1.982 -1.901 1.00 15.98 C ATOM 137 O GLY A 35 15.199 -0.978 -1.823 1.00 18.07 O ATOM 138 H GLY A 35 17.138 -3.634 -1.253 1.00 0.00 H ATOM 139 N ALA A 36 13.122 -1.902 -1.948 1.00 14.85 N ATOM 140 CA ALA A 36 12.438 -0.638 -2.033 1.00 14.97 C ATOM 141 C ALA A 36 12.820 0.217 -0.801 1.00 15.76 C ATOM 142 O ALA A 36 12.827 -0.228 0.406 1.00 14.02 O ATOM 143 CB ALA A 36 10.932 -0.877 -2.084 1.00 16.52 C ATOM 144 H ALA A 36 12.562 -2.778 -1.922 1.00 0.00 H ATOM 145 N ALA A 37 13.191 1.435 -1.053 1.00 14.97 N ATOM 146 CA ALA A 37 13.593 2.364 -0.015 1.00 14.25 C ATOM 147 C ALA A 37 12.381 2.985 0.723 1.00 16.44 C ATOM 148 O ALA A 37 11.285 3.207 0.143 1.00 17.06 O ATOM 149 CB ALA A 37 14.383 3.476 -0.647 1.00 15.38 C ATOM 150 H ALA A 37 13.200 1.758 -2.041 1.00 0.00 H ATOM 151 N TRP A 38 12.597 3.234 2.003 1.00 14.83 N ATOM 152 CA TRP A 38 11.656 4.008 2.828 1.00 14.46 C ATOM 153 C TRP A 38 12.413 4.525 4.072 1.00 14.79 C ATOM 154 O TRP A 38 13.300 3.870 4.574 1.00 12.61 O ATOM 155 CB TRP A 38 10.520 3.135 3.223 1.00 14.52 C ATOM 156 CG TRP A 38 9.381 3.885 3.707 1.00 15.85 C ATOM 157 CD1 TRP A 38 9.063 4.099 4.965 1.00 17.27 C ATOM 158 CD2 TRP A 38 8.355 4.520 2.903 1.00 16.87 C ATOM 159 NE1 TRP A 38 7.891 4.891 5.039 1.00 17.89 N ATOM 160 CE2 TRP A 38 7.431 5.117 3.783 1.00 17.17 C ATOM 161 CE3 TRP A 38 8.119 4.589 1.534 1.00 21.91 C ATOM 162 CZ2 TRP A 38 6.309 5.805 3.363 1.00 20.49 C ATOM 163 CZ3 TRP A 38 6.975 5.294 1.102 1.00 24.67 C ATOM 164 CH2 TRP A 38 6.092 5.901 2.049 1.00 24.67 C ATOM 165 HE1 TRP A 38 7.454 5.242 5.915 1.00 0.00 H ATOM 166 H TRP A 38 13.465 2.869 2.444 1.00 0.00 H ATOM 167 N GLN A 39 12.150 5.763 4.494 1.00 14.55 N ATOM 168 CA GLN A 39 12.835 6.290 5.657 1.00 15.00 C ATOM 169 C GLN A 39 11.964 7.331 6.305 1.00 15.90 C ATOM 170 O GLN A 39 11.297 8.112 5.643 1.00 15.66 O ATOM 171 CB GLN A 39 14.131 6.892 5.213 1.00 16.36 C ATOM 172 CG GLN A 39 15.009 7.486 6.273 1.00 18.35 C ATOM 173 CD GLN A 39 16.419 7.708 5.773 1.00 18.38 C ATOM 174 OE1 GLN A 39 17.073 6.837 5.287 1.00 19.84 O ATOM 175 NE2 GLN A 39 16.844 8.933 5.813 1.00 19.77 N ATOM 176 HE22 GLN A 39 16.254 9.674 6.242 1.00 0.00 H ATOM 177 HE21 GLN A 39 17.774 9.174 5.416 1.00 0.00 H ATOM 178 H GLN A 39 11.455 6.349 3.989 1.00 0.00 H ATOM 179 N GLY A 40 11.919 7.264 7.623 1.00 14.47 N ATOM 180 CA GLY A 40 11.189 8.219 8.419 1.00 15.85 C ATOM 181 C GLY A 40 10.931 7.694 9.800 1.00 15.89 C ATOM 182 O GLY A 40 11.692 6.880 10.323 1.00 18.21 O ATOM 183 H GLY A 40 12.428 6.495 8.104 1.00 0.00 H ATOM 184 N GLN A 41 9.864 8.123 10.446 1.00 14.70 N ATOM 185 CA GLN A 41 9.657 7.790 11.846 1.00 16.93 C ATOM 186 C GLN A 41 8.617 6.741 12.071 1.00 14.19 C ATOM 187 O GLN A 41 7.578 6.659 11.386 1.00 15.54 O ATOM 188 CB GLN A 41 9.242 9.046 12.607 1.00 20.51 C ATOM 189 CG GLN A 41 10.408 9.991 12.778 1.00 27.48 C ATOM 190 CD GLN A 41 9.990 11.140 13.675 1.00 38.54 C ATOM 191 OE1 GLN A 41 9.604 10.910 14.820 1.00 38.50 O ATOM 192 NE2 GLN A 41 9.968 12.368 13.135 1.00 40.52 N ATOM 193 HE22 GLN A 41 10.305 12.514 12.162 1.00 0.00 H ATOM 194 HE21 GLN A 41 9.614 13.174 13.689 1.00 0.00 H ATOM 195 H GLN A 41 9.162 8.707 9.948 1.00 0.00 H ATOM 196 N ILE A 42 8.879 5.927 13.081 1.00 15.71 N ATOM 197 CA ILE A 42 7.906 4.936 13.551 1.00 14.95 C ATOM 198 C ILE A 42 6.682 5.693 14.111 1.00 16.17 C ATOM 199 O ILE A 42 6.795 6.528 15.044 1.00 13.61 O ATOM 200 CB ILE A 42 8.564 4.032 14.630 1.00 15.92 C ATOM 201 CG1 ILE A 42 9.807 3.288 14.063 1.00 17.63 C ATOM 202 CG2 ILE A 42 7.468 3.188 15.285 1.00 17.17 C ATOM 203 CD1 ILE A 42 9.374 2.146 13.180 1.00 18.47 C ATOM 204 H ILE A 42 9.802 5.992 13.555 1.00 0.00 H ATOM 205 N VAL A 43 5.537 5.370 13.559 1.00 11.89 N ATOM 206 CA VAL A 43 4.246 5.949 13.895 1.00 12.80 C ATOM 207 C VAL A 43 3.190 4.937 14.322 1.00 14.63 C ATOM 208 O VAL A 43 2.029 5.288 14.695 1.00 13.43 O ATOM 209 CB VAL A 43 3.720 6.927 12.781 1.00 12.62 C ATOM 210 CG1 VAL A 43 4.630 8.161 12.499 1.00 13.52 C ATOM 211 CG2 VAL A 43 3.301 6.193 11.487 1.00 13.48 C ATOM 212 H VAL A 43 5.554 4.639 12.819 1.00 0.00 H ATOM 213 N GLY A 44 3.552 3.675 14.320 1.00 15.47 N ATOM 214 CA GLY A 44 2.612 2.667 14.696 1.00 17.41 C ATOM 215 C GLY A 44 3.216 1.287 14.635 1.00 15.91 C ATOM 216 O GLY A 44 4.386 1.124 14.300 1.00 15.73 O ATOM 217 H GLY A 44 4.520 3.410 14.046 1.00 0.00 H ATOM 218 N TRP A 45 2.370 0.289 14.884 1.00 16.09 N ATOM 219 CA TRP A 45 2.716 -1.120 15.165 1.00 17.17 C ATOM 220 C TRP A 45 1.597 -1.958 14.589 1.00 17.18 C ATOM 221 O TRP A 45 0.440 -1.523 14.565 1.00 17.65 O ATOM 222 CB TRP A 45 2.772 -1.359 16.690 1.00 18.59 C ATOM 223 H TRP A 45 1.358 0.527 14.880 1.00 0.00 H ATOM 224 N TYR A 46 1.918 -3.157 14.100 1.00 17.49 N ATOM 225 CA TYR A 46 0.910 -4.192 13.788 1.00 17.58 C ATOM 226 C TYR A 46 1.499 -5.604 14.012 1.00 17.03 C ATOM 227 O TYR A 46 2.697 -5.782 14.047 1.00 16.30 O ATOM 228 CB TYR A 46 0.340 -4.048 12.377 1.00 17.50 C ATOM 229 CG TYR A 46 1.288 -4.402 11.234 1.00 16.38 C ATOM 230 CD1 TYR A 46 2.349 -3.564 10.909 1.00 16.46 C ATOM 231 CD2 TYR A 46 1.176 -5.619 10.518 1.00 14.68 C ATOM 232 CE1 TYR A 46 3.215 -3.883 9.900 1.00 16.40 C ATOM 233 CE2 TYR A 46 2.055 -5.911 9.474 1.00 16.62 C ATOM 234 CZ TYR A 46 3.097 -5.031 9.213 1.00 14.90 C ATOM 235 OH TYR A 46 3.945 -5.364 8.200 1.00 17.03 O ATOM 236 HH TYR A 46 3.435 -5.434 7.354 1.00 0.00 H ATOM 237 H TYR A 46 2.921 -3.373 13.931 1.00 0.00 H ATOM 238 N CYS A 47 0.616 -6.572 14.172 1.00 17.31 N ATOM 239 CA CYS A 47 1.055 -7.924 14.333 1.00 20.22 C ATOM 240 C CYS A 47 0.032 -8.862 13.708 1.00 18.40 C ATOM 241 O CYS A 47 -1.171 -8.788 13.970 1.00 16.83 O ATOM 242 CB CYS A 47 1.304 -8.145 15.850 1.00 24.08 C ATOM 243 SG CYS A 47 0.449 -9.460 16.752 1.00 42.67 S ATOM 244 H CYS A 47 -0.400 -6.351 14.181 1.00 0.00 H ATOM 245 N THR A 48 0.555 -9.769 12.904 1.00 16.58 N ATOM 246 CA THR A 48 -0.193 -10.820 12.266 1.00 16.62 C ATOM 247 C THR A 48 0.610 -12.075 12.366 1.00 15.27 C ATOM 248 O THR A 48 1.762 -12.042 12.724 1.00 15.34 O ATOM 249 CB THR A 48 -0.427 -10.533 10.754 1.00 17.28 C ATOM 250 OG1 THR A 48 0.811 -10.548 10.031 1.00 17.90 O ATOM 251 CG2 THR A 48 -1.190 -9.211 10.544 1.00 17.76 C ATOM 252 HG1 THR A 48 0.635 -10.363 9.074 1.00 0.00 H ATOM 253 H THR A 48 1.577 -9.721 12.719 1.00 0.00 H ATOM 254 N ASN A 49 0.054 -13.211 11.994 1.00 15.13 N ATOM 255 CA ASN A 49 0.850 -14.448 12.015 1.00 16.96 C ATOM 256 C ASN A 49 2.051 -14.403 11.098 1.00 18.70 C ATOM 257 O ASN A 49 3.060 -14.959 11.430 1.00 15.78 O ATOM 258 CB ASN A 49 -0.046 -15.648 11.716 1.00 18.56 C ATOM 259 CG ASN A 49 -0.959 -16.016 12.895 1.00 19.30 C ATOM 260 OD1 ASN A 49 -1.549 -15.147 13.535 1.00 20.45 O ATOM 261 ND2 ASN A 49 -1.053 -17.322 13.202 1.00 21.22 N ATOM 262 HD22 ASN A 49 -0.539 -18.027 12.637 1.00 0.00 H ATOM 263 HD21 ASN A 49 -1.640 -17.627 14.005 1.00 0.00 H ATOM 264 H ASN A 49 -0.940 -13.233 11.688 1.00 0.00 H ATOM 265 N LEU A 50 1.875 -13.820 9.917 1.00 18.70 N ATOM 266 CA LEU A 50 2.958 -13.676 8.943 1.00 20.57 C ATOM 267 C LEU A 50 3.964 -12.661 9.371 1.00 18.76 C ATOM 268 O LEU A 50 5.163 -12.787 9.050 1.00 19.41 O ATOM 269 CB LEU A 50 2.360 -13.182 7.674 1.00 24.61 C ATOM 270 CG LEU A 50 3.277 -12.989 6.492 1.00 28.46 C ATOM 271 CD1 LEU A 50 3.767 -14.364 6.059 1.00 31.23 C ATOM 272 CD2 LEU A 50 2.469 -12.294 5.356 1.00 29.62 C ATOM 273 H LEU A 50 0.933 -13.452 9.676 1.00 0.00 H ATOM 274 N THR A 51 3.490 -11.631 10.069 1.00 15.85 N ATOM 275 CA THR A 51 4.361 -10.554 10.552 1.00 18.55 C ATOM 276 C THR A 51 4.095 -10.226 12.025 1.00 18.24 C ATOM 277 O THR A 51 3.345 -9.278 12.395 1.00 18.24 O ATOM 278 CB THR A 51 4.183 -9.295 9.697 1.00 19.51 C ATOM 279 OG1 THR A 51 4.459 -9.571 8.335 1.00 20.67 O ATOM 280 CG2 THR A 51 5.177 -8.250 10.153 1.00 20.82 C ATOM 281 HG1 THR A 51 5.392 -9.889 8.247 1.00 0.00 H ATOM 282 H THR A 51 2.472 -11.589 10.278 1.00 0.00 H ATOM 283 N PRO A 52 4.676 -11.042 12.907 1.00 19.64 N ATOM 284 CA PRO A 52 4.250 -10.931 14.305 1.00 19.03 C ATOM 285 C PRO A 52 4.812 -9.656 14.941 1.00 18.68 C ATOM 286 O PRO A 52 4.372 -9.278 16.031 1.00 21.16 O ATOM 287 CB PRO A 52 4.883 -12.157 14.981 1.00 20.27 C ATOM 288 CG PRO A 52 5.855 -12.642 14.053 1.00 21.86 C ATOM 289 CD PRO A 52 5.420 -12.294 12.674 1.00 19.94 C ATOM 290 N GLU A 53 5.800 -9.025 14.309 1.00 16.80 N ATOM 291 CA GLU A 53 6.300 -7.729 14.803 1.00 16.12 C ATOM 292 C GLU A 53 6.481 -6.795 13.625 1.00 17.43 C ATOM 293 O GLU A 53 7.447 -6.898 12.905 1.00 15.83 O ATOM 294 CB GLU A 53 7.636 -7.831 15.568 1.00 17.80 C ATOM 295 CG GLU A 53 7.969 -6.524 16.331 1.00 18.54 C ATOM 296 CD GLU A 53 9.335 -6.524 16.981 1.00 21.12 C ATOM 297 OE1 GLU A 53 9.864 -7.641 17.193 1.00 23.12 O ATOM 298 OE2 GLU A 53 9.850 -5.443 17.312 1.00 19.47 O ATOM 299 H GLU A 53 6.223 -9.450 13.459 1.00 0.00 H ATOM 300 N GLY A 54 5.524 -5.901 13.435 1.00 16.40 N ATOM 301 CA GLY A 54 5.485 -5.009 12.266 1.00 16.12 C ATOM 302 C GLY A 54 5.405 -3.599 12.745 1.00 15.44 C ATOM 303 O GLY A 54 4.862 -3.311 13.836 1.00 14.29 O ATOM 304 H GLY A 54 4.766 -5.826 14.143 1.00 0.00 H ATOM 305 N TYR A 55 5.824 -2.706 11.861 1.00 14.23 N ATOM 306 CA TYR A 55 5.851 -1.245 12.148 1.00 14.35 C ATOM 307 C TYR A 55 5.288 -0.402 11.006 1.00 13.61 C ATOM 308 O TYR A 55 5.431 -0.761 9.837 1.00 14.34 O ATOM 309 CB TYR A 55 7.284 -0.760 12.518 1.00 15.74 C ATOM 310 CG TYR A 55 7.788 -1.339 13.813 1.00 15.87 C ATOM 311 CD1 TYR A 55 7.398 -0.805 14.992 1.00 16.46 C ATOM 312 CD2 TYR A 55 8.535 -2.526 13.811 1.00 18.49 C ATOM 313 CE1 TYR A 55 7.811 -1.363 16.223 1.00 17.24 C ATOM 314 CE2 TYR A 55 8.976 -3.090 14.990 1.00 19.15 C ATOM 315 CZ TYR A 55 8.591 -2.547 16.192 1.00 19.79 C ATOM 316 OH TYR A 55 9.068 -3.140 17.353 1.00 17.89 O ATOM 317 HH TYR A 55 8.770 -4.083 17.387 1.00 0.00 H ATOM 318 H TYR A 55 6.147 -3.038 10.930 1.00 0.00 H ATOM 319 N ALA A 56 4.537 0.638 11.360 1.00 12.76 N ATOM 320 CA ALA A 56 4.132 1.703 10.399 1.00 14.16 C ATOM 321 C ALA A 56 5.152 2.827 10.458 1.00 14.38 C ATOM 322 O ALA A 56 5.467 3.237 11.579 1.00 14.80 O ATOM 323 CB ALA A 56 2.769 2.238 10.730 1.00 14.19 C ATOM 324 H ALA A 56 4.220 0.711 12.348 1.00 0.00 H ATOM 325 N VAL A 57 5.670 3.283 9.288 1.00 13.98 N ATOM 326 CA VAL A 57 6.712 4.267 9.180 1.00 13.29 C ATOM 327 C VAL A 57 6.183 5.380 8.285 1.00 13.12 C ATOM 328 O VAL A 57 5.764 5.096 7.182 1.00 12.63 O ATOM 329 CB VAL A 57 7.977 3.655 8.593 1.00 14.34 C ATOM 330 CG1 VAL A 57 9.127 4.692 8.497 1.00 14.95 C ATOM 331 CG2 VAL A 57 8.342 2.381 9.407 1.00 15.50 C ATOM 332 H VAL A 57 5.284 2.891 8.405 1.00 0.00 H ATOM 333 N GLU A 58 6.123 6.603 8.805 1.00 12.02 N ATOM 334 CA GLU A 58 5.677 7.773 8.070 1.00 14.30 C ATOM 335 C GLU A 58 6.907 8.315 7.349 1.00 13.36 C ATOM 336 O GLU A 58 7.978 8.573 7.991 1.00 11.82 O ATOM 337 CB GLU A 58 5.110 8.840 8.959 1.00 14.57 C ATOM 338 CG GLU A 58 4.611 10.033 8.179 1.00 14.53 C ATOM 339 CD GLU A 58 3.996 11.154 8.992 1.00 16.08 C ATOM 340 OE1 GLU A 58 4.040 11.128 10.242 1.00 16.71 O ATOM 341 OE2 GLU A 58 3.461 12.105 8.357 1.00 15.48 O ATOM 342 H GLU A 58 6.413 6.728 9.796 1.00 0.00 H ATOM 343 N SER A 59 6.827 8.477 6.052 1.00 13.63 N ATOM 344 CA SER A 59 7.954 9.061 5.337 1.00 13.74 C ATOM 345 C SER A 59 8.323 10.485 5.800 1.00 14.06 C ATOM 346 O SER A 59 7.482 11.340 5.969 1.00 13.70 O ATOM 347 CB SER A 59 7.707 9.066 3.836 1.00 14.79 C ATOM 348 OG SER A 59 8.741 9.745 3.094 1.00 13.92 O ATOM 349 HG SER A 59 9.609 9.297 3.254 1.00 0.00 H ATOM 350 H SER A 59 5.969 8.192 5.538 1.00 0.00 H ATOM 351 N GLU A 60 9.623 10.665 5.997 1.00 15.72 N ATOM 352 CA GLU A 60 10.211 11.982 6.214 1.00 17.06 C ATOM 353 C GLU A 60 10.277 12.859 4.990 1.00 17.60 C ATOM 354 O GLU A 60 10.448 14.084 5.086 1.00 19.33 O ATOM 355 CB GLU A 60 11.563 11.823 6.913 1.00 17.12 C ATOM 356 CG GLU A 60 12.682 11.192 6.158 1.00 17.37 C ATOM 357 CD GLU A 60 13.896 10.927 7.057 1.00 20.39 C ATOM 358 OE1 GLU A 60 13.785 10.667 8.305 1.00 22.58 O ATOM 359 OE2 GLU A 60 14.980 10.980 6.460 1.00 19.74 O ATOM 360 H GLU A 60 10.248 9.833 5.997 1.00 0.00 H ATOM 361 N ALA A 61 10.194 12.268 3.823 1.00 14.51 N ATOM 362 CA ALA A 61 10.278 13.007 2.592 1.00 16.31 C ATOM 363 C ALA A 61 8.898 13.355 2.092 1.00 17.45 C ATOM 364 O ALA A 61 8.711 14.387 1.407 1.00 16.58 O ATOM 365 CB ALA A 61 11.034 12.206 1.547 1.00 16.55 C ATOM 366 H ALA A 61 10.064 11.237 3.786 1.00 0.00 H ATOM 367 N HIS A 62 7.929 12.505 2.444 1.00 15.20 N ATOM 368 CA HIS A 62 6.568 12.570 1.951 1.00 15.37 C ATOM 369 C HIS A 62 5.596 12.577 3.141 1.00 14.35 C ATOM 370 O HIS A 62 4.998 11.547 3.475 1.00 14.41 O ATOM 371 CB HIS A 62 6.170 11.419 1.015 1.00 14.79 C ATOM 372 CG HIS A 62 7.037 11.253 -0.173 1.00 15.14 C ATOM 373 ND1 HIS A 62 7.332 12.290 -1.031 1.00 15.89 N ATOM 374 CD2 HIS A 62 7.693 10.161 -0.644 1.00 15.52 C ATOM 375 CE1 HIS A 62 8.095 11.829 -2.017 1.00 14.88 C ATOM 376 NE2 HIS A 62 8.333 10.543 -1.790 1.00 15.28 N ATOM 377 H HIS A 62 8.167 11.747 3.116 1.00 0.00 H ATOM 378 N PRO A 63 5.461 13.731 3.810 1.00 15.28 N ATOM 379 CA PRO A 63 4.648 13.699 5.017 1.00 14.02 C ATOM 380 C PRO A 63 3.204 13.257 4.780 1.00 14.32 C ATOM 381 O PRO A 63 2.620 13.592 3.739 1.00 15.31 O ATOM 382 CB PRO A 63 4.656 15.167 5.515 1.00 15.05 C ATOM 383 CG PRO A 63 5.702 15.873 4.715 1.00 14.92 C ATOM 384 CD PRO A 63 6.156 14.996 3.610 1.00 15.94 C ATOM 385 N GLY A 64 2.681 12.469 5.713 1.00 14.74 N ATOM 386 CA GLY A 64 1.345 11.896 5.654 1.00 14.90 C ATOM 387 C GLY A 64 1.316 10.471 5.049 1.00 14.03 C ATOM 388 O GLY A 64 0.330 9.721 5.210 1.00 15.29 O ATOM 389 H GLY A 64 3.267 12.246 6.543 1.00 0.00 H ATOM 390 N SER A 65 2.354 10.120 4.254 1.00 13.57 N ATOM 391 CA SER A 65 2.375 8.830 3.601 1.00 13.04 C ATOM 392 C SER A 65 3.031 7.871 4.559 1.00 13.23 C ATOM 393 O SER A 65 4.100 8.131 5.064 1.00 12.76 O ATOM 394 CB SER A 65 3.082 8.804 2.204 1.00 12.96 C ATOM 395 OG SER A 65 2.234 9.465 1.278 1.00 16.46 O ATOM 396 HG SER A 65 2.659 9.463 0.384 1.00 0.00 H ATOM 397 H SER A 65 3.142 10.783 4.112 1.00 0.00 H ATOM 398 N VAL A 66 2.358 6.737 4.743 1.00 15.08 N ATOM 399 CA VAL A 66 2.762 5.744 5.723 1.00 14.76 C ATOM 400 C VAL A 66 2.841 4.398 5.032 1.00 15.92 C ATOM 401 O VAL A 66 1.931 4.027 4.262 1.00 14.86 O ATOM 402 CB VAL A 66 1.759 5.668 6.886 1.00 14.88 C ATOM 403 CG1 VAL A 66 2.142 4.560 7.859 1.00 15.82 C ATOM 404 CG2 VAL A 66 1.747 7.019 7.565 1.00 14.87 C ATOM 405 H VAL A 66 1.513 6.556 4.164 1.00 0.00 H ATOM 406 N GLN A 67 3.941 3.676 5.253 1.00 14.39 N ATOM 407 CA GLN A 67 4.030 2.256 4.817 1.00 14.85 C ATOM 408 C GLN A 67 4.311 1.375 5.998 1.00 14.84 C ATOM 409 O GLN A 67 4.803 1.815 7.057 1.00 16.17 O ATOM 410 CB GLN A 67 5.076 2.062 3.722 1.00 19.04 C ATOM 411 CG GLN A 67 4.777 2.832 2.441 1.00 25.68 C ATOM 412 CD GLN A 67 4.394 1.995 1.230 1.00 40.82 C ATOM 413 OE1 GLN A 67 3.406 1.202 1.261 1.00 47.97 O ATOM 414 NE2 GLN A 67 5.141 2.207 0.102 1.00 48.06 N ATOM 415 HE22 GLN A 67 5.943 2.868 0.126 1.00 0.00 H ATOM 416 HE21 GLN A 67 4.906 1.707 -0.779 1.00 0.00 H ATOM 417 H GLN A 67 4.750 4.113 5.738 1.00 0.00 H ATOM 418 N ILE A 68 3.964 0.113 5.838 1.00 14.80 N ATOM 419 CA ILE A 68 4.115 -0.837 6.966 1.00 15.89 