Browse entries in the PDBbind-CN Database
HEADER 6NY0_COMPLEX COMPND 6NY0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 58 ASP ALA THR PHE GLY MET GLY ASP ARG VAL ARG LYS LYS SEQRES 2 A 58 SER GLY ALA ALA TRP GLN GLY GLN ILE VAL GLY TRP TYR SEQRES 3 A 58 CYS THR ASN LEU THR PRO GLU GLY TYR ALA VAL GLU SER SEQRES 4 A 58 GLU ALA HIS PRO GLY SER VAL GLN ILE TYR PRO VAL ALA SEQRES 5 A 58 ALA LEU GLU ARG ILE ASN SEQRES 1 B 58 ASP ALA THR PHE GLY MET GLY ASP ARG VAL ARG LYS LYS SEQRES 2 B 58 SER GLY ALA ALA TRP GLN GLY GLN ILE VAL GLY TRP TYR SEQRES 3 B 58 CYS THR ASN LEU THR PRO GLU GLY TYR ALA VAL GLU SER SEQRES 4 B 58 GLU ALA HIS PRO GLY SER VAL GLN ILE TYR PRO VAL ALA SEQRES 5 B 58 ALA LEU GLU ARG ILE ASN SEQRES 1 C 58 ASP ALA THR PHE GLY MET GLY ASP ARG VAL ARG LYS LYS SEQRES 2 C 58 SER GLY ALA ALA TRP GLN GLY GLN ILE VAL GLY TRP TYR SEQRES 3 C 58 CYS THR ASN LEU THR PRO GLU GLY TYR ALA VAL GLU SER SEQRES 4 C 58 GLU ALA HIS PRO GLY SER VAL GLN ILE TYR PRO VAL ALA SEQRES 5 C 58 ALA LEU GLU ARG ILE ASN SEQRES 1 D 58 ASP ALA THR PHE GLY MET GLY ASP ARG VAL ARG LYS LYS SEQRES 2 D 58 SER GLY ALA ALA TRP GLN GLY GLN ILE VAL GLY TRP TYR SEQRES 3 D 58 CYS THR ASN LEU THR PRO GLU GLY TYR ALA VAL GLU SER SEQRES 4 D 58 GLU ALA HIS PRO GLY SER VAL GLN ILE TYR PRO VAL ALA SEQRES 5 D 58 ALA LEU GLU ARG ILE ASN HET LBA A 465 20 ATOM 1 N ASP A 21 11.155 -6.222 24.731 1.00 64.08 N ATOM 2 CA ASP A 21 10.007 -6.653 23.868 1.00 57.20 C ATOM 3 C ASP A 21 10.171 -5.995 22.492 1.00 48.73 C ATOM 4 O ASP A 21 10.947 -6.541 21.677 1.00 48.68 O ATOM 5 CB ASP A 21 8.647 -6.372 24.525 1.00 56.91 C ATOM 6 CG ASP A 21 8.554 -5.066 25.301 1.00 63.43 C ATOM 7 OD1 ASP A 21 9.562 -4.323 25.348 1.00 66.52 O ATOM 8 OD2 ASP A 21 7.464 -4.792 25.846 1.00 68.09 O ATOM 9 HN3 ASP A 21 11.146 -5.186 24.825 1.00 0.00 H ATOM 10 HN2 ASP A 21 12.049 -6.524 24.293 1.00 0.00 H ATOM 11 HN1 ASP A 21 11.063 -6.658 25.671 1.00 0.00 H ATOM 12 N ALA A 22 9.511 -4.857 22.247 1.00 42.34 N ATOM 13 CA ALA A 22 9.503 -4.192 20.915 1.00 31.40 C ATOM 14 C ALA A 22 10.904 -3.689 20.550 1.00 25.85 C ATOM 15 O ALA A 22 11.596 -2.986 21.335 1.00 29.17 O ATOM 16 CB ALA A 22 8.509 -3.063 20.874 1.00 31.58 C ATOM 17 H ALA A 22 8.978 -4.416 23.024 1.00 0.00 H ATOM 18 N THR A 23 11.287 -3.888 19.299 1.00 20.81 N ATOM 19 CA THR A 23 12.576 -3.465 18.747 1.00 19.47 C ATOM 20 C THR A 23 12.619 -1.945 18.614 1.00 18.87 C ATOM 21 O THR A 23 13.686 -1.330 18.801 1.00 21.36 O ATOM 22 CB THR A 23 12.784 -4.144 17.395 1.00 22.24 C ATOM 23 OG1 THR A 23 12.783 -5.558 17.648 1.00 25.23 O ATOM 24 CG2 THR A 23 14.071 -3.710 16.755 1.00 21.39 C ATOM 25 HG1 THR A 23 12.916 -6.045 16.796 1.00 0.00 H ATOM 26 H THR A 23 10.626 -4.379 18.663 1.00 0.00 H ATOM 27 N PHE A 24 11.532 -1.359 18.126 1.00 16.53 N ATOM 28 CA PHE A 24 11.465 0.094 17.943 1.00 16.85 C ATOM 29 C PHE A 24 10.328 0.668 18.756 1.00 17.46 C ATOM 30 O PHE A 24 9.374 -0.049 19.134 1.00 19.77 O ATOM 31 CB PHE A 24 11.210 0.472 16.467 1.00 15.62 C ATOM 32 CG PHE A 24 12.138 -0.202 15.510 1.00 16.52 C ATOM 33 CD1 PHE A 24 13.503 0.005 15.600 1.00 18.31 C ATOM 34 CD2 PHE A 24 11.680 -0.951 14.429 1.00 17.33 C ATOM 35 CE1 PHE A 24 14.393 -0.602 14.722 1.00 20.40 C ATOM 36 CE2 PHE A 24 12.572 -1.536 13.555 1.00 19.06 C ATOM 37 CZ PHE A 24 13.922 -1.392 13.702 1.00 19.71 C ATOM 38 H PHE A 24 10.711 -1.943 17.868 1.00 0.00 H ATOM 39 N GLY A 25 10.433 1.954 18.993 1.00 17.80 N ATOM 40 CA GLY A 25 9.428 2.760 19.652 1.00 17.59 C ATOM 41 C GLY A 25 8.916 3.858 18.763 1.00 14.46 C ATOM 42 O GLY A 25 9.583 4.239 17.769 1.00 14.50 O ATOM 43 H GLY A 25 11.304 2.430 18.684 1.00 0.00 H ATOM 44 N MET A 26 7.814 4.426 19.167 1.00 15.62 N ATOM 45 CA MET A 26 7.219 5.568 18.477 1.00 14.46 C ATOM 46 C MET A 26 8.269 6.654 18.340 1.00 15.40 C ATOM 47 O MET A 26 8.965 7.038 19.310 1.00 16.75 O ATOM 48 CB MET A 26 5.999 6.152 19.187 1.00 16.10 C ATOM 49 CG MET A 26 4.859 5.146 19.254 1.00 17.10 C ATOM 50 SD MET A 26 4.109 4.847 17.625 1.00 20.13 S ATOM 51 CE MET A 26 3.220 6.378 17.469 1.00 23.83 C ATOM 52 H MET A 26 7.340 4.051 20.014 1.00 0.00 H ATOM 53 N GLY A 27 8.376 7.228 17.178 1.00 13.43 N ATOM 54 CA GLY A 27 9.288 8.309 16.885 1.00 14.13 C ATOM 55 C GLY A 27 10.696 7.922 16.514 1.00 14.65 C ATOM 56 O GLY A 27 11.475 8.796 16.082 1.00 16.09 O ATOM 57 H GLY A 27 7.765 6.886 16.409 1.00 0.00 H ATOM 58 N ASP A 28 11.033 6.648 16.561 1.00 12.32 N ATOM 59 CA ASP A 28 12.373 6.216 16.122 1.00 12.37 C ATOM 60 C ASP A 28 12.495 6.509 14.641 1.00 13.22 C ATOM 61 O ASP A 28 11.504 6.291 13.882 1.00 13.58 O ATOM 62 CB ASP A 28 12.618 4.738 16.361 1.00 12.88 C ATOM 63 CG ASP A 28 12.970 4.309 17.752 1.00 14.97 C ATOM 64 OD1 ASP A 28 13.345 5.200 18.526 1.00 19.40 O ATOM 65 OD2 ASP A 28 12.861 3.116 18.009 1.00 15.76 O ATOM 66 H ASP A 28 10.351 5.945 16.909 1.00 0.00 H ATOM 67 N ARG A 29 13.660 6.895 14.181 1.00 12.66 N ATOM 68 CA ARG A 29 13.946 7.118 12.756 1.00 11.69 C ATOM 69 C ARG A 29 14.461 5.820 12.220 1.00 12.11 C ATOM 70 O ARG A 29 15.472 5.282 12.759 1.00 12.67 O ATOM 71 CB ARG A 29 14.935 8.246 12.537 1.00 12.70 C ATOM 72 CG ARG A 29 15.051 8.707 11.097 1.00 14.30 C ATOM 73 CD ARG A 29 16.115 9.784 10.996 1.00 16.95 C ATOM 74 NE ARG A 29 16.216 10.335 9.650 1.00 18.25 N ATOM 75 CZ ARG A 29 17.243 11.033 9.236 1.00 21.12 C ATOM 76 NH1 ARG A 29 18.348 11.101 9.978 1.00 24.40 N ATOM 77 NH2 ARG A 29 17.195 11.595 8.057 1.00 22.51 N ATOM 78 HE ARG A 29 15.434 10.165 8.986 1.00 0.00 H ATOM 79 HH12 ARG A 29 19.163 11.656 9.647 1.00 0.00 H ATOM 80 HH11 ARG A 29 18.395 10.599 10.888 1.00 0.00 H ATOM 81 HH22 ARG A 29 18.003 12.153 7.714 1.00 0.00 H ATOM 82 HH21 ARG A 29 16.349 11.484 7.462 1.00 0.00 H ATOM 83 H ARG A 29 14.428 7.053 14.864 1.00 0.00 H ATOM 84 N VAL A 30 13.840 5.292 11.187 1.00 10.69 N ATOM 85 CA VAL A 30 14.203 3.992 10.640 1.00 10.93 C ATOM 86 C VAL A 30 14.260 4.087 9.117 1.00 9.73 C ATOM 87 O VAL A 30 13.687 5.015 8.520 1.00 10.48 O ATOM 88 CB VAL A 30 13.235 2.894 11.091 1.00 10.98 C ATOM 89 CG1 VAL A 30 13.239 2.736 12.588 1.00 11.66 C ATOM 90 CG2 VAL A 30 11.831 3.142 10.564 1.00 10.99 C ATOM 91 H VAL A 30 13.062 5.822 10.745 1.00 0.00 H ATOM 92 N ARG A 31 14.887 3.099 8.526 1.00 10.08 N ATOM 93 CA ARG A 31 14.861 2.942 7.063 1.00 10.60 C ATOM 94 C ARG A 31 14.707 1.479 6.710 1.00 10.89 C ATOM 95 O ARG A 31 15.123 0.580 7.454 1.00 11.34 O ATOM 96 CB ARG A 31 16.117 3.510 6.432 1.00 12.34 C ATOM 97 CG ARG A 31 17.388 2.751 6.734 1.00 13.14 C ATOM 98 CD ARG A 31 18.568 3.517 6.129 1.00 16.10 C ATOM 99 NE ARG A 31 19.730 2.779 6.481 1.00 21.24 N ATOM 100 CZ ARG A 31 20.974 3.261 6.444 1.00 24.60 C ATOM 101 NH1 ARG A 31 21.962 2.444 6.774 1.00 26.49 N ATOM 102 NH2 ARG A 31 21.215 4.498 6.047 1.00 27.05 N ATOM 103 HE ARG A 31 19.602 1.794 6.789 1.00 0.00 H ATOM 104 HH12 ARG A 31 22.945 2.783 6.757 1.00 0.00 H ATOM 105 HH11 ARG A 31 21.755 1.463 7.050 1.00 0.00 H ATOM 106 HH22 ARG A 31 22.191 4.856 6.025 1.00 0.00 H ATOM 107 HH21 ARG A 31 20.429 5.114 5.757 1.00 0.00 H ATOM 108 H ARG A 31 15.413 2.412 9.103 1.00 0.00 H ATOM 109 N LYS A 32 14.234 1.230 5.491 1.00 10.21 N ATOM 110 CA LYS A 32 14.335 -0.112 4.927 1.00 10.83 C ATOM 111 C LYS A 32 15.789 -0.498 4.700 1.00 11.37 C ATOM 112 O LYS A 32 16.549 0.290 4.160 1.00 12.83 O ATOM 113 CB LYS A 32 13.581 -0.160 3.620 1.00 12.11 C ATOM 114 CG LYS A 32 12.084 -0.182 3.717 1.00 13.22 C ATOM 115 CD LYS A 32 11.542 -1.547 3.916 1.00 15.04 C ATOM 116 CE LYS A 32 11.140 -2.316 2.673 1.00 13.01 C ATOM 117 NZ LYS A 32 12.261 -2.619 1.742 1.00 12.78 N ATOM 118 HZ1 LYS A 32 12.693 -1.729 1.420 1.00 0.00 H ATOM 119 HZ2 LYS A 32 12.974 -3.193 2.235 1.00 0.00 H ATOM 120 HZ3 LYS A 32 11.897 -3.145 0.922 1.00 0.00 H ATOM 121 H LYS A 32 13.792 1.993 4.940 1.00 0.00 H ATOM 122 N LYS A 33 16.089 -1.754 5.037 1.00 12.01 N ATOM 123 CA LYS A 33 17.445 -2.298 4.904 1.00 12.86 C ATOM 124 C LYS A 33 17.752 -2.486 3.456 1.00 13.89 C ATOM 125 O LYS A 33 18.979 -2.405 3.138 1.00 16.59 O ATOM 126 CB LYS A 33 17.571 -3.597 5.699 1.00 14.21 C ATOM 127 CG LYS A 33 17.569 -3.482 7.194 1.00 16.98 C ATOM 128 CD LYS A 33 17.687 -4.903 7.792 1.00 21.38 C ATOM 129 CE LYS A 33 17.544 -4.966 9.280 1.00 24.71 C ATOM 130 NZ LYS A 33 17.536 -6.387 9.694 1.00 26.23 N ATOM 131 HZ1 LYS A 33 16.737 -6.875 9.240 1.00 0.00 H ATOM 132 HZ2 LYS A 33 18.428 -6.836 9.404 1.00 0.00 H ATOM 133 HZ3 LYS A 33 17.437 -6.445 10.728 1.00 0.00 H ATOM 134 H LYS A 33 15.336 -2.368 5.407 1.00 0.00 H ATOM 135 N SER A 34 16.820 -2.933 2.652 1.00 11.88 N ATOM 136 CA SER A 34 17.162 -3.390 1.298 1.00 12.23 C ATOM 137 C SER A 34 15.957 -3.261 0.417 1.00 12.93 C ATOM 138 O SER A 34 14.834 -3.005 0.908 1.00 13.54 O ATOM 139 CB SER A 34 17.750 -4.716 1.375 1.00 16.08 C ATOM 140 OG SER A 34 16.778 -5.667 1.648 1.00 19.76 O ATOM 141 HG SER A 34 16.346 -5.457 2.514 1.00 0.00 H ATOM 142 H SER A 34 15.832 -2.965 2.974 1.00 0.00 H ATOM 143 N GLY A 35 16.098 -3.452 -0.874 1.00 12.24 N ATOM 144 CA GLY A 35 14.941 -3.429 -1.746 1.00 11.53 C ATOM 145 C GLY A 35 14.368 -2.059 -1.859 1.00 11.12 C ATOM 146 O GLY A 35 15.093 -1.059 -1.857 1.00 12.93 O ATOM 147 H GLY A 35 17.044 -3.620 -1.272 1.00 0.00 H ATOM 148 N ALA A 36 13.056 -1.957 -1.890 1.00 11.11 N ATOM 149 CA ALA A 36 12.414 -0.661 -2.029 1.00 10.89 C ATOM 150 C ALA A 36 12.798 0.210 -0.852 1.00 10.68 C ATOM 151 O ALA A 36 12.782 -0.234 0.329 1.00 12.44 O ATOM 152 CB ALA A 36 10.922 -0.858 -2.087 1.00 11.84 C ATOM 153 H ALA A 36 12.472 -2.814 -1.814 1.00 0.00 H ATOM 154 N ALA A 37 13.108 1.445 -1.100 1.00 9.83 N ATOM 155 CA ALA A 37 13.570 2.329 -0.045 1.00 10.02 C ATOM 156 C ALA A 37 12.398 2.950 0.687 1.00 9.96 C ATOM 157 O ALA A 37 11.307 3.197 0.194 1.00 11.33 O ATOM 158 CB ALA A 37 14.417 3.435 -0.594 1.00 10.94 C ATOM 159 H ALA A 37 13.024 1.808 -2.071 1.00 0.00 H ATOM 160 N TRP A 38 12.604 3.224 1.974 1.00 9.85 N ATOM 161 CA TRP A 38 11.670 4.013 2.806 1.00 9.35 C ATOM 162 C TRP A 38 12.395 4.512 4.016 1.00 9.78 C ATOM 163 O TRP A 38 13.258 3.800 4.519 1.00 10.87 O ATOM 164 CB TRP A 38 10.485 3.212 3.305 1.00 9.20 C ATOM 165 CG TRP A 38 9.351 4.052 3.774 1.00 8.94 C ATOM 166 CD1 TRP A 38 8.984 4.388 5.048 1.00 10.38 C ATOM 167 CD2 TRP A 38 8.429 4.711 2.922 1.00 8.32 C ATOM 168 NE1 TRP A 38 7.848 5.164 5.030 1.00 9.74 N ATOM 169 CE2 TRP A 38 7.459 5.313 3.747 1.00 8.80 C ATOM 170 CE3 TRP A 38 8.365 4.929 1.546 1.00 9.31 C ATOM 171 CZ2 TRP A 38 6.410 6.043 3.240 1.00 9.84 C ATOM 172 CZ3 TRP A 38 7.317 5.657 1.063 1.00 9.84 C ATOM 173 CH2 TRP A 38 6.394 6.238 1.909 1.00 10.25 C ATOM 174 HE1 TRP A 38 7.371 5.566 5.862 1.00 0.00 H ATOM 175 H TRP A 38 13.471 2.862 2.419 1.00 0.00 H ATOM 176 N GLN A 39 12.121 5.714 4.444 1.00 10.13 N ATOM 177 CA GLN A 39 12.838 6.254 5.616 1.00 9.83 C ATOM 178 C GLN A 39 11.942 7.260 6.299 1.00 10.75 C ATOM 179 O GLN A 39 11.333 8.116 5.617 1.00 11.12 O ATOM 180 CB GLN A 39 14.118 6.900 5.115 1.00 11.27 C ATOM 181 CG GLN A 39 15.027 7.404 6.209 1.00 12.13 C ATOM 182 CD GLN A 39 16.409 7.646 5.701 1.00 13.58 C ATOM 183 OE1 GLN A 39 17.095 6.738 5.236 1.00 14.48 O ATOM 184 NE2 GLN A 39 16.842 8.874 5.814 1.00 15.87 N ATOM 185 HE22 GLN A 39 16.224 9.609 6.214 1.00 0.00 H ATOM 186 HE21 GLN A 39 17.805 9.117 5.504 1.00 0.00 H ATOM 187 H GLN A 39 11.401 6.289 3.962 1.00 0.00 H ATOM 188 N GLY A 40 11.883 7.203 7.610 1.00 10.03 N ATOM 189 CA GLY A 40 11.133 8.168 8.384 1.00 9.97 C ATOM 190 C GLY A 40 10.890 7.659 9.774 1.00 11.05 C ATOM 191 O GLY A 40 11.703 6.901 10.300 1.00 12.29 O ATOM 192 H GLY A 40 12.390 6.442 8.106 1.00 0.00 H ATOM 193 N GLN A 41 9.810 8.066 10.374 1.00 10.71 N ATOM 194 CA GLN A 41 9.581 7.841 11.805 1.00 10.91 C ATOM 195 C GLN A 41 8.583 6.724 11.997 1.00 10.52 C ATOM 196 O GLN A 41 7.553 6.613 11.299 1.00 10.27 O ATOM 197 CB GLN A 41 9.088 9.092 12.505 1.00 14.75 C ATOM 198 CG GLN A 41 10.266 10.049 12.701 1.00 19.61 C ATOM 199 CD GLN A 41 9.844 11.206 13.568 1.00 28.28 C ATOM 200 OE1 GLN A 41 9.632 11.071 14.774 1.00 35.69 O ATOM 201 NE2 GLN A 41 9.605 12.313 12.907 1.00 28.19 N ATOM 202 HE22 GLN A 41 9.806 12.364 11.888 1.00 0.00 H ATOM 203 HE21 GLN A 41 9.215 13.140 13.402 1.00 0.00 H ATOM 204 H GLN A 41 9.086 8.567 9.821 1.00 0.00 H ATOM 205 N ILE A 42 8.817 5.951 13.035 1.00 10.15 N ATOM 206 CA ILE A 42 7.837 4.954 13.495 1.00 9.76 C ATOM 207 C ILE A 42 6.608 5.691 14.014 1.00 10.44 C ATOM 208 O ILE A 42 6.745 6.569 14.904 1.00 10.79 O ATOM 209 CB ILE A 42 8.411 4.075 14.615 1.00 10.78 C ATOM 210 CG1 ILE A 42 9.629 3.285 14.154 1.00 11.91 C ATOM 211 CG2 ILE A 42 7.359 3.189 15.254 1.00 11.84 C ATOM 212 CD1 ILE A 42 9.316 2.158 13.269 1.00 12.61 C ATOM 213 H ILE A 42 9.719 6.047 13.544 1.00 0.00 H ATOM 214 N VAL A 43 5.424 5.391 13.464 1.00 9.52 N ATOM 215 CA VAL A 43 4.141 5.997 13.847 1.00 9.55 C ATOM 216 C VAL A 43 3.115 4.942 14.214 1.00 9.90 C ATOM 217 O VAL A 43 1.971 5.278 14.507 1.00 10.89 O ATOM 218 CB VAL A 43 3.606 6.900 12.726 1.00 10.05 C ATOM 219 CG1 VAL A 43 4.533 8.097 12.535 1.00 10.40 C ATOM 220 CG2 VAL A 43 3.392 6.140 11.456 1.00 9.41 C ATOM 221 H VAL A 43 5.412 4.676 12.709 1.00 0.00 H ATOM 222 N GLY A 44 3.472 3.662 14.251 1.00 9.88 N ATOM 223 CA GLY A 44 2.535 2.631 14.707 1.00 10.88 C ATOM 224 C GLY A 44 3.125 1.266 14.540 1.00 10.17 C ATOM 225 O GLY A 44 4.310 1.101 14.311 1.00 10.07 O ATOM 226 H GLY A 44 4.430 3.388 13.952 1.00 0.00 H ATOM 227 N TRP A 45 2.261 0.288 14.736 1.00 11.20 N ATOM 228 CA TRP A 45 2.663 -1.108 14.891 1.00 11.88 C ATOM 229 C TRP A 45 1.551 -2.016 14.476 1.00 11.65 C ATOM 230 O TRP A 45 0.374 -1.616 14.458 1.00 12.35 O ATOM 231 CB TRP A 45 3.136 -1.359 16.293 1.00 15.03 C ATOM 232 CG TRP A 45 3.061 -2.727 16.956 1.00 19.14 C ATOM 233 CD1 TRP A 45 4.166 -3.540 17.061 1.00 22.10 C ATOM 234 CD2 TRP A 45 1.966 -3.501 17.459 1.00 20.50 C ATOM 235 NE1 TRP A 45 3.825 -4.770 17.551 1.00 23.79 N ATOM 236 CE2 TRP A 45 2.486 -4.780 17.790 1.00 20.88 C ATOM 237 CE3 TRP A 45 0.613 -3.263 17.620 1.00 22.31 C ATOM 238 CZ2 TRP A 45 1.723 -5.750 18.420 1.00 20.95 C ATOM 239 CZ3 TRP A 45 -0.172 -4.277 18.135 1.00 23.48 C ATOM 240 CH2 TRP A 45 0.383 -5.488 18.542 1.00 23.72 C ATOM 241 HE1 TRP A 45 4.478 -5.563 17.713 1.00 0.00 H ATOM 242 H TRP A 45 1.249 0.521 14.782 1.00 0.00 H ATOM 243 N TYR A 46 1.896 -3.216 14.053 1.00 11.13 N ATOM 244 CA TYR A 46 0.892 -4.230 13.742 1.00 10.54 C ATOM 245 C TYR A 46 1.489 -5.603 13.981 1.00 11.05 C ATOM 246 O TYR A 46 2.693 -5.772 14.046 1.00 11.36 O ATOM 247 CB TYR A 46 0.344 -4.066 12.331 1.00 10.72 C ATOM 248 CG TYR A 46 1.274 -4.406 11.208 1.00 10.89 C ATOM 249 CD1 TYR A 46 2.343 -3.580 10.862 1.00 11.01 C ATOM 250 CD2 TYR A 46 1.164 -5.581 10.454 1.00 11.59 C ATOM 251 CE1 TYR A 46 3.229 -3.917 9.894 1.00 11.63 C ATOM 252 CE2 TYR A 46 2.011 -5.891 9.423 1.00 12.48 C ATOM 253 CZ TYR A 46 3.075 -5.049 9.143 1.00 11.70 C ATOM 254 OH TYR A 46 3.934 -5.329 8.112 1.00 13.81 O ATOM 255 HH TYR A 46 4.365 -6.206 8.272 1.00 0.00 H ATOM 256 H TYR A 46 2.904 -3.445 13.938 1.00 0.00 H ATOM 257 N CYS A 47 0.579 -6.587 14.043 1.00 11.70 N ATOM 258 CA CYS A 47 0.934 -7.958 14.429 1.00 11.88 C ATOM 259 C CYS A 47 -0.015 -8.890 13.717 1.00 11.24 C ATOM 260 O CYS A 47 -1.224 -8.870 13.970 1.00 12.68 O ATOM 261 CB CYS A 47 0.837 -8.071 15.949 1.00 12.93 C ATOM 262 SG CYS A 47 0.980 -9.767 16.548 1.00 15.54 S ATOM 263 H CYS A 47 -0.411 -6.371 13.810 1.00 0.00 H ATOM 264 N THR A 48 0.552 -9.712 12.852 1.00 10.33 N ATOM 265 CA THR A 48 -0.146 -10.787 12.149 1.00 10.72 C ATOM 266 C THR A 48 0.641 -12.070 12.278 1.00 10.11 C ATOM 267 O THR A 48 1.777 -12.052 12.684 1.00 11.39 O ATOM 268 CB THR A 48 -0.399 -10.511 10.680 1.00 10.95 C ATOM 269 OG1 THR A 48 0.858 -10.530 10.042 1.00 11.19 O ATOM 270 CG2 THR A 48 -1.123 -9.202 10.449 1.00 12.39 C ATOM 271 HG1 THR A 48 0.739 -10.353 9.075 1.00 0.00 H ATOM 272 H THR A 48 1.566 -9.585 12.658 1.00 0.00 H ATOM 273 N ASN A 49 0.034 -13.181 11.907 1.00 10.50 N ATOM 274 CA ASN A 49 0.806 -14.425 11.931 1.00 11.41 C ATOM 275 C ASN A 49 1.998 -14.361 10.986 1.00 10.99 C ATOM 276 O ASN A 49 3.066 -14.886 11.300 1.00 11.17 O ATOM 277 CB ASN A 49 -0.045 -15.645 11.599 1.00 12.03 C ATOM 278 CG ASN A 49 -0.852 -16.148 12.771 1.00 14.72 C ATOM 279 OD1 ASN A 49 -0.608 -17.249 13.292 1.00 16.68 O ATOM 280 ND2 ASN A 49 -1.725 -15.349 13.284 1.00 17.24 N ATOM 281 HD22 ASN A 49 -1.917 -14.431 12.835 1.00 0.00 H ATOM 282 HD21 ASN A 49 -2.237 -15.623 14.147 1.00 