C ATOM 420 C ILE A 68 5.047 -1.974 6.526 1.00 15.10 C ATOM 421 O ILE A 68 4.955 -2.498 5.373 1.00 13.46 O ATOM 422 CB ILE A 68 2.779 -1.402 7.489 1.00 16.63 C ATOM 423 CG1 ILE A 68 1.953 -2.103 6.368 1.00 20.30 C ATOM 424 CG2 ILE A 68 1.902 -0.343 8.003 1.00 16.65 C ATOM 425 CD1 ILE A 68 0.645 -2.767 6.810 1.00 21.55 C ATOM 426 H ILE A 68 3.587 -0.214 4.926 1.00 0.00 H ATOM 427 N TYR A 69 5.884 -2.389 7.464 1.00 14.53 N ATOM 428 CA TYR A 69 6.982 -3.366 7.213 1.00 15.64 C ATOM 429 C TYR A 69 7.218 -4.296 8.421 1.00 15.47 C ATOM 430 O TYR A 69 7.062 -3.849 9.563 1.00 15.17 O ATOM 431 CB TYR A 69 8.334 -2.684 6.887 1.00 16.28 C ATOM 432 CG TYR A 69 8.269 -1.758 5.695 1.00 16.09 C ATOM 433 CD1 TYR A 69 8.163 -2.238 4.353 1.00 18.40 C ATOM 434 CD2 TYR A 69 8.184 -0.386 5.912 1.00 17.05 C ATOM 435 CE1 TYR A 69 8.026 -1.338 3.288 1.00 18.21 C ATOM 436 CE2 TYR A 69 8.112 0.492 4.874 1.00 18.41 C ATOM 437 CZ TYR A 69 8.031 0.011 3.555 1.00 19.10 C ATOM 438 OH TYR A 69 7.911 0.952 2.537 1.00 19.82 O ATOM 439 HH TYR A 69 7.864 0.488 1.664 1.00 0.00 H ATOM 440 H TYR A 69 5.770 -2.014 8.427 1.00 0.00 H ATOM 441 N PRO A 70 7.641 -5.557 8.164 1.00 15.13 N ATOM 442 CA PRO A 70 8.083 -6.406 9.263 1.00 16.51 C ATOM 443 C PRO A 70 9.373 -5.803 9.845 1.00 17.48 C ATOM 444 O PRO A 70 10.119 -5.141 9.121 1.00 16.22 O ATOM 445 CB PRO A 70 8.363 -7.777 8.584 1.00 16.54 C ATOM 446 CG PRO A 70 7.651 -7.743 7.301 1.00 18.75 C ATOM 447 CD PRO A 70 7.664 -6.280 6.872 1.00 17.26 C ATOM 448 N VAL A 71 9.575 -6.013 11.126 1.00 17.56 N ATOM 449 CA VAL A 71 10.755 -5.529 11.847 1.00 18.92 C ATOM 450 C VAL A 71 12.062 -5.893 11.177 1.00 19.15 C ATOM 451 O VAL A 71 12.922 -5.051 11.091 1.00 17.48 O ATOM 452 CB VAL A 71 10.750 -5.950 13.348 1.00 21.01 C ATOM 453 CG1 VAL A 71 10.844 -7.446 13.480 1.00 20.82 C ATOM 454 CG2 VAL A 71 11.833 -5.288 14.141 1.00 21.94 C ATOM 455 H VAL A 71 8.860 -6.551 11.656 1.00 0.00 H ATOM 456 N ALA A 72 12.149 -7.088 10.633 1.00 18.64 N ATOM 457 CA ALA A 72 13.394 -7.528 9.949 1.00 20.53 C ATOM 458 C ALA A 72 13.758 -6.706 8.716 1.00 18.21 C ATOM 459 O ALA A 72 14.934 -6.689 8.293 1.00 17.85 O ATOM 460 CB ALA A 72 13.289 -8.988 9.625 1.00 23.64 C ATOM 461 H ALA A 72 11.335 -7.734 10.682 1.00 0.00 H ATOM 462 N ALA A 73 12.793 -6.015 8.119 1.00 16.38 N ATOM 463 CA ALA A 73 13.033 -5.169 7.014 1.00 15.41 C ATOM 464 C ALA A 73 13.648 -3.830 7.401 1.00 15.02 C ATOM 465 O ALA A 73 14.013 -3.099 6.483 1.00 14.65 O ATOM 466 CB ALA A 73 11.751 -4.900 6.233 1.00 15.75 C ATOM 467 H ALA A 73 11.821 -6.101 8.480 1.00 0.00 H ATOM 468 N LEU A 74 13.629 -3.473 8.686 1.00 13.89 N ATOM 469 CA LEU A 74 13.938 -2.115 9.109 1.00 15.31 C ATOM 470 C LEU A 74 15.161 -2.021 9.981 1.00 17.45 C ATOM 471 O LEU A 74 15.478 -2.984 10.673 1.00 18.92 O ATOM 472 CB LEU A 74 12.748 -1.482 9.815 1.00 16.57 C ATOM 473 CG LEU A 74 11.396 -1.303 9.032 1.00 14.71 C ATOM 474 CD1 LEU A 74 10.282 -1.052 10.050 1.00 15.01 C ATOM 475 CD2 LEU A 74 11.536 -0.258 7.981 1.00 15.45 C ATOM 476 H LEU A 74 13.387 -4.184 9.405 1.00 0.00 H ATOM 477 N GLU A 75 15.815 -0.863 9.917 1.00 18.79 N ATOM 478 CA GLU A 75 16.878 -0.592 10.816 1.00 21.58 C ATOM 479 C GLU A 75 16.808 0.834 11.290 1.00 20.46 C ATOM 480 O GLU A 75 16.427 1.750 10.583 1.00 14.82 O ATOM 481 CB GLU A 75 18.231 -0.972 10.172 1.00 23.58 C ATOM 482 CG GLU A 75 18.617 -0.032 9.064 1.00 24.74 C ATOM 483 CD GLU A 75 19.775 -0.546 8.204 1.00 29.80 C ATOM 484 OE1 GLU A 75 20.373 -1.584 8.555 1.00 36.44 O ATOM 485 OE2 GLU A 75 20.117 0.124 7.197 1.00 30.19 O ATOM 486 H GLU A 75 15.545 -0.154 9.205 1.00 0.00 H ATOM 487 N ARG A 76 17.165 1.016 12.553 1.00 18.32 N ATOM 488 CA ARG A 76 17.173 2.346 13.210 1.00 20.23 C ATOM 489 C ARG A 76 18.401 3.197 12.787 1.00 21.73 C ATOM 490 O ARG A 76 19.491 2.663 12.599 1.00 20.71 O ATOM 491 CB ARG A 76 17.074 2.170 14.745 1.00 19.25 C ATOM 492 CG ARG A 76 16.825 3.507 15.423 1.00 20.25 C ATOM 493 CD ARG A 76 16.384 3.282 16.870 1.00 21.40 C ATOM 494 NE ARG A 76 17.330 2.493 17.653 1.00 22.61 N ATOM 495 CZ ARG A 76 18.331 2.961 18.403 1.00 22.56 C ATOM 496 NH1 ARG A 76 18.542 4.269 18.543 1.00 22.42 N ATOM 497 NH2 ARG A 76 19.085 2.082 19.064 1.00 20.42 N ATOM 498 HE ARG A 76 17.212 1.460 17.624 1.00 0.00 H ATOM 499 HH12 ARG A 76 19.328 4.609 19.133 1.00 0.00 H ATOM 500 HH11 ARG A 76 17.920 4.950 18.063 1.00 0.00 H ATOM 501 HH22 ARG A 76 19.872 2.414 19.657 1.00 0.00 H ATOM 502 HH21 ARG A 76 18.886 1.064 18.987 1.00 0.00 H ATOM 503 H ARG A 76 17.453 0.187 13.110 1.00 0.00 H ATOM 504 N ILE A 77 18.259 4.515 12.587 1.00 21.50 N ATOM 505 CA ILE A 77 19.403 5.320 12.135 1.00 20.68 C ATOM 506 C ILE A 77 19.566 6.521 13.065 1.00 24.41 C ATOM 507 O ILE A 77 18.566 6.873 13.716 1.00 24.93 O ATOM 508 CB ILE A 77 19.288 5.722 10.599 1.00 20.94 C ATOM 509 CG1 ILE A 77 17.965 6.459 10.345 1.00 20.86 C ATOM 510 CG2 ILE A 77 19.434 4.474 9.695 1.00 22.18 C ATOM 511 CD1 ILE A 77 17.760 7.050 8.977 1.00 19.46 C ATOM 512 H ILE A 77 17.338 4.969 12.752 1.00 0.00 H TER 513 ILE A 77 ATOM 514 N ALA B 22 5.072 -9.852 -22.147 1.00 46.73 N ATOM 515 CA ALA B 22 4.172 -9.707 -20.901 1.00 41.86 C ATOM 516 C ALA B 22 3.569 -11.048 -20.492 1.00 35.07 C ATOM 517 O ALA B 22 2.939 -11.743 -21.301 1.00 34.13 O ATOM 518 CB ALA B 22 3.066 -8.684 -21.072 1.00 37.92 C ATOM 519 HN3 ALA B 22 4.507 -10.217 -22.940 1.00 0.00 H ATOM 520 HN2 ALA B 22 5.847 -10.514 -21.938 1.00 0.00 H ATOM 521 HN1 ALA B 22 5.466 -8.923 -22.399 1.00 0.00 H ATOM 522 N THR B 23 3.796 -11.427 -19.233 1.00 30.09 N ATOM 523 CA THR B 23 3.362 -12.716 -18.725 1.00 30.19 C ATOM 524 C THR B 23 1.836 -12.738 -18.609 1.00 27.57 C ATOM 525 O THR B 23 1.163 -13.763 -18.850 1.00 25.32 O ATOM 526 CB THR B 23 4.044 -12.963 -17.368 1.00 29.61 C ATOM 527 OG1 THR B 23 5.466 -12.903 -17.559 1.00 32.35 O ATOM 528 CG2 THR B 23 3.658 -14.303 -16.704 1.00 29.75 C ATOM 529 HG1 THR B 23 5.921 -13.060 -16.694 1.00 0.00 H ATOM 530 H THR B 23 4.300 -10.778 -18.595 1.00 0.00 H ATOM 531 N PHE B 24 1.285 -11.595 -18.216 1.00 22.35 N ATOM 532 CA PHE B 24 -0.124 -11.527 -17.988 1.00 20.49 C ATOM 533 C PHE B 24 -0.675 -10.358 -18.743 1.00 21.98 C ATOM 534 O PHE B 24 0.007 -9.404 -19.069 1.00 22.46 O ATOM 535 CB PHE B 24 -0.487 -11.356 -16.484 1.00 20.55 C ATOM 536 CG PHE B 24 0.186 -12.307 -15.536 1.00 23.22 C ATOM 537 CD1 PHE B 24 -0.007 -13.650 -15.636 1.00 19.74 C ATOM 538 CD2 PHE B 24 0.928 -11.815 -14.452 1.00 20.59 C ATOM 539 CE1 PHE B 24 0.571 -14.511 -14.725 1.00 21.87 C ATOM 540 CE2 PHE B 24 1.508 -12.659 -13.554 1.00 20.86 C ATOM 541 CZ PHE B 24 1.341 -14.003 -13.674 1.00 19.82 C ATOM 542 H PHE B 24 1.877 -10.752 -18.075 1.00 0.00 H ATOM 543 N GLY B 25 -1.962 -10.455 -18.979 1.00 23.78 N ATOM 544 CA GLY B 25 -2.737 -9.426 -19.613 1.00 23.97 C ATOM 545 C GLY B 25 -3.929 -9.012 -18.804 1.00 22.36 C ATOM 546 O GLY B 25 -4.373 -9.670 -17.837 1.00 18.34 O ATOM 547 H GLY B 25 -2.449 -11.327 -18.690 1.00 0.00 H ATOM 548 N MET B 26 -4.473 -7.918 -19.228 1.00 22.06 N ATOM 549 CA MET B 26 -5.614 -7.333 -18.561 1.00 24.17 C ATOM 550 C MET B 26 -6.733 -8.337 -18.412 1.00 25.24 C ATOM 551 O MET B 26 -7.131 -9.009 -19.354 1.00 22.33 O ATOM 552 CB MET B 26 -6.144 -6.086 -19.302 1.00 24.34 C ATOM 553 CG MET B 26 -5.253 -4.843 -19.217 1.00 26.73 C ATOM 554 SD MET B 26 -5.169 -4.044 -17.591 1.00 26.12 S ATOM 555 CE MET B 26 -6.167 -2.543 -17.829 1.00 26.97 C ATOM 556 H MET B 26 -4.080 -7.448 -20.069 1.00 0.00 H ATOM 557 N GLY B 27 -7.241 -8.417 -17.213 1.00 22.01 N ATOM 558 CA GLY B 27 -8.313 -9.311 -16.920 1.00 22.38 C ATOM 559 C GLY B 27 -7.916 -10.702 -16.525 1.00 20.61 C ATOM 560 O GLY B 27 -8.778 -11.477 -16.055 1.00 19.85 O ATOM 561 H GLY B 27 -6.857 -7.817 -16.456 1.00 0.00 H ATOM 562 N ASP B 28 -6.651 -11.073 -16.668 1.00 18.62 N ATOM 563 CA ASP B 28 -6.243 -12.401 -16.160 1.00 17.33 C ATOM 564 C ASP B 28 -6.525 -12.495 -14.694 1.00 18.56 C ATOM 565 O ASP B 28 -6.283 -11.560 -13.945 1.00 18.42 O ATOM 566 CB ASP B 28 -4.732 -12.693 -16.318 1.00 16.16 C ATOM 567 CG ASP B 28 -4.318 -13.046 -17.764 1.00 19.13 C ATOM 568 OD1 ASP B 28 -5.131 -13.488 -18.538 1.00 20.25 O ATOM 569 OD2 ASP B 28 -3.144 -12.929 -18.106 1.00 18.21 O ATOM 570 H ASP B 28 -5.961 -10.444 -17.127 1.00 0.00 H ATOM 571 N ARG B 29 -6.923 -13.662 -14.259 1.00 16.97 N ATOM 572 CA ARG B 29 -7.132 -13.920 -12.826 1.00 17.78 C ATOM 573 C ARG B 29 -5.844 -14.506 -12.302 1.00 18.12 C ATOM 574 O ARG B 29 -5.326 -15.516 -12.873 1.00 17.07 O ATOM 575 CB ARG B 29 -8.264 -14.900 -12.625 1.00 18.63 C ATOM 576 CG ARG B 29 -8.814 -14.887 -11.229 1.00 22.20 C ATOM 577 CD ARG B 29 -9.676 -16.136 -10.966 1.00 26.45 C ATOM 578 NE ARG B 29 -10.290 -16.185 -9.646 1.00 25.59 N ATOM 579 CZ ARG B 29 -10.979 -17.235 -9.229 1.00 28.59 C ATOM 580 NH1 ARG B 29 -11.085 -18.359 -9.989 1.00 30.33 N ATOM 581 NH2 ARG B 29 -11.604 -17.164 -8.071 1.00 28.09 N ATOM 582 HE ARG B 29 -10.183 -15.368 -9.011 1.00 0.00 H ATOM 583 HH12 ARG B 29 -11.632 -19.172 -9.641 1.00 0.00 H ATOM 584 HH11 ARG B 29 -10.619 -18.405 -10.918 1.00 0.00 H ATOM 585 HH22 ARG B 29 -12.151 -17.978 -7.725 1.00 0.00 H ATOM 586 HH21 ARG B 29 -11.550 -16.294 -7.503 1.00 0.00 H ATOM 587 H ARG B 29 -7.096 -14.426 -14.943 1.00 0.00 H ATOM 588 N VAL B 30 -5.295 -13.862 -11.281 1.00 16.54 N ATOM 589 CA VAL B 30 -4.036 -14.264 -10.661 1.00 15.17 C ATOM 590 C VAL B 30 -4.094 -14.256 -9.178 1.00 17.06 C ATOM 591 O VAL B 30 -5.056 -13.728 -8.574 1.00 13.19 O ATOM 592 CB VAL B 30 -2.887 -13.284 -11.123 1.00 16.46 C ATOM 593 CG1 VAL B 30 -2.679 -13.315 -12.617 1.00 15.72 C ATOM 594 CG2 VAL B 30 -3.079 -11.871 -10.565 1.00 15.44 C ATOM 595 H VAL B 30 -5.787 -13.027 -10.902 1.00 0.00 H ATOM 596 N ARG B 31 -3.117 -14.931 -8.596 1.00 14.95 N ATOM 597 CA ARG B 31 -2.936 -14.912 -7.160 1.00 16.58 C ATOM 598 C ARG B 31 -1.521 -14.830 -6.745 1.00 15.27 C ATOM 599 O ARG B 31 -0.630 -15.217 -7.500 1.00 15.96 O ATOM 600 CB ARG B 31 -3.545 -16.145 -6.525 1.00 16.86 C ATOM 601 CG ARG B 31 -2.802 -17.442 -6.876 1.00 20.07 C ATOM 602 CD ARG B 31 -3.555 -18.578 -6.218 1.00 22.35 C ATOM 603 NE ARG B 31 -2.806 -19.807 -6.450 1.00 29.39 N ATOM 604 CZ ARG B 31 -3.321 -21.054 -6.460 1.00 39.74 C ATOM 605 NH1 ARG B 31 -2.533 -22.121 -6.740 1.00 38.95 N ATOM 606 NH2 ARG B 31 -4.618 -21.271 -6.200 1.00 43.73 N ATOM 607 HE ARG B 31 -1.785 -19.714 -6.623 1.00 0.00 H ATOM 608 HH12 ARG B 31 -2.938 -23.079 -6.746 1.00 0.00 H ATOM 609 HH11 ARG B 31 -1.524 -21.982 -6.949 1.00 0.00 H ATOM 610 HH22 ARG B 31 -4.996 -22.240 -6.213 1.00 0.00 H ATOM 611 HH21 ARG B 31 -5.246 -20.471 -5.986 1.00 0.00 H ATOM 612 H ARG B 31 -2.464 -15.488 -9.183 1.00 0.00 H ATOM 613 N LYS B 32 -1.276 -14.316 -5.539 1.00 16.09 N ATOM 614 CA LYS B 32 0.012 -14.407 -4.922 1.00 15.83 C ATOM 615 C LYS B 32 0.448 -15.859 -4.693 1.00 16.71 C ATOM 616 O LYS B 32 -0.330 -16.685 -4.215 1.00 17.49 O ATOM 617 CB LYS B 32 0.067 -13.619 -3.600 1.00 18.95 C ATOM 618 CG LYS B 32 0.119 -12.120 -3.737 1.00 21.16 C ATOM 619 CD LYS B 32 1.498 -11.597 -3.979 1.00 21.52 C ATOM 620 CE LYS B 32 2.318 -11.255 -2.681 1.00 21.24 C ATOM 621 NZ LYS B 32 2.524 -12.375 -1.720 1.00 18.74 N ATOM 622 HZ1 LYS B 32 1.600 -12.724 -1.393 1.00 0.00 H ATOM 623 HZ2 LYS B 32 3.040 -13.145 -2.192 1.00 0.00 H ATOM 624 HZ3 LYS B 32 3.075 -12.035 -0.906 1.00 0.00 H ATOM 625 H LYS B 32 -2.045 -13.834 -5.031 1.00 0.00 H ATOM 626 N LYS B 33 1.705 -16.186 -5.059 1.00 16.54 N ATOM 627 CA LYS B 33 2.191 -17.522 -4.920 1.00 16.77 C ATOM 628 C LYS B 33 2.481 -17.903 -3.489 1.00 18.37 C ATOM 629 O LYS B 33 2.396 -19.107 -3.143 1.00 21.34 O ATOM 630 CB LYS B 33 3.514 -17.703 -5.664 1.00 19.25 C ATOM 631 CG LYS B 33 3.364 -17.765 -7.159 1.00 23.50 C ATOM 632 CD LYS B 33 4.769 -17.717 -7.760 1.00 27.27 C ATOM 633 CE LYS B 33 4.760 -17.868 -9.235 1.00 30.69 C ATOM 634 NZ LYS B 33 6.143 -17.597 -9.672 1.00 31.58 N ATOM 635 HZ1 LYS B 33 6.411 -16.632 -9.392 1.00 0.00 H ATOM 636 HZ2 LYS B 33 6.787 -18.281 -9.225 1.00 0.00 H ATOM 637 HZ3 LYS B 33 6.203 -17.688 -10.706 1.00 0.00 H ATOM 638 H LYS B 33 2.331 -15.453 -5.449 1.00 0.00 H ATOM 639 N SER B 34 2.845 -16.930 -2.658 1.00 15.19 N ATOM 640 CA SER B 34 3.378 -17.269 -1.327 1.00 17.45 C ATOM 641 C SER B 34 3.288 -16.030 -0.433 1.00 19.28 C ATOM 642 O SER B 34 3.063 -14.953 -0.935 1.00 16.90 O ATOM 643 CB SER B 34 4.833 -17.802 -1.461 1.00 20.52 C ATOM 644 OG SER B 34 5.724 -16.746 -1.697 1.00 20.89 O ATOM 645 HG SER B 34 5.684 -16.107 -0.942 1.00 0.00 H ATOM 646 H SER B 34 2.754 -15.935 -2.946 1.00 0.00 H ATOM 647 N GLY B 35 3.451 -16.185 0.879 1.00 18.08 N ATOM 648 CA GLY B 35 3.380 -15.041 1.829 1.00 18.22 C ATOM 649 C GLY B 35 1.982 -14.454 1.901 1.00 15.98 C ATOM 650 O GLY B 35 0.978 -15.199 1.823 1.00 18.07 O ATOM 651 H GLY B 35 3.634 -17.138 1.253 1.00 0.00 H ATOM 652 N ALA B 36 1.902 -13.122 1.948 1.00 14.85 N ATOM 653 CA ALA B 36 0.638 -12.438 2.033 1.00 14.97 C ATOM 654 C ALA B 36 -0.217 -12.820 0.801 1.00 15.76 C ATOM 655 O ALA B 36 0.228 -12.827 -0.406 1.00 14.02 O ATOM 656 CB ALA B 36 0.877 -10.932 2.084 1.00 16.52 C ATOM 657 H ALA B 36 2.778 -12.562 1.922 1.00 0.00 H ATOM 658 N ALA B 37 -1.435 -13.191 1.053 1.00 14.97 N ATOM 659 CA ALA B 37 -2.364 -13.593 0.015 1.00 14.25 C ATOM 660 C ALA B 37 -2.985 -12.381 -0.723 1.00 16.44 C ATOM 661 O ALA B 37 -3.207 -11.285 -0.143 1.00 17.06 O ATOM 662 CB ALA B 37 -3.476 -14.383 0.647 1.00 15.38 C ATOM 663 H ALA B 37 -1.758 -13.200 2.041 1.00 0.00 H ATOM 664 N TRP B 38 -3.234 -12.597 -2.003 1.00 14.83 N ATOM 665 CA TRP B 38 -4.008 -11.656 -2.828 1.00 14.46 C ATOM 666 C TRP B 38 -4.525 -12.413 -4.072 1.00 14.79 C ATOM 667 O TRP B 38 -3.870 -13.300 -4.574 1.00 12.61 O ATOM 668 CB TRP B 38 -3.135 -10.520 -3.223 1.00 14.52 C ATOM 669 CG TRP B 38 -3.885 -9.381 -3.707 1.00 15.85 C ATOM 670 CD1 TRP B 38 -4.099 -9.063 -4.965 1.00 17.27 C ATOM 671 CD2 TRP B 38 -4.520 -8.355 -2.903 1.00 16.87 C ATOM 672 NE1 TRP B 38 -4.891 -7.891 -5.039 1.00 17.89 N ATOM 673 CE2 TRP B 38 -5.117 -7.431 -3.783 1.00 17.17 C ATOM 674 CE3 TRP B 38 -4.589 -8.119 -1.534 1.00 21.91 C ATOM 675 CZ2 TRP B 38 -5.805 -6.309 -3.363 1.00 20.49 C ATOM 676 CZ3 TRP B 38 -5.294 -6.975 -1.102 1.00 24.67 C ATOM 677 CH2 TRP B 38 -5.901 -6.092 -2.049 1.00 24.67 C ATOM 678 HE1 TRP B 38 -5.242 -7.454 -5.915 1.00 0.00 H ATOM 679 H TRP B 38 -2.869 -13.465 -2.444 1.00 0.00 H ATOM 680 N GLN B 39 -5.763 -12.150 -4.494 1.00 14.55 N ATOM 681 CA GLN B 39 -6.290 -12.835 -5.657 1.00 15.00 C ATOM 682 C GLN B 39 -7.331 -11.964 -6.305 1.00 15.90 C ATOM 683 O GLN B 39 -8.112 -11.297 -5.643 1.00 15.66 O ATOM 684 CB GLN B 39 -6.892 -14.131 -5.213 1.00 16.36 C ATOM 685 CG GLN B 39 -7.486 -15.009 -6.273 1.00 18.35 C ATOM 686 CD GLN B 39 -7.708 -16.419 -5.773 1.00 18.38 C ATOM 687 OE1 GLN B 39 -6.837 -17.073 -5.287 1.00 19.84 O ATOM 688 NE2 GLN B 39 -8.933 -16.844 -5.813 1.00 19.77 N ATOM 689 HE22 GLN B 39 -9.674 -16.254 -6.242 1.00 0.00 H ATOM 690 HE21 GLN B 39 -9.174 -17.774 -5.416 1.00 0.00 H ATOM 691 H GLN B 39 -6.349 -11.455 -3.989 1.00 0.00 H ATOM 692 N GLY B 40 -7.264 -11.919 -7.623 1.00 14.47 N ATOM 693 CA GLY B 40 -8.219 -11.189 -8.419 1.00 15.85 C ATOM 694 C GLY B 40 -7.694 -10.931 -9.800 