0.00 H ATOM 283 H ASN A 49 -0.962 -13.174 11.607 1.00 0.00 H ATOM 284 N LEU A 50 1.856 -13.743 9.820 1.00 11.50 N ATOM 285 CA LEU A 50 2.953 -13.634 8.868 1.00 12.09 C ATOM 286 C LEU A 50 3.981 -12.637 9.356 1.00 11.58 C ATOM 287 O LEU A 50 5.163 -12.829 9.111 1.00 13.17 O ATOM 288 CB LEU A 50 2.400 -13.160 7.532 1.00 16.63 C ATOM 289 CG LEU A 50 3.378 -12.888 6.424 1.00 20.29 C ATOM 290 CD1 LEU A 50 3.967 -14.225 6.007 1.00 20.81 C ATOM 291 CD2 LEU A 50 2.645 -12.241 5.257 1.00 21.64 C ATOM 292 H LEU A 50 0.935 -13.325 9.579 1.00 0.00 H ATOM 293 N THR A 51 3.552 -11.575 10.043 1.00 11.48 N ATOM 294 CA THR A 51 4.424 -10.499 10.528 1.00 11.24 C ATOM 295 C THR A 51 4.097 -10.259 11.980 1.00 11.41 C ATOM 296 O THR A 51 3.333 -9.341 12.293 1.00 11.43 O ATOM 297 CB THR A 51 4.226 -9.246 9.687 1.00 12.61 C ATOM 298 OG1 THR A 51 4.469 -9.577 8.308 1.00 14.93 O ATOM 299 CG2 THR A 51 5.115 -8.125 10.156 1.00 13.00 C ATOM 300 HG1 THR A 51 4.343 -8.770 7.749 1.00 0.00 H ATOM 301 H THR A 51 2.535 -11.506 10.247 1.00 0.00 H ATOM 302 N PRO A 52 4.622 -11.053 12.894 1.00 12.03 N ATOM 303 CA PRO A 52 4.257 -10.893 14.293 1.00 11.92 C ATOM 304 C PRO A 52 4.772 -9.628 14.946 1.00 12.98 C ATOM 305 O PRO A 52 4.265 -9.219 16.001 1.00 14.40 O ATOM 306 CB PRO A 52 4.814 -12.152 14.962 1.00 13.79 C ATOM 307 CG PRO A 52 5.869 -12.572 14.060 1.00 14.41 C ATOM 308 CD PRO A 52 5.427 -12.257 12.649 1.00 13.28 C ATOM 309 N GLU A 53 5.741 -8.963 14.331 1.00 11.93 N ATOM 310 CA GLU A 53 6.226 -7.654 14.801 1.00 11.35 C ATOM 311 C GLU A 53 6.425 -6.781 13.578 1.00 11.59 C ATOM 312 O GLU A 53 7.396 -6.951 12.842 1.00 13.05 O ATOM 313 CB GLU A 53 7.529 -7.782 15.592 1.00 13.53 C ATOM 314 CG GLU A 53 8.016 -6.482 16.174 1.00 14.07 C ATOM 315 CD GLU A 53 9.291 -6.556 16.954 1.00 17.58 C ATOM 316 OE1 GLU A 53 9.803 -7.693 17.228 1.00 19.31 O ATOM 317 OE2 GLU A 53 9.814 -5.508 17.304 1.00 16.18 O ATOM 318 H GLU A 53 6.175 -9.382 13.484 1.00 0.00 H ATOM 319 N GLY A 54 5.460 -5.914 13.348 1.00 11.31 N ATOM 320 CA GLY A 54 5.483 -4.998 12.184 1.00 11.07 C ATOM 321 C GLY A 54 5.369 -3.568 12.666 1.00 9.93 C ATOM 322 O GLY A 54 4.806 -3.293 13.728 1.00 10.48 O ATOM 323 H GLY A 54 4.655 -5.871 14.005 1.00 0.00 H ATOM 324 N TYR A 55 5.833 -2.681 11.814 1.00 9.36 N ATOM 325 CA TYR A 55 5.823 -1.246 12.134 1.00 9.85 C ATOM 326 C TYR A 55 5.234 -0.447 10.991 1.00 9.81 C ATOM 327 O TYR A 55 5.437 -0.744 9.835 1.00 10.00 O ATOM 328 CB TYR A 55 7.208 -0.720 12.495 1.00 10.46 C ATOM 329 CG TYR A 55 7.713 -1.349 13.772 1.00 11.11 C ATOM 330 CD1 TYR A 55 7.374 -0.791 14.971 1.00 12.28 C ATOM 331 CD2 TYR A 55 8.449 -2.509 13.762 1.00 12.34 C ATOM 332 CE1 TYR A 55 7.773 -1.378 16.165 1.00 13.13 C ATOM 333 CE2 TYR A 55 8.880 -3.098 14.955 1.00 11.85 C ATOM 334 CZ TYR A 55 8.552 -2.509 16.125 1.00 14.19 C ATOM 335 OH TYR A 55 8.940 -3.081 17.334 1.00 16.29 O ATOM 336 HH TYR A 55 8.551 -3.988 17.408 1.00 0.00 H ATOM 337 H TYR A 55 6.213 -2.999 10.900 1.00 0.00 H ATOM 338 N ALA A 56 4.541 0.621 11.352 1.00 9.68 N ATOM 339 CA ALA A 56 4.128 1.671 10.421 1.00 9.45 C ATOM 340 C ALA A 56 5.175 2.775 10.457 1.00 9.63 C ATOM 341 O ALA A 56 5.531 3.221 11.552 1.00 10.18 O ATOM 342 CB ALA A 56 2.779 2.218 10.789 1.00 10.00 C ATOM 343 H ALA A 56 4.275 0.719 12.353 1.00 0.00 H ATOM 344 N VAL A 57 5.607 3.229 9.302 1.00 8.92 N ATOM 345 CA VAL A 57 6.657 4.254 9.176 1.00 8.54 C ATOM 346 C VAL A 57 6.120 5.355 8.288 1.00 9.01 C ATOM 347 O VAL A 57 5.778 5.122 7.107 1.00 9.41 O ATOM 348 CB VAL A 57 7.911 3.654 8.571 1.00 9.79 C ATOM 349 CG1 VAL A 57 9.051 4.671 8.543 1.00 9.92 C ATOM 350 CG2 VAL A 57 8.383 2.371 9.274 1.00 10.32 C ATOM 351 H VAL A 57 5.186 2.845 8.432 1.00 0.00 H ATOM 352 N GLU A 58 6.119 6.568 8.819 1.00 8.90 N ATOM 353 CA GLU A 58 5.730 7.743 8.024 1.00 9.62 C ATOM 354 C GLU A 58 6.952 8.279 7.312 1.00 9.41 C ATOM 355 O GLU A 58 7.980 8.528 7.964 1.00 10.63 O ATOM 356 CB GLU A 58 5.126 8.805 8.916 1.00 10.18 C ATOM 357 CG GLU A 58 4.629 10.013 8.125 1.00 10.49 C ATOM 358 CD GLU A 58 3.981 11.081 8.948 1.00 11.81 C ATOM 359 OE1 GLU A 58 4.075 11.052 10.191 1.00 13.18 O ATOM 360 OE2 GLU A 58 3.415 12.046 8.369 1.00 13.80 O ATOM 361 H GLU A 58 6.397 6.692 9.813 1.00 0.00 H ATOM 362 N SER A 59 6.888 8.456 6.025 1.00 9.27 N ATOM 363 CA SER A 59 8.035 8.996 5.262 1.00 9.45 C ATOM 364 C SER A 59 8.424 10.384 5.788 1.00 10.29 C ATOM 365 O SER A 59 7.549 11.245 5.980 1.00 11.69 O ATOM 366 CB SER A 59 7.668 9.096 3.827 1.00 10.24 C ATOM 367 OG SER A 59 8.678 9.794 3.101 1.00 10.88 O ATOM 368 HG SER A 59 9.536 9.307 3.181 1.00 0.00 H ATOM 369 H SER A 59 6.011 8.213 5.521 1.00 0.00 H ATOM 370 N GLU A 60 9.700 10.613 5.923 1.00 10.97 N ATOM 371 CA GLU A 60 10.218 11.963 6.239 1.00 11.52 C ATOM 372 C GLU A 60 10.300 12.791 4.998 1.00 12.60 C ATOM 373 O GLU A 60 10.431 14.031 5.165 1.00 15.88 O ATOM 374 CB GLU A 60 11.554 11.841 6.944 1.00 12.98 C ATOM 375 CG GLU A 60 12.698 11.313 6.148 1.00 13.74 C ATOM 376 CD GLU A 60 13.937 10.930 6.932 1.00 15.78 C ATOM 377 OE1 GLU A 60 13.826 10.634 8.148 1.00 17.76 O ATOM 378 OE2 GLU A 60 15.006 10.979 6.289 1.00 17.66 O ATOM 379 H GLU A 60 10.371 9.827 5.806 1.00 0.00 H ATOM 380 N ALA A 61 10.233 12.226 3.823 1.00 10.98 N ATOM 381 CA ALA A 61 10.234 12.966 2.550 1.00 11.95 C ATOM 382 C ALA A 61 8.837 13.311 2.084 1.00 12.41 C ATOM 383 O ALA A 61 8.633 14.362 1.442 1.00 12.70 O ATOM 384 CB ALA A 61 10.895 12.183 1.484 1.00 11.32 C ATOM 385 H ALA A 61 10.175 11.188 3.784 1.00 0.00 H ATOM 386 N HIS A 62 7.865 12.493 2.443 1.00 10.79 N ATOM 387 CA HIS A 62 6.481 12.559 1.941 1.00 10.42 C ATOM 388 C HIS A 62 5.559 12.557 3.151 1.00 10.71 C ATOM 389 O HIS A 62 4.960 11.530 3.484 1.00 10.67 O ATOM 390 CB HIS A 62 6.163 11.392 1.006 1.00 10.59 C ATOM 391 CG HIS A 62 7.037 11.225 -0.173 1.00 10.42 C ATOM 392 ND1 HIS A 62 7.365 12.231 -1.029 1.00 12.48 N ATOM 393 CD2 HIS A 62 7.679 10.131 -0.640 1.00 12.29 C ATOM 394 CE1 HIS A 62 8.132 11.716 -2.019 1.00 11.53 C ATOM 395 NE2 HIS A 62 8.339 10.453 -1.800 1.00 12.60 N ATOM 396 H HIS A 62 8.093 11.747 3.131 1.00 0.00 H ATOM 397 N PRO A 63 5.424 13.693 3.857 1.00 11.02 N ATOM 398 CA PRO A 63 4.595 13.741 5.040 1.00 10.95 C ATOM 399 C PRO A 63 3.204 13.196 4.775 1.00 10.25 C ATOM 400 O PRO A 63 2.538 13.469 3.768 1.00 10.80 O ATOM 401 CB PRO A 63 4.514 15.225 5.390 1.00 13.88 C ATOM 402 CG PRO A 63 5.725 15.789 4.797 1.00 15.39 C ATOM 403 CD PRO A 63 6.059 14.975 3.567 1.00 12.82 C ATOM 404 N GLY A 64 2.702 12.385 5.720 1.00 9.97 N ATOM 405 CA GLY A 64 1.372 11.816 5.678 1.00 10.38 C ATOM 406 C GLY A 64 1.347 10.456 5.041 1.00 9.87 C ATOM 407 O GLY A 64 0.361 9.740 5.225 1.00 11.61 O ATOM 408 H GLY A 64 3.307 12.151 6.533 1.00 0.00 H ATOM 409 N SER A 65 2.358 10.120 4.251 1.00 9.92 N ATOM 410 CA SER A 65 2.385 8.786 3.618 1.00 9.01 C ATOM 411 C SER A 65 3.047 7.817 4.538 1.00 9.68 C ATOM 412 O SER A 65 4.145 8.068 5.031 1.00 10.03 O ATOM 413 CB SER A 65 3.089 8.822 2.290 1.00 10.20 C ATOM 414 OG SER A 65 2.163 9.431 1.331 1.00 12.64 O ATOM 415 HG SER A 65 1.339 8.884 1.276 1.00 0.00 H ATOM 416 H SER A 65 3.130 10.795 4.078 1.00 0.00 H ATOM 417 N VAL A 66 2.381 6.711 4.734 1.00 9.62 N ATOM 418 CA VAL A 66 2.776 5.667 5.692 1.00 10.11 C ATOM 419 C VAL A 66 2.869 4.346 5.005 1.00 10.65 C ATOM 420 O VAL A 66 1.960 4.025 4.210 1.00 11.55 O ATOM 421 CB VAL A 66 1.811 5.584 6.883 1.00 9.69 C ATOM 422 CG1 VAL A 66 2.182 4.505 7.868 1.00 10.61 C ATOM 423 CG2 VAL A 66 1.709 6.916 7.574 1.00 11.20 C ATOM 424 H VAL A 66 1.516 6.559 4.177 1.00 0.00 H ATOM 425 N GLN A 67 3.917 3.593 5.258 1.00 9.62 N ATOM 426 CA GLN A 67 4.018 2.207 4.784 1.00 11.06 C ATOM 427 C GLN A 67 4.280 1.343 5.984 1.00 10.25 C ATOM 428 O GLN A 67 4.811 1.782 6.999 1.00 11.11 O ATOM 429 CB GLN A 67 5.080 2.069 3.709 1.00 12.80 C ATOM 430 CG GLN A 67 4.718 2.656 2.362 1.00 22.25 C ATOM 431 CD GLN A 67 4.563 1.744 1.169 1.00 34.97 C ATOM 432 OE1 GLN A 67 3.812 0.765 1.200 1.00 49.45 O ATOM 433 NE2 GLN A 67 5.186 2.138 0.062 1.00 47.06 N ATOM 434 HE22 GLN A 67 5.810 2.970 0.084 1.00 0.00 H ATOM 435 HE21 GLN A 67 5.049 1.614 -0.826 1.00 0.00 H ATOM 436 H GLN A 67 4.701 3.993 5.813 1.00 0.00 H ATOM 437 N ILE A 68 3.912 0.086 5.883 1.00 