1.00 15.89 C ATOM 695 O GLY B 40 -6.880 -11.692 -10.323 1.00 18.21 O ATOM 696 H GLY B 40 -6.495 -12.428 -8.104 1.00 0.00 H ATOM 697 N GLN B 41 -8.123 -9.864 -10.446 1.00 14.70 N ATOM 698 CA GLN B 41 -7.790 -9.657 -11.846 1.00 16.93 C ATOM 699 C GLN B 41 -6.741 -8.617 -12.071 1.00 14.19 C ATOM 700 O GLN B 41 -6.659 -7.578 -11.386 1.00 15.54 O ATOM 701 CB GLN B 41 -9.046 -9.242 -12.607 1.00 20.51 C ATOM 702 CG GLN B 41 -9.991 -10.408 -12.778 1.00 27.48 C ATOM 703 CD GLN B 41 -11.140 -9.990 -13.675 1.00 38.54 C ATOM 704 OE1 GLN B 41 -10.910 -9.604 -14.820 1.00 38.50 O ATOM 705 NE2 GLN B 41 -12.368 -9.968 -13.135 1.00 40.52 N ATOM 706 HE22 GLN B 41 -12.514 -10.305 -12.162 1.00 0.00 H ATOM 707 HE21 GLN B 41 -13.174 -9.614 -13.689 1.00 0.00 H ATOM 708 H GLN B 41 -8.707 -9.162 -9.948 1.00 0.00 H ATOM 709 N ILE B 42 -5.927 -8.879 -13.081 1.00 15.71 N ATOM 710 CA ILE B 42 -4.936 -7.906 -13.551 1.00 14.95 C ATOM 711 C ILE B 42 -5.693 -6.682 -14.111 1.00 16.17 C ATOM 712 O ILE B 42 -6.528 -6.795 -15.044 1.00 13.61 O ATOM 713 CB ILE B 42 -4.032 -8.564 -14.630 1.00 15.92 C ATOM 714 CG1 ILE B 42 -3.288 -9.807 -14.063 1.00 17.63 C ATOM 715 CG2 ILE B 42 -3.188 -7.468 -15.285 1.00 17.17 C ATOM 716 CD1 ILE B 42 -2.146 -9.374 -13.180 1.00 18.47 C ATOM 717 H ILE B 42 -5.992 -9.802 -13.555 1.00 0.00 H ATOM 718 N VAL B 43 -5.370 -5.537 -13.559 1.00 11.89 N ATOM 719 CA VAL B 43 -5.949 -4.246 -13.895 1.00 12.80 C ATOM 720 C VAL B 43 -4.937 -3.190 -14.322 1.00 14.63 C ATOM 721 O VAL B 43 -5.288 -2.029 -14.695 1.00 13.43 O ATOM 722 CB VAL B 43 -6.927 -3.720 -12.781 1.00 12.62 C ATOM 723 CG1 VAL B 43 -8.161 -4.630 -12.499 1.00 13.52 C ATOM 724 CG2 VAL B 43 -6.193 -3.301 -11.487 1.00 13.48 C ATOM 725 H VAL B 43 -4.639 -5.554 -12.819 1.00 0.00 H ATOM 726 N GLY B 44 -3.675 -3.552 -14.320 1.00 15.47 N ATOM 727 CA GLY B 44 -2.667 -2.612 -14.696 1.00 17.41 C ATOM 728 C GLY B 44 -1.287 -3.216 -14.635 1.00 15.91 C ATOM 729 O GLY B 44 -1.124 -4.386 -14.300 1.00 15.73 O ATOM 730 H GLY B 44 -3.410 -4.520 -14.046 1.00 0.00 H ATOM 731 N TRP B 45 -0.289 -2.370 -14.884 1.00 16.09 N ATOM 732 CA TRP B 45 1.120 -2.716 -15.165 1.00 17.17 C ATOM 733 C TRP B 45 1.958 -1.597 -14.589 1.00 17.18 C ATOM 734 O TRP B 45 1.523 -0.440 -14.565 1.00 17.65 O ATOM 735 CB TRP B 45 1.359 -2.772 -16.690 1.00 18.59 C ATOM 736 H TRP B 45 -0.527 -1.358 -14.880 1.00 0.00 H ATOM 737 N TYR B 46 3.157 -1.918 -14.100 1.00 17.49 N ATOM 738 CA TYR B 46 4.192 -0.910 -13.788 1.00 17.58 C ATOM 739 C TYR B 46 5.604 -1.499 -14.012 1.00 17.03 C ATOM 740 O TYR B 46 5.782 -2.697 -14.047 1.00 16.30 O ATOM 741 CB TYR B 46 4.048 -0.340 -12.377 1.00 17.50 C ATOM 742 CG TYR B 46 4.402 -1.288 -11.234 1.00 16.38 C ATOM 743 CD1 TYR B 46 3.564 -2.349 -10.909 1.00 16.46 C ATOM 744 CD2 TYR B 46 5.619 -1.176 -10.518 1.00 14.68 C ATOM 745 CE1 TYR B 46 3.883 -3.215 -9.900 1.00 16.40 C ATOM 746 CE2 TYR B 46 5.911 -2.055 -9.474 1.00 16.62 C ATOM 747 CZ TYR B 46 5.031 -3.097 -9.213 1.00 14.90 C ATOM 748 OH TYR B 46 5.364 -3.945 -8.200 1.00 17.03 O ATOM 749 HH TYR B 46 5.434 -3.435 -7.354 1.00 0.00 H ATOM 750 H TYR B 46 3.373 -2.921 -13.931 1.00 0.00 H ATOM 751 N CYS B 47 6.572 -0.616 -14.172 1.00 17.31 N ATOM 752 CA CYS B 47 7.924 -1.055 -14.333 1.00 20.22 C ATOM 753 C CYS B 47 8.862 -0.032 -13.708 1.00 18.40 C ATOM 754 O CYS B 47 8.788 1.171 -13.970 1.00 16.83 O ATOM 755 CB CYS B 47 8.145 -1.304 -15.850 1.00 24.08 C ATOM 756 SG CYS B 47 9.460 -0.449 -16.752 1.00 42.67 S ATOM 757 H CYS B 47 6.351 0.400 -14.181 1.00 0.00 H ATOM 758 N THR B 48 9.769 -0.555 -12.904 1.00 16.58 N ATOM 759 CA THR B 48 10.820 0.193 -12.266 1.00 16.62 C ATOM 760 C THR B 48 12.075 -0.610 -12.366 1.00 15.27 C ATOM 761 O THR B 48 12.042 -1.762 -12.724 1.00 15.34 O ATOM 762 CB THR B 48 10.533 0.427 -10.754 1.00 17.28 C ATOM 763 OG1 THR B 48 10.548 -0.811 -10.031 1.00 17.90 O ATOM 764 CG2 THR B 48 9.211 1.190 -10.544 1.00 17.76 C ATOM 765 HG1 THR B 48 10.363 -0.635 -9.074 1.00 0.00 H ATOM 766 H THR B 48 9.721 -1.577 -12.719 1.00 0.00 H ATOM 767 N ASN B 49 13.211 -0.054 -11.994 1.00 15.13 N ATOM 768 CA ASN B 49 14.448 -0.850 -12.015 1.00 16.96 C ATOM 769 C ASN B 49 14.403 -2.051 -11.098 1.00 18.70 C ATOM 770 O ASN B 49 14.959 -3.060 -11.430 1.00 15.78 O ATOM 771 CB ASN B 49 15.648 0.046 -11.716 1.00 18.56 C ATOM 772 CG ASN B 49 16.016 0.959 -12.895 1.00 19.30 C ATOM 773 OD1 ASN B 49 15.147 1.549 -13.535 1.00 20.45 O ATOM 774 ND2 ASN B 49 17.322 1.053 -13.202 1.00 21.22 N ATOM 775 HD22 ASN B 49 18.027 0.539 -12.637 1.00 0.00 H ATOM 776 HD21 ASN B 49 17.627 1.640 -14.005 1.00 0.00 H ATOM 777 H ASN B 49 13.233 0.940 -11.688 1.00 0.00 H ATOM 778 N LEU B 50 13.820 -1.875 -9.917 1.00 18.70 N ATOM 779 CA LEU B 50 13.676 -2.958 -8.943 1.00 20.57 C ATOM 780 C LEU B 50 12.661 -3.964 -9.371 1.00 18.76 C ATOM 781 O LEU B 50 12.787 -5.163 -9.050 1.00 19.41 O ATOM 782 CB LEU B 50 13.182 -2.360 -7.674 1.00 24.61 C ATOM 783 CG LEU B 50 12.989 -3.277 -6.492 1.00 28.46 C ATOM 784 CD1 LEU B 50 14.364 -3.767 -6.059 1.00 31.23 C ATOM 785 CD2 LEU B 50 12.294 -2.469 -5.356 1.00 29.62 C ATOM 786 H LEU B 50 13.452 -0.933 -9.676 1.00 0.00 H ATOM 787 N THR B 51 11.631 -3.490 -10.069 1.00 15.85 N ATOM 788 CA THR B 51 10.554 -4.361 -10.552 1.00 18.55 C ATOM 789 C THR B 51 10.226 -4.095 -12.025 1.00 18.24 C ATOM 790 O THR B 51 9.278 -3.345 -12.395 1.00 18.24 O ATOM 791 CB THR B 51 9.295 -4.183 -9.697 1.00 19.51 C ATOM 792 OG1 THR B 51 9.571 -4.459 -8.335 1.00 20.67 O ATOM 793 CG2 THR B 51 8.250 -5.177 -10.153 1.00 20.82 C ATOM 794 HG1 THR B 51 9.889 -5.392 -8.247 1.00 0.00 H ATOM 795 H THR B 51 11.589 -2.472 -10.278 1.00 0.00 H ATOM 796 N PRO B 52 11.042 -4.676 -12.907 1.00 19.64 N ATOM 797 CA PRO B 52 10.931 -4.250 -14.305 1.00 19.03 C ATOM 798 C PRO B 52 9.656 -4.812 -14.941 1.00 18.68 C ATOM 799 O PRO B 52 9.278 -4.372 -16.031 1.00 21.16 O ATOM 800 CB PRO B 52 12.157 -4.883 -14.981 1.00 20.27 C ATOM 801 CG PRO B 52 12.642 -5.855 -14.053 1.00 21.86 C ATOM 802 CD PRO B 52 12.294 -5.420 -12.674 1.00 19.94 C ATOM 803 N GLU B 53 9.025 -5.800 -14.309 1.00 16.80 N ATOM 804 CA GLU B 53 7.729 -6.300 -14.803 1.00 16.12 C ATOM 805 C GLU B 53 6.795 -6.481 -13.625 1.00 17.43 C ATOM 806 O GLU B 53 6.898 -7.447 -12.905 1.00 15.83 O ATOM 807 CB GLU B 53 7.831 -7.636 -15.568 1.00 17.80 C ATOM 808 CG GLU B 53 6.524 -7.969 -16.331 1.00 18.54 C ATOM 809 CD GLU B 53 6.524 -9.335 -16.981 1.00 21.12 C ATOM 810 OE1 GLU B 53 7.641 -9.864 -17.193 1.00 23.12 O ATOM 811 OE2 GLU B 53 5.443 -9.850 -17.312 1.00 19.47 O ATOM 812 H GLU B 53 9.450 -6.223 -13.459 1.00 0.00 H ATOM 813 N GLY B 54 5.901 -5.524 -13.435 1.00 16.40 N ATOM 814 CA GLY B 54 5.009 -5.485 -12.266 1.00 16.12 C ATOM 815 C GLY B 54 3.599 -5.405 -12.745 1.00 15.44 C ATOM 816 O GLY B 54 3.311 -4.862 -13.836 1.00 14.29 O ATOM 817 H GLY B 54 5.826 -4.766 -14.143 1.00 0.00 H ATOM 818 N TYR B 55 2.706 -5.824 -11.861 1.00 14.23 N ATOM 819 CA TYR B 55 1.245 -5.851 -12.148 1.00 14.35 C ATOM 820 C TYR B 55 0.402 -5.288 -11.006 1.00 13.61 C ATOM 821 O TYR B 55 0.761 -5.431 -9.837 1.00 14.34 O ATOM 822 CB TYR B 55 0.760 -7.284 -12.518 1.00 15.74 C ATOM 823 CG TYR B 55 1.339 -7.788 -13.813 1.00 15.87 C ATOM 824 CD1 TYR B 55 0.805 -7.398 -14.992 1.00 16.46 C ATOM 825 CD2 TYR B 55 2.526 -8.535 -13.811 1.00 18.49 C ATOM 826 CE1 TYR B 55 1.363 -7.811 -16.223 1.00 17.24 C ATOM 827 CE2 TYR B 55 3.090 -8.976 -14.990 1.00 19.15 C ATOM 828 CZ TYR B 55 2.547 -8.591 -16.192 1.00 19.79 C ATOM 829 OH TYR B 55 3.140 -9.068 -17.353 1.00 17.89 O ATOM 830 HH TYR B 55 4.083 -8.770 -17.387 1.00 0.00 H ATOM 831 H TYR B 55 3.038 -6.147 -10.930 1.00 0.00 H ATOM 832 N ALA B 56 -0.638 -4.537 -11.360 1.00 12.76 N ATOM 833 CA ALA B 56 -1.703 -4.132 -10.399 1.00 14.16 C ATOM 834 C ALA B 56 -2.827 -5.152 -10.458 1.00 14.38 C ATOM 835 O ALA B 56 -3.237 -5.467 -11.579 1.00 14.80 O ATOM 836 CB ALA B 56 -2.238 -2.769 -10.730 1.00 14.19 C ATOM 837 H ALA B 56 -0.711 -4.220 -12.348 1.00 0.00 H ATOM 838 N VAL B 57 -3.283 -5.670 -9.288 1.00 13.98 N ATOM 839 CA VAL B 57 -4.267 -6.712 -9.180 1.00 13.29 C ATOM 840 C VAL B 57 -5.380 -6.183 -8.285 1.00 13.12 C ATOM 841 O VAL B 57 -5.096 -5.764 -7.182 1.00 12.63 O ATOM 842 CB VAL B 57 -3.655 -7.977 -8.593 1.00 14.34 C ATOM 843 CG1 VAL B 57 -4.692 -9.127 -8.497 1.00 14.95 C ATOM 844 CG2 VAL B 57 -2.381 -8.342 -9.407 1.00 15.50 C ATOM 845 H VAL B 57 -2.891 -5.284 -8.405 1.00 0.00 H ATOM 846 N GLU B 58 -6.603 -6.123 -8.805 1.00 12.02 N ATOM 847 CA GLU B 58 -7.773 -5.677 -8.070 1.00 14.30 C ATOM 848 C GLU B 58 -8.315 -6.907 -7.349 1.00 13.36 C ATOM 849 O GLU B 58 -8.573 -7.978 -7.991 1.00 11.82 O ATOM 850 CB GLU B 58 -8.840 -5.110 -8.959 1.00 14.57 C ATOM 851 CG GLU B 58 -10.033 -4.611 -8.179 1.00 14.53 C ATOM 852 CD GLU B 58 -11.154 -3.996 -8.992 1.00 16.08 C ATOM 853 OE1 GLU B 58 -11.128 -4.040 -10.242 1.00 16.71 O ATOM 854 OE2 GLU B 58 -12.105 -3.461 -8.357 1.00 15.48 O ATOM 855 H GLU B 58 -6.728 -6.413 -9.796 1.00 0.00 H ATOM 856 N SER B 59 -8.477 -6.827 -6.052 1.00 13.63 N ATOM 857 CA SER B 59 -9.061 -7.954 -5.337 1.00 13.74 C ATOM 858 C SER B 59 -10.485 -8.323 -5.800 1.00 14.06 C ATOM 859 O SER B 59 -11.340 -7.482 -5.969 1.00 13.70 O ATOM 860 CB SER B 59 -9.066 -7.707 -3.836 1.00 14.79 C ATOM 861 OG SER B 59 -9.745 -8.741 -3.094 1.00 13.92 O ATOM 862 HG SER B 59 -9.297 -9.609 -3.254 1.00 0.00 H ATOM 863 H SER B 59 -8.192 -5.969 -5.538 1.00 0.00 H ATOM 864 N GLU B 60 -10.665 -9.623 -5.997 1.00 15.72 N ATOM 865 CA GLU B 60 -11.982 -10.211 -6.214 1.00 17.06 C ATOM 866 C GLU B 60 -12.859 -10.277 -4.990 1.00 17.60 C ATOM 867 O GLU B 60 -14.084 -10.448 -5.086 1.00 19.33 O ATOM 868 CB GLU B 60 -11.823 -11.563 -6.913 1.00 17.12 C ATOM 869 CG GLU B 60 -11.192 -12.682 -6.158 1.00 17.37 C ATOM 870 CD GLU B 60 -10.927 -13.896 -7.057 1.00 20.39 C ATOM 871 OE1 GLU B 60 -10.667 -13.785 -8.305 1.00 22.58 O ATOM 872 OE2 GLU B 60 -10.980 -14.980 -6.460 1.00 19.74 O ATOM 873 H GLU B 60 -9.833 -10.248 -5.997 1.00 0.00 H ATOM 874 N ALA B 61 -12.268 -10.194 -3.823 1.00 14.51 N ATOM 875 CA ALA B 61 -13.007 -10.278 -2.592 1.00 16.31 C ATOM 876 C ALA B 61 -13.355 -8.898 -2.092 1.00 17.45 C ATOM 877 O ALA B 61 -14.387 -8.711 -1.407 1.00 16.58 O ATOM 878 CB ALA B 61 -12.206 -11.034 -1.547 1.00 16.55 C ATOM 879 H ALA B 61 -11.237 -10.064 -3.786 1.00 0.00 H ATOM 880 N HIS B 62 -12.505 -7.929 -2.444 1.00 15.20 N ATOM 881 CA HIS B 62 -12.570 -6.568 -1.951 1.00 15.37 C ATOM 882 C HIS B 62 -12.577 -5.596 -3.141 1.00 14.35 C ATOM 883 O HIS B 62 -11.547 -4.998 -3.475 1.00 14.41 O ATOM 884 CB HIS B 62 -11.419 -6.170 -1.015 1.00 14.79 C ATOM 885 CG HIS B 62 -11.253 -7.037 0.173 1.00 15.14 C ATOM 886 ND1 HIS B 62 -12.290 -7.332 1.031 1.00 15.89 N ATOM 887 CD2 HIS B 62 -10.161 -7.693 0.644 1.00 15.52 C ATOM 888 CE1 HIS B 62 -11.829 -8.095 2.017 1.00 14.88 C ATOM 889 NE2 HIS B 62 -10.543 -8.333 1.790 1.00 15.28 N ATOM 890 H HIS B 62 -11.747 -8.167 -3.116 1.00 0.00 H ATOM 891 N PRO B 63 -13.731 -5.461 -3.810 1.00 15.28 N ATOM 892 CA PRO B 63 -13.699 -4.648 -5.017 1.00 14.02 C ATOM 893 C PRO B 63 -13.257 -3.204 -4.780 1.00 14.32 C ATOM 894 O PRO B 63 -13.592 -2.620 -3.739 1.00 15.31 O ATOM 895 CB PRO B 63 -15.167 -4.656 -5.515 1.00 15.05 C ATOM 896 CG PRO B 63 -15.873 -5.702 -4.715 1.00 14.92 C ATOM 897 CD PRO B 63 -14.996 -6.156 -3.610 1.00 15.94 C ATOM 898 N GLY B 64 -12.469 -2.681 -5.713 1.00 14.74 N ATOM 899 CA GLY B 64 -11.896 -1.345 -5.654 1.00 14.90 C ATOM 900 C GLY B 64 -10.471 -1.316 -5.049 1.00 14.03 C ATOM 901 O GLY B 64 -9.721 -0.330 -5.210 1.00 15.29 O ATOM 902 H GLY B 64 -12.246 -3.267 -6.543 1.00 0.00 H ATOM 903 N SER B 65 -10.120 -2.354 -4.254 1.00 13.57 N ATOM 904 CA SER B 65 -8.830 -2.375 -3.601 1.00 13.04 C ATOM 905 C SER B 65 -7.871 -3.031 -4.559 1.00 13.23 C ATOM 906 O SER B 65 -8.131 -4.100 -5.064 1.00 12.76 O ATOM 907 CB SER B 65 -8.804 -3.082 -2.204 1.00 12.96 C ATOM 908 OG SER B 65 -9.465 -2.234 -1.278 1.00 16.46 O ATOM 909 HG SER B 65 -9.463 -2.659 -0.384 1.00 0.00 H ATOM 910 H SER B 65 -10.783 -3.142 -4.112 1.00 0.00 H ATOM 911 N VAL B 66 -6.737 -2.358 -4.743 1.00 15.08 N ATOM 912 CA VAL B 66 -5.744 -2.762 -5.723 1.00 14.76 C ATOM 913 C VAL B 66 -4.398 -2.841 -5.032 1.00 15.92 C ATOM 914 O VAL B 66 -4.027 -1.931 -4.262 1.00 14.86 O ATOM 915 CB VAL B 66 -5.668 -1.759 -6.886 1.00 14.88 C ATOM 916 CG1 VAL B 66 -4.560 -2.142 -7.859 1.00 15.82 C ATOM 917 CG2 VAL B 66 -7.019 -1.747 -7.565 1.00 14.87 C ATOM 918 H VAL B 66 -6.556 -1.513 -4.164 1.00 0.00 H ATOM 919 N GLN B 67 -3.676 -3.941 -5.253 1.00 14.39 N ATOM 920 CA GLN B 67 -2.256 -4.030 -4.817 1.00 14.85 C ATOM 921 C GLN B 67 -1.375 -4.311 -5.998 1.00 14.84 C ATOM 922 O GLN B 67 -1.815 -4.803 -7.057 1.00 16.17 O ATOM 923 CB GLN B 67 -2.062 -5.076 -3.722 1.00 19.04 C ATOM 924 CG GLN B 67 -2.832 -4.777 -2.441 1.00 25.68 C ATOM 925 CD GLN B 67 -1.995 -4.394 -1.230 1.00 40.82 C ATOM 926 OE1 GLN B 67 -1.202 -3.406 -1.261 1.00 47.97 O ATOM 927 NE2 GLN B 67 -2.207 -5.141 -0.102 1.00 48.06 N ATOM 928 HE22 GLN B 67 -2.868 -5.943 -0.126 1.00 0.00 H ATOM 929 HE21 GLN B 67 -1.707 -4.906 0.779 1.00 0.00 H ATOM 930 H GLN B 67 -4.113 -4.750 -5.738 1.00 0.00 H ATOM 931 N ILE B 68 -0.113 -3.964 -5.838 1.00 14.80 N ATOM 932 CA ILE B 68 0.837 -4.115 -6.966 1.00 15.89 C ATOM 933 C ILE B 68 1.974 -5.047 -6.526 1.00 15.10 C ATOM 934 O ILE B 68 2.498 -4.955 -5.373 1.00 13.46 O ATOM 935 CB ILE B 68 1.402 -2.779 -7.489 1.00 16.63 C ATOM 936 CG1 ILE B 68 2.103 -1.953 -6.368 1.00 20.30 C ATOM 937 CG2 ILE B 68 0.343 -1.902 -8.003 1.00 16.65 C ATOM 938 CD1 ILE B 68 2.767 -0.645 -6.810 1.00 21.55 C ATOM 939 H ILE B 68 0.214 -3.587 -4.926 1.00 0.00 H ATOM 940 N TYR B 69 2.389 -5.884 -7.464 1.00 14.53 N ATOM 941 CA TYR B 69 3.366 -6.982 -7.213 1.00 15.64 C ATOM 942 C TYR B 69 4.296 -7.218 -8.421 1.00 15.47 C ATOM 943 O TYR B 69 3.849 -7.062 -9.563 1.00 15.17 O ATOM 944 CB TYR B 69 2.684 -8.334 -6.887 1.00 16.28 C ATOM 945 CG TYR B 69 1.758 -8.269 -5.695 1.00 16.09 C ATOM 946 CD1 TYR B 69 2.238 -8.163 -4.353 1.00 18.40 C ATOM 947 CD2 TYR B 69 0.386 -8.184 -5.912 1.00 17.05 C ATOM 948 CE1 TYR B 69 1.338 -8.026 -3.288 1.00 18.21 C ATOM 949 CE2 TYR B 69 -0.492 -8.112 -4.874 1.00 18.41 C ATOM 950 CZ TYR B 69 -0.011 -8.031 -3.555 1.00 19.10 C ATOM 951 OH TYR B 69 -0.952 -7.911 -2.537 1.00 19.82 O ATOM 952 HH TYR B 69 -0.488 -7.864 -1.664 1.00 0.00 H ATOM 953 H TYR B 69 2.014 -5.770 -8.427 1.00 0.00 H ATOM 954 N PRO B 70 5.557 -7.641 -8.164 1.00 15.13 N ATOM 955 CA PRO B 70 6.406 -8.083 -9.263 1.00 16.51 C ATOM 956 C PRO B 70 5.803 -9.373 -9.845 1.00 17.48 C ATOM 957 O PRO B 70 5.141 -10.119 -9.121 1.00 16.22 O ATOM 958 CB PRO B 70 7.777 -8.363 -8.584 1.00 16.54 C ATOM 959 CG PRO B 70 7.743 -7.651 -7.301 1.00 18.75 C ATOM 960 CD PRO B 70 6.280 -7.664 -6.872 1.00 17.26 C ATOM 961 N VAL B 71 6.013 -9.575 -11.126 1.00 17.56 N ATOM 962 CA VAL B 71 5.529 -10.755 -11.847 1.00 18.92 C ATOM 963 C VAL B 71 5.893 -12.062 -11.177 1.00 19.15 C ATOM 964 O VAL B 71 5.051 -12.922 -11.091 1.00 17.48 O ATOM 965 CB VAL B 71 5.950 -10.750 -13.348 1.00 21.01 C ATOM 966 CG1 VAL B 71 7.446 -10.844 -13.480 1.00 20.82 C ATOM 967 CG2 VAL B 71 5.288 -11.833 -14.141 1.00 21.94 C ATOM 968 H VAL B 71 6.551 -8.860 -11.656 1.00 0.00 H ATOM 969 N ALA B 72 7.088 -12.149 -10.633 1.00 18.64 N ATOM 970 CA ALA B 72 7.528 -13.394 -9.949 1.00 20.53 C ATOM 971 C ALA B 72 6.706 -13.758 -8.716 1.00 18.21 C ATOM 972 O ALA B 72 6.689 -14.934 -8.293 1.00 17.85 O ATOM 973 CB ALA B 72 8.988 -13.289 -9.625 1.00 23.64 C ATOM 974 H ALA B 72 7.734 -11.335 -10.682 1.00 0.00 H ATOM 975 N ALA B 73 6.015 -12.793 -8.119 1.00 16.38 N ATOM 976 CA ALA B 73 5.169 -13.033 -7.014 1.00 15.41 C ATOM 977 C ALA B 73 3.830 -13.648 -7.401 1.00 15.02 C ATOM 978 O ALA B 73 3.099 -14.013 -6.483 1.00 14.65 O ATOM 979 CB ALA B 73 4.900 -11.751 -6.233 1.00 15.75 C ATOM 980 H ALA B 73 6.101 -11.821 -8.480 1.00 0.00 H ATOM 981 N LEU B 74 3.473 -13.629 -8.686 1.00 13.89 N ATOM 982 CA LEU B 74 2.115 -13.938 -9.109 1.00 15.31 C ATOM 983 C LEU B 74 2.021 -15.161 -9.981 1.00 17.45 C ATOM 984 O LEU B 74 2.984 -15.478 -10.673 1.00 18.92 O ATOM 985 CB LEU B 74 1.482 -12.748 -9.815 1.00 16.57 C ATOM 986 CG LEU B 74 1.303 -11.396 -9.032 1.00 14.71 C ATOM 987 CD1 LEU B 74 1.052 -10.282 -10.050 1.00 15.01 C ATOM 988 CD2 LEU B 74 0.258 -11.536 -7.981 1.00 15.45 C ATOM 989 H LEU B 74 4.184 -13.387 -9.405 1.00 0.00 H ATOM 990 N GLU B 75 0.863 -15.815 -9.917 1.00 18.79 N ATOM 991 CA GLU B 75 0.592 -16.878 -10.816 1.00 21.58 C ATOM 992 C GLU B 75 -0.834 -16.808 -11.290 1.00 20.46 C ATOM 993 O GLU B 75 -1.750 -16.427 -10.583 1.00 14.82 O ATOM 994 CB GLU B 75 0.972 -18.231 -10.172 1.00 23.58 C ATOM 995 CG GLU B 75 0.032 -18.617 -9.064 1.00 24.74 C ATOM 996 CD GLU B 75 0.546 -19.775 -8.204 1.00 29.80 C ATOM 997 OE1 GLU B 75 1.584 -20.373 -8.555 1.00 36.44 O ATOM 998 OE2 GLU B 75 -0.124 -20.117 -7.197 1.00 30.19 O ATOM 999 H GLU B 75 0.154 -15.545 -9.205 1.00 0.00 H ATOM 1000 N ARG B 76 -1.016 -17.165 -12.553 1.00 18.32 N ATOM 1001 CA ARG B 76 -2.346 -17.173 -13.210 1.00 20.23 C ATOM 1002 C ARG B 76 -3.197 -18.401 -12.787 1.00 21.73 C ATOM 1003 O ARG B 76 -2.663 -19.491 -12.599 1.00 20.71 O ATOM 1004 CB ARG B 76 -2.170 -17.074 -14.745 1.00 19.25 C ATOM 1005 CG ARG B 76 -3.507 -16.825 -15.423 1.00 20.25 C ATOM 1006 CD ARG B 76 -3.282 -16.384 -16.870 1.00 21.40 C ATOM 1007 NE ARG B 76 -2.493 -17.330 -17.653 1.00 22.61 N ATOM 1008 CZ ARG B 76 -2.961 -18.331 -18.403 1.00 22.56 C ATOM 1009 NH1 ARG B 76 -4.269 -18.542 -18.543 1.00 22.42 N ATOM 1010 NH2 ARG B 76 -2.082 -19.085 -19.064 1.00 20.42 N ATOM 1011 HE ARG B 76 -1.460 -17.212 -17.624 1.00 0.00 H ATOM 1012 HH12 ARG B 76 -4.609 -19.328 -19.133 1.00 0.00 H ATOM 1013 HH11 ARG B 76 -4.950 -17.920 -18.063 1.00 0.00 H ATOM 1014 HH22 ARG B 76 -2.414 -19.872 -19.657 1.00 0.00 H ATOM 1015 HH21 ARG B 76 -1.064 -18.886 -18.987 1.00 0.00 H ATOM 1016 H ARG B 76 -0.187 -17.453 -13.110 1.00 0.00 H ATOM 1017 N ILE B 77 -4.515 -18.259 -12.587 1.00 21.50 N ATOM 1018 CA ILE B 77 -5.320 -19.403 -12.135 1.00 20.68 C ATOM 1019 C ILE B 77 -6.521 -19.566 -13.065 1.00 24.41 C ATOM 1020 O ILE B 77 -6.873 -18.566 -13.716 1.00 24.93 O ATOM 1021 CB ILE B 77 -5.722 -19.288 -10.599 1.00 20.94 C ATOM 1022 CG1 ILE B 77 -6.459 -17.965 -10.345 1.00 20.86 C ATOM 1023 CG2 ILE B 77 -4.474 -19.434 -9.695 1.00 22.18 C ATOM 1024 CD1 ILE B 77 -7.050 -17.760 -8.977 1.00 19.46 C ATOM 1025 H ILE B 77 -4.969 -17.338 -12.752 1.00 0.00 H TER 1026 ILE B 77 ATOM 1027 N ALA C 22 -9.852 5.072 22.147 1.00 46.73 N ATOM 1028 CA ALA C 22 -9.707 4.172 20.901 1.00 41.86 C ATOM 1029 C ALA C 22 -11.048 3.569 20.492 1.00 35.07 C ATOM 1030 O ALA C 22 -11.743 2.939 21.301 1.00 34.13 O ATOM 1031 CB ALA C 22 -8.684 3.066 21.072 1.00 37.92 C ATOM 1032 HN3 ALA C 22 -10.217 4.507 22.940 1.00 0.00 H ATOM 1033 HN2 ALA C 22 -10.514 5.847 21.938 1.00 0.00 H ATOM 1034 HN1 ALA C 22 -8.923 5.466 22.399 1.00 0.00 H ATOM 1035 N THR C 23 -11.427 3.796 19.233 1.00 30.09 N ATOM 1036 CA THR C 23 -12.716 3.362 18.725 1.00 30.19 C ATOM 1037 C THR C 23 -12.738 1.836 18.609 1.00 27.57 C ATOM 1038 O THR C 23 -13.763 1.163 18.850 1.00 25.32 O ATOM 1039 CB THR C 23 -12.963 4.044 17.368 1.00 29.61 C ATOM 1040 OG1 THR C 23 -12.903 5.466 17.559 1.00 32.35 O ATOM 1041 CG2 THR C 23 -14.303 3.658 16.704 1.00 29.75 C ATOM 1042 HG1 THR C 23 -13.060 5.921 16.694 1.00 0.00 H ATOM 1043 H THR C 23 -10.778 4.300 18.595 1.00 0.00 H ATOM 1044 N PHE C 24 -11.595 1.285 18.216 1.00 22.35 N ATOM 1045 CA PHE C 24 -11.527 -0.124 17.988 1.00 20.49 C ATOM 1046 C PHE C 24 -10.358 -0.675 18.743 1.00 21.98 C ATOM 1047 O PHE C 24 -9.404 0.007 19.069 1.00 22.46 O ATOM 1048 CB PHE C 24 -11.356 -0.487 16.484 1.00 20.55 C ATOM 1049 CG PHE C 24 -12.307 0.186 15.536 1.00 23.22 C ATOM 1050 CD1 PHE C 24 -13.650 -0.007 15.636 1.00 19.74 C ATOM 1051 CD2 PHE C 24 -11.815 0.928 14.452 1.00 20.59 C ATOM 1052 CE1 PHE C 24 -14.511 0.571 14.725 1.00 21.87 C ATOM 1053 CE2 PHE C 24 -12.659 1.508 13.554 1.00 20.86 C ATOM 1054 CZ PHE C 24 -14.003 1.341 13.674 1.00 19.82 C ATOM 1055 H PHE C 24 -10.752 1.877 18.075 1.00 0.00 H ATOM 1056 N GLY C 25 -10.455 -1.962 18.979 1.00 23.78 N ATOM 1057 CA GLY C 25 -9.426 -2.737 19.613 1.00 23.97 C ATOM 1058 C GLY C 25 -9.012 -3.929 18.804 1.00 22.36 C ATOM 1059 O GLY C 25 -9.670 -4.373 17.837 1.00 18.34 O ATOM 1060 H GLY C 25 -11.327 -2.449 18.690 1.00 0.00 H ATOM 1061 N MET C 26 -7.918 -4.473 19.228 1.00 22.06 N ATOM 1062 CA MET C 26 -7.333 -5.614 18.561 1.00 24.17 C ATOM 1063 C MET C 26 -8.337 -6.733 18.412 1.00 25.24 C ATOM 1064 O MET C 26 -9.009 -7.131 19.354 1.00 22.33 O ATOM 1065 CB MET C 26 -6.086 -6.144 19.302 1.00 24.34 C ATOM 1066 CG MET C 26 -4.843 -5.253 19.217 1.00 26.73 C ATOM 1067 SD MET C 26 -4.044 -5.169 17.591 1.00 26.12 S ATOM 1068 CE MET C 26 -2.543 -6.167 17.829 1.00 26.97 C ATOM 1069 H MET C 26 -7.448 -4.080 20.069 1.00 0.00 H ATOM 1070 N GLY C 27 -8.417 -7.241 17.213 1.00 22.01 N ATOM 1071 CA GLY C 27 -9.311 -8.313 16.920 1.00 22.38 C ATOM 1072 C GLY C 27 -10.702 -7.916 16.525 1.00 20.61 C ATOM 1073 O GLY C 27 -11.477 -8.778 16.055 1.00 19.85 O ATOM 1074 H GLY C 27 -7.817 -6.857 16.456 1.00 0.00 H ATOM 1075 N ASP C 28 -11.073 -6.651 16.668 1.00 18.62 N ATOM 1076 CA ASP C 28 -12.401 -6.243 16.160 1.00 17.33 C ATOM 1077 C ASP C 28 -12.495 -6.525 14.694 1.00 18.56 C ATOM 1078 O ASP C 28 -11.560 -6.283 13.945 1.00 18.42 O ATOM 1079 CB ASP C 28 -12.693 -4.732 16.318 1.00 16.16 C ATOM 1080 CG ASP C 28 -13.046 -4.318 17.764 1.00 19.13 C ATOM 1081 OD1 ASP C 28 -13.488 -5.131 18.538 1.00 20.25 O ATOM 1082 OD2 ASP C 28 -12.929 -3.144 18.106 1.00 18.21 O ATOM 1083 H ASP C 28 -10.444 -5.961 17.127 1.00 0.00 H ATOM 1084 N ARG C 29 -13.662 -6.923 14.259 1.00 16.97 N ATOM 1085 CA ARG C 29 -13.920 -7.132 12.826 1.00 17.78 C ATOM 1086 C ARG C 29 -14.506 -5.844 12.302 1.00 18.12 C ATOM 1087 O ARG C 29 -15.516 -5.326 12.873 1.00 17.07 O ATOM 1088 CB ARG C 29 -14.900 -8.264 12.625 1.00 18.63 C ATOM 1089 CG ARG C 29 -14.887 -8.814 11.229 1.00 22.20 C ATOM 1090 CD ARG C 29 -16.136 -9.676 10.966 1.00 26.45 C ATOM 1091 NE ARG C 29 -16.185 -10.290 9.646 1.00 25.59 N ATOM 1092 CZ ARG C 29 -17.235 -10.979 9.229 1.00 28.59 C ATOM 1093 NH1 ARG C 29 -18.359 -11.085 9.989 1.00 30.33 N ATOM 1094 NH2 ARG C 29 -17.164 -11.604 8.071 1.00 28.09 N ATOM 1095 HE ARG C 29 -15.368 -10.183 9.011 1.00 0.00 H ATOM 1096 HH12 ARG C 29 -19.172 -11.632 9.641 1.00 0.00 H ATOM 1097 HH11 ARG C 29 -18.405 -10.619 10.918 1.00 0.00 H ATOM 1098 HH22 ARG C 29 -17.978 -12.151 7.725 1.00 0.00 H ATOM 1099 HH21 ARG C 29 -16.294 -11.550 7.503 1.00 0.00 H ATOM 1100 H ARG C 29 -14.426 -7.096 14.943 1.00 0.00 H ATOM 1101 N VAL C 30 -13.862 -5.295 11.281 1.00 16.54 N ATOM 1102 CA VAL C 30 -14.264 -4.036 10.661 1.00 15.17 C ATOM 1103 C VAL C 30 -14.256 -4.094 9.178 1.00 17.06 C ATOM 1104 O VAL C 30 -13.728 -5.056 8.574 1.00 13.19 O ATOM 1105 CB VAL C 30 -13.284 -2.887 11.123 1.00 16.46 C ATOM 1106 CG1 VAL C 30 -13.315 -2.679 12.617 1.00 15.72 C ATOM 1107 CG2 VAL C 30 -11.871 -3.079 10.565 1.00 15.44 C ATOM 1108 H VAL C 30 -13.027 -5.787 10.902 1.00 0.00 H ATOM 1109 N ARG C 31 -14.931 -3.117 8.596 1.00 14.95 N ATOM 1110 CA ARG C 31 -14.912 -2.936 7.160 1.00 16.58 C ATOM 1111 C ARG C 31 -14.830 -1.521 6.745 1.00 15.27 C ATOM 1112 O ARG C 31 -15.217 -0.630 7.500 1.00 15.96 O ATOM 1113 CB ARG C 31 -16.145 -3.545 6.525 1.00 16.86 C ATOM 1114 CG ARG C 31 -17.442 -2.802 6.876 1.00 20.07 C ATOM 1115 CD ARG C 31 -18.578 -3.555 6.218 1.00 22.35 C ATOM 1116 NE ARG C 31 -19.807 -2.806 6.450 1.00 29.39 N ATOM 1117 CZ ARG C 31 -21.054 -3.321 6.460 1.00 39.74 C ATOM 1118 NH1 ARG C 31 -22.121 -2.533 6.740 1.00 38.95 N ATOM 1119 NH2 ARG C 31 -21.271 -4.618 6.200 1.00 43.73 N ATOM 1120 HE ARG C 31 -19.714 -1.785 6.623 1.00 0.00 H ATOM 1121 HH12 ARG C 31 -23.079 -2.938 6.746 1.00 0.00 H ATOM 1122 HH11 ARG C 31 -21.982 -1.524 6.949 1.00 0.00 H ATOM 1123 HH22 ARG C 31 -22.240 -4.996 6.213 1.00 0.00 H ATOM 1124 HH21 ARG C 31 -20.471 -5.246 5.986 1.00 0.00 H ATOM 1125 H ARG C 31 -15.488 -2.464 9.183 1.00 0.00 H ATOM 1126 N LYS C 32 -14.316 -1.276 5.539 1.00 16.09 N ATOM 1127 CA LYS C 32 -14.407 0.012 4.922 1.00 15.83 C ATOM 1128 C LYS C 32 -15.859 0.448 4.693 1.00 16.71 C ATOM 1129 O LYS C 32 -16.685 -0.330 4.215 1.00 17.49 O ATOM 1130 CB LYS C 32 -13.619 0.067 3.600 1.00 18.95 C ATOM 1131 CG LYS C 32 -12.120 0.119 3.737 1.00 21.16 C ATOM 1132 CD LYS C 32 -11.597 1.498 3.979 1.00 21.52 C ATOM 1133 CE LYS C 32 -11.255 2.318 2.681 1.00 21.24 C ATOM 1134 NZ LYS C 32 -12.375 2.524 1.720 1.00 18.74 N ATOM 1135 HZ1 LYS C 32 -12.724 1.600 1.393 1.00 0.00 H ATOM 1136 HZ2 LYS C 32 -13.145 3.040 2.192 1.00 0.00 H ATOM 1137 HZ3 LYS C 32 -12.035 3.075 0.906 1.00 0.00 H ATOM 1138 H LYS C 32 -13.834 -2.045 5.031 1.00 0.00 H ATOM 1139 N LYS C 33 -16.186 1.705 5.059 1.00 16.54 N ATOM 1140 CA LYS C 33 -17.522 2.191 4.920 1.00 16.77 C ATOM 1141 C LYS C 33 -17.903 2.481 3.489 1.00 18.37 C ATOM 1142 O LYS C 33 -19.107 2.396 3.143 1.00 21.34 O ATOM 1143 CB LYS C 33 -17.703 3.514 5.664 1.00 19.25 C ATOM 1144 CG LYS C 33 -17.765 3.364 7.159 1.00 23.50 C ATOM 1145 CD LYS C 33 -17.717 4.769 7.760 1.00 27.27 C ATOM 1146 CE LYS C 33 -17.868 4.760 9.235 1.00 30.69 C ATOM 1147 NZ LYS C 33 -17.597 6.143 9.672 1.00 31.58 N ATOM 1148 HZ1 LYS C 33 -16.632 6.411 9.392 1.00 0.00 H ATOM 1149 HZ2 LYS C 33 -18.281 6.787 9.225 1.00 0.00 H ATOM 1150 HZ3 LYS C 33 -17.688 6.203 10.706 1.00 0.00 H ATOM 1151 H LYS C 33 -15.453 2.331 5.449 1.00 0.00 H ATOM 1152 N SER C 34 -16.930 2.845 2.658 1.00 15.19 N ATOM 1153 CA SER C 34 -17.269 3.378 1.327 1.00 17.45 C ATOM 1154 C SER C 34 -16.030 3.288 0.433 1.00 19.28 C ATOM 1155 O SER C 34 -14.953 3.063 0.935 1.00 16.90 O ATOM 1156 CB SER C 34 -17.802 4.833 1.461 1.00 20.52 C ATOM 1157 OG SER C 34 -16.746 5.724 1.697 1.00 20.89 O ATOM 1158 HG SER C 34 -16.107 5.684 0.942 1.00 0.00 H ATOM 1159 H SER C 34 -15.935 2.754 2.946 1.00 0.00 H ATOM 1160 N GLY C 35 -16.185 3.451 -0.879 1.00 18.08 N ATOM 1161 CA GLY C 35 -15.041 3.380 -1.829 1.00 18.22 C ATOM 1162 C GLY C 35 -14.454 1.982 -1.901 1.00 15.98 C ATOM 1163 O GLY C 35 -15.199 0.978 -1.823 1.00 18.07 O ATOM 1164 H GLY C 35 -17.138 3.634 -1.253 1.00 0.00 H ATOM 1165 N ALA C 36 -13.122 1.902 -1.948 1.00 14.85 N ATOM 1166 CA ALA C 36 -12.438 0.638 -2.033 1.00 14.97 C ATOM 1167 C ALA C 36 -12.820 -0.217 -0.801 1.00 15.76 C ATOM 1168 O ALA C 36 -12.827 0.228 0.406 1.00 14.02 O ATOM 1169 CB ALA C 36 -10.932 0.877 -2.084 1.00 16.52 C ATOM 1170 H ALA C 36 -12.562 2.778 -1.922 1.00 0.00 H ATOM 1171 N ALA C 37 -13.191 -1.435 -1.053 1.00 14.97 N ATOM 1172 CA ALA C 37 -13.593 -2.364 -0.015 1.00 14.25 C ATOM 1173 C ALA C 37 -12.381 -2.985 0.723 1.00 16.44 C ATOM 1174 O ALA C 37 -11.285 -3.207 0.143 1.00 17.06 O ATOM 1175 CB ALA C 37 -14.383 -3.476 -0.647 1.00 15.38 C ATOM 1176 H ALA C 37 -13.200 -1.758 -2.041 1.00 0.00 H ATOM 1177 N TRP C 38 -12.597 -3.234 2.003 1.00 14.83 N ATOM 1178 CA TRP C 38 -11.656 -4.008 2.828 1.00 14.46 C ATOM 1179 C TRP C 38 -12.413 -4.525 4.072 1.00 14.79 C ATOM 1180 O TRP C 38 -13.300 -3.870 4.574 1.00 12.61 O ATOM 1181 CB TRP C 38 -10.520 -3.135 3.223 1.00 14.52 C ATOM 1182 CG TRP C 38 -9.381 -3.885 3.707 1.00 15.85 C ATOM 1183 CD1 TRP C 38 -9.063 -4.099 4.965 1.00 17.27 C ATOM 1184 CD2 TRP C 38 -8.355 -4.520 2.903 1.00 16.87 C ATOM 1185 NE1 TRP C 38 -7.891 -4.891 5.039 1.00 17.89 N ATOM 1186 CE2 TRP C 38 -7.431 -5.117 3.783 1.00 17.17 C ATOM 1187 CE3 TRP C 38 -8.119 -4.589 1.534 1.00 21.91 C ATOM 1188 CZ2 TRP C 38 -6.309 -5.805 3.363 1.00 20.49 C ATOM 1189 CZ3 TRP C 38 -6.975 -5.294 1.102 1.00 24.67 C ATOM 1190 CH2 TRP C 38 -6.092 -5.901 2.049 1.00 24.67 C ATOM 1191 HE1 TRP C 38 -7.454 -5.242 5.915 1.00 0.00 H ATOM 1192 H TRP C 38 -13.465 -2.869 2.444 1.00 0.00 H ATOM 1193 N GLN C 39 -12.150 -5.763 4.494 1.00 14.55 N ATOM 1194 CA GLN C 39 -12.835 -6.290 5.657 1.00 15.00 C ATOM 1195 C GLN C 39 -11.964 -7.331 6.305 1.00 15.90 C ATOM 1196 O GLN C 39 -11.297 -8.112 5.643 1.00 15.66 O ATOM 1197 CB GLN C 39 -14.131 -6.892 5.213 1.00 16.36 C ATOM 1198 CG GLN C 39 -15.009 -7.486 6.273 1.00 18.35 C ATOM 1199 CD GLN C 39 -16.419 -7.708 5.773 1.00 18.38 C ATOM 1200 OE1 GLN C 39 -17.073 -6.837 5.287 1.00 19.84 O ATOM 1201 NE2 GLN C 39 -16.844 -8.933 5.813 1.00 19.77 N ATOM 1202 HE22 GLN C 39 -16.254 -9.674 6.242 1.00 0.00 H ATOM 1203 HE21 GLN C 39 -17.774 -9.174 5.416 1.00 0.00 H ATOM 1204 H GLN C 39 -11.455 -6.349 3.989 1.00 0.00 H ATOM 1205 N GLY C 40 -11.919 -7.264 7.623 1.00 14.47 N ATOM 1206 CA GLY C 40 -11.189 -8.219 8.419 1.00 15.85 C ATOM 1207 C GLY C 40 -10.931 -7.694 9.800 1.00 15.89 C ATOM 1208 O GLY C 40 -11.692 -6.880 10.323 1.00 18.21 O ATOM 1209 H GLY C 40 -12.428 -6.495 8.104 1.00 0.00 H ATOM 1210 N GLN C 41 -9.864 -8.123 10.446 1.00 14.70 N ATOM 1211 CA GLN C 41 -9.657 -7.790 11.846 1.00 16.93 C ATOM 1212 C GLN C 41 -8.617 -6.741 12.071 1.00 14.19 C ATOM 1213 O GLN C 41 -7.578 -6.659 11.386 1.00 15.54 O ATOM 1214 CB GLN C 41 -9.242 -9.046 12.607 1.00 20.51 C ATOM 1215 CG GLN C 41 -10.408 -9.991 12.778 1.00 27.48 C ATOM 1216 CD GLN C 41 -9.990 -11.140 13.675 1.00 38.54 C ATOM 1217 OE1 GLN C 41 -9.604 -10.910 14.820 1.00 38.50 O ATOM 1218 NE2 GLN C 41 -9.968 -12.368 13.135 1.00 40.52 N ATOM 1219 HE22 GLN C 41 -10.305 -12.514 12.162 1.00 0.00 H ATOM 1220 HE21 GLN C 41 -9.614 -13.174 13.689 1.00 0.00 H ATOM 1221 H GLN C 41 -9.162 -8.707 9.948 1.00 0.00 H ATOM 1222 N ILE C 42 -8.879 -5.927 13.081 1.00 15.71 N ATOM 1223 CA ILE C 42 -7.906 -4.936 13.551 1.00 14.95 C ATOM 1224 C ILE C 42 -6.682 -5.693 14.111 1.00 16.17 C ATOM 1225 O ILE C 42 -6.795 -6.528 15.044 1.00 13.61 O ATOM 1226 CB ILE C 42 -8.564 -4.032 14.630 1.00 15.92 C ATOM 1227 CG1 ILE C 42 -9.807 -3.288 14.063 1.00 17.63 C ATOM 1228 CG2 ILE C 42 -7.468 -3.188 15.285 1.00 17.17 C ATOM 1229 CD1 ILE C 42 -9.374 -2.146 13.180 1.00 18.47 C ATOM 1230 H ILE C 42 -9.802 -5.992 13.555 1.00 0.00 H ATOM 1231 N VAL C 43 -5.537 -5.370 13.559 1.00 11.89 N ATOM 1232 CA VAL C 43 -4.246 -5.949 13.895 1.00 12.80 C ATOM 1233 C VAL C 43 -3.190 -4.937 14.322 1.00 14.63 C ATOM 1234 O VAL C 43 -2.029 -5.288 14.695 1.00 13.43 O ATOM 1235 CB VAL C 43 -3.720 -6.927 12.781 1.00 12.62 C ATOM 1236 CG1 VAL C 43 -4.630 -8.161 12.499 1.00 13.52 C ATOM 1237 CG2 VAL C 43 -3.301 -6.193 11.487 1.00 13.48 C ATOM 1238 H