10.21 N ATOM 438 CA ILE A 68 4.041 -0.923 6.960 1.00 10.25 C ATOM 439 C ILE A 68 5.005 -2.018 6.507 1.00 9.47 C ATOM 440 O ILE A 68 4.935 -2.511 5.340 1.00 11.12 O ATOM 441 CB ILE A 68 2.687 -1.456 7.384 1.00 11.62 C ATOM 442 CG1 ILE A 68 1.902 -2.059 6.236 1.00 14.10 C ATOM 443 CG2 ILE A 68 1.918 -0.427 8.137 1.00 14.14 C ATOM 444 CD1 ILE A 68 0.643 -2.789 6.691 1.00 16.62 C ATOM 445 H ILE A 68 3.499 -0.224 4.980 1.00 0.00 H ATOM 446 N TYR A 69 5.843 -2.416 7.430 1.00 9.35 N ATOM 447 CA TYR A 69 6.884 -3.411 7.156 1.00 10.01 C ATOM 448 C TYR A 69 7.143 -4.300 8.361 1.00 10.23 C ATOM 449 O TYR A 69 7.059 -3.842 9.497 1.00 10.17 O ATOM 450 CB TYR A 69 8.221 -2.783 6.773 1.00 10.66 C ATOM 451 CG TYR A 69 8.153 -1.832 5.594 1.00 11.19 C ATOM 452 CD1 TYR A 69 8.015 -2.251 4.309 1.00 12.47 C ATOM 453 CD2 TYR A 69 8.149 -0.486 5.849 1.00 11.66 C ATOM 454 CE1 TYR A 69 7.949 -1.333 3.266 1.00 13.31 C ATOM 455 CE2 TYR A 69 8.100 0.446 4.838 1.00 13.29 C ATOM 456 CZ TYR A 69 7.997 0.012 3.542 1.00 12.52 C ATOM 457 OH TYR A 69 7.985 0.991 2.524 1.00 15.68 O ATOM 458 HH TYR A 69 7.907 0.548 1.642 1.00 0.00 H ATOM 459 H TYR A 69 5.768 -2.014 8.386 1.00 0.00 H ATOM 460 N PRO A 70 7.612 -5.535 8.118 1.00 10.56 N ATOM 461 CA PRO A 70 8.109 -6.364 9.215 1.00 10.86 C ATOM 462 C PRO A 70 9.355 -5.768 9.824 1.00 11.22 C ATOM 463 O PRO A 70 10.148 -5.136 9.147 1.00 11.08 O ATOM 464 CB PRO A 70 8.444 -7.694 8.542 1.00 11.49 C ATOM 465 CG PRO A 70 7.693 -7.674 7.265 1.00 12.14 C ATOM 466 CD PRO A 70 7.669 -6.217 6.823 1.00 10.87 C ATOM 467 N VAL A 71 9.561 -6.026 11.081 1.00 10.76 N ATOM 468 CA VAL A 71 10.747 -5.533 11.801 1.00 12.45 C ATOM 469 C VAL A 71 12.018 -5.962 11.075 1.00 12.12 C ATOM 470 O VAL A 71 12.957 -5.125 11.032 1.00 14.24 O ATOM 471 CB VAL A 71 10.718 -5.977 13.276 1.00 13.58 C ATOM 472 CG1 VAL A 71 10.837 -7.500 13.435 1.00 14.48 C ATOM 473 CG2 VAL A 71 11.799 -5.259 14.069 1.00 15.68 C ATOM 474 H VAL A 71 8.864 -6.601 11.596 1.00 0.00 H ATOM 475 N ALA A 72 12.088 -7.167 10.541 1.00 12.69 N ATOM 476 CA ALA A 72 13.339 -7.632 9.904 1.00 13.48 C ATOM 477 C ALA A 72 13.717 -6.763 8.721 1.00 13.76 C ATOM 478 O ALA A 72 14.880 -6.826 8.265 1.00 14.96 O ATOM 479 CB ALA A 72 13.152 -9.071 9.479 1.00 16.10 C ATOM 480 H ALA A 72 11.258 -7.793 10.568 1.00 0.00 H ATOM 481 N ALA A 73 12.781 -6.045 8.136 1.00 12.24 N ATOM 482 CA ALA A 73 12.995 -5.226 6.956 1.00 12.01 C ATOM 483 C ALA A 73 13.580 -3.856 7.345 1.00 11.76 C ATOM 484 O ALA A 73 13.912 -3.146 6.387 1.00 11.78 O ATOM 485 CB ALA A 73 11.734 -5.071 6.162 1.00 11.82 C ATOM 486 H ALA A 73 11.825 -6.066 8.546 1.00 0.00 H ATOM 487 N LEU A 74 13.604 -3.476 8.607 1.00 11.56 N ATOM 488 CA LEU A 74 13.893 -2.095 9.032 1.00 11.61 C ATOM 489 C LEU A 74 15.126 -2.061 9.899 1.00 12.93 C ATOM 490 O LEU A 74 15.405 -3.011 10.633 1.00 13.92 O ATOM 491 CB LEU A 74 12.693 -1.556 9.811 1.00 12.43 C ATOM 492 CG LEU A 74 11.392 -1.392 9.016 1.00 11.49 C ATOM 493 CD1 LEU A 74 10.247 -1.103 9.969 1.00 12.47 C ATOM 494 CD2 LEU A 74 11.510 -0.324 7.974 1.00 12.22 C ATOM 495 H LEU A 74 13.409 -4.187 9.340 1.00 0.00 H ATOM 496 N GLU A 75 15.774 -0.918 9.870 1.00 11.66 N ATOM 497 CA GLU A 75 16.889 -0.640 10.782 1.00 13.30 C ATOM 498 C GLU A 75 16.776 0.783 11.265 1.00 13.58 C ATOM 499 O GLU A 75 16.395 1.709 10.542 1.00 12.49 O ATOM 500 CB GLU A 75 18.232 -0.930 10.150 1.00 15.68 C ATOM 501 CG GLU A 75 18.536 -0.126 8.960 1.00 15.69 C ATOM 502 CD GLU A 75 19.760 -0.587 8.161 1.00 25.92 C ATOM 503 OE1 GLU A 75 20.377 -1.607 8.557 1.00 26.97 O ATOM 504 OE2 GLU A 75 20.018 -0.010 7.078 1.00 26.42 O ATOM 505 H GLU A 75 15.489 -0.192 9.183 1.00 0.00 H ATOM 506 N ARG A 76 17.168 0.985 12.516 1.00 13.59 N ATOM 507 CA ARG A 76 17.163 2.304 13.147 1.00 14.12 C ATOM 508 C ARG A 76 18.395 3.118 12.717 1.00 15.13 C ATOM 509 O ARG A 76 19.494 2.542 12.594 1.00 16.79 O ATOM 510 CB ARG A 76 17.042 2.169 14.672 1.00 15.04 C ATOM 511 CG ARG A 76 16.847 3.479 15.392 1.00 14.82 C ATOM 512 CD ARG A 76 16.358 3.238 16.824 1.00 16.43 C ATOM 513 NE ARG A 76 17.288 2.408 17.578 1.00 16.42 N ATOM 514 CZ ARG A 76 18.274 2.884 18.353 1.00 14.73 C ATOM 515 NH1 ARG A 76 18.466 4.161 18.433 1.00 16.60 N ATOM 516 NH2 ARG A 76 19.043 2.042 19.024 1.00 16.04 N ATOM 517 HE ARG A 76 17.180 1.376 17.511 1.00 0.00 H ATOM 518 HH12 ARG A 76 19.229 4.536 19.032 1.00 0.00 H ATOM 519 HH11 ARG A 76 17.857 4.813 17.898 1.00 0.00 H ATOM 520 HH22 ARG A 76 19.809 2.405 19.627 1.00 0.00 H ATOM 521 HH21 ARG A 76 18.881 1.017 18.949 1.00 0.00 H ATOM 522 H ARG A 76 17.493 0.169 13.073 1.00 0.00 H ATOM 523 N ILE A 77 18.231 4.405 12.494 1.00 14.26 N ATOM 524 CA ILE A 77 19.302 5.339 12.118 1.00 16.29 C ATOM 525 C ILE A 77 19.270 6.527 13.083 1.00 18.80 C ATOM 526 O ILE A 77 18.327 6.731 13.805 1.00 22.56 O ATOM 527 CB ILE A 77 19.173 5.708 10.627 1.00 17.74 C ATOM 528 CG1 ILE A 77 17.848 6.400 10.323 1.00 17.81 C ATOM 529 CG2 ILE A 77 19.347 4.478 9.747 1.00 21.29 C ATOM 530 CD1 ILE A 77 17.757 6.975 8.928 1.00 18.25 C ATOM 531 H ILE A 77 17.270 4.791 12.591 1.00 0.00 H ATOM 532 N ASN A 78 20.303 7.374 13.049 1.00 27.18 N ATOM 533 CA ASN A 78 20.307 8.518 14.000 1.00 32.38 C ATOM 534 H ASN A 78 21.084 7.237 12.376 1.00 0.00 H TER 535 ASN A 78 ATOM 536 N ASP B 21 6.222 -11.155 -24.731 1.00 64.08 N ATOM 537 CA ASP B 21 6.653 -10.007 -23.868 1.00 57.20 C ATOM 538 C ASP B 21 5.995 -10.171 -22.492 1.00 48.73 C ATOM 539 O ASP B 21 6.541 -10.947 -21.677 1.00 48.68 O ATOM 540 CB ASP B 21 6.372 -8.647 -24.525 1.00 56.91 C ATOM 541 CG ASP B 21 5.066 -8.554 -25.301 1.00 63.43 C ATOM 542 OD1 ASP B 21 4.323 -9.562 -25.348 1.00 66.52 O ATOM 543 OD2 ASP B 21 4.792 -7.464 -25.846 1.00 68.09 O ATOM 544 HN3 ASP B 21 5.186 -11.146 -24.825 1.00 0.00 H ATOM 545 HN2 ASP B 21 6.524 -12.049 -24.293 1.00 0.00 H ATOM 546 HN1 ASP B 21 6.658 -11.063 -25.671 1.00 0.00 H ATOM 547 N ALA B 22 4.857 -9.511 -22.247 1.00 42.34 N ATOM 548 CA ALA B 22 4.192 -9.503 -20.915 1.00 31.40 C ATOM 549 C ALA B 22 3.689 -10.904 -20.550 1.00 25.85 C ATOM 550 O ALA B 22 2.986 -11.596 -21.335 1.00 29.17 O ATOM 551 CB ALA B 22 3.063 -8.509 -20.874 1.00 31.58 C ATOM 552 H ALA B 22 4.416 -8.978 -23.024 1.00 0.00 H ATOM 553 N THR B 23 3.888 -11.287 -19.299 1.00 20.81 N ATOM 554 CA THR B 23 3.465 -12.576 -18.747 1.00 19.47 C ATOM 555 C THR B 23 1.945 -12.619 -18.614 1.00 18.87 C ATOM 556 O THR B 23 1.330 -13.686 -18.801 1.00 21.36 O ATOM 557 CB THR B 23 4.144 -12.784 -17.395 1.00 22.24 C ATOM 558 OG1 THR B 23 5.558 -12.783 -17.648 1.00 25.23 O ATOM 559 CG2 THR B 23 3.710 -14.071 -16.755 1.00 21.39 C ATOM 560 HG1 THR B 23 6.045 -12.916 -16.796 1.00 0.00 H ATOM 561 H THR B 23 4.379 -10.626 -18.663 1.00 0.00 H ATOM 562 N PHE B 24 1.359 -11.532 -18.126 1.00 16.53 N ATOM 563 CA PHE B 24 -0.094 -11.465 -17.943 1.00 16.85 C ATOM 564 C PHE B 24 -0.668 -10.328 -18.756 1.00 17.46 C ATOM 565 O PHE B 24 0.049 -9.374 -19.134 1.00 19.77 O ATOM 566 CB PHE B 24 -0.472 -11.210 -16.467 1.00 15.62 C ATOM 567 CG PHE B 24 0.202 -12.138 -15.510 1.00 16.52 C ATOM 568 CD1 PHE B 24 -0.005 -13.503 -15.600 1.00 18.31 C ATOM 569 CD2 PHE B 24 0.951 -11.680 -14.429 1.00 17.33 C ATOM 570 CE1 PHE B 24 0.602 -14.393 -14.722 1.00 20.40 C ATOM 571 CE2 PHE B 24 1.536 -12.572 -13.555 1.00 19.06 C ATOM 572 CZ PHE B 24 1.392 -13.922 -13.702 1.00 19.71 C ATOM 573 H PHE B 24 1.943 -10.711 -17.868 1.00 0.00 H ATOM 574 N GLY B 25 -1.954 -10.433 -18.993 1.00 17.80 N ATOM 575 CA GLY B 25 -2.760 -9.428 -19.652 1.00 17.59 C ATOM 576 C GLY B 25 -3.858 -8.916 -18.763 1.00 14.46 C ATOM 577 O GLY B 25 -4.239 -9.583 -17.769 1.00 14.50 O ATOM 578 H GLY B 25 -2.430 -11.304 -18.684 1.00 0.00 H ATOM 579 N MET B 26 -4.426 -7.814 -19.167 1.00 15.62 N ATOM 580 CA MET B 26 -5.568 -7.219 -18.477 1.00 14.46 C ATOM 581 C MET B 26 -6.654 -8.269 -18.340 1.00 15.40 C ATOM 582 O MET B 26 -7.038 -8.965 -19.310 1.00 16.75 O ATOM 583 CB MET B 26 -6.152 -5.999 -19.187 1.00 16.10 C ATOM 584 CG MET B 26 -5.146 -4.859 -19.254 1.00 17.10 C ATOM 585 SD MET B 26 -4.847 -4.109 -17.625 1.00 20.13 S ATOM 586 CE MET B 26 -6.378 -3.220 -17.469 1.00 23.83 C ATOM 587 H MET B 26 -4.051 -7.340 -20.014 1.00 0.00 H ATOM 588 N GLY B 27 -7.228 -8.376 -17.178 1.00 13.43 