VAL C 43 -5.554 -4.639 12.819 1.00 0.00 H ATOM 1239 N GLY C 44 -3.552 -3.675 14.320 1.00 15.47 N ATOM 1240 CA GLY C 44 -2.612 -2.667 14.696 1.00 17.41 C ATOM 1241 C GLY C 44 -3.216 -1.287 14.635 1.00 15.91 C ATOM 1242 O GLY C 44 -4.386 -1.124 14.300 1.00 15.73 O ATOM 1243 H GLY C 44 -4.520 -3.410 14.046 1.00 0.00 H ATOM 1244 N TRP C 45 -2.370 -0.289 14.884 1.00 16.09 N ATOM 1245 CA TRP C 45 -2.716 1.120 15.165 1.00 17.17 C ATOM 1246 C TRP C 45 -1.597 1.958 14.589 1.00 17.18 C ATOM 1247 O TRP C 45 -0.440 1.523 14.565 1.00 17.65 O ATOM 1248 CB TRP C 45 -2.772 1.359 16.690 1.00 18.59 C ATOM 1249 H TRP C 45 -1.358 -0.527 14.880 1.00 0.00 H ATOM 1250 N TYR C 46 -1.918 3.157 14.100 1.00 17.49 N ATOM 1251 CA TYR C 46 -0.910 4.192 13.788 1.00 17.58 C ATOM 1252 C TYR C 46 -1.499 5.604 14.012 1.00 17.03 C ATOM 1253 O TYR C 46 -2.697 5.782 14.047 1.00 16.30 O ATOM 1254 CB TYR C 46 -0.340 4.048 12.377 1.00 17.50 C ATOM 1255 CG TYR C 46 -1.288 4.402 11.234 1.00 16.38 C ATOM 1256 CD1 TYR C 46 -2.349 3.564 10.909 1.00 16.46 C ATOM 1257 CD2 TYR C 46 -1.176 5.619 10.518 1.00 14.68 C ATOM 1258 CE1 TYR C 46 -3.215 3.883 9.900 1.00 16.40 C ATOM 1259 CE2 TYR C 46 -2.055 5.911 9.474 1.00 16.62 C ATOM 1260 CZ TYR C 46 -3.097 5.031 9.213 1.00 14.90 C ATOM 1261 OH TYR C 46 -3.945 5.364 8.200 1.00 17.03 O ATOM 1262 HH TYR C 46 -3.435 5.434 7.354 1.00 0.00 H ATOM 1263 H TYR C 46 -2.921 3.373 13.931 1.00 0.00 H ATOM 1264 N CYS C 47 -0.616 6.572 14.172 1.00 17.31 N ATOM 1265 CA CYS C 47 -1.055 7.924 14.333 1.00 20.22 C ATOM 1266 C CYS C 47 -0.032 8.862 13.708 1.00 18.40 C ATOM 1267 O CYS C 47 1.171 8.788 13.970 1.00 16.83 O ATOM 1268 CB CYS C 47 -1.304 8.145 15.850 1.00 24.08 C ATOM 1269 SG CYS C 47 -0.449 9.460 16.752 1.00 42.67 S ATOM 1270 H CYS C 47 0.400 6.351 14.181 1.00 0.00 H ATOM 1271 N THR C 48 -0.555 9.769 12.904 1.00 16.58 N ATOM 1272 CA THR C 48 0.193 10.820 12.266 1.00 16.62 C ATOM 1273 C THR C 48 -0.610 12.075 12.366 1.00 15.27 C ATOM 1274 O THR C 48 -1.762 12.042 12.724 1.00 15.34 O ATOM 1275 CB THR C 48 0.427 10.533 10.754 1.00 17.28 C ATOM 1276 OG1 THR C 48 -0.811 10.548 10.031 1.00 17.90 O ATOM 1277 CG2 THR C 48 1.190 9.211 10.544 1.00 17.76 C ATOM 1278 HG1 THR C 48 -0.635 10.363 9.074 1.00 0.00 H ATOM 1279 H THR C 48 -1.577 9.721 12.719 1.00 0.00 H ATOM 1280 N ASN C 49 -0.054 13.211 11.994 1.00 15.13 N ATOM 1281 CA ASN C 49 -0.850 14.448 12.015 1.00 16.96 C ATOM 1282 C ASN C 49 -2.051 14.403 11.098 1.00 18.70 C ATOM 1283 O ASN C 49 -3.060 14.959 11.430 1.00 15.78 O ATOM 1284 CB ASN C 49 0.046 15.648 11.716 1.00 18.56 C ATOM 1285 CG ASN C 49 0.959 16.016 12.895 1.00 19.30 C ATOM 1286 OD1 ASN C 49 1.549 15.147 13.535 1.00 20.45 O ATOM 1287 ND2 ASN C 49 1.053 17.322 13.202 1.00 21.22 N ATOM 1288 HD22 ASN C 49 0.539 18.027 12.637 1.00 0.00 H ATOM 1289 HD21 ASN C 49 1.640 17.627 14.005 1.00 0.00 H ATOM 1290 H ASN C 49 0.940 13.233 11.688 1.00 0.00 H ATOM 1291 N LEU C 50 -1.875 13.820 9.917 1.00 18.70 N ATOM 1292 CA LEU C 50 -2.958 13.676 8.943 1.00 20.57 C ATOM 1293 C LEU C 50 -3.964 12.661 9.371 1.00 18.76 C ATOM 1294 O LEU C 50 -5.163 12.787 9.050 1.00 19.41 O ATOM 1295 CB LEU C 50 -2.360 13.182 7.674 1.00 24.61 C ATOM 1296 CG LEU C 50 -3.277 12.989 6.492 1.00 28.46 C ATOM 1297 CD1 LEU C 50 -3.767 14.364 6.059 1.00 31.23 C ATOM 1298 CD2 LEU C 50 -2.469 12.294 5.356 1.00 29.62 C ATOM 1299 H LEU C 50 -0.933 13.452 9.676 1.00 0.00 H ATOM 1300 N THR C 51 -3.490 11.631 10.069 1.00 15.85 N ATOM 1301 CA THR C 51 -4.361 10.554 10.552 1.00 18.55 C ATOM 1302 C THR C 51 -4.095 10.226 12.025 1.00 18.24 C ATOM 1303 O THR C 51 -3.345 9.278 12.395 1.00 18.24 O ATOM 1304 CB THR C 51 -4.183 9.295 9.697 1.00 19.51 C ATOM 1305 OG1 THR C 51 -4.459 9.571 8.335 1.00 20.67 O ATOM 1306 CG2 THR C 51 -5.177 8.250 10.153 1.00 20.82 C ATOM 1307 HG1 THR C 51 -5.392 9.889 8.247 1.00 0.00 H ATOM 1308 H THR C 51 -2.472 11.589 10.278 1.00 0.00 H ATOM 1309 N PRO C 52 -4.676 11.042 12.907 1.00 19.64 N ATOM 1310 CA PRO C 52 -4.250 10.931 14.305 1.00 19.03 C ATOM 1311 C PRO C 52 -4.812 9.656 14.941 1.00 18.68 C ATOM 1312 O PRO C 52 -4.372 9.278 16.031 1.00 21.16 O ATOM 1313 CB PRO C 52 -4.883 12.157 14.981 1.00 20.27 C ATOM 1314 CG PRO C 52 -5.855 12.642 14.053 1.00 21.86 C ATOM 1315 CD PRO C 52 -5.420 12.294 12.674 1.00 19.94 C ATOM 1316 N GLU C 53 -5.800 9.025 14.309 1.00 16.80 N ATOM 1317 CA GLU C 53 -6.300 7.729 14.803 1.00 16.12 C ATOM 1318 C GLU C 53 -6.481 6.795 13.625 1.00 17.43 C ATOM 1319 O GLU C 53 -7.447 6.898 12.905 1.00 15.83 O ATOM 1320 CB GLU C 53 -7.636 7.831 15.568 1.00 17.80 C ATOM 1321 CG GLU C 53 -7.969 6.524 16.331 1.00 18.54 C ATOM 1322 CD GLU C 53 -9.335 6.524 16.981 1.00 21.12 C ATOM 1323 OE1 GLU C 53 -9.864 7.641 17.193 1.00 23.12 O ATOM 1324 OE2 GLU C 53 -9.850 5.443 17.312 1.00 19.47 O ATOM 1325 H GLU C 53 -6.223 9.450 13.459 1.00 0.00 H ATOM 1326 N GLY C 54 -5.524 5.901 13.435 1.00 16.40 N ATOM 1327 CA GLY C 54 -5.485 5.009 12.266 1.00 16.12 C ATOM 1328 C GLY C 54 -5.405 3.599 12.745 1.00 15.44 C ATOM 1329 O GLY C 54 -4.862 3.311 13.836 1.00 14.29 O ATOM 1330 H GLY C 54 -4.766 5.826 14.143 1.00 0.00 H ATOM 1331 N TYR C 55 -5.824 2.706 11.861 1.00 14.23 N ATOM 1332 CA TYR C 55 -5.851 1.245 12.148 1.00 14.35 C ATOM 1333 C TYR C 55 -5.288 0.402 11.006 1.00 13.61 C ATOM 1334 O TYR C 55 -5.431 0.761 9.837 1.00 14.34 O ATOM 1335 CB TYR C 55 -7.284 0.760 12.518 1.00 15.74 C ATOM 1336 CG TYR C 55 -7.788 1.339 13.813 1.00 15.87 C ATOM 1337 CD1 TYR C 55 -7.398 0.805 14.992 1.00 16.46 C ATOM 1338 CD2 TYR C 55 -8.535 2.526 13.811 1.00 18.49 C ATOM 1339 CE1 TYR C 55 -7.811 1.363 16.223 1.00 17.24 C ATOM 1340 CE2 TYR C 55 -8.976 3.090 14.990 1.00 19.15 C ATOM 1341 CZ TYR C 55 -8.591 2.547 16.192 1.00 19.79 C ATOM 1342 OH TYR C 55 -9.068 3.140 17.353 1.00 17.89 O ATOM 1343 HH TYR C 55 -8.770 4.083 17.387 1.00 0.00 H ATOM 1344 H TYR C 55 -6.147 3.038 10.930 1.00 0.00 H ATOM 1345 N ALA C 56 -4.537 -0.638 11.360 1.00 12.76 N ATOM 1346 CA ALA C 56 -4.132 -1.703 10.399 1.00 14.16 C ATOM 1347 C ALA C 56 -5.152 -2.827 10.458 1.00 14.38 C ATOM 1348 O ALA C 56 -5.467 -3.237 11.579 1.00 14.80 O ATOM 1349 CB ALA C 56 -2.769 -2.238 10.730 1.00 14.19 C ATOM 1350 H ALA C 56 -4.220 -0.711 12.348 1.00 0.00 H ATOM 1351 N VAL C 57 -5.670 -3.283 9.288 1.00 13.98 N ATOM 1352 CA VAL C 57 -6.712 -4.267 9.180 1.00 13.29 C ATOM 1353 C VAL C 57 -6.183 -5.380 8.285 1.00 13.12 C ATOM 1354 O VAL C 57 -5.764 -5.096 7.182 1.00 12.63 O ATOM 1355 CB VAL C 57 -7.977 -3.655 8.593 1.00 14.34 C ATOM 1356 CG1 VAL C 57 -9.127 -4.692 8.497 1.00 14.95 C ATOM 1357 CG2 VAL C 57 -8.342 -2.381 9.407 1.00 15.50 C ATOM 1358 H VAL C 57 -5.284 -2.891 8.405 1.00 0.00 H ATOM 1359 N GLU C 58 -6.123 -6.603 8.805 1.00 12.02 N ATOM 1360 CA GLU C 58 -5.677 -7.773 8.070 1.00 14.30 C ATOM 1361 C GLU C 58 -6.907 -8.315 7.349 1.00 13.36 C ATOM 1362 O GLU C 58 -7.978 -8.573 7.991 1.00 11.82 O ATOM 1363 CB GLU C 58 -5.110 -8.840 8.959 1.00 14.57 C ATOM 1364 CG GLU C 58 -4.611 -10.033 8.179 1.00 14.53 C ATOM 1365 CD GLU C 58 -3.996 -11.154 8.992 1.00 16.08 C ATOM 1366 OE1 GLU C 58 -4.040 -11.128 10.242 1.00 16.71 O ATOM 1367 OE2 GLU C 58 -3.461 -12.105 8.357 1.00 15.48 O ATOM 1368 H GLU C 58 -6.413 -6.728 9.796 1.00 0.00 H ATOM 1369 N SER C 59 -6.827 -8.477 6.052 1.00 13.63 N ATOM 1370 CA SER C 59 -7.954 -9.061 5.337 1.00 13.74 C ATOM 1371 C SER C 59 -8.323 -10.485 5.800 1.00 14.06 C ATOM 1372 O SER C 59 -7.482 -11.340 5.969 1.00 13.70 O ATOM 1373 CB SER C 59 -7.707 -9.066 3.836 1.00 14.79 C ATOM 1374 OG SER C 59 -8.741 -9.745 3.094 1.00 13.92 O ATOM 1375 HG SER C 59 -9.609 -9.297 3.254 1.00 0.00 H ATOM 1376 H SER C 59 -5.969 -8.192 5.538 1.00 0.00 H ATOM 1377 N GLU C 60 -9.623 -10.665 5.997 1.00 15.72 N ATOM 1378 CA GLU C 60 -10.211 -11.982 6.214 1.00 17.06 C ATOM 1379 C GLU C 60 -10.277 -12.859 4.990 1.00 17.60 C ATOM 1380 O GLU C 60 -10.448 -14.084 5.086 1.00 19.33 O ATOM 1381 CB GLU C 60 -11.563 -11.823 6.913 1.00 17.12 C ATOM 1382 CG GLU C 60 -12.682 -11.192 6.158 1.00 17.37 C ATOM 1383 CD GLU C 60 -13.896 -10.927 7.057 1.00 20.39 C ATOM 1384 OE1 GLU C 60 -13.785 -10.667 8.305 1.00 22.58 O ATOM 1385 OE2 GLU C 60 -14.980 -10.980 6.460 1.00 19.74 O ATOM 1386 H GLU C 60 -10.248 -9.833 5.997 1.00 0.00 H ATOM 1387 N ALA C 61 -10.194 -12.268 3.823 1.00 14.51 N ATOM 1388 CA ALA C 61 -10.278 -13.007 2.592 1.00 16.31 C ATOM 1389 C ALA C 61 -8.898 -13.355 2.092 1.00 17.45 C ATOM 1390 O ALA C 61 -8.711 -14.387 1.407 1.00 16.58 O ATOM 1391 CB ALA C 61 -11.034 -12.206 1.547 1.00 16.55 C ATOM 1392 H ALA C 61 -10.064 -11.237 3.786 1.00 0.00 H ATOM 1393 N HIS C 62 -7.929 -12.505 2.444 1.00 15.20 N ATOM 1394 CA HIS C 62 -6.568 -12.570 1.951 1.00 15.37 C ATOM 1395 C HIS C 62 -5.596 -12.577 3.141 1.00 14.35 C ATOM 1396 O HIS C 62 -4.998 -11.547 3.475 1.00 14.41 O ATOM 1397 CB HIS C 62 -6.170 -11.419 1.015 1.00 14.79 C ATOM 1398 CG HIS C 62 -7.037 -11.253 -0.173 1.00 15.14 C ATOM 1399 ND1 HIS C 62 -7.332 -12.290 -1.031 1.00 15.89 N ATOM 1400 CD2 HIS C 62 -7.693 -10.161 -0.644 1.00 15.52 C ATOM 1401 CE1 HIS C 62 -8.095 -11.829 -2.017 1.00 14.88 C ATOM 1402 NE2 HIS C 62 -8.333 -10.543 -1.790 1.00 15.28 N ATOM 1403 H HIS C 62 -8.167 -11.747 3.116 1.00 0.00 H ATOM 1404 N PRO C 63 -5.461 -13.731 3.810 1.00 15.28 N ATOM 1405 CA PRO C 63 -4.648 -13.699 5.017 1.00 14.02 C ATOM 1406 C PRO C 63 -3.204 -13.257 4.780 1.00 14.32 C ATOM 1407 O PRO C 63 -2.620 -13.592 3.739 1.00 15.31 O ATOM 1408 CB PRO C 63 -4.656 -15.167 5.515 1.00 15.05 C ATOM 1409 CG PRO C 63 -5.702 -15.873 4.715 1.00 14.92 C ATOM 1410 CD PRO C 63 -6.156 -14.996 3.610 1.00 15.94 C ATOM 1411 N GLY C 64 -2.681 -12.469 5.713 1.00 14.74 N ATOM 1412 CA GLY C 64 -1.345 -11.896 5.654 1.00 14.90 C ATOM 1413 C GLY C 64 -1.316 -10.471 5.049 1.00 14.03 C ATOM 1414 O GLY C 64 -0.330 -9.721 5.210 1.00 15.29 O ATOM 1415 H GLY C 64 -3.267 -12.246 6.543 1.00 0.00 H ATOM 1416 N SER C 65 -2.354 -10.120 4.254 1.00 13.57 N ATOM 1417 CA SER C 65 -2.375 -8.830 3.601 1.00 13.04 C ATOM 1418 C SER C 65 -3.031 -7.871 4.559 1.00 13.23 C ATOM 1419 O SER C 65 -4.100 -8.131 5.064 1.00 12.76 O ATOM 1420 CB SER C 65 -3.082 -8.804 2.204 1.00 12.96 C ATOM 1421 OG SER C 65 -2.234 -9.465 1.278 1.00 16.46 O ATOM 1422 HG SER C 65 -2.659 -9.463 0.384 1.00 0.00 H ATOM 1423 H SER C 65 -3.142 -10.783 4.112 1.00 0.00 H ATOM 1424 N VAL C 66 -2.358 -6.737 4.743 1.00 15.08 N ATOM 1425 CA VAL C 66 -2.762 -5.744 5.723 1.00 14.76 C ATOM 1426 C VAL C 66 -2.841 -4.398 5.032 1.00 15.92 C ATOM 1427 O VAL C 66 -1.931 -4.027 4.262 1.00 14.86 O ATOM 1428 CB VAL C 66 -1.759 -5.668 6.886 1.00 14.88 C ATOM 1429 CG1 VAL C 66 -2.142 -4.560 7.859 1.00 15.82 C ATOM 1430 CG2 VAL C 66 -1.747 -7.019 7.565 1.00 14.87 C ATOM 1431 H VAL C 66 -1.513 -6.556 4.164 1.00 0.00 H ATOM 1432 N GLN C 67 -3.941 -3.676 5.253 1.00 14.39 N ATOM 1433 CA GLN C 67 -4.030 -2.256 4.817 1.00 14.85 C ATOM 1434 C GLN C 67 -4.311 -1.375 5.998 1.00 14.84 C ATOM 1435 O GLN C 67 -4.803 -1.815 7.057 1.00 16.17 O ATOM 1436 CB GLN C 67 -5.076 -2.062 3.722 1.00 19.04 C ATOM 1437 CG GLN C 67 -4.777 -2.832 2.441 1.00 25.68 C ATOM 1438 CD GLN C 67 -4.394 -1.995 1.230 1.00 40.82 C ATOM 1439 OE1 GLN C 67 -3.406 -1.202 1.261 1.00 47.97 O ATOM 1440 NE2 GLN C 67 -5.141 -2.207 0.102 1.00 48.06 N ATOM 1441 HE22 GLN C 67 -5.943 -2.868 0.126 1.00 0.00 H ATOM 1442 HE21 GLN C 67 -4.906 -1.707 -0.779 1.00 0.00 H ATOM 1443 H GLN C 67 -4.750 -4.113 5.738 1.00 0.00 H ATOM 1444 N ILE C 68 -3.964 -0.113 5.838 1.00 14.80 N ATOM 1445 CA ILE C 68 -4.115 0.837 6.966 1.00 15.89 C ATOM 1446 C ILE C 68 -5.047 1.974 6.526 1.00 15.10 C ATOM 1447 O ILE C 68 -4.955 2.498 5.373 1.00 13.46 O ATOM 1448 CB ILE C 68 -2.779 1.402 7.489 1.00 16.63 C ATOM 1449 CG1 ILE C 68 -1.953 2.103 6.368 1.00 20.30 C ATOM 1450 CG2 ILE C 68 -1.902 0.343 8.003 1.00 16.65 C ATOM 1451 CD1 ILE C 68 -0.645 2.767 6.810 1.00 21.55 C ATOM 1452 H ILE C 68 -3.587 0.214 4.926 1.00 0.00 H ATOM 1453 N TYR C 69 -5.884 2.389 7.464 1.00 14.53 N ATOM 1454 CA TYR C 69 -6.982 3.366 7.213 1.00 15.64 C ATOM 1455 C TYR C 69 -7.218 4.296 8.421 1.00 15.47 C ATOM 1456 O TYR C 69 -7.062 3.849 9.563 1.00 15.17 O ATOM 1457 CB TYR C 69 -8.334 2.684 6.887 1.00 16.28 C ATOM 1458 CG TYR C 69 -8.269 1.758 5.695 1.00 16.09 C ATOM 1459 CD1 TYR C 69 -8.163 2.238 4.353 1.00 18.40 C ATOM 1460 CD2 TYR C 69 -8.184 0.386 5.912 1.00 17.05 C ATOM 1461 CE1 TYR C 69 -8.026 1.338 3.288 1.00 18.21 C ATOM 1462 CE2 TYR C 69 -8.112 -0.492 4.874 1.00 18.41 C ATOM 1463 CZ TYR C 69 -8.031 -0.011 3.555 1.00 19.10 C ATOM 1464 OH TYR C 69 -7.911 -0.952 2.537 1.00 19.82 O ATOM 1465 HH TYR C 69 -7.864 -0.488 1.664 1.00 0.00 H ATOM 1466 H TYR C 69 -5.770 2.014 8.427 1.00 0.00 H ATOM 1467 N PRO C 70 -7.641 5.557 8.164 1.00 15.13 N ATOM 1468 CA PRO C 70 -8.083 6.406 9.263 1.00 16.51 C ATOM 1469 C PRO C 70 -9.373 5.803 9.845 1.00 17.48 C ATOM 1470 O PRO C 70 -10.119 5.141 9.121 1.00 16.22 O ATOM 1471 CB PRO C 70 -8.363 7.777 8.584 1.00 16.54 C ATOM 1472 CG PRO C 70 -7.651 7.743 7.301 1.00 18.75 C ATOM 1473 CD PRO C 70 -7.664 6.280 6.872 1.00 17.26 C ATOM 1474 N VAL C 71 -9.575 6.013 11.126 1.00 17.56 N ATOM 1475 CA VAL C 71 -10.755 5.529 11.847 1.00 18.92 C ATOM 1476 C VAL C 71 -12.062 5.893 11.177 1.00 19.15 C ATOM 1477 O VAL C 71 -12.922 5.051 11.091 1.00 17.48 O ATOM 1478 CB VAL C 71 -10.750 5.950 13.348 1.00 21.01 C ATOM 1479 CG1 VAL C 71 -10.844 7.446 13.480 1.00 20.82 C ATOM 1480 CG2 VAL C 71 -11.833 5.288 14.141 1.00 21.94 C ATOM 1481 H VAL C 71 -8.860 6.551 11.656 1.00 0.00 H ATOM 1482 N ALA C 72 -12.149 7.088 10.633 1.00 18.64 N ATOM 1483 CA ALA C 72 -13.394 7.528 9.949 1.00 20.53 C ATOM 1484 C ALA C 72 -13.758 6.706 8.716 1.00 18.21 C ATOM 1485 O ALA C 72 -14.934 6.689 8.293 1.00 17.85 O ATOM 1486 CB ALA C 72 -13.289 8.988 9.625 1.00 23.64 C ATOM 1487 H ALA C 72 -11.335 7.734 10.682 1.00 0.00 H ATOM 1488 N ALA C 73 -12.793 6.015 8.119 1.00 16.38 N ATOM 1489 CA ALA C 73 -13.033 5.169 7.014 1.00 15.41 C ATOM 1490 C ALA C 73 -13.648 3.830 7.401 1.00 15.02 C ATOM 1491 O ALA C 73 -14.013 3.099 6.483 1.00 14.65 O ATOM 1492 CB ALA C 73 -11.751 4.900 6.233 1.00 15.75 C ATOM 1493 H ALA C 73 -11.821 6.101 8.480 1.00 0.00 H ATOM 1494 N LEU C 74 -13.629 3.473 8.686 1.00 13.89 N ATOM 1495 CA LEU C 74 -13.938 2.115 9.109 1.00 15.31 C ATOM 1496 C LEU C 74 -15.161 2.021 9.981 1.00 17.45 C ATOM 1497 O LEU C 74 -15.478 2.984 10.673 1.00 18.92 O ATOM 1498 CB LEU C 74 -12.748 1.482 9.815 1.00 16.57 C ATOM 1499 CG LEU C 74 -11.396 1.303 9.032 1.00 14.71 C ATOM 1500 CD1 LEU C 74 -10.282 1.052 10.050 1.00 15.01 C ATOM 1501 CD2 LEU C 74 -11.536 0.258 7.981 1.00 15.45 C ATOM 1502 H LEU C 74 -13.387 4.184 9.405 1.00 0.00 H ATOM 1503 N GLU C 75 -15.815 0.863 9.917 1.00 18.79 N ATOM 1504 CA GLU C 75 -16.878 0.592 10.816 1.00 21.58 C ATOM 1505 C GLU C 75 -16.808 -0.834 11.290 1.00 20.46 C ATOM 1506 O GLU C 75 -16.427 -1.750 10.583 1.00 14.82 O ATOM 1507 CB GLU C 75 -18.231 0.972 10.172 1.00 23.58 C ATOM 1508 CG GLU C 75 -18.617 0.032 9.064 1.00 24.74 C ATOM 1509 CD GLU C 75 -19.775 0.546 8.204 1.00 29.80 C ATOM 1510 OE1 GLU C 75 -20.373 1.584 8.555 1.00 36.44 O ATOM 1511 OE2 GLU C 75 -20.117 -0.124 7.197 1.00 30.19 O ATOM 1512 H GLU C 75 -15.545 0.154 9.205 1.00 0.00 H ATOM 1513 N ARG C 76 -17.165 -1.016 12.553 1.00 18.32 N ATOM 1514 CA ARG C 76 -17.173 -2.346 13.210 1.00 20.23 C ATOM 1515 C ARG C 76 -18.401 -3.197 12.787 1.00 21.73 C ATOM 1516 O ARG C 76 -19.491 -2.663 12.599 1.00 20.71 O ATOM 1517 CB ARG C 76 -17.074 -2.170 14.745 1.00 19.25 C ATOM 1518 CG ARG C 76 -16.825 -3.507 15.423 1.00 20.25 C ATOM 1519 CD ARG C 76 -16.384 -3.282 16.870 1.00 21.40 C ATOM 1520 NE ARG C 76 -17.330 -2.493 17.653 1.00 22.61 N ATOM 1521 CZ ARG C 76 -18.331 -2.961 18.403 1.00 22.56 C ATOM 1522 NH1 ARG C 76 -18.542 -4.269 18.543 1.00 22.42 N ATOM 1523 NH2 ARG C 76 -19.085 -2.082 19.064 1.00 20.42 N ATOM 1524 HE ARG C 76 -17.212 -1.460 17.624 1.00 0.00 H ATOM 1525 HH12 ARG C 76 -19.328 -4.609 19.133 1.00 0.00 H ATOM 1526 HH11 ARG C 76 -17.920 -4.950 18.063 1.00 0.00 H ATOM 1527 HH22 ARG C 76 -19.872 -2.414 19.657 1.00 0.00 H ATOM 1528 HH21 ARG C 76 -18.886 -1.064 18.987 1.00 0.00 H ATOM 1529 H ARG C 76 -17.453 -0.187 13.110 1.00 0.00 H ATOM 1530 N ILE C 77 -18.259 -4.515 12.587 1.00 21.50 N ATOM 1531 CA ILE C 77 -19.403 -5.320 12.135 1.00 20.68 C ATOM 1532 C ILE C 77 -19.566 -6.521 13.065 1.00 24.41 C ATOM 1533 O ILE C 77 -18.566 -6.873 13.716 1.00 24.93 O ATOM 1534 CB ILE C 77 -19.288 -5.722 10.599 1.00 20.94 C ATOM 1535 CG1 ILE C 77 -17.965 -6.459 10.345 1.00 20.86 C ATOM 1536 CG2 ILE C 77 -19.434 -4.474 9.695 1.00 22.18 C ATOM 1537 CD1 ILE C 77 -17.760 -7.050 8.977 1.00 19.46 C ATOM 1538 H ILE C 77 -17.338 -4.969 12.752 1.00 0.00 H TER 1539 ILE C 77 ATOM 1540 N ALA D 22 -5.072 9.852 -22.147 1.00 46.73 N ATOM 1541 CA ALA D 22 -4.172 9.707 -20.901 1.00 41.86 C ATOM 1542 C ALA D 22 -3.569 11.048 -20.492 1.00 35.07 C ATOM 1543 O ALA D 22 -2.939 11.743 -21.301 1.00 34.13 O ATOM 1544 CB ALA D 22 -3.066 8.684 -21.072 1.00 37.92 C ATOM 1545 HN3 ALA D 22 -4.507 10.217 -22.940 1.00 0.00 H ATOM 1546 HN2 ALA D 22 -5.847 10.514 -21.938 1.00 0.00 H ATOM 1547 HN1 ALA D 22 -5.466 8.923 -22.399 1.00 0.00 H ATOM 1548 N THR D 23 -3.796 11.427 -19.233 1.00 30.09 N ATOM 1549 CA THR D 23 -3.362 12.716 -18.725 1.00 30.19 C ATOM 1550 C THR D 23 -1.836 12.738 -18.609 1.00 27.57 C ATOM 1551 O THR D 23 -1.163 13.763 -18.850 1.00 25.32 O ATOM 1552 CB THR D 23 -4.044 12.963 -17.368 1.00 29.61 C ATOM 1553 OG1 THR D 23 -5.466 12.903 -17.559 1.00 32.35 O ATOM 1554 CG2 THR D 23 -3.658 14.303 -16.704 1.00 29.75 C ATOM 1555 HG1 THR D 23 -5.921 13.060 -16.694 1.00 0.00 H ATOM 1556 H THR D 23 -4.300 10.778 -18.595 1.00 0.00 H ATOM 1557 N PHE D 24 -1.285 11.595 -18.216 1.00 22.35 N ATOM 1558 CA PHE D 24 0.124 11.527 -17.988 1.00 20.49 C ATOM 1559 C PHE D 24 0.675 10.358 -18.743 1.00 21.98 C ATOM 1560 O PHE D 24 -0.007 9.404 -19.069 1.00 22.46 O ATOM 1561 CB PHE D 24 0.487 11.356 -16.484 1.00 20.55 C ATOM 1562 CG PHE D 24 -0.186 12.307 -15.536 1.00 23.22 C ATOM 1563 CD1 PHE D 24 0.007 13.650 -15.636 1.00 19.74 C ATOM 1564 CD2 PHE D 24 -0.928 11.815 -14.452 1.00 20.59 C ATOM 1565 CE1 PHE D 24 -0.571 14.511 -14.725 1.00 21.87 C ATOM 1566 CE2 PHE D 24 -1.508 12.659 -13.554 1.00 20.86 C ATOM 1567 CZ PHE D 24 -1.341 14.003 -13.674 1.00 19.82 C ATOM 1568 H PHE D 24 -1.877 10.752 -18.075 1.00 0.00 H ATOM 1569 N GLY D 25 1.962 10.455 -18.979 1.00 23.78 N ATOM 1570 CA GLY D 25 2.737 9.426 -19.613 1.00 23.97 C ATOM 1571 C GLY D 25 3.929 9.012 -18.804 1.00 22.36 C ATOM 1572 O GLY D 25 4.373 9.670 -17.837 1.00 18.34 O ATOM 1573 H GLY D 25 2.449 11.327 -18.690 1.00 0.00 H ATOM 1574 N MET D 26 4.473 7.918 -19.228 1.00 22.06 N ATOM 1575 CA MET D 26 5.614 7.333 -18.561 1.00 24.17 C ATOM 1576 C MET D 26 6.733 8.337 -18.412 1.00 25.24 C ATOM 1577 O MET D 26 7.131 9.009 -19.354 1.00 22.33 O ATOM 1578 CB MET D 26 6.144 6.086 -19.302 1.00 24.34 C ATOM 1579 CG MET D 26 5.253 4.843 -19.217 1.00 26.73 C ATOM 1580 SD MET D 26 5.169 4.044 -17.591 1.00 26.12 S ATOM 1581 CE MET D 26 6.167 2.543 -17.829 1.00 26.97 C ATOM 1582 H MET D 26 4.080 7.448 -20.069 1.00 0.00 H ATOM 1583 N GLY D 27 7.241 8.417 -17.213 1.00 22.01 N ATOM 1584 CA GLY D 27 8.313 9.311 -16.920 1.00 22.38 C ATOM 1585 C GLY D 27 7.916 10.702 -16.525 1.00 20.61 C ATOM 1586 O GLY D 27 8.778 11.477 -16.055 1.00 19.85 O ATOM 1587 H GLY D 27 6.857 7.817 -16.456 1.00 0.00 H ATOM 1588 N ASP D 28 6.651 11.073 -16.668 1.00 18.62 N ATOM 1589 CA ASP D 28 6.243 12.401 -16.160 1.00 17.33 C ATOM 1590 C ASP D 28 6.525 12.495 -14.694 1.00 18.56 C ATOM 1591 O ASP D 28 6.283 11.560 -13.945 1.00 18.42 O ATOM 1592 CB ASP D 28 4.732 12.693 -16.318 1.00 16.16 C ATOM 1593 CG ASP D 28 4.318 13.046 -17.764 1.00 19.13 C ATOM 1594 OD1 ASP D 28 5.131 13.488 -18.538 1.00 20.25 O ATOM 1595 OD2 ASP D 28 3.144 12.929 -18.106 1.00 18.21 O ATOM 1596 H ASP D 28 5.961 10.444 -17.127 1.00 0.00 H ATOM 1597 N ARG D 29 6.923 13.662 -14.259 1.00 16.97 N ATOM 1598 CA ARG D 29 7.132 13.920 -12.826 1.00 17.78 C ATOM 1599 C ARG D 29 5.844 14.506 -12.302 1.00 18.12 C ATOM 1600 O ARG D 29 5.326 15.516 -12.873 1.00 17.07 O ATOM 1601 CB ARG D 29 8.264 14.900 -12.625 1.00 18.63 C ATOM 1602 CG ARG D 29 8.814 14.887 -11.229 1.00 22.20 C ATOM 1603 CD ARG D 29 9.676 16.136 -10.966 1.00 26.45 C ATOM 1604 NE ARG D 29 10.290 16.185 -9.646 1.00 25.59 N ATOM 1605 CZ ARG D 29 10.979 17.235 -9.229 1.00 28.59 C ATOM 1606 NH1 ARG D 29 11.085 18.359 -9.989 1.00 30.33 N ATOM 1607 NH2 ARG D 29 11.604 17.164 -8.071 1.00 28.09 N ATOM 1608 HE ARG D 29 10.183 15.368 -9.011 1.00 0.00 H ATOM 1609 HH12 ARG D 29 11.632 19.172 -9.641 1.00 0.00 H ATOM 1610 HH11 ARG D 29 10.619 18.405 -10.918 1.00 0.00 H ATOM 1611 HH22 ARG D 29 12.151 17.978 -7.725 1.00 0.00 H ATOM 1612 HH21 ARG D 29 11.550 16.294 -7.503 1.00 0.00 H ATOM 1613 H ARG D 29 7.096 14.426 -14.943 1.00 0.00 H ATOM 1614 N VAL D 30 5.295 13.862 -11.281 1.00 16.54 N ATOM 1615 CA VAL D 30 4.036 14.264 -10.661 1.00 15.17 C ATOM 1616 C VAL D 30 4.094 14.256 -9.178 1.00 17.06 C ATOM 1617 O VAL D 30 5.056 13.728 -8.574 1.00 13.19 O ATOM 1618 CB VAL D 30 2.887 13.284 -11.123 1.00 16.46 C ATOM 1619 CG1 VAL D 30 2.679 13.315 -12.617 1.00 15.72 C ATOM 1620 CG2 VAL D 30 3.079 11.871 -10.565 1.00 15.44 C ATOM 1621 H VAL D 30 5.787 13.027 -10.902 1.00 0.00 H ATOM 1622 N ARG D 31 3.117 14.931 -8.596 1.00 14.95 N ATOM 1623 CA ARG D 31 2.936 14.912 -7.160 1.00 16.58 C ATOM 1624 C ARG D 31 1.521 14.830 -6.745 1.00 15.27 C ATOM 1625 O ARG D 31 0.630 15.217 -7.500 1.00 15.96 O ATOM 1626 CB ARG D 31 3.545 16.145 -6.525 1.00 16.86 C ATOM 1627 CG ARG D 31 2.802 17.442 -6.876 1.00 20.07 C ATOM 1628 CD ARG D 31 3.555 18.578 -6.218 1.00 22.35 C ATOM 1629 NE ARG D 31 2.806 19.807 -6.450 1.00 29.39 N ATOM 1630 CZ ARG D 31 3.321 21.054 -6.460 1.00 39.74 C ATOM 1631 NH1 ARG D 31 2.533 22.121 -6.740 1.00 38.95 N ATOM 1632 NH2 ARG D 31 4.618 21.271 -6.200 1.00 43.73 N ATOM 1633 HE ARG D 31 1.785 19.714 -6.623 1.00 0.00 H ATOM 1634 HH12 ARG D 31 2.938 23.079 -6.746 1.00 0.00 H ATOM 1635 HH11 ARG D 31 1.524 21.982 -6.949 1.00 0.00 H ATOM 1636 HH22 ARG D 31 4.996 22.240 -6.213 1.00 0.00 H ATOM 1637 HH21 ARG D 31 5.246 20.471 -5.986 1.00 0.00 H ATOM 1638 H ARG D 31 2.464 15.488 -9.183 1.00 0.00 H ATOM 1639 N LYS D 32 1.276 14.316 -5.539 1.00 16.09 N ATOM 1640 CA LYS D 32 -0.012 14.407 -4.922 1.00 15.83 C ATOM 1641 C LYS D 32 -0.448 15.859 -4.693 1.00 16.71 C ATOM 1642 O LYS D 32 0.330 16.685 -4.215 1.00 17.49 O ATOM 1643 CB LYS D 32 -0.067 13.619 -3.600 1.00 18.95 C ATOM 1644 CG LYS D 32 -0.119 12.120 -3.737 1.00 21.16 C ATOM 1645 CD LYS D 32 -1.498 11.597 -3.979 1.00 21.52 C ATOM 1646 CE LYS D 32 -2.318 11.255 -2.681 1.00 21.24 C ATOM 1647 NZ LYS D 32 -2.524 12.375 -1.720 1.00 18.74 N ATOM 1648 HZ1 LYS D 32 -1.600 12.724 -1.393 1.00 0.00 H ATOM 1649 HZ2 LYS D 32 -3.040 13.145 -2.192 1.00 0.00 H ATOM 1650 HZ3 LYS D 32 -3.075 12.035 -0.906 1.00 0.00 H ATOM 1651 H LYS D 32 2.045 13.834 -5.031 1.00 0.00 H ATOM 1652 N LYS D 33 -1.705 16.186 -5.059 1.00 16.54 N ATOM 1653 CA LYS D 33 -2.191 17.522 -4.920 1.00 16.77 C ATOM 1654 C LYS D 33 -2.481 17.903 -3.489 1.00 18.37 C ATOM 1655 O LYS D 33 -2.396 19.107 -3.143 1.00 21.34 O ATOM 1656 CB LYS D 33 -3.514 17.703 -5.664 1.00 19.25 C ATOM 1657 CG LYS D 33 -3.364 17.765 -7.159 1.00 23.50 C ATOM 1658 CD LYS D 33 -4.769 17.717 -7.760 1.00 27.27 C ATOM 1659 CE LYS D 33 -4.760 17.868 -9.235 1.00 30.69 C ATOM 1660 NZ LYS D 33 -6.143 17.597 -9.672 1.00 31.58 N ATOM 1661 HZ1 LYS D 33 -6.411 16.632 -9.392 1.00 0.00 H ATOM 1662 HZ2 LYS D 33 -6.787 18.281 -9.225 1.00 0.00 H ATOM 1663 HZ3 LYS D 33 -6.203 17.688 -10.706 1.00 0.00 H ATOM 1664 H LYS D 33 -2.331 15.453 -5.449 1.00 0.00 H ATOM 1665 N SER D 34 -2.845 16.930 -2.658 1.00 15.19 N ATOM 1666 CA SER D 34 -3.378 17.269 -1.327 1.00 17.45 C ATOM 1667 C SER D 34 -3.288 16.030 -0.433 1.00 19.28 C ATOM 1668 O SER D 34 -3.063 14.953 -0.935 1.00 16.90 O ATOM 1669 CB SER D 34 -4.833 17.802 -1.461 1.00 20.52 C ATOM 1670 OG SER D 34 -5.724 16.746 -1.697 1.00 20.89 O ATOM 1671 HG SER D 34 -5.684 16.107 -0.942 1.00 0.00 H ATOM 1672 H SER D 34 -2.754 15.935 -2.946 1.00 0.00 H ATOM 1673 N GLY D 35 -3.451 16.185 0.879 1.00 18.08 N ATOM 1674 CA GLY D 35 -3.380 15.041 1.829 1.00 18.22 C ATOM 1675 C GLY D 35 -1.982 14.454 1.901 1.00 15.98 C ATOM 1676 O GLY D 35 -0.978 15.199 1.823 1.00 18.07 O ATOM 1677 H GLY D 35 -3.634 17.138 1.253 1.00 0.00 H ATOM 1678 N ALA D 36 -1.902 13.122 1.948 1.00 14.85 N ATOM 1679 CA ALA D 36 -0.638 12.438 2.033 1.00 14.97 C ATOM 1680 C ALA D 36 0.217 12.820 0.801 1.00 15.76 C ATOM 1681 O ALA D 36 -0.228 12.827 -0.406 1.00 14.02 O ATOM 1682 CB ALA D 36 -0.877 10.932 2.084 1.00 16.52 C ATOM 1683 H ALA D 36 -2.778 12.562 1.922 1.00 0.00 H ATOM 1684 N ALA D 37 1.435 13.191 1.053 1.00 14.97 N ATOM 1685 CA ALA D 37 2.364 13.593 0.015 1.00 14.25 C ATOM 1686 C ALA D 37 2.985 12.381 -0.723 1.00 16.44 C ATOM 1687 O ALA D 37 3.207 11.285 -0.143 1.00 17.06 O ATOM 1688 CB ALA D 37 3.476 14.383 0.647 1.00 15.38 C ATOM 1689 H ALA D 37 1.758 13.200 2.041 1.00 0.00 H ATOM 1690 N TRP D 38 3.234 12.597 -2.003 1.00 14.83 N ATOM 1691 CA TRP D 38 4.008 11.656 -2.828 1.00 14.46 C ATOM 1692 C TRP D 38 4.525 12.413 -4.072 1.00 14.79 C ATOM 1693 O TRP D 38 3.870 13.300 -4.574 1.00 12.61 O ATOM 1694 CB TRP D 38 3.135 10.520 -3.223 1.00 14.52 C ATOM 1695 CG TRP D 38 3.885 9.381 -3.707 1.00 15.85 C ATOM 1696 CD1 TRP D 38 4.099 9.063 -4.965 1.00 17.27 C ATOM 1697 CD2 TRP D 38 4.520 8.355 -2.903 1.00 16.87 C ATOM 1698 NE1 TRP D 38 4.891 7.891 -5.039 1.00 17.89 N ATOM 1699 CE2 TRP D 38 5.117 7.431 -3.783 1.00 17.17 C ATOM 1700 CE3 TRP D 38 4.589 8.119 -1.534 1.00 21.91 C ATOM 1701 CZ2 TRP D 38 5.805 6.309 -3.363 1.00 20.49 C ATOM 1702 CZ3 TRP D 38 5.294 6.975 -1.102 1.00 24.67 C ATOM 1703 CH2 TRP D 38 5.901 6.092 -2.049 1.00 24.67 C ATOM 1704 HE1 TRP D 38 5.242 7.454 -5.915 1.00 0.00 H ATOM 1705 H TRP D 38 2.869 13.465 -2.444 1.00 0.00 H ATOM 1706 N GLN D 39 5.763 12.150 -4.494 1.00 14.55 N ATOM 1707 CA GLN D 39 6.290 12.835 -5.657 1.00 15.00 C ATOM 1708 C GLN D 39 7.331 11.964 -6.305 1.00 15.90 C ATOM 1709 O GLN D 39 8.112 11.297 -5.643 1.00 15.66 O ATOM 1710 CB GLN D 39 6.892 14.131 -5.213 1.00 16.36 C ATOM 1711 CG GLN D 39 7.486 15.009 -6.273 1.00 18.35 C ATOM 1712 CD GLN D 39 7.708 16.419 -5.773 1.00 18.38 C ATOM 1713 OE1 GLN D 39 6.837 17.073 -5.287 1.00 19.84 O ATOM 1714 NE2 GLN D 39 8.933 16.844 -5.813 1.00 19.77 N ATOM 1715 HE22 GLN D 39 9.674 16.254 -6.242 1.00 0.00 H ATOM 1716 HE21 GLN D 39 9.174 17.774 -5.416 1.00 0.00 H ATOM 1717 H GLN D 39 6.349 11.455 -3.989 1.00 0.00 H ATOM 1718 N GLY D 40 7.264 11.919 -7.623 1.00 14.47 N ATOM 1719 CA GLY D 40 8.219 11.189 -8.419 1.00 15.85 C ATOM 1720 C GLY D 40 7.694 10.931 -9.800 1.00 15.89 C ATOM 1721 O GLY D 40 6.880 11.692 -10.323 1.00 18.21 O ATOM 1722 H GLY D 40 6.495 12.428 -8.104 1.00 0.00 H ATOM 1723 N GLN D 41 8.123 9.864 -10.446 1.00 14.70 N ATOM 1724 CA GLN D 41 7.790 9.657 -11.846 1.00 16.93 C ATOM 1725 C GLN D 41 6.741 8.617 -12.071 1.00 14.19 C ATOM 1726 O GLN D 41 6.659 7.578 -11.386 1.00 15.54 O ATOM 1727 CB GLN D 41 9.046 9.242 -12.607 1.00 20.51 C ATOM 1728 CG GLN D 41 9.991 10.408 -12.778 1.00 27.48 C ATOM 1729 CD GLN D 41 11.140 9.990 -13.675 1.00 38.54 C ATOM 1730 OE1 GLN D 41 10.910 9.604 -14.820 1.00 38.50 O ATOM 1731 NE2 GLN D 41 12.368 9.968 -13.135 1.00 40.52 N ATOM 1732 HE22 GLN D 41 12.514 10.305 -12.162 1.00 0.00 H ATOM 1733 HE21 GLN D 41 13.174 9.614 -13.689 1.00 0.00 H ATOM 1734 H GLN D 41 8.707 9.162 -9.948 1.00 0.00 H ATOM 1735 N ILE D 42 5.927 8.879 -13.081 1.00 15.71 N ATOM 1736 CA ILE D 42 4.936 7.906 -13.551 1.00 14.95 C ATOM 1737 C ILE D 42 5.693 6.682 -14.111 1.00 16.17 C ATOM 1738 O ILE D 42 6.528 6.795 -15.044 1.00 13.61 O ATOM 1739 CB ILE D 42 4.032 8.564 -14.630 1.00 15.92 C ATOM 1740 CG1 ILE D 42 3.288 9.807 -14.063 1.00 17.63 C ATOM 1741 CG2 ILE D 42 3.188 7.468 -15.285 1.00 17.17 C ATOM 1742 CD1 ILE D 42 2.146 9.374 -13.180 1.00 18.47 C ATOM 1743 H ILE D 42 5.992 9.802 -13.555 1.00 0.00 H ATOM 1744 N VAL D 43 5.370 5.537 -13.559 1.00 11.89 N ATOM 1745 CA VAL D 43 5.949 4.246 -13.895 1.00 12.80 C ATOM 1746 C VAL D 43 4.937 3.190 -14.322 1.00 14.63 C ATOM 1747 O VAL D 43 5.288 2.029 -14.695 1.00 13.43 O ATOM 1748 CB VAL D 43 6.927 3.720 -12.781 1.00 12.62 C ATOM 1749 CG1 VAL D 43 8.161 4.630 -12.499 1.00 13.52 C ATOM 1750 CG2 VAL D 43 6.193 3.301 -11.487 1.00 13.48 C ATOM 1751 H VAL D 43 4.639 5.554 -12.819 1.00 0.00 H ATOM 1752 N GLY D 44 3.675 3.552 -14.320 1.00 15.47 N ATOM 1753 CA GLY D 44 2.667 2.612 -14.696 1.00 17.41 C ATOM 1754 C GLY D 44 1.287 3.216 -14.635 1.00 15.91 C ATOM 1755 O GLY D 44 1.124 4.386 -14.300 1.00 15.73 O ATOM 1756 H GLY D 44 3.410 4.520 -14.046 1.00 0.00 H ATOM 1757 N TRP D 45 0.289 2.370 -14.884 1.00 16.09 N ATOM 1758 CA TRP D 45 -1.120 2.716 -15.165 1.00 17.17 C ATOM 1759 C TRP D 45 -1.958 1.597 -14.589 1.00 17.18 C ATOM 1760 O TRP D 45 -1.523 0.440 -14.565 1.00 17.65 O ATOM 1761 CB TRP D 45 -1.359 2.772 -16.690 1.00 18.59 C ATOM 1762 H TRP D 45 0.527 1.358 -14.880 1.00 0.00 H ATOM 1763 N TYR D 46 -3.157 1.918 -14.100 1.00 17.49 N ATOM 1764 CA TYR D 46 -4.192 0.910 -13.788 1.00 17.58 C ATOM 1765 C TYR D 46 -5.604 1.499 -14.012 1.00 17.03 C ATOM 1766 O TYR D 46 -5.782 2.697 -14.047 1.00 16.30 O ATOM 1767 CB TYR D 46 -4.048 0.340 -12.377 1.00 17.50 C ATOM 1768 CG TYR D 46 -4.402 1.288 -11.234 1.00 16.38 C ATOM 1769 CD1 TYR D 46 -3.564 2.349 -10.909 1.00 16.46 C ATOM 1770 CD2 TYR D 46 -5.619 1.176 -10.518 1.00 14.68 C ATOM 1771 CE1 TYR D 46 -3.883 3.215 -9.900 1.00 16.40 C ATOM 1772 CE2 TYR D 46 -5.911 2.055 -9.474 1.00 16.62 C ATOM 1773 CZ TYR D 46 -5.031 3.097 -9.213 1.00 14.90 C ATOM 1774 OH TYR D 46 -5.364 3.945 -8.200 1.00 17.03 O ATOM 1775 HH TYR D 46 -5.434 3.435 -7.354 1.00 0.00 H ATOM 1776 H TYR D 46 -3.373 2.921 -13.931 1.00 0.00 H ATOM 1777 N CYS D 47 -6.572 0.616 -14.172 1.00 17.31 N ATOM 1778 CA CYS D 47 -7.924 1.055 -14.333 1.00 20.22 C ATOM 1779 C CYS D 47 -8.862 0.032 -13.708 1.00 18.40 C ATOM 1780 O CYS D 47 -8.788 -1.171 -13.970 1.00 16.83 O ATOM 1781 CB CYS D 47 -8.145 1.304 -15.850 1.00 24.08 C ATOM 1782 SG CYS D 47 -9.460 0.449 -16.752 1.00 42.67 S ATOM 1783 H CYS D 47 -6.351 -0.400 -14.181 1.00 0.00 H ATOM 1784 N THR D 