N ATOM 589 CA GLY B 27 -8.309 -9.288 -16.885 1.00 14.13 C ATOM 590 C GLY B 27 -7.922 -10.696 -16.514 1.00 14.65 C ATOM 591 O GLY B 27 -8.796 -11.475 -16.082 1.00 16.09 O ATOM 592 H GLY B 27 -6.886 -7.765 -16.409 1.00 0.00 H ATOM 593 N ASP B 28 -6.648 -11.033 -16.561 1.00 12.32 N ATOM 594 CA ASP B 28 -6.216 -12.373 -16.122 1.00 12.37 C ATOM 595 C ASP B 28 -6.509 -12.495 -14.641 1.00 13.22 C ATOM 596 O ASP B 28 -6.291 -11.504 -13.882 1.00 13.58 O ATOM 597 CB ASP B 28 -4.738 -12.618 -16.361 1.00 12.88 C ATOM 598 CG ASP B 28 -4.309 -12.970 -17.752 1.00 14.97 C ATOM 599 OD1 ASP B 28 -5.200 -13.345 -18.526 1.00 19.40 O ATOM 600 OD2 ASP B 28 -3.116 -12.861 -18.009 1.00 15.76 O ATOM 601 H ASP B 28 -5.945 -10.351 -16.909 1.00 0.00 H ATOM 602 N ARG B 29 -6.895 -13.660 -14.181 1.00 12.66 N ATOM 603 CA ARG B 29 -7.118 -13.946 -12.756 1.00 11.69 C ATOM 604 C ARG B 29 -5.820 -14.461 -12.220 1.00 12.11 C ATOM 605 O ARG B 29 -5.282 -15.472 -12.759 1.00 12.67 O ATOM 606 CB ARG B 29 -8.246 -14.935 -12.537 1.00 12.70 C ATOM 607 CG ARG B 29 -8.707 -15.051 -11.097 1.00 14.30 C ATOM 608 CD ARG B 29 -9.784 -16.115 -10.996 1.00 16.95 C ATOM 609 NE ARG B 29 -10.335 -16.216 -9.650 1.00 18.25 N ATOM 610 CZ ARG B 29 -11.033 -17.243 -9.236 1.00 21.12 C ATOM 611 NH1 ARG B 29 -11.101 -18.348 -9.978 1.00 24.40 N ATOM 612 NH2 ARG B 29 -11.595 -17.195 -8.057 1.00 22.51 N ATOM 613 HE ARG B 29 -10.165 -15.434 -8.986 1.00 0.00 H ATOM 614 HH12 ARG B 29 -11.656 -19.163 -9.647 1.00 0.00 H ATOM 615 HH11 ARG B 29 -10.599 -18.395 -10.888 1.00 0.00 H ATOM 616 HH22 ARG B 29 -12.153 -18.003 -7.714 1.00 0.00 H ATOM 617 HH21 ARG B 29 -11.484 -16.349 -7.462 1.00 0.00 H ATOM 618 H ARG B 29 -7.053 -14.428 -14.864 1.00 0.00 H ATOM 619 N VAL B 30 -5.292 -13.840 -11.187 1.00 10.69 N ATOM 620 CA VAL B 30 -3.992 -14.203 -10.640 1.00 10.93 C ATOM 621 C VAL B 30 -4.087 -14.260 -9.117 1.00 9.73 C ATOM 622 O VAL B 30 -5.015 -13.687 -8.520 1.00 10.48 O ATOM 623 CB VAL B 30 -2.894 -13.235 -11.091 1.00 10.98 C ATOM 624 CG1 VAL B 30 -2.736 -13.239 -12.588 1.00 11.66 C ATOM 625 CG2 VAL B 30 -3.142 -11.831 -10.564 1.00 10.99 C ATOM 626 H VAL B 30 -5.822 -13.062 -10.745 1.00 0.00 H ATOM 627 N ARG B 31 -3.099 -14.887 -8.526 1.00 10.08 N ATOM 628 CA ARG B 31 -2.942 -14.861 -7.063 1.00 10.60 C ATOM 629 C ARG B 31 -1.479 -14.707 -6.710 1.00 10.89 C ATOM 630 O ARG B 31 -0.580 -15.123 -7.454 1.00 11.34 O ATOM 631 CB ARG B 31 -3.510 -16.117 -6.432 1.00 12.34 C ATOM 632 CG ARG B 31 -2.751 -17.388 -6.734 1.00 13.14 C ATOM 633 CD ARG B 31 -3.517 -18.568 -6.129 1.00 16.10 C ATOM 634 NE ARG B 31 -2.779 -19.730 -6.481 1.00 21.24 N ATOM 635 CZ ARG B 31 -3.261 -20.974 -6.444 1.00 24.60 C ATOM 636 NH1 ARG B 31 -2.444 -21.962 -6.774 1.00 26.49 N ATOM 637 NH2 ARG B 31 -4.498 -21.215 -6.047 1.00 27.05 N ATOM 638 HE ARG B 31 -1.794 -19.602 -6.789 1.00 0.00 H ATOM 639 HH12 ARG B 31 -2.783 -22.945 -6.757 1.00 0.00 H ATOM 640 HH11 ARG B 31 -1.463 -21.755 -7.050 1.00 0.00 H ATOM 641 HH22 ARG B 31 -4.856 -22.191 -6.025 1.00 0.00 H ATOM 642 HH21 ARG B 31 -5.114 -20.429 -5.757 1.00 0.00 H ATOM 643 H ARG B 31 -2.412 -15.413 -9.103 1.00 0.00 H ATOM 644 N LYS B 32 -1.230 -14.234 -5.491 1.00 10.21 N ATOM 645 CA LYS B 32 0.112 -14.335 -4.927 1.00 10.83 C ATOM 646 C LYS B 32 0.498 -15.789 -4.700 1.00 11.37 C ATOM 647 O LYS B 32 -0.290 -16.549 -4.160 1.00 12.83 O ATOM 648 CB LYS B 32 0.160 -13.581 -3.620 1.00 12.11 C ATOM 649 CG LYS B 32 0.182 -12.084 -3.717 1.00 13.22 C ATOM 650 CD LYS B 32 1.547 -11.542 -3.916 1.00 15.04 C ATOM 651 CE LYS B 32 2.316 -11.140 -2.673 1.00 13.01 C ATOM 652 NZ LYS B 32 2.619 -12.261 -1.742 1.00 12.78 N ATOM 653 HZ1 LYS B 32 1.729 -12.693 -1.420 1.00 0.00 H ATOM 654 HZ2 LYS B 32 3.193 -12.974 -2.235 1.00 0.00 H ATOM 655 HZ3 LYS B 32 3.145 -11.897 -0.922 1.00 0.00 H ATOM 656 H LYS B 32 -1.993 -13.792 -4.940 1.00 0.00 H ATOM 657 N LYS B 33 1.754 -16.089 -5.037 1.00 12.01 N ATOM 658 CA LYS B 33 2.298 -17.445 -4.904 1.00 12.86 C ATOM 659 C LYS B 33 2.486 -17.752 -3.456 1.00 13.89 C ATOM 660 O LYS B 33 2.405 -18.979 -3.138 1.00 16.59 O ATOM 661 CB LYS B 33 3.597 -17.571 -5.699 1.00 14.21 C ATOM 662 CG LYS B 33 3.482 -17.569 -7.194 1.00 16.98 C ATOM 663 CD LYS B 33 4.903 -17.687 -7.792 1.00 21.38 C ATOM 664 CE LYS B 33 4.966 -17.544 -9.280 1.00 24.71 C ATOM 665 NZ LYS B 33 6.387 -17.536 -9.694 1.00 26.23 N ATOM 666 HZ1 LYS B 33 6.875 -16.737 -9.240 1.00 0.00 H ATOM 667 HZ2 LYS B 33 6.836 -18.428 -9.404 1.00 0.00 H ATOM 668 HZ3 LYS B 33 6.445 -17.437 -10.728 1.00 0.00 H ATOM 669 H LYS B 33 2.368 -15.336 -5.407 1.00 0.00 H ATOM 670 N SER B 34 2.933 -16.820 -2.652 1.00 11.88 N ATOM 671 CA SER B 34 3.390 -17.162 -1.298 1.00 12.23 C ATOM 672 C SER B 34 3.261 -15.957 -0.417 1.00 12.93 C ATOM 673 O SER B 34 3.005 -14.834 -0.908 1.00 13.54 O ATOM 674 CB SER B 34 4.716 -17.750 -1.375 1.00 16.08 C ATOM 675 OG SER B 34 5.667 -16.778 -1.648 1.00 19.76 O ATOM 676 HG SER B 34 5.457 -16.346 -2.514 1.00 0.00 H ATOM 677 H SER B 34 2.965 -15.832 -2.974 1.00 0.00 H ATOM 678 N GLY B 35 3.452 -16.098 0.874 1.00 12.24 N ATOM 679 CA GLY B 35 3.429 -14.941 1.746 1.00 11.53 C ATOM 680 C GLY B 35 2.059 -14.368 1.859 1.00 11.12 C ATOM 681 O GLY B 35 1.059 -15.093 1.857 1.00 12.93 O ATOM 682 H GLY B 35 3.620 -17.044 1.272 1.00 0.00 H ATOM 683 N ALA B 36 1.957 -13.056 1.890 1.00 11.11 N ATOM 684 CA ALA B 36 0.661 -12.414 2.029 1.00 10.89 C ATOM 685 C ALA B 36 -0.210 -12.798 0.852 1.00 10.68 C ATOM 686 O ALA B 36 0.234 -12.782 -0.329 1.00 12.44 O ATOM 687 CB ALA B 36 0.858 -10.922 2.087 1.00 11.84 C ATOM 688 H ALA B 36 2.814 -12.472 1.814 1.00 0.00 H ATOM 689 N ALA B 37 -1.445 -13.108 1.100 1.00 9.83 N ATOM 690 CA ALA B 37 -2.329 -13.570 0.045 1.00 10.02 C ATOM 691 C ALA B 37 -2.950 -12.398 -0.687 1.00 9.96 C ATOM 692 O ALA B 37 -3.197 -11.307 -0.194 1.00 11.33 O ATOM 693 CB ALA B 37 -3.435 -14.417 0.594 1.00 10.94 C ATOM 694 H ALA B 37 -1.808 -13.024 2.071 1.00 0.00 H ATOM 695 N TRP B 38 -3.224 -12.604 -1.974 1.00 9.85 N ATOM 696 CA TRP B 38 -4.013 -11.670 -2.806 1.00 9.35 C ATOM 697 C TRP B 38 -4.512 -12.395 -4.016 1.00 9.78 C ATOM 698 O TRP B 38 -3.800 -13.258 -4.519 1.00 10.87 O ATOM 699 CB TRP B 38 -3.212 -10.485 -3.305 1.00 9.20 C ATOM 700 CG TRP B 38 -4.052 -9.351 -3.774 1.00 8.94 C ATOM 701 CD1 TRP B 38 -4.388 -8.984 -5.048 1.00 10.38 C ATOM 702 CD2 TRP B 38 -4.711 -8.429 -2.922 1.00 8.32 C ATOM 703 NE1 TRP B 38 -5.164 -7.848 -5.030 1.00 9.74 N ATOM 704 CE2 TRP B 38 -5.313 -7.459 -3.747 1.00 8.80 C ATOM 705 CE3 TRP B 38 -4.929 -8.365 -1.546 1.00 9.31 C ATOM 706 CZ2 TRP B 38 -6.043 -6.410 -3.240 1.00 9.84 C ATOM 707 CZ3 TRP B 38 -5.657 -7.317 -1.063 1.00 9.84 C ATOM 708 CH2 TRP B 38 -6.238 -6.394 -1.909 1.00 10.25 C ATOM 709 HE1 TRP B 38 -5.566 -7.371 -5.862 1.00 0.00 H ATOM 710 H TRP B 38 -2.862 -13.471 -2.419 1.00 0.00 H ATOM 711 N GLN B 39 -5.714 -12.121 -4.444 1.00 10.13 N ATOM 712 CA GLN B 39 -6.254 -12.838 -5.616 1.00 9.83 C ATOM 713 C GLN B 39 -7.260 -11.942 -6.299 1.00 10.75 C ATOM 714 O GLN B 39 -8.116 -11.333 -5.617 1.00 11.12 O ATOM 715 CB GLN B 39 -6.900 -14.118 -5.115 1.00 11.27 C ATOM 716 CG GLN B 39 -7.404 -15.027 -6.209 1.00 12.13 C ATOM 717 CD GLN B 39 -7.646 -16.409 -5.701 1.00 13.58 C ATOM 718 OE1 GLN B 39 -6.738 -17.095 -5.236 1.00 14.48 O ATOM 719 NE2 GLN B 39 -8.874 -16.842 -5.814 1.00 15.87 N ATOM 720 HE22 GLN B 39 -9.609 -16.224 -6.214 1.00 0.00 H ATOM 721 HE21 GLN B 39 -9.117 -17.805 -5.504 1.00 0.00 H ATOM 722 H GLN B 39 -6.289 -11.401 -3.962 1.00 0.00 H ATOM 723 N GLY B 40 -7.203 -11.883 -7.610 1.00 10.03 N ATOM 724 CA GLY B 40 -8.168 -11.133 -8.384 1.00 9.97 C ATOM 725 C GLY B 40 -7.659 -10.890 -9.774 1.00 11.05 C ATOM 726 O GLY B 40 -6.901 -11.703 -10.300 1.00 12.29 O ATOM 727 H GLY B 40 -6.442 -12.390 -8.106 1.00 0.00 H ATOM 728 N GLN B 41 -8.066 -9.810 -10.374 1.00 10.71 N ATOM 729 CA GLN B 41 -7.841 -9.581 -11.805 1.00 10.91 C ATOM 730 C GLN B 41 -6.724 -8.583 -11.997 1.00 10.52 C ATOM 731 O GLN B 41 -6.613 -7.553 -11.299 1.00 10.27 O ATOM 732 CB GLN B 41 -9.092 -9.088 -12.505 1.00 14.75 C ATOM 733 CG GLN B 41 -10.049 -10.266 -12.701 1.00 19.61 C ATOM 734 CD GLN B 41 -11.206 -9.844 -13.568 1.00 28.28 C ATOM 735 OE1 GLN B 41 -11.071 -9.632 -14.774 1.00 35.69 O