48 -9.769 0.555 -12.904 1.00 16.58 N ATOM 1785 CA THR D 48 -10.820 -0.193 -12.266 1.00 16.62 C ATOM 1786 C THR D 48 -12.075 0.610 -12.366 1.00 15.27 C ATOM 1787 O THR D 48 -12.042 1.762 -12.724 1.00 15.34 O ATOM 1788 CB THR D 48 -10.533 -0.427 -10.754 1.00 17.28 C ATOM 1789 OG1 THR D 48 -10.548 0.811 -10.031 1.00 17.90 O ATOM 1790 CG2 THR D 48 -9.211 -1.190 -10.544 1.00 17.76 C ATOM 1791 HG1 THR D 48 -10.363 0.635 -9.074 1.00 0.00 H ATOM 1792 H THR D 48 -9.721 1.577 -12.719 1.00 0.00 H ATOM 1793 N ASN D 49 -13.211 0.054 -11.994 1.00 15.13 N ATOM 1794 CA ASN D 49 -14.448 0.850 -12.015 1.00 16.96 C ATOM 1795 C ASN D 49 -14.403 2.051 -11.098 1.00 18.70 C ATOM 1796 O ASN D 49 -14.959 3.060 -11.430 1.00 15.78 O ATOM 1797 CB ASN D 49 -15.648 -0.046 -11.716 1.00 18.56 C ATOM 1798 CG ASN D 49 -16.016 -0.959 -12.895 1.00 19.30 C ATOM 1799 OD1 ASN D 49 -15.147 -1.549 -13.535 1.00 20.45 O ATOM 1800 ND2 ASN D 49 -17.322 -1.053 -13.202 1.00 21.22 N ATOM 1801 HD22 ASN D 49 -18.027 -0.539 -12.637 1.00 0.00 H ATOM 1802 HD21 ASN D 49 -17.627 -1.640 -14.005 1.00 0.00 H ATOM 1803 H ASN D 49 -13.233 -0.940 -11.688 1.00 0.00 H ATOM 1804 N LEU D 50 -13.820 1.875 -9.917 1.00 18.70 N ATOM 1805 CA LEU D 50 -13.676 2.958 -8.943 1.00 20.57 C ATOM 1806 C LEU D 50 -12.661 3.964 -9.371 1.00 18.76 C ATOM 1807 O LEU D 50 -12.787 5.163 -9.050 1.00 19.41 O ATOM 1808 CB LEU D 50 -13.182 2.360 -7.674 1.00 24.61 C ATOM 1809 CG LEU D 50 -12.989 3.277 -6.492 1.00 28.46 C ATOM 1810 CD1 LEU D 50 -14.364 3.767 -6.059 1.00 31.23 C ATOM 1811 CD2 LEU D 50 -12.294 2.469 -5.356 1.00 29.62 C ATOM 1812 H LEU D 50 -13.452 0.933 -9.676 1.00 0.00 H ATOM 1813 N THR D 51 -11.631 3.490 -10.069 1.00 15.85 N ATOM 1814 CA THR D 51 -10.554 4.361 -10.552 1.00 18.55 C ATOM 1815 C THR D 51 -10.226 4.095 -12.025 1.00 18.24 C ATOM 1816 O THR D 51 -9.278 3.345 -12.395 1.00 18.24 O ATOM 1817 CB THR D 51 -9.295 4.183 -9.697 1.00 19.51 C ATOM 1818 OG1 THR D 51 -9.571 4.459 -8.335 1.00 20.67 O ATOM 1819 CG2 THR D 51 -8.250 5.177 -10.153 1.00 20.82 C ATOM 1820 HG1 THR D 51 -9.889 5.392 -8.247 1.00 0.00 H ATOM 1821 H THR D 51 -11.589 2.472 -10.278 1.00 0.00 H ATOM 1822 N PRO D 52 -11.042 4.676 -12.907 1.00 19.64 N ATOM 1823 CA PRO D 52 -10.931 4.250 -14.305 1.00 19.03 C ATOM 1824 C PRO D 52 -9.656 4.812 -14.941 1.00 18.68 C ATOM 1825 O PRO D 52 -9.278 4.372 -16.031 1.00 21.16 O ATOM 1826 CB PRO D 52 -12.157 4.883 -14.981 1.00 20.27 C ATOM 1827 CG PRO D 52 -12.642 5.855 -14.053 1.00 21.86 C ATOM 1828 CD PRO D 52 -12.294 5.420 -12.674 1.00 19.94 C ATOM 1829 N GLU D 53 -9.025 5.800 -14.309 1.00 16.80 N ATOM 1830 CA GLU D 53 -7.729 6.300 -14.803 1.00 16.12 C ATOM 1831 C GLU D 53 -6.795 6.481 -13.625 1.00 17.43 C ATOM 1832 O GLU D 53 -6.898 7.447 -12.905 1.00 15.83 O ATOM 1833 CB GLU D 53 -7.831 7.636 -15.568 1.00 17.80 C ATOM 1834 CG GLU D 53 -6.524 7.969 -16.331 1.00 18.54 C ATOM 1835 CD GLU D 53 -6.524 9.335 -16.981 1.00 21.12 C ATOM 1836 OE1 GLU D 53 -7.641 9.864 -17.193 1.00 23.12 O ATOM 1837 OE2 GLU D 53 -5.443 9.850 -17.312 1.00 19.47 O ATOM 1838 H GLU D 53 -9.450 6.223 -13.459 1.00 0.00 H ATOM 1839 N GLY D 54 -5.901 5.524 -13.435 1.00 16.40 N ATOM 1840 CA GLY D 54 -5.009 5.485 -12.266 1.00 16.12 C ATOM 1841 C GLY D 54 -3.599 5.405 -12.745 1.00 15.44 C ATOM 1842 O GLY D 54 -3.311 4.862 -13.836 1.00 14.29 O ATOM 1843 H GLY D 54 -5.826 4.766 -14.143 1.00 0.00 H ATOM 1844 N TYR D 55 -2.706 5.824 -11.861 1.00 14.23 N ATOM 1845 CA TYR D 55 -1.245 5.851 -12.148 1.00 14.35 C ATOM 1846 C TYR D 55 -0.402 5.288 -11.006 1.00 13.61 C ATOM 1847 O TYR D 55 -0.761 5.431 -9.837 1.00 14.34 O ATOM 1848 CB TYR D 55 -0.760 7.284 -12.518 1.00 15.74 C ATOM 1849 CG TYR D 55 -1.339 7.788 -13.813 1.00 15.87 C ATOM 1850 CD1 TYR D 55 -0.805 7.398 -14.992 1.00 16.46 C ATOM 1851 CD2 TYR D 55 -2.526 8.535 -13.811 1.00 18.49 C ATOM 1852 CE1 TYR D 55 -1.363 7.811 -16.223 1.00 17.24 C ATOM 1853 CE2 TYR D 55 -3.090 8.976 -14.990 1.00 19.15 C ATOM 1854 CZ TYR D 55 -2.547 8.591 -16.192 1.00 19.79 C ATOM 1855 OH TYR D 55 -3.140 9.068 -17.353 1.00 17.89 O ATOM 1856 HH TYR D 55 -4.083 8.770 -17.387 1.00 0.00 H ATOM 1857 H TYR D 55 -3.038 6.147 -10.930 1.00 0.00 H ATOM 1858 N ALA D 56 0.638 4.537 -11.360 1.00 12.76 N ATOM 1859 CA ALA D 56 1.703 4.132 -10.399 1.00 14.16 C ATOM 1860 C ALA D 56 2.827 5.152 -10.458 1.00 14.38 C ATOM 1861 O ALA D 56 3.237 5.467 -11.579 1.00 14.80 O ATOM 1862 CB ALA D 56 2.238 2.769 -10.730 1.00 14.19 C ATOM 1863 H ALA D 56 0.711 4.220 -12.348 1.00 0.00 H ATOM 1864 N VAL D 57 3.283 5.670 -9.288 1.00 13.98 N ATOM 1865 CA VAL D 57 4.267 6.712 -9.180 1.00 13.29 C ATOM 1866 C VAL D 57 5.380 6.183 -8.285 1.00 13.12 C ATOM 1867 O VAL D 57 5.096 5.764 -7.182 1.00 12.63 O ATOM 1868 CB VAL D 57 3.655 7.977 -8.593 1.00 14.34 C ATOM 1869 CG1 VAL D 57 4.692 9.127 -8.497 1.00 14.95 C ATOM 1870 CG2 VAL D 57 2.381 8.342 -9.407 1.00 15.50 C ATOM 1871 H VAL D 57 2.891 5.284 -8.405 1.00 0.00 H ATOM 1872 N GLU D 58 6.603 6.123 -8.805 1.00 12.02 N ATOM 1873 CA GLU D 58 7.773 5.677 -8.070 1.00 14.30 C ATOM 1874 C GLU D 58 8.315 6.907 -7.349 1.00 13.36 C ATOM 1875 O GLU D 58 8.573 7.978 -7.991 1.00 11.82 O ATOM 1876 CB GLU D 58 8.840 5.110 -8.959 1.00 14.57 C ATOM 1877 CG GLU D 58 10.033 4.611 -8.179 1.00 14.53 C ATOM 1878 CD GLU D 58 11.154 3.996 -8.992 1.00 16.08 C ATOM 1879 OE1 GLU D 58 11.128 4.040 -10.242 1.00 16.71 O ATOM 1880 OE2 GLU D 58 12.105 3.461 -8.357 1.00 15.48 O ATOM 1881 H GLU D 58 6.728 6.413 -9.796 1.00 0.00 H ATOM 1882 N SER D 59 8.477 6.827 -6.052 1.00 13.63 N ATOM 1883 CA SER D 59 9.061 7.954 -5.337 1.00 13.74 C ATOM 1884 C SER D 59 10.485 8.323 -5.800 1.00 14.06 C ATOM 1885 O SER D 59 11.340 7.482 -5.969 1.00 13.70 O ATOM 1886 CB SER D 59 9.066 7.707 -3.836 1.00 14.79 C ATOM 1887 OG SER D 59 9.745 8.741 -3.094 1.00 13.92 O ATOM 1888 HG SER D 59 9.297 9.609 -3.254 1.00 0.00 H ATOM 1889 H SER D 59 8.192 5.969 -5.538 1.00 0.00 H ATOM 1890 N GLU D 60 10.665 9.623 -5.997 1.00 15.72 N ATOM 1891 CA GLU D 60 11.982 10.211 -6.214 1.00 17.06 C ATOM 1892 C GLU D 60 12.859 10.277 -4.990 1.00 17.60 C ATOM 1893 O GLU D 60 14.084 10.448 -5.086 1.00 19.33 O ATOM 1894 CB GLU D 60 11.823 11.563 -6.913 1.00 17.12 C ATOM 1895 CG GLU D 60 11.192 12.682 -6.158 1.00 17.37 C ATOM 1896 CD GLU D 60 10.927 13.896 -7.057 1.00 20.39 C ATOM 1897 OE1 GLU D 60 10.667 13.785 -8.305 1.00 22.58 O ATOM 1898 OE2 GLU D 60 10.980 14.980 -6.460 1.00 19.74 O ATOM 1899 H GLU D 60 9.833 10.248 -5.997 1.00 0.00 H ATOM 1900 N ALA D 61 12.268 10.194 -3.823 1.00 14.51 N ATOM 1901 CA ALA D 61 13.007 10.278 -2.592 1.00 16.31 C ATOM 1902 C ALA D 61 13.355 8.898 -2.092 1.00 17.45 C ATOM 1903 O ALA D 61 14.387 8.711 -1.407 1.00 16.58 O ATOM 1904 CB ALA D 61 12.206 11.034 -1.547 1.00 16.55 C ATOM 1905 H ALA D 61 11.237 10.064 -3.786 1.00 0.00 H ATOM 1906 N HIS D 62 12.505 7.929 -2.444 1.00 15.20 N ATOM 1907 CA HIS D 62 12.570 6.568 -1.951 1.00 15.37 C ATOM 1908 C HIS D 62 12.577 5.596 -3.141 1.00 14.35 C ATOM 1909 O HIS D 62 11.547 4.998 -3.475 1.00 14.41 O ATOM 1910 CB HIS D 62 11.419 6.170 -1.015 1.00 14.79 C ATOM 1911 CG HIS D 62 11.253 7.037 0.173 1.00 15.14 C ATOM 1912 ND1 HIS D 62 12.290 7.332 1.031 1.00 15.89 N ATOM 1913 CD2 HIS D 62 10.161 7.693 0.644 1.00 15.52 C ATOM 1914 CE1 HIS D 62 11.829 8.095 2.017 1.00 14.88 C ATOM 1915 NE2 HIS D 62 10.543 8.333 1.790 1.00 15.28 N ATOM 1916 H HIS D 62 11.747 8.167 -3.116 1.00 0.00 H ATOM 1917 N PRO D 63 13.731 5.461 -3.810 1.00 15.28 N ATOM 1918 CA PRO D 63 13.699 4.648 -5.017 1.00 14.02 C ATOM 1919 C PRO D 63 13.257 3.204 -4.780 1.00 14.32 C ATOM 1920 O PRO D 63 13.592 2.620 -3.739 1.00 15.31 O ATOM 1921 CB PRO D 63 15.167 4.656 -5.515 1.00 15.05 C ATOM 1922 CG PRO D 63 15.873 5.702 -4.715 1.00 14.92 C ATOM 1923 CD PRO D 63 14.996 6.156 -3.610 1.00 15.94 C ATOM 1924 N GLY D 64 12.469 2.681 -5.713 1.00 14.74 N ATOM 1925 CA GLY D 64 11.896 1.345 -5.654 1.00 14.90 C ATOM 1926 C GLY D 64 10.471 1.316 -5.049 1.00 14.03 C ATOM 1927 O GLY D 64 9.721 0.330 -5.210 1.00 15.29 O ATOM 1928 H GLY D 64 12.246 3.267 -6.543 1.00 0.00 H ATOM 1929 N SER D 65 10.120 2.354 -4.254 1.00 13.57 N ATOM 1930 CA SER D 65 8.830 2.375 -3.601 1.00 13.04 C ATOM 1931 C SER D 65 7.871 3.031 -4.559 1.00 13.23 C ATOM 1932 O SER D 65 8.131 4.100 -5.064 1.00 12.76 O ATOM 1933 CB SER D 65 8.804 3.082 -2.204 1.00 12.96 C ATOM 1934 OG SER D 65 9.465 2.234 -1.278 1.00 16.46 O ATOM 1935 HG SER D 65 9.463 2.659 -0.384 1.00 0.00 H ATOM 1936 H SER D 65 10.783 3.142 -4.112 1.00 0.00 H ATOM 1937 N VAL D 66 6.737 2.358 -4.743 1.00 15.08 N ATOM 1938 CA VAL D 66 5.744 2.762 -5.723 1.00 14.76 C ATOM 1939 C VAL D 66 4.398 2.841 -5.032 1.00 15.92 C ATOM 1940 O VAL D 66 4.027 1.931 -4.262 1.00 14.86 O ATOM 1941 CB VAL D 66 5.668 1.759 -6.886 1.00 14.88 C ATOM 1942 CG1 VAL D 66 4.560 2.142 -7.859 1.00 15.82 C ATOM 1943 CG2 VAL D 66 7.019 1.747 -7.565 1.00 14.87 C ATOM 1944 H VAL D 66 6.556 1.513 -4.164 1.00 0.00 H ATOM 1945 N GLN D 67 3.676 3.941 -5.253 1.00 14.39 N ATOM 1946 CA GLN D 67 2.256 4.030 -4.817 1.00 14.85 C ATOM 1947 C GLN D 67 1.375 4.311 -5.998 1.00 14.84 C ATOM 1948 O GLN D 67 1.815 4.803 -7.057 1.00 16.17 O ATOM 1949 CB GLN D 67 2.062 5.076 -3.722 1.00 19.04 C ATOM 1950 CG GLN D 67 2.832 4.777 -2.441 1.00 25.68 C ATOM 1951 CD GLN D 67 1.995 4.394 -1.230 1.00 40.82 C ATOM 1952 OE1 GLN D 67 1.202 3.406 -1.261 1.00 47.97 O ATOM 1953 NE2 GLN D 67 2.207 5.141 -0.102 1.00 48.06 N ATOM 1954 HE22 GLN D 67 2.868 5.943 -0.126 1.00 0.00 H ATOM 1955 HE21 GLN D 67 1.707 4.906 0.779 1.00 0.00 H ATOM 1956 H GLN D 67 4.113 4.750 -5.738 1.00 0.00 H ATOM 1957 N ILE D 68 0.113 3.964 -5.838 1.00 14.80 N ATOM 1958 CA ILE D 68 -0.837 4.115 -6.966 1.00 15.89 C ATOM 1959 C ILE D 68 -1.974 5.047 -6.526 1.00 15.10 C ATOM 1960 O ILE D 68 -2.498 4.955 -5.373 1.00 13.46 O ATOM 1961 CB ILE D 68 -1.402 2.779 -7.489 1.00 16.63 C ATOM 1962 CG1 ILE D 68 -2.103 1.953 -6.368 1.00 20.30 C ATOM 1963 CG2 ILE D 68 -0.343 1.902 -8.003 1.00 16.65 C ATOM 1964 CD1 ILE D 68 -2.767 0.645 -6.810 1.00 21.55 C ATOM 1965 H ILE D 68 -0.214 3.587 -4.926 1.00 0.00 H ATOM 1966 N TYR D 69 -2.389 5.884 -7.464 1.00 14.53 N ATOM 1967 CA TYR D 69 -3.366 6.982 -7.213 1.00 15.64 C ATOM 1968 C TYR D 69 -4.296 7.218 -8.421 1.00 15.47 C ATOM 1969 O TYR D 69 -3.849 7.062 -9.563 1.00 15.17 O ATOM 1970 CB TYR D 69 -2.684 8.334 -6.887 1.00 16.28 C ATOM 1971 CG TYR D 69 -1.758 8.269 -5.695 1.00 16.09 C ATOM 1972 CD1 TYR D 69 -2.238 8.163 -4.353 1.00 18.40 C ATOM 1973 CD2 TYR D 69 -0.386 8.184 -5.912 1.00 17.05 C ATOM 1974 CE1 TYR D 69 -1.338 8.026 -3.288 1.00 18.21 C ATOM 1975 CE2 TYR D 69 0.492 8.112 -4.874 1.00 18.41 C ATOM 1976 CZ TYR D 69 0.011 8.031 -3.555 1.00 19.10 C ATOM 1977 OH TYR D 69 0.952 7.911 -2.537 1.00 19.82 O ATOM 1978 HH TYR D 69 0.488 7.864 -1.664 1.00 0.00 H ATOM 1979 H TYR D 69 -2.014 5.770 -8.427 1.00 0.00 H ATOM 1980 N PRO D 70 -5.557 7.641 -8.164 1.00 15.13 N ATOM 1981 CA PRO D 70 -6.406 8.083 -9.263 1.00 16.51 C ATOM 1982 C PRO D 70 -5.803 9.373 -9.845 1.00 17.48 C ATOM 1983 O PRO D 70 -5.141 10.119 -9.121 1.00 16.22 O ATOM 1984 CB PRO D 70 -7.777 8.363 -8.584 1.00 16.54 C ATOM 1985 CG PRO D 70 -7.743 7.651 -7.301 1.00 18.75 C ATOM 1986 CD PRO D 70 -6.280 7.664 -6.872 1.00 17.26 C ATOM 1987 N VAL D 71 -6.013 9.575 -11.126 1.00 17.56 N ATOM 1988 CA VAL D 71 -5.529 10.755 -11.847 1.00 18.92 C ATOM 1989 C VAL D 71 -5.893 12.062 -11.177 1.00 19.15 C ATOM 1990 O VAL D 71 -5.051 12.922 -11.091 1.00 17.48 O ATOM 1991 CB VAL D 71 -5.950 10.750 -13.348 1.00 21.01 C ATOM 1992 CG1 VAL D 71 -7.446 10.844 -13.480 1.00 20.82 C ATOM 1993 CG2 VAL D 71 -5.288 11.833 -14.141 1.00 21.94 C ATOM 1994 H VAL D 71 -6.551 8.860 -11.656 1.00 0.00 H ATOM 1995 N ALA D 72 -7.088 12.149 -10.633 1.00 18.64 N ATOM 1996 CA ALA D 72 -7.528 13.394 -9.949 1.00 20.53 C ATOM 1997 C ALA D 72 -6.706 13.758 -8.716 1.00 18.21 C ATOM 1998 O ALA D 72 -6.689 14.934 -8.293 1.00 17.85 O ATOM 1999 CB ALA D 72 -8.988 13.289 -9.625 1.00 23.64 C ATOM 2000 H ALA D 72 -7.734 11.335 -10.682 1.00 0.00 H ATOM 2001 N ALA D 73 -6.015 12.793 -8.119 1.00 16.38 N ATOM 2002 CA ALA D 73 -5.169 13.033 -7.014 1.00 15.41 C ATOM 2003 C ALA D 73 -3.830 13.648 -7.401 1.00 15.02 C ATOM 2004 O ALA D 73 -3.099 14.013 -6.483 1.00 14.65 O ATOM 2005 CB ALA D 73 -4.900 11.751 -6.233 1.00 15.75 C ATOM 2006 H ALA D 73 -6.101 11.821 -8.480 1.00 0.00 H ATOM 2007 N LEU D 74 -3.473 13.629 -8.686 1.00 13.89 N ATOM 2008 CA LEU D 74 -2.115 13.938 -9.109 1.00 15.31 C ATOM 2009 C LEU D 74 -2.021 15.161 -9.981 1.00 17.45 C ATOM 2010 O LEU D 74 -2.984 15.478 -10.673 1.00 18.92 O ATOM 2011 CB LEU D 74 -1.482 12.748 -9.815 1.00 16.57 C ATOM 2012 CG LEU D 74 -1.303 11.396 -9.032 1.00 14.71 C ATOM 2013 CD1 LEU D 74 -1.052 10.282 -10.050 1.00 15.01 C ATOM 2014 CD2 LEU D 74 -0.258 11.536 -7.981 1.00 15.45 C ATOM 2015 H LEU D 74 -4.184 13.387 -9.405 1.00 0.00 H ATOM 2016 N GLU D 75 -0.863 15.815 -9.917 1.00 18.79 N ATOM 2017 CA GLU D 75 -0.592 16.878 -10.816 1.00 21.58 C ATOM 2018 C GLU D 75 0.834 16.808 -11.290 1.00 20.46 C ATOM 2019 O GLU D 75 1.750 16.427 -10.583 1.00 14.82 O ATOM 2020 CB GLU D 75 -0.972 18.231 -10.172 1.00 23.58 C ATOM 2021 CG GLU D 75 -0.032 18.617 -9.064 1.00 24.74 C ATOM 2022 CD GLU D 75 -0.546 19.775 -8.204 1.00 29.80 C ATOM 2023 OE1 GLU D 75 -1.584 20.373 -8.555 1.00 36.44 O ATOM 2024 OE2 GLU D 75 0.124 20.117 -7.197 1.00 30.19 O ATOM 2025 H GLU D 75 -0.154 15.545 -9.205 1.00 0.00 H ATOM 2026 N ARG D 76 1.016 17.165 -12.553 1.00 18.32 N ATOM 2027 CA ARG D 76 2.346 17.173 -13.210 1.00 20.23 C ATOM 2028 C ARG D 76 3.197 18.401 -12.787 1.00 21.73 C ATOM 2029 O ARG D 76 2.663 19.491 -12.599 1.00 20.71 O ATOM 2030 CB ARG D 76 2.170 17.074 -14.745 1.00 19.25 C ATOM 2031 CG ARG D 76 3.507 16.825 -15.423 1.00 20.25 C ATOM 2032 CD ARG D 76 3.282 16.384 -16.870 1.00 21.40 C ATOM 2033 NE ARG D 76 2.493 17.330 -17.653 1.00 22.61 N ATOM 2034 CZ ARG D 76 2.961 18.331 -18.403 1.00 22.56 C ATOM 2035 NH1 ARG D 76 4.269 18.542 -18.543 1.00 22.42 N ATOM 2036 NH2 ARG D 76 2.082 19.085 -19.064 1.00 20.42 N ATOM 2037 HE ARG D 76 1.460 17.212 -17.624 1.00 0.00 H ATOM 2038 HH12 ARG D 76 4.609 19.328 -19.133 1.00 0.00 H ATOM 2039 HH11 ARG D 76 4.950 17.920 -18.063 1.00 0.00 H ATOM 2040 HH22 ARG D 76 2.414 19.872 -19.657 1.00 0.00 H ATOM 2041 HH21 ARG D 76 1.064 18.886 -18.987 1.00 0.00 H ATOM 2042 H ARG D 76 0.187 17.453 -13.110 1.00 0.00 H ATOM 2043 N ILE D 77 4.515 18.259 -12.587 1.00 21.50 N ATOM 2044 CA ILE D 77 5.320 19.403 -12.135 1.00 20.68 C ATOM 2045 C ILE D 77 6.521 19.566 -13.065 1.00 24.41 C ATOM 2046 O ILE D 77 6.873 18.566 -13.716 1.00 24.93 O ATOM 2047 CB ILE D 77 5.722 19.288 -10.599 1.00 20.94 C ATOM 2048 CG1 ILE D 77 6.459 17.965 -10.345 1.00 20.86 C ATOM 2049 CG2 ILE D 77 4.474 19.434 -9.695 1.00 22.18 C ATOM 2050 CD1 ILE D 77 7.050 17.760 -8.977 1.00 19.46 C ATOM 2051 H ILE D 77 4.969 17.338 -12.752 1.00 0.00 H TER 2052 ILE D 77 HETATM 2053 O HOH 1 12.612 11.411 10.320 1.00 25.60 O HETATM 2054 O HOH 2 8.142 0.214 0.136 1.00 26.05 O HETATM 2055 O HOH 3 -2.898 -9.154 15.790 1.00 32.53 O HETATM 2056 O HOH 4 18.415 6.409 16.244 1.00 40.26 O HETATM 2057 O HOH 5 -3.858 -12.494 13.945 1.00 44.05 O HETATM 2058 O HOH 6 2.915 12.889 11.809 1.00 16.96 O HETATM 2059 O HOH 7 14.564 -7.102 16.380 1.00 44.08 O HETATM 2060 O HOH 8 1.088 -9.665 7.576 1.00 18.91 O HETATM 2061 O HOH 9 9.841 -10.227 16.447 1.00 35.17 O HETATM 2062 O HOH 10 6.376 11.256 11.575 1.00 29.79 O HETATM 2063 O HOH 11 6.826 -10.962 7.936 1.00 31.56 O HETATM 2064 O HOH 12 6.645 14.910 -1.273 1.00 20.93 O HETATM 2065 O HOH 13 5.335 -4.815 3.996 1.00 44.98 O HETATM 2066 O HOH 14 3.413 -7.553 6.626 1.00 24.95 O HETATM 2067 O HOH 15 11.617 -4.268 -0.279 1.00 14.23 O HETATM 2068 O HOH 16 19.776 6.542 4.759 1.00 26.45 O HETATM 2069 O HOH 17 15.963 1.108 -3.495 1.00 25.17 O HETATM 2070 O HOH 18 14.209 -4.002 3.860 1.00 19.35 O HETATM 2071 O HOH 19 15.677 -5.138 12.434 1.00 29.63 O HETATM 2072 O HOH 20 4.325 14.744 8.704 1.00 24.93 O HETATM 2073 O HOH 21 -3.563 -15.894 10.697 1.00 40.10 O HETATM 2074 O HOH 22 10.828 15.426 -0.214 1.00 60.16 O HETATM 2075 O HOH 23 -2.546 -18.077 15.582 1.00 15.78 O HETATM 2076 O HOH 24 -4.308 -15.172 14.575 1.00 42.84 O HETATM 2077 O HOH 25 7.074 13.701 7.645 1.00 37.72 O HETATM 2078 O HOH 26 0.936 13.517 8.790 1.00 15.85 O HETATM 2079 O HOH 27 5.844 9.163 15.887 1.00 30.57 O HETATM 2080 O HOH 28 16.126 7.269 15.801 1.00 28.56 O HETATM 2081 O HOH 29 11.778 7.702 20.119 1.00 45.08 O HETATM 2082 O HOH 30 10.432 -9.465 10.769 1.00 18.76 O HETATM 2083 O HOH 31 14.498 -6.693 0.059 1.00 45.52 O HETATM 2084 O HOH 32 7.770 -9.821 12.269 1.00 19.25 O HETATM 2085 O HOH 33 8.777 15.756 6.884 1.00 31.41 O HETATM 2086 O HOH 34 16.420 6.264 17.956 1.00 39.57 O HETATM 2087 O HOH 35 8.491 10.993 9.700 1.00 35.61 O HETATM 2088 O HOH 36 16.526 -0.477 17.850 1.00 44.83 O HETATM 2089 O HOH 37 18.153 -1.328 14.180 1.00 23.33 O HETATM 2090 O HOH 38 10.017 12.907 10.149 1.00 36.34 O HETATM 2091 O HOH 39 -0.263 6.096 3.329 1.00 15.19 O HETATM 2092 O HOH 40 16.641 4.985 2.895 1.00 16.96 O HETATM 2093 O HOH 41 6.552 10.869 14.319 1.00 30.28 O HETATM 2094 O HOH 42 19.622 9.874 4.796 1.00 42.48 O HETATM 2095 O HOH 43 6.973 3.935 22.180 1.00 43.50 O HETATM 2096 O HOH 44 9.343 15.056 14.745 1.00 47.55 O HETATM 2097 O HOH 45 17.520 -3.576 13.218 1.00 42.48 O HETATM 2098 O HOH 46 14.058 -6.958 3.466 1.00 53.29 O HETATM 2099 O HOH 47 6.475 16.952 0.647 1.00 47.44 O HETATM 2100 O HOH 48 14.675 10.579 2.984 1.00 42.30 O HETATM 2101 O HOH 49 5.164 -3.624 0.952 1.00 66.51 O HETATM 2102 O HOH 50 8.980 17.878 3.169 1.00 54.77 O HETATM 2103 O HOH 51 13.257 -9.552 15.846 1.00 57.79 O HETATM 2104 O HOH 52 14.152 -9.813 13.157 1.00 42.35 O HETATM 2105 O HOH 53 9.456 -11.199 14.202 1.00 30.39 O HETATM 2106 O HOH 54 11.885 -10.975 12.423 1.00 25.36 O HETATM 2107 O HOH 55 14.825 -7.703 13.963 1.00 38.87 O HETATM 2108 O HOH 56 1.723 16.119 7.846 1.00 21.51 O HETATM 2109 O HOH 57 8.408 -2.735 -0.234 1.00 40.76 O HETATM 2110 O HOH 58 10.072 -10.588 8.127 1.00 37.47 O HETATM 2111 O HOH 59 -11.411 -12.612 -10.320 1.00 25.60 O HETATM 2112 O HOH 60 -0.214 -8.142 -0.136 1.00 26.05 O HETATM 2113 O HOH 61 9.154 2.898 -15.790 1.00 32.53 O HETATM 2114 O HOH 62 -6.409 -18.415 -16.244 1.00 40.26 O HETATM 2115 O HOH 63 12.494 3.858 -13.945 1.00 44.05 O HETATM 2116 O HOH 64 -12.889 -2.915 -11.809 1.00 16.96 O HETATM 2117 O HOH 65 7.102 -14.564 -16.380 1.00 44.08 O HETATM 2118 O HOH 66 9.665 -1.088 -7.576 1.00 18.91 O HETATM 2119 O HOH 67 10.227 -9.841 -16.447 1.00 35.17 O HETATM 2120 O HOH 68 -11.256 -6.376 -11.575 1.00 29.79 O HETATM 2121 O HOH 69 10.962 -6.826 -7.936 1.00 31.56 O HETATM 2122 O HOH 70 -14.910 -6.645 1.273 1.00 20.93 O HETATM 2123 O HOH 71 4.815 -5.335 -3.996 1.00 44.98 O HETATM 2124 O HOH 72 7.553 -3.413 -6.626 1.00 24.95 O HETATM 2125 O HOH 73 -6.542 -19.776 -4.759 1.00 26.45 O HETATM 2126 O HOH 74 -1.108 -15.963 3.495 1.00 25.17 O HETATM 2127 O HOH 75 4.002 -14.209 -3.860 1.00 19.35 O HETATM 2128 O HOH 76 5.138 -15.677 -12.434 1.00 29.63 O HETATM 2129 O HOH 77 -14.744 -4.325 -8.704 1.00 24.93 O HETATM 2130 O HOH 78 15.894 3.563 -10.697 1.00 40.10 O HETATM 2131 O HOH 79 -15.426 -10.828 0.214 1.00 60.16 O HETATM 2132 O HOH 80 18.077 2.546 -15.582 1.00 15.78 O HETATM 2133 O HOH 81 15.172 4.308 -14.575 1.00 42.84 O HETATM 2134 O HOH 82 -13.701 -7.074 -7.645 1.00 37.72 O HETATM 2135 O HOH 83 -13.517 -0.936 -8.790 1.00 15.85 O HETATM 2136 O HOH 84 -9.163 -5.844 -15.887 1.00 30.57 O HETATM 2137 O HOH 85 -7.269 -16.126 -15.801 1.00 28.56 O HETATM 2138 O HOH 86 -7.702 -11.778 -20.119 1.00 45.08 O HETATM 2139 O HOH 87 9.465 -10.432 -10.769 1.00 18.76 O HETATM 2140 O HOH 88 6.693 -14.498 -0.059 1.00 45.52 O HETATM 2141 O HOH 89 9.821 -7.770 -12.269 1.00 19.25 O HETATM 2142 O HOH 90 -15.756 -8.777 -6.884 1.00 31.41 O HETATM 2143 O HOH 91 -6.264 -16.420 -17.956 1.00 39.57 O HETATM 2144 O HOH 92 -10.993 -8.491 -9.700 1.00 35.61 O HETATM 2145 O HOH 93 0.477 -16.526 -17.850 1.00 44.83 O HETATM 2146 O HOH 94 1.328 -18.153 -14.180 1.00 23.33 O HETATM 2147 O HOH 95 -12.907 -10.017 -10.149 1.00 36.34 O HETATM 2148 O HOH 96 -4.985 -16.641 -2.895 1.00 16.96 O HETATM 2149 O HOH 97 -10.869 -6.552 -14.319 1.00 30.28 O HETATM 2150 O HOH 98 -9.874 -19.622 -4.796 1.00 42.48 O HETATM 2151 O HOH 99 -3.935 -6.973 -22.180 1.00 43.50 O HETATM 2152 O HOH 100 -15.056 -9.343 -14.745 1.00 47.55 O HETATM 2153 O HOH 101 3.576 -17.520 -13.218 1.00 42.48 O HETATM 2154 O HOH 102 6.958 -14.058 -3.466 1.00 53.29 O HETATM 2155 O HOH 103 -16.952 -6.475 -0.647 1.00 47.44 O HETATM 2156 O HOH 104 -10.579 -14.675 -2.984 1.00 42.30 O HETATM 2157 O HOH 105 3.624 -5.164 -0.952 1.00 66.51 O HETATM 2158 O HOH 106 -17.878 -8.980 -3.169 1.00 54.77 O HETATM 2159 O HOH 107 9.552 -13.257 -15.846 1.00 57.79 O HETATM 2160 O HOH 108 9.813 -14.152 -13.157 1.00 42.35 O HETATM 2161 O HOH 109 11.199 -9.456 -14.202 1.00 30.39 O HETATM 2162 O HOH 110 10.975 -11.885 -12.423 1.00 25.36 O HETATM 2163 O HOH 111 7.703 -14.825 -13.963 1.00 38.87 O HETATM 2164 O HOH 112 -16.119 -1.723 -7.846 1.00 21.51 O HETATM 2165 O HOH 113 2.735 -8.408 0.234 1.00 40.76 O HETATM 2166 O HOH 114 10.588 -10.072 -8.127 1.00 37.47 O HETATM 2167 O HOH 115 -12.612 -11.411 10.320 1.00 25.60 O HETATM 2168 O HOH 116 -8.142 -0.214 0.136 1.00 26.05 O HETATM 2169 O HOH 117 2.898 9.154 15.790 1.00 32.53 O HETATM 2170 O HOH 118 -18.415 -6.409 16.244 1.00 40.26 O HETATM 2171 O HOH 119 3.858 12.494 13.945 1.00 44.05 O HETATM 2172 O HOH 120 -2.915 -12.889 11.809 1.00 16.96 O HETATM 2173 O HOH 121 -14.564 7.102 16.380 1.00 44.08 O HETATM 2174 O HOH 122 -1.088 9.665 7.576 1.00 18.91 O HETATM 2175 O HOH 123 -9.841 10.227 16.447 1.00 35.17 O HETATM 2176 O HOH 124 -6.376 -11.256 11.575 1.00 29.79 O HETATM 2177 O HOH 125 -6.826 10.962 7.936 1.00 31.56 O HETATM 2178 O HOH 126 -6.645 -14.910 -1.273 1.00 20.93 O HETATM 2179 O HOH 127 -5.335 4.815 3.996 1.00 44.98 O HETATM 2180 O HOH 128 -3.413 7.553 6.626 1.00 24.95 O HETATM 2181 O HOH 129 -19.776 -6.542 4.759 1.00 26.45 O HETATM 2182 O HOH 130 -15.963 -1.108 -3.495 1.00 25.17 O HETATM 2183 O HOH 131 -14.209 4.002 3.860 1.00 19.35 O HETATM 2184 O HOH 132 -15.677 5.138 12.434 1.00 29.63 O HETATM 2185 O HOH 133 -4.325 -14.744 8.704 1.00 24.93 O HETATM 2186 O HOH 134 3.563 15.894 10.697 1.00 40.10 O HETATM 2187 O HOH 135 -10.828 -15.426 -0.214 1.00 60.16 O HETATM 2188 O HOH 136 2.546 18.077 15.582 1.00 15.78 O HETATM 2189 O HOH 137 4.308 15.172 14.575 1.00 42.84 O HETATM 2190 O HOH 138 -7.074 -13.701 7.645 1.00 37.72 O HETATM 2191 O HOH 139 -0.936 -13.517 8.790 1.00 15.85 O HETATM 2192 O HOH 140 -5.844 -9.163 15.887 1.00 30.57 O HETATM 2193 O HOH 141 -16.126 -7.269 15.801 1.00 28.56 O HETATM 2194 O HOH 142 -11.778 -7.702 20.119 1.00 45.08 O HETATM 2195 O HOH 143 -10.432 9.465 10.769 1.00 18.76 O HETATM 2196 O HOH 144 -14.498 6.693 0.059 1.00 45.52 O HETATM 2197 O HOH 145 -7.770 9.821 12.269 1.00 19.25 O HETATM 2198 O HOH 146 -8.777 -15.756 6.884 1.00 31.41 O HETATM 2199 O HOH 147 -16.420 -6.264 17.956 1.00 39.57 O HETATM 2200 O HOH 148 -8.491 -10.993 9.700 1.00 35.61 O HETATM 2201 O HOH 149 -16.526 0.477 17.850 1.00 44.83 O HETATM 2202 O HOH 150 -18.153 1.328 14.180 1.00 23.33 O HETATM 2203 O HOH 151 -10.017 -12.907 10.149 1.00 36.34 O HETATM 2204 O HOH 152 -16.641 -4.985 2.895 1.00 16.96 O HETATM 2205 O HOH 153 -6.552 -10.869 14.319 1.00 30.28 O HETATM 2206 O HOH 154 -19.622 -9.874 4.796 1.00 42.48 O HETATM 2207 O HOH 155 -6.973 -3.935 22.180 1.00 43.50 O HETATM 2208 O HOH 156 -9.343 -15.056 14.745 1.00 47.55 O HETATM 2209 O HOH 157 -17.520 3.576 13.218 1.00 42.48 O HETATM 2210 O HOH 158 -14.058 6.958 3.466 1.00 53.29 O HETATM 2211 O HOH 159 -6.475 -16.952 0.647 1.00 47.44 O HETATM 2212 O HOH 160 -14.675 -10.579 2.984 1.00 42.30 O HETATM 2213 O HOH 161 -5.164 3.624 0.952 1.00 66.51 O HETATM 2214 O HOH 162 -8.980 -17.878 3.169 1.00 54.77 O HETATM 2215 O HOH 163 -13.257 9.552 15.846 1.00 57.79 O HETATM 2216 O HOH 164 -14.152 9.813 13.157 1.00 42.35 O HETATM 2217 O HOH 165 -9.456 11.199 14.202 1.00 30.39 O HETATM 2218 O HOH 166 -11.885 10.975 12.423 1.00 25.36 O HETATM 2219 O HOH 167 -14.825 7.703 13.963 1.00 38.87 O HETATM 2220 O HOH 168 -1.723 -16.119 7.846 1.00 21.51 O HETATM 2221 O HOH 169 -8.408 2.735 -0.234 1.00 40.76 O HETATM 2222 O HOH 170 -10.072 10.588 8.127 1.00 37.47 O HETATM 2223 O HOH 171 11.411 12.612 -10.320 1.00 25.60 O HETATM 2224 O HOH 172 0.214 8.142 -0.136 1.00 26.05 O HETATM 2225 O HOH 173 -9.154 -2.898 -15.790 1.00 32.53 O HETATM 2226 O HOH 174 6.409 18.415 -16.244 1.00 40.26 O HETATM 2227 O HOH 175 -12.494 -3.858 -13.945 1.00 44.05 O HETATM 2228 O HOH 176 12.889 2.915 -11.809 1.00 16.96 O HETATM 2229 O HOH 177 -7.102 14.564 -16.380 1.00 44.08 O HETATM 2230 O HOH 178 -9.665 1.088 -7.576 1.00 18.91 O HETATM 2231 O HOH 179 -10.227 9.841 -16.447 1.00 35.17 O HETATM 2232 O HOH 180 11.256 6.376 -11.575 1.00 29.79 O HETATM 2233 O HOH 181 -10.962 6.826 -7.936 1.00 31.56 O HETATM 2234 O HOH 182 14.910 6.645 1.273 1.00 20.93 O HETATM 2235 O HOH 183 -4.815 5.335 -3.996 1.00 44.98 O HETATM 2236 O HOH 184 -7.553 3.413 -6.626 1.00 24.95 O HETATM 2237 O HOH 185 6.542 19.776 -4.759 1.00 26.45 O HETATM 2238 O HOH 186 1.108 15.963 3.495 1.00 25.17 O HETATM 2239 O HOH 187 -4.002 14.209 -3.860 1.00 19.35 O HETATM 2240 O HOH 188 -5.138 15.677 -12.434 1.00 29.63 O HETATM 2241 O HOH 189 14.744 4.325 -8.704 1.00 24.93 O HETATM 2242 O HOH 190 -15.894 -3.563 -10.697 1.00 40.10 O HETATM 2243 O HOH 191 15.426 10.828 0.214 1.00 60.16 O HETATM 2244 O HOH 192 -18.077 -2.546 -15.582 1.00 15.78 O HETATM 2245 O HOH 193 -15.172 -4.308 -14.575 1.00 42.84 O HETATM 2246 O HOH 194 13.701 7.074 -7.645 1.00 37.72 O HETATM 2247 O HOH 195 13.517 0.936 -8.790 1.00 15.85 O HETATM 2248 O HOH 196 9.163 5.844 -15.887 1.00 30.57 O HETATM 2249 O HOH 197 7.269 16.126 -15.801 1.00 28.56 O HETATM 2250 O HOH 198 7.702 11.778 -20.119 1.00 45.08 O HETATM 2251 O HOH 199 -9.465 10.432 -10.769 1.00 18.76 O HETATM 2252 O HOH 200 -6.693 14.498 -0.059 1.00 45.52 O HETATM 2253 O HOH 201 -9.821 7.770 -12.269 1.00 19.25 O HETATM 2254 O HOH 202 15.756 8.777 -6.884 1.00 31.41 O HETATM 2255 O HOH 203 6.264 16.420 -17.956 1.00 39.57 O HETATM 2256 O HOH 204 10.993 8.491 -9.700 1.00 35.61 O HETATM 2257 O HOH 205 -0.477 16.526 -17.850 1.00 44.83 O HETATM 2258 O HOH 206 -1.328 18.153 -14.180 1.00 23.33 O HETATM 2259 O HOH 207 12.907 10.017 -10.149 1.00 36.34 O HETATM 2260 O HOH 208 4.985 16.641 -2.895 1.00 16.96 O HETATM 2261 O HOH 209 10.869 6.552 -14.319 1.00 30.28 O HETATM 2262 O HOH 210 9.874 19.622 -4.796 1.00 42.48 O HETATM 2263 O HOH 211 3.935 6.973 -22.180 1.00 43.50 O HETATM 2264 O HOH 212 15.056 9.343 -14.745 1.00 47.55 O HETATM 2265 O HOH 213 -3.576 17.520 -13.218 1.00 42.48 O HETATM 2266 O HOH 214 -6.958 14.058 -3.466 1.00 53.29 O HETATM 2267 O HOH 215 16.952 6.475 -0.647 1.00 47.44 O HETATM 2268 O HOH 216 10.579 14.675 -2.984 1.00 42.30 O HETATM 2269 O HOH 217 -3.624 5.164 -0.952 1.00 66.51 O HETATM 2270 O HOH 218 17.878 8.980 -3.169 1.00 54.77 O HETATM 2271 O HOH 219 -9.552 13.257 -15.846 1.00 57.79 O HETATM 2272 O HOH 220 -9.813 14.152 -13.157 1.00 42.35 O HETATM 2273 O HOH 221 -11.199 9.456 -14.202 1.00 30.39 O HETATM 2274 O HOH 222 -10.975 11.885 -12.423 1.00 25.36 O HETATM 2275 O HOH 223 -7.703 14.825 -13.963 1.00 38.87 O HETATM 2276 O HOH 224 16.119 1.723 -7.846 1.00 21.51 O HETATM 2277 O HOH 225 -2.735 8.408 0.234 1.00 40.76 O HETATM 2278 O HOH 226 -10.588 10.072 -8.127 1.00 37.47 O HETATM 2279 O7 D A 49 -2.158 0.256 3.447 1.00 -0.39 O HETATM 2280 C8 D A 49 -0.818 -0.285 3.349 1.00 0.07 C HETATM 2281 C9 D A 49 0.239 0.812 3.383 1.00 0.08 C HETATM 2282 O35 D A 49 0.193 1.693 2.233 1.00 -0.39 O HETATM 2283 H8 D A 49 0.873 2.352 2.313 1.00 0.21 H HETATM 2284 C36 D A 49 1.684 0.340 3.593 1.00 -0.00 C HETATM 2285 C37 D A 49 2.243 -0.844 2.834 1.00 0.05 C HETATM 2286 O10 D A 49 3.684 -0.783 2.881 1.00 -0.38 O HETATM 2287 C11 D A 49 4.406 -1.925 2.608 1.00 0.04 C HETATM 2288 H5 D A 49 5.481 -1.707 2.687 1.00 0.05 H HETATM 2289 H6 D A 49 4.176 -2.270 1.589 1.00 0.05 H HETATM 2290 H7 D A 49 4.138 -2.710 3.330 1.00 0.05 H HETATM 2291 H11 D A 49 1.896 -1.779 3.299 1.00 0.06 H HETATM 2292 H12 D A 49 1.905 -0.807 1.788 1.00 0.06 H HETATM 2293 H9 D A 49 1.780 0.098 4.662 1.00 0.03 H HETATM 2294 H10 D A 49 2.330 1.197 3.352 1.00 0.03 H HETATM 2295 H4 D A 49 -0.011 1.427 4.260 1.00 0.06 H HETATM 2296 H2 D A 49 -0.726 -0.839 2.403 1.00 0.06 H HETATM 2297 H3 D A 49 -0.648 -0.970 4.193 1.00 0.06 H HETATM 2298 H1 D A 49 -2.788 -0.455 3.423 1.00 0.21 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 514 515 519 520 521 CONECT 519 514 CONECT 520 514 CONECT 521 514 CONECT 1027 1028 1032 1033 1034 CONECT 1032 1027 CONECT 1033 1027 CONECT 1034 1027 CONECT 1540 1541 1545 1546 1547 CONECT 1545 1540 CONECT 1546 1540 CONECT 1547 1540 CONECT 2279 2280 2298 CONECT 2280 2279 2281 2296 2297 CONECT 2281 2280 2282 2284 2295 CONECT 2282 2281 2283 CONECT 2283 2282 CONECT 2284 2281 2285 2293 2294 CONECT 2285 2284 2286 2291 2292 CONECT 2286 2285 2287 CONECT 2287 2286 2288 2289 2290 CONECT 2288 2287 CONECT 2289 2287 CONECT 2290 2287 CONECT 2291 2285 CONECT 2292 2285 CONECT 2293 2284 CONECT 2294 2284 CONECT 2295 2281 CONECT 2296 2280 CONECT 2297 2280 CONECT 2298 2279 MASTER 0 0 0 0 0 0 0 0 2294 4 36 20 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 6nxz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6ny0
RCSB PDB
PDBbind
61aa, >6NY0_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6nxz
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
type II dihydrofolate reductase
Ligand Name
D49
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Ki=3.5uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Omega Vol. 4: pp. 10056-10069
Ligand Properties
Formula
C
5
H
1
2
O
3
Molecular Weight
120.147
Exact Mass
120.079
No. of atoms
20
No. of bonds
19
Polar Surface Area
49.69
LOGP Value
-0.87 (
Computed with XLOGP3
)
-0.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
Canonical SMILES
COCC[C@H](CO)O
InChI String
InChI=1S/C5H12O3/c1-8-3-2-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00383
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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