ATOM 736 NE2 GLN B 41 -12.313 -9.605 -12.907 1.00 28.19 N ATOM 737 HE22 GLN B 41 -12.364 -9.806 -11.888 1.00 0.00 H ATOM 738 HE21 GLN B 41 -13.140 -9.215 -13.402 1.00 0.00 H ATOM 739 H GLN B 41 -8.567 -9.086 -9.821 1.00 0.00 H ATOM 740 N ILE B 42 -5.951 -8.817 -13.035 1.00 10.15 N ATOM 741 CA ILE B 42 -4.954 -7.837 -13.495 1.00 9.76 C ATOM 742 C ILE B 42 -5.691 -6.608 -14.014 1.00 10.44 C ATOM 743 O ILE B 42 -6.569 -6.745 -14.904 1.00 10.79 O ATOM 744 CB ILE B 42 -4.075 -8.411 -14.615 1.00 10.78 C ATOM 745 CG1 ILE B 42 -3.285 -9.629 -14.154 1.00 11.91 C ATOM 746 CG2 ILE B 42 -3.189 -7.359 -15.254 1.00 11.84 C ATOM 747 CD1 ILE B 42 -2.158 -9.316 -13.269 1.00 12.61 C ATOM 748 H ILE B 42 -6.047 -9.719 -13.544 1.00 0.00 H ATOM 749 N VAL B 43 -5.391 -5.424 -13.464 1.00 9.52 N ATOM 750 CA VAL B 43 -5.997 -4.141 -13.847 1.00 9.55 C ATOM 751 C VAL B 43 -4.942 -3.115 -14.214 1.00 9.90 C ATOM 752 O VAL B 43 -5.278 -1.971 -14.507 1.00 10.89 O ATOM 753 CB VAL B 43 -6.900 -3.606 -12.726 1.00 10.05 C ATOM 754 CG1 VAL B 43 -8.097 -4.533 -12.535 1.00 10.40 C ATOM 755 CG2 VAL B 43 -6.140 -3.392 -11.456 1.00 9.41 C ATOM 756 H VAL B 43 -4.676 -5.412 -12.709 1.00 0.00 H ATOM 757 N GLY B 44 -3.662 -3.472 -14.251 1.00 9.88 N ATOM 758 CA GLY B 44 -2.631 -2.535 -14.707 1.00 10.88 C ATOM 759 C GLY B 44 -1.266 -3.125 -14.540 1.00 10.17 C ATOM 760 O GLY B 44 -1.101 -4.310 -14.311 1.00 10.07 O ATOM 761 H GLY B 44 -3.388 -4.430 -13.952 1.00 0.00 H ATOM 762 N TRP B 45 -0.288 -2.261 -14.736 1.00 11.20 N ATOM 763 CA TRP B 45 1.108 -2.663 -14.891 1.00 11.88 C ATOM 764 C TRP B 45 2.016 -1.551 -14.476 1.00 11.65 C ATOM 765 O TRP B 45 1.616 -0.374 -14.458 1.00 12.35 O ATOM 766 CB TRP B 45 1.359 -3.136 -16.293 1.00 15.03 C ATOM 767 CG TRP B 45 2.727 -3.061 -16.956 1.00 19.14 C ATOM 768 CD1 TRP B 45 3.540 -4.166 -17.061 1.00 22.10 C ATOM 769 CD2 TRP B 45 3.501 -1.966 -17.459 1.00 20.50 C ATOM 770 NE1 TRP B 45 4.770 -3.825 -17.551 1.00 23.79 N ATOM 771 CE2 TRP B 45 4.780 -2.486 -17.790 1.00 20.88 C ATOM 772 CE3 TRP B 45 3.263 -0.613 -17.620 1.00 22.31 C ATOM 773 CZ2 TRP B 45 5.750 -1.723 -18.420 1.00 20.95 C ATOM 774 CZ3 TRP B 45 4.277 0.172 -18.135 1.00 23.48 C ATOM 775 CH2 TRP B 45 5.488 -0.383 -18.542 1.00 23.72 C ATOM 776 HE1 TRP B 45 5.563 -4.478 -17.713 1.00 0.00 H ATOM 777 H TRP B 45 -0.521 -1.249 -14.782 1.00 0.00 H ATOM 778 N TYR B 46 3.216 -1.896 -14.053 1.00 11.13 N ATOM 779 CA TYR B 46 4.230 -0.892 -13.742 1.00 10.54 C ATOM 780 C TYR B 46 5.603 -1.489 -13.981 1.00 11.05 C ATOM 781 O TYR B 46 5.772 -2.693 -14.046 1.00 11.36 O ATOM 782 CB TYR B 46 4.066 -0.344 -12.331 1.00 10.72 C ATOM 783 CG TYR B 46 4.406 -1.274 -11.208 1.00 10.89 C ATOM 784 CD1 TYR B 46 3.580 -2.343 -10.862 1.00 11.01 C ATOM 785 CD2 TYR B 46 5.581 -1.164 -10.454 1.00 11.59 C ATOM 786 CE1 TYR B 46 3.917 -3.229 -9.894 1.00 11.63 C ATOM 787 CE2 TYR B 46 5.891 -2.011 -9.423 1.00 12.48 C ATOM 788 CZ TYR B 46 5.049 -3.075 -9.143 1.00 11.70 C ATOM 789 OH TYR B 46 5.329 -3.934 -8.112 1.00 13.81 O ATOM 790 HH TYR B 46 6.206 -4.365 -8.272 1.00 0.00 H ATOM 791 H TYR B 46 3.445 -2.904 -13.938 1.00 0.00 H ATOM 792 N CYS B 47 6.587 -0.579 -14.043 1.00 11.70 N ATOM 793 CA CYS B 47 7.958 -0.934 -14.429 1.00 11.88 C ATOM 794 C CYS B 47 8.890 0.015 -13.717 1.00 11.24 C ATOM 795 O CYS B 47 8.870 1.224 -13.970 1.00 12.68 O ATOM 796 CB CYS B 47 8.071 -0.837 -15.949 1.00 12.93 C ATOM 797 SG CYS B 47 9.767 -0.980 -16.548 1.00 15.54 S ATOM 798 H CYS B 47 6.371 0.411 -13.810 1.00 0.00 H ATOM 799 N THR B 48 9.712 -0.552 -12.852 1.00 10.33 N ATOM 800 CA THR B 48 10.787 0.146 -12.149 1.00 10.72 C ATOM 801 C THR B 48 12.070 -0.641 -12.278 1.00 10.11 C ATOM 802 O THR B 48 12.052 -1.777 -12.684 1.00 11.39 O ATOM 803 CB THR B 48 10.511 0.399 -10.680 1.00 10.95 C ATOM 804 OG1 THR B 48 10.530 -0.858 -10.042 1.00 11.19 O ATOM 805 CG2 THR B 48 9.202 1.123 -10.449 1.00 12.39 C ATOM 806 HG1 THR B 48 10.353 -0.739 -9.075 1.00 0.00 H ATOM 807 H THR B 48 9.585 -1.566 -12.658 1.00 0.00 H ATOM 808 N ASN B 49 13.181 -0.034 -11.907 1.00 10.50 N ATOM 809 CA ASN B 49 14.425 -0.806 -11.931 1.00 11.41 C ATOM 810 C ASN B 49 14.361 -1.998 -10.986 1.00 10.99 C ATOM 811 O ASN B 49 14.886 -3.066 -11.300 1.00 11.17 O ATOM 812 CB ASN B 49 15.645 0.045 -11.599 1.00 12.03 C ATOM 813 CG ASN B 49 16.148 0.852 -12.771 1.00 14.72 C ATOM 814 OD1 ASN B 49 17.249 0.608 -13.292 1.00 16.68 O ATOM 815 ND2 ASN B 49 15.349 1.725 -13.284 1.00 17.24 N ATOM 816 HD22 ASN B 49 14.431 1.917 -12.835 1.00 0.00 H ATOM 817 HD21 ASN B 49 15.623 2.237 -14.147 1.00 0.00 H ATOM 818 H ASN B 49 13.174 0.962 -11.607 1.00 0.00 H ATOM 819 N LEU B 50 13.743 -1.856 -9.820 1.00 11.50 N ATOM 820 CA LEU B 50 13.634 -2.953 -8.868 1.00 12.09 C ATOM 821 C LEU B 50 12.637 -3.981 -9.356 1.00 11.58 C ATOM 822 O LEU B 50 12.829 -5.163 -9.111 1.00 13.17 O ATOM 823 CB LEU B 50 13.160 -2.400 -7.532 1.00 16.63 C ATOM 824 CG LEU B 50 12.888 -3.378 -6.424 1.00 20.29 C ATOM 825 CD1 LEU B 50 14.225 -3.967 -6.007 1.00 20.81 C ATOM 826 CD2 LEU B 50 12.241 -2.645 -5.257 1.00 21.64 C ATOM 827 H LEU B 50 13.325 -0.935 -9.579 1.00 0.00 H ATOM 828 N THR B 51 11.575 -3.552 -10.043 1.00 11.48 N ATOM 829 CA THR B 51 10.499 -4.424 -10.528 1.00 11.24 C ATOM 830 C THR B 51 10.259 -4.097 -11.980 1.00 11.41 C ATOM 831 O THR B 51 9.341 -3.333 -12.293 1.00 11.43 O ATOM 832 CB THR B 51 9.246 -4.226 -9.687 1.00 12.61 C ATOM 833 OG1 THR B 51 9.577 -4.469 -8.308 1.00 14.93 O ATOM 834 CG2 THR B 51 8.125 -5.115 -10.156 1.00 13.00 C ATOM 835 HG1 THR B 51 8.770 -4.343 -7.749 1.00 0.00 H ATOM 836 H THR B 51 11.506 -2.535 -10.247 1.00 0.00 H ATOM 837 N PRO B 52 11.053 -4.622 -12.894 1.00 12.03 N ATOM 838 CA PRO B 52 10.893 -4.257 -14.293 1.00 11.92 C ATOM 839 C PRO B 52 9.628 -4.772 -14.946 1.00 12.98 C ATOM 840 O PRO B 52 9.219 -4.265 -16.001 1.00 14.40 O ATOM 841 CB PRO B 52 12.152 -4.814 -14.962 1.00 13.79 C ATOM 842 CG PRO B 52 12.572 -5.869 -14.060 1.00 14.41 C ATOM 843 CD PRO B 52 12.257 -5.427 -12.649 1.00 13.28 C ATOM 844 N GLU B 53 8.963 -5.741 -14.331 1.00 11.93 N ATOM 845 CA GLU B 53 7.654 -6.226 -14.801 1.00 11.35 C ATOM 846 C GLU B 53 6.781 -6.425 -13.578 1.00 11.59 C ATOM 847 O GLU B 53 6.951 -7.396 -12.842 1.00 13.05 O ATOM 848 CB GLU B 53 7.782 -7.529 -15.592 1.00 13.53 C ATOM 849 CG GLU B 53 6.482 -8.016 -16.174 1.00 14.07 C ATOM 850 CD GLU B 53 6.556 -9.291 -16.954 1.00 17.58 C ATOM 851 OE1 GLU B 53 7.693 -9.803 -17.228 1.00 19.31 O ATOM 852 OE2 GLU B 53 5.508 -9.814 -17.304 1.00 16.18 O ATOM 853 H GLU B 53 9.382 -6.175 -13.484 1.00 0.00 H ATOM 854 N GLY B 54 5.914 -5.460 -13.348 1.00 11.31 N ATOM 855 CA GLY B 54 4.998 -5.483 -12.184 1.00 11.07 C ATOM 856 C GLY B 54 3.568 -5.369 -12.666 1.00 9.93 C ATOM 857 O GLY B 54 3.293 -4.806 -13.728 1.00 10.48 O ATOM 858 H GLY B 54 5.871 -4.655 -14.005 1.00 0.00 H ATOM 859 N TYR B 55 2.681 -5.833 -11.814 1.00 9.36 N ATOM 860 CA TYR B 55 1.246 -5.823 -12.134 1.00 9.85 C ATOM 861 C TYR B 55 0.447 -5.234 -10.991 1.00 9.81 C ATOM 862 O TYR B 55 0.744 -5.437 -9.835 1.00 10.00 O ATOM 863 CB TYR B 55 0.720 -7.208 -12.495 1.00 10.46 C ATOM 864 CG TYR B 55 1.349 -7.713 -13.772 1.00 11.11 C ATOM 865 CD1 TYR B 55 0.791 -7.374 -14.971 1.00 12.28 C ATOM 866 CD2 TYR B 55 2.509 -8.449 -13.762 1.00 12.34 C ATOM 867 CE1 TYR B 55 1.378 -7.773 -16.165 1.00 13.13 C ATOM 868 CE2 TYR B 55 3.098 -8.880 -14.955 1.00 11.85 C ATOM 869 CZ TYR B 55 2.509 -8.552 -16.125 1.00 14.19 C ATOM 870 OH TYR B 55 3.081 -8.940 -17.334 1.00 16.29 O ATOM 871 HH TYR B 55 3.988 -8.551 -17.408 1.00 0.00 H ATOM 872 H TYR B 55 2.999 -6.213 -10.900 1.00 0.00 H ATOM 873 N ALA B 56 -0.621 -4.541 -11.352 1.00 9.68 N ATOM 874 CA ALA B 56 -1.671 -4.128 -10.421 1.00 9.45 C ATOM 875 C ALA B 56 -2.775 -5.175 -10.457 1.00 9.63 C ATOM 876 O ALA B 56 -3.221 -5.531 -11.552 1.00 10.18 O ATOM 877 CB ALA B 56 -2.218 -2.779 -10.789 1.00 10.00 C ATOM 878 H ALA B 56 -0.719 -4.275 -12.353 1.00 0.00 H ATOM 879 N VAL B 57 -3.229 -5.607 -9.302 1.00 8.92 N ATOM 880 CA VAL B 57 -4.254 -6.657 -9.176 1.00 8.54 C ATOM 881 C VAL B 57 -5.355 -6.120 -8.288 1.00 9.01 C ATOM 882 O VAL B 57 -5.122 -5.778 -7.107 1.00 9.41 O ATOM 883 CB VAL B 57 -3.654 -7.911 -8.571 1.00 9.79 C ATOM 884 CG1 VAL B 57 -4.671 -9.051 -8.543 1.00 9.92 C ATOM 885 CG2 VAL B 57 -2.371 -8.383 -9.274 1.00 10.32 C ATOM 886 H VAL B 57 -2.845 -5.186 -8.432 1.00 0.00 H ATOM 887 N GLU B 58 -6.568 -6.119 -8.819 1.00 8.90 N ATOM 888 CA GLU B 58 -7.743 -5.730 -8.024 1.00 9.62 C ATOM 889 C GLU B 58 -8.279 -6.952 -7.312 1.00 9.41 C ATOM 890 O GLU B 58 -8.528 -7.980 -7.964 1.00 10.63 O ATOM 891 CB GLU B 58 -8.805 -5.126 -8.916 1.00 10.18 C ATOM 892 CG GLU B 58 -10.013 -4.629 -8.125 1.00 10.49 C ATOM 893 CD GLU B 58 -11.081 -3.981 -8.948 1.00 11.81 C ATOM 894 OE1 GLU B 58 -11.052 -4.075 -10.191 1.00 13.18 O ATOM 895 OE2 GLU B 58 -12.046 -3.415 -8.369 1.00 13.80 O ATOM 896 H GLU B 58 -6.692 -6.397 -9.813 1.00 0.00 H ATOM 897 N SER B 59 -8.456 -6.888 -6.025 1.00 9.27 N ATOM 898 CA SER B 59 -8.996 -8.035 -5.262 1.00 9.45 C ATOM 899 C SER B 59 -10.384 -8.424 -5.788 1.00 10.29 C ATOM 900 O SER B 59 -11.245 -7.549 -5.980 1.00 11.69 O ATOM 901 CB SER B 59 -9.096 -7.668 -3.827 1.00 10.24 C ATOM 902 OG SER B 59 -9.794 -8.678 -3.101 1.00 10.88 O ATOM 903 HG SER B 59 -9.307 -9.536 -3.181 1.00 0.00 H ATOM 904 H SER B 59 -8.213 -6.011 -5.521 1.00 0.00 H ATOM 905 N GLU B 60 -10.613 -9.700 -5.923 1.00 10.97 N ATOM 906 CA GLU B 60 -11.963 -10.218 -6.239 1.00 11.52 C ATOM 907 C GLU B 60 -12.791 -10.300 -4.998 1.00 12.60 C ATOM 908 O GLU B 60 -14.031 -10.431 -5.165 1.00 15.88 O ATOM 909 CB GLU B 60 -11.841 -11.554 -6.944 1.00 12.98 C ATOM 910 CG GLU B 60 -11.313 -12.698 -6.148 1.00 13.74 C ATOM 911 CD GLU B 60 -10.930 -13.937 -6.932 1.00 15.78 C ATOM 912 OE1 GLU B 60 -10.634 -13.826 -8.148 1.00 17.76 O ATOM 913 OE2 GLU B 60 -10.979 -15.006 -6.289 1.00 17.66 O ATOM 914 H GLU B 60 -9.827 -10.371 -5.806 1.00 0.00 H ATOM 915 N ALA B 61 -12.226 -10.233 -3.823 1.00 10.98 N ATOM 916 CA ALA B 61 -12.966 -10.234 -2.550 1.00 11.95 C ATOM 917 C ALA B 61 -13.311 -8.837 -2.084 1.00 12.41 C ATOM 918 O ALA B 61 -14.362 -8.633 -1.442 1.00 12.70 O ATOM 919 CB ALA B 61 -12.183 -10.895 -1.484 1.00 11.32 C ATOM 920 H ALA B 61 -11.188 -10.175 -3.784 1.00 0.00 H ATOM 921 N HIS B 62 -12.493 -7.865 -2.443 1.00 10.79 N ATOM 922 CA HIS B 62 -12.559 -6.481 -1.941 1.00 10.42 C ATOM 923 C HIS B 62 -12.557 -5.559 -3.151 1.00 10.71 C ATOM 924 O HIS B 62 -11.530 -4.960 -3.484 1.00 10.67 O ATOM 925 CB HIS B 62 -11.392 -6.163 -1.006 1.00 10.59 C ATOM 926 CG HIS B 62 -11.225 -7.037 0.173 1.00 10.42 C ATOM 927 ND1 HIS B 62 -12.231 -7.365 1.029 1.00 12.48 N ATOM 928 CD2 HIS B 62 -10.131 -7.679 0.640 1.00 12.29 C ATOM 929 CE1 HIS B 62 -11.716 -8.132 2.019 1.00 11.53 C ATOM 930 NE2 HIS B 62 -10.453 -8.339 1.800 1.00 12.60 N ATOM 931 H HIS B 62 -11.747 -8.093 -3.131 1.00 0.00 H ATOM 932 N PRO B 63 -13.693 -5.424 -3.857 1.00 11.02 N ATOM 933 CA PRO B 63 -13.741 -4.595 -5.040 1.00 10.95 C ATOM 934 C PRO B 63 -13.196 -3.204 -4.775 1.00 10.25 C ATOM 935 O PRO B 63 -13.469 -2.538 -3.768 1.00 10.80 O ATOM 936 CB PRO B 63 -15.225 -4.514 -5.390 1.00 13.88 C ATOM 937 CG PRO B 63 -15.789 -5.725 -4.797 1.00 15.39 C ATOM 938 CD PRO B 63 -14.975 -6.059 -3.567 1.00 12.82 C ATOM 939 N GLY B 64 -12.385 -2.702 -5.720 1.00 9.97 N ATOM 940 CA GLY B 64 -11.816 -1.372 -5.678 1.00 10.38 C ATOM 941 C GLY B 64 -10.456 -1.347 -5.041 1.00 9.87 C ATOM 942 O GLY B 64 -9.740 -0.361 -5.225 1.00 11.61 O ATOM 943 H GLY B 64 -12.151 -3.307 -6.533 1.00 0.00 H ATOM 944 N SER B 65 -10.120 -2.358 -4.251 1.00 9.92 N ATOM 945 CA SER B 65 -8.786 -2.385 -3.618 1.00 9.01 C ATOM 946 C SER B 65 -7.817 -3.047 -4.538 1.00 9.68 C ATOM 947 O SER B 65 -8.068 -4.145 -5.031 1.00 10.03 O ATOM 948 CB SER B 65 -8.822 -3.089 -2.290 1.00 10.20 C ATOM 949 OG SER B 65 -9.431 -2.163 -1.331 1.00 12.64 O ATOM 950 HG SER B 65 -8.884 -1.339 -1.276 1.00 0.00 H ATOM 951 H SER B 65 -10.795 -3.130 -4.078 1.00 0.00 H ATOM 952 N VAL B 66 -6.711 -2.381 -4.734 1.00 9.62 N ATOM 953 CA VAL B 66 -5.667 -2.776 -5.692 1.00 10.11 C ATOM 954 C VAL B 66 -4.346 -2.869 -5.005 1.00 10.65 C ATOM 955 O VAL B 66 -4.025 -1.960 -4.210 1.00 11.55 O ATOM 956 CB VAL B 66 -5.584 -1.811 -6.883 1.00 9.69 C ATOM 957 CG1 VAL B 66 -4.505 -2.182 -7.868 1.00 10.61 C ATOM 958 CG2 VAL B 66 -6.916 -1.709 -7.574 1.00 11.20 C ATOM 959 H VAL B 66 -6.559 -1.516 -4.177 1.00 0.00 H ATOM 960 N GLN B 67 -3.593 -3.917 -5.258 1.00 9.62 N ATOM 961 CA GLN B 67 -2.207 -4.018 -4.784 1.00 11.06 C ATOM 962 C GLN B 67 -1.343 -4.280 -5.984 1.00 10.25 C ATOM 963 O GLN B 67 -1.782 -4.811 -6.999 1.00 11.11 O ATOM 964 CB GLN B 67 -2.069 -5.080 -3.709 1.00 12.80 C ATOM 965 CG GLN B 67 -2.656 -4.718 -2.362 1.00 22.25 C ATOM 966 CD GLN B 67 -1.744 -4.563 -1.169 1.00 34.97 C ATOM 967 OE1 GLN B 67 -0.765 -3.812 -1.200 1.00 49.45 O ATOM 968 NE2 GLN B 67 -2.138 -5.186 -0.062 1.00 47.06 N ATOM 969 HE22 GLN B 67 -2.970 -5.810 -0.084 1.00 0.00 H ATOM 970 HE21 GLN B 67 -1.614 -5.049 0.826 1.00 0.00 H ATOM 971 H GLN B 67 -3.993 -4.701 -5.813 1.00 0.00 H ATOM 972 N ILE B 68 -0.086 -3.912 -5.883 1.00 10.21 N ATOM 973 CA ILE B 68 0.923 -4.041 -6.960 1.00 10.25 C ATOM 974 C ILE B 68 2.018 -5.005 -6.507 1.00 9.47 C ATOM 975 O ILE B 68 2.511 -4.935 -5.340 1.00 11.12 O ATOM 976 CB ILE B 68 1.456 -2.687 -7.384 1.00 11.62 C ATOM 977 CG1 ILE B 68 2.059 -1.902 -6.236 1.00 14.10 C ATOM 978 CG2 ILE B 68 0.427 -1.918 -8.137 1.00 14.14 C ATOM 979 CD1 ILE B 68 2.789 -0.643 -6.691 1.00 16.62 C ATOM 980 H ILE B 68 0.224 -3.499 -4.980 1.00 0.00 H ATOM 981 N TYR B 69 2.416 -5.843 -7.430 1.00 9.35 N ATOM 982 CA TYR B 69 3.411 -6.884 -7.156 1.00 10.01 C ATOM 983 C TYR B 69 4.300 -7.143 -8.361 1.00 10.23 C ATOM 984 O TYR B 69 3.842 -7.059 -9.497 1.00 10.17 O ATOM 985 CB TYR B 69 2.783 -8.221 -6.773 1.00 10.66 C ATOM 986 CG TYR B 69 1.832 -8.153 -5.594 1.00 11.19 C ATOM 987 CD1 TYR B 69 2.251 -8.015 -4.309 1.00 12.47 C ATOM 988 CD2 TYR B 69 0.486 -8.149 -5.849 1.00 11.66 C ATOM 989 CE1 TYR B 69 1.333 -7.949 -3.266 1.00 13.31 C ATOM 990 CE2 TYR B 69 -0.446 -8.100 -4.838 1.00 13.29 C ATOM 991 CZ TYR B 69 -0.012 -7.997 -3.542 1.00 12.52 C ATOM 992 OH TYR B 69 -0.991 -7.985 -2.524 1.00 15.68 O ATOM 993 HH TYR B 69 -0.548 -7.907 -1.642 1.00 0.00 H ATOM 994 H TYR B 69 2.014 -5.768 -8.386 1.00 0.00 H ATOM 995 N PRO B 70 5.535 -7.612 -8.118 1.00 10.56 N ATOM 996 CA PRO B 70 6.364 -8.109 -9.215 1.00 10.86 C ATOM 997 C PRO B 70 5.768 -9.355 -9.824 1.00 11.22 C ATOM 998 O PRO B 70 5.136 -10.148 -9.147 1.00 11.08 O ATOM 999 CB PRO B 70 7.694 -8.444 -8.542 1.00 11.49 C ATOM 1000 CG PRO B 70 7.674 -7.693 -7.265 1.00 12.14 C ATOM 1001 CD PRO B 70 6.217 -7.669 -6.823 1.00 10.87 C ATOM 1002 N VAL B 71 6.026 -9.561 -11.081 1.00 10.76 N ATOM 1003 CA VAL B 71 5.533 -10.747 -11.801 1.00 12.45 C ATOM 1004 C VAL B 71 5.962 -12.018 -11.075 1.00 12.12 C ATOM 1005 O VAL B 71 5.125 -12.957 -11.032 1.00 14.24 O ATOM 1006 CB VAL B 71 5.977 -10.718 -13.276 1.00 13.58 C ATOM 1007 CG1 VAL B 71 7.500 -10.837 -13.435 1.00 14.48 C ATOM 1008 CG2 VAL B 71 5.259 -11.799 -14.069 1.00 15.68 C ATOM 1009 H VAL B 71 6.601 -8.864 -11.596 1.00 0.00 H ATOM 1010 N ALA B 72 7.167 -12.088 -10.541 1.00 12.69 N ATOM 1011 CA ALA B 72 7.632 -13.339 -9.904 1.00 13.48 C ATOM 1012 C ALA B 72 6.763 -13.717 -8.721 1.00 13.76 C ATOM 1013 O ALA B 72 6.826 -14.880 -8.265 1.00 14.96 O ATOM 1014 CB ALA B 72 9.071 -13.152 -9.479 1.00 16.10 C ATOM 1015 H ALA B 72 7.793 -11.258 -10.568 1.00 0.00 H ATOM 1016 N ALA B 73 6.045 -12.781 -8.136 1.00 12.24 N ATOM 1017 CA ALA B 73 5.226 -12.995 -6.956 1.00 12.01 C ATOM 1018 C ALA B 73 3.856 -13.580 -7.345 1.00 11.76 C ATOM 1019 O ALA B 73 3.146 -13.912 -6.387 1.00 11.78 O ATOM 1020 CB ALA B 73 5.071 -11.734 -6.162 1.00 11.82 C ATOM 1021 H ALA B 73 6.066 -11.825 -8.546 1.00 0.00 H ATOM 1022 N LEU B 74 3.476 -13.604 -8.607 1.00 11.56 N ATOM 1023 CA LEU B 74 2.095 -13.893 -9.032 1.00 11.61 C ATOM 1024 C LEU B 74 2.061 -15.126 -9.899 1.00 12.93 C ATOM 1025 O LEU B 74 3.011 -15.405 -10.633 1.00 13.92 O ATOM 1026 CB LEU B 74 1.556 -12.693 -9.811 1.00 12.43 C ATOM 1027 CG LEU B 74 1.392 -11.392 -9.016 1.00 11.49 C ATOM 1028 CD1 LEU B 74 1.103 -10.247 -9.969 1.00 12.47 C ATOM 1029 CD2 LEU B 74 0.324 -11.510 -7.974 1.00 12.22 C ATOM 1030 H LEU B 74 4.187 -13.409 -9.340 1.00 0.00 H ATOM 1031 N GLU B 75 0.918 -15.774 -9.870 1.00 11.66 N ATOM 1032 CA GLU B 75 0.640 -16.889 -10.782 1.00 13.30 C ATOM 1033 C GLU B 75 -0.783 -16.776 -11.265 1.00 13.58 C ATOM 1034 O GLU B 75 -1.709 -16.395 -10.542 1.00 12.49 O ATOM 1035 CB GLU B 75 0.930 -18.232 -10.150 1.00 15.68 C ATOM 1036 CG GLU B 75 0.126 -18.536 -8.960 1.00 15.69 C ATOM 1037 CD GLU B 75 0.587 -19.760 -8.161 1.00 25.92 C ATOM 1038 OE1 GLU B 75 1.607 -20.377 -8.557 1.00 26.97 O ATOM 1039 OE2 GLU B 75 0.010 -20.018 -7.078 1.00 26.42 O ATOM 1040 H GLU B 75 0.192 -15.489 -9.183 1.00 0.00 H ATOM 1041 N ARG B 76 -0.985 -17.168 -12.516 1.00 13.59 N ATOM 1042 CA ARG B 76 -2.304 -17.163 -13.147 1.00 14.12 C ATOM 1043 C ARG B 76 -3.118 -18.395 -12.717 1.00 15.13 C ATOM 1044 O ARG B 76 -2.542 -19.494 -12.594 1.00 16.79 O ATOM 1045 CB ARG B 76 -2.169 -17.042 -14.672 1.00 15.04 C ATOM 1046 CG ARG B 76 -3.479 -16.847 -15.392 1.00 14.82 C ATOM 1047 CD ARG B 76 -3.238 -16.358 -16.824 1.00 16.43 C ATOM 1048 NE ARG B 76 -2.408 -17.288 -17.578 1.00 16.42 N ATOM 1049 CZ ARG B 76 -2.884 -18.274 -18.353 1.00 14.73 C ATOM 1050 NH1 ARG B 76 -4.161 -18.466 -18.433 1.00 16.60 N ATOM 1051 NH2 ARG B 76 -2.042 -19.043 -19.024 1.00 16.04 N ATOM 1052 HE ARG B 76 -1.376 -17.180 -17.511 1.00 0.00 H ATOM 1053 HH12 ARG B 76 -4.536 -19.229 -19.032 1.00 0.00 H ATOM 1054 HH11 ARG B 76 -4.813 -17.857 -17.898 1.00 0.00 H ATOM 1055 HH22 ARG B 76 -2.405 -19.809 -19.627 1.00 0.00 H ATOM 1056 HH21 ARG B 76 -1.017 -18.881 -18.949 1.00 0.00 H ATOM 1057 H ARG B 76 -0.169 -17.493 -13.073 1.00 0.00 H ATOM 1058 N ILE B 77 -4.405 -18.231 -12.494 1.00 14.26 N ATOM 1059 CA ILE B 77 -5.339 -19.302 -12.118 1.00 16.29 C ATOM 1060 C ILE B 77 -6.527 -19.270 -13.083 1.00 18.80 C ATOM 1061 O ILE B 77 -6.731 -18.327 -13.805 1.00 22.56 O ATOM 1062 CB ILE B 77 -5.708 -19.173 -10.627 1.00 17.74 C ATOM 1063 CG1 ILE B 77 -6.400 -17.848 -10.323 1.00 17.81 C ATOM 1064 CG2 ILE B 77 -4.478 -19.347 -9.747 1.00 21.29 C ATOM 1065 CD1 ILE B 77 -6.975 -17.757 -8.928 1.00 18.25 C ATOM 1066 H ILE B 77 -4.791 -17.270 -12.591 1.00 0.00 H ATOM 1067 N ASN B 78 -7.374 -20.303 -13.049 1.00 27.18 N ATOM 1068 CA ASN B 78 -8.518 -20.307 -14.000 1.00 32.38 C ATOM 1069 H ASN B 78 -7.237 -21.084 -12.376 1.00 0.00 H TER 1070 ASN B 78 ATOM 1071 N ASP C 21 -11.155 6.222 24.731 1.00 64.08 N ATOM 1072 CA ASP C 21 -10.007 6.653 23.868 1.00 57.20 C ATOM 1073 C ASP C 21 -10.171 5.995 22.492 1.00 48.73 C ATOM 1074 O ASP C 21 -10.947 6.541 21.677 1.00 48.68 O ATOM 1075 CB ASP C 21 -8.647 6.372 24.525 1.00 56.91 C ATOM 1076 CG ASP C 21 -8.554 5.066 25.301 1.00 63.43 C ATOM 1077 OD1 ASP C 21 -9.562 4.323 25.348 1.00 66.52 O ATOM 1078 OD2 ASP C 21 -7.464 4.792 25.846 1.00 68.09 O ATOM 1079 HN3 ASP C 21 -11.146 5.186 24.825 1.00 0.00 H ATOM 1080 HN2 ASP C 21 -12.049 6.524 24.293 1.00 0.00 H ATOM 1081 HN1 ASP C 21 -11.063 6.658 25.671 1.00 0.00 H ATOM 1082 N ALA C 22 -9.511 4.857 22.247 1.00 42.34 N ATOM 1083 CA ALA C 22 -9.503 4.192 20.915 1.00 31.40 C ATOM 1084 C ALA C 22 -10.904 3.689 20.550 1.00 25.85 C ATOM 1085 O ALA C 22 -11.596 2.986 21.335 1.00 29.17 O ATOM 1086 CB ALA C 22 -8.509 3.063 20.874 1.00 31.58 C ATOM 1087 H ALA C 22 -8.978 4.416 23.024 1.00 0.00 H ATOM 1088 N THR C 23 -11.287 3.888 19.299 1.00 20.81 N ATOM 1089 CA THR C 23 -12.576 3.465 18.747 1.00 19.47 C ATOM 1090 C THR C 23 -12.619 1.945 18.614 1.00 18.87 C ATOM 1091 O THR C 23 -13.686 1.330 18.801 1.00 21.36 O ATOM 1092 CB THR C 23 -12.784 4.144 17.395 1.00 22.24 C ATOM 1093 OG1 THR C 23 -12.783 5.558 17.648 1.00 25.23 O ATOM 1094 CG2 THR C 23 -14.071 3.710 16.755 1.00 21.39 C ATOM 1095 HG1 THR C 23 -12.916 6.045 16.796 1.00 0.00 H ATOM 1096 H THR C 23 -10.626 4.379 18.663 1.00 0.00 H ATOM 1097 N PHE C 24 -11.532 1.359 18.126 1.00 16.53 N ATOM 1098 CA PHE C 24 -11.465 -0.094 17.943 1.00 16.85 C ATOM 1099 C PHE C 24 -10.328 -0.668 18.756 1.00 17.46 C ATOM 1100 O PHE C 24 -9.374 0.049 19.134 1.00 19.77 O ATOM 1101 CB PHE C 24 -11.210 -0.472 16.467 1.00 15.62 C ATOM 1102 CG PHE C 24 -12.138 0.202 15.510 1.00 16.52 C ATOM 1103 CD1 PHE C 24 -13.503 -0.005 15.600 1.00 18.31 C ATOM 1104 CD2 PHE C 24 -11.680 0.951 14.429 1.00 17.33 C ATOM 1105 CE1 PHE C 24 -14.393 0.602 14.722 1.00 20.40 C ATOM 1106 CE2 PHE C 24 -12.572 1.536 13.555 1.00 19.06 C ATOM 1107 CZ PHE C 24 -13.922 1.392 13.702 1.00 19.71 C ATOM 1108 H PHE C 24 -10.711 1.943 17.868 1.00 0.00 H ATOM 1109 N GLY C 25 -10.433 -1.954 18.993 1.00 17.80 N ATOM 1110 CA GLY C 25 -9.428 -2.760 19.652 1.00 17.59 C ATOM 1111 C GLY C 25 -8.916 -3.858 18.763 1.00 14.46 C ATOM 1112 O GLY C 25 -9.583 -4.239 17.769 1.00 14.50 O ATOM 1113 H GLY C 25 -11.304 -2.430 18.684 1.00 0.00 H ATOM 1114 N MET C 26 -7.814 -4.426 19.167 1.00 15.62 N ATOM 1115 CA MET C 26 -7.219 -5.568 18.477 1.00 14.46 C ATOM 1116 C MET C 26 -8.269 -6.654 18.340 1.00 15.40 C ATOM 1117 O MET C 26 -8.965 -7.038 19.310 1.00 16.75 O ATOM 1118 CB MET C 26 -5.999 -6.152 19.187 1.00 16.10 C ATOM 1119 CG MET C 26 -4.859 -5.146 19.254 1.00 17.10 C ATOM 1120 SD MET C 26 -4.109 -4.847 17.625 1.00 20.13 S ATOM 1121 CE MET C 26 -3.220 -6.378 17.469 1.00 23.83 C ATOM 1122 H MET C 26 -7.340 -4.051 20.014 1.00 0.00 H ATOM 1123 N GLY C 27 -8.376 -7.228 17.178 1.00 13.43 N ATOM 1124 CA GLY C 27 -9.288 -8.309 16.885 1.00 14.13 C ATOM 1125 C GLY C 27 -10.696 -7.922 16.514 1.00 14.65 C ATOM 1126 O GLY C 27 -11.475 -8.796 16.082 1.00 16.09 O ATOM 1127 H GLY C 27 -7.765 -6.886 16.409 1.00 0.00 H ATOM 1128 N ASP C 28 -11.033 -6.648 16.561 1.00 12.32 N ATOM 1129 CA ASP C 28 -12.373 -6.216 16.122 1.00 12.37 C ATOM 1130 C ASP C 28 -12.495 -6.509 14.641 1.00 13.22 C ATOM 1131 O ASP C 28 -11.504 -6.291 13.882 1.00 13.58 O ATOM 1132 CB ASP C 28 -12.618 -4.738 16.361 1.00 12.88 C ATOM 1133 CG ASP C 28 -12.970 -4.309 17.752 1.00 14.97 C ATOM 1134 OD1 ASP C 28 -13.345 -5.200 18.526 1.00 19.40 O ATOM 1135 OD2 ASP C 28 -12.861 -3.116 18.009 1.00 15.76 O ATOM 1136 H ASP C 28 -10.351 -5.945 16.909 1.00 0.00 H ATOM 1137 N ARG C 29 -13.660 -6.895 14.181 1.00 12.66 N ATOM 1138 CA ARG C 29 -13.946 -7.118 12.756 1.00 11.69 C ATOM 1139 C ARG C 29 -14.461 -5.820 12.220 1.00 12.11 C ATOM 1140 O ARG C 29 -15.472 -5.282 12.759 1.00 12.67 O ATOM 1141 CB ARG C 29 -14.935 -8.246 12.537 1.00 12.70 C ATOM 1142 CG ARG C 29 -15.051 -8.707 11.097 1.00 14.30 C ATOM 1143 CD ARG C 29 -16.115 -9.784 10.996 1.00 16.95 C ATOM 1144 NE ARG C 29 -16.216 -10.335 9.650 1.00 18.25 N ATOM 1145 CZ ARG C 29 -17.243 -11.033 9.236 1.00 21.12 C ATOM 1146 NH1 ARG C 29 -18.348 -11.101 9.978 1.00 24.40 N ATOM 1147 NH2 ARG C 29 -17.195 -11.595 8.057 1.00 22.51 N ATOM 1148 HE ARG C 29 -15.434 -10.165 8.986 1.00 0.00 H ATOM 1149 HH12 ARG C 29 -19.163 -11.656 9.647 1.00 0.00 H ATOM 1150 HH11 ARG C 29 -18.395 -10.599 10.888 1.00 0.00 H ATOM 1151 HH22 ARG C 29 -18.003 -12.153 7.714 1.00 0.00 H ATOM 1152 HH21 ARG C 29 -16.349 -11.484 7.462 1.00 0.00 H ATOM 1153 H ARG C 29 -14.428 -7.053 14.864 1.00 0.00 H ATOM 1154 N VAL C 30 -13.840 -5.292 11.187 1.00 10.69 N ATOM 1155 CA VAL C 30 -14.203 -3.992 10.640 1.00 10.93 C ATOM 1156 C VAL C 30 -14.260 -4.087 9.117 1.00 9.73 C ATOM 1157 O VAL C 30 -13.687 -5.015 8.520 1.00 10.48 O ATOM 1158 CB VAL C 30 -13.235 -2.894 11.091 1.00 10.98 C ATOM 1159 CG1 VAL C 30 -13.239 -2.736 12.588 1.00 11.66 C ATOM 1160 CG2 VAL C 30 -11.831 -3.142 10.564 1.00 10.99 C ATOM 1161 H VAL C 30 -13.062 -5.822 10.745 1.00 0.00 H ATOM 1162 N ARG C 31 -14.887 -3.099 8.526 1.00 10.08 N ATOM 1163 CA ARG C 31 -14.861 -2.942 7.063 1.00 10.60 C ATOM 1164 C ARG C 31 -14.707 -1.479 6.710 1.00 10.89 C ATOM 1165 O ARG C 31 -15.123 -0.580 7.454 1.00 11.34 O ATOM 1166 CB ARG C 31 -16.117 -3.510 6.432 1.00 12.34 C ATOM 1167 CG ARG C 31 -17.388 -2.751 6.734 1.00 13.14 C ATOM 1168 CD ARG C 31 -18.568 -3.517 6.129 1.00 16.10 C ATOM 1169 NE ARG C 31 -19.730 -2.779 6.481 1.00 21.24 N ATOM 1170 CZ ARG C 31 -20.974 -3.261 6.444 1.00 24.60 C ATOM 1171 NH1 ARG C 31 -21.962 -2.444 6.774 1.00 26.49 N ATOM 1172 NH2 ARG C 31 -21.215 -4.498 6.047 1.00 27.05 N ATOM 1173 HE ARG C 31 -19.602 -1.794 6.789 1.00 0.00 H ATOM 1174 HH12 ARG C 31 -22.945 -2.783 6.757 1.00 0.00 H ATOM 1175 HH11 ARG C 31 -21.755 -1.463 7.050 1.00 0.00 H ATOM 1176 HH22 ARG C 31 -22.191 -4.856 6.025 1.00 0.00 H ATOM 1177 HH21 ARG C 31 -20.429 -5.114 5.757 1.00 0.00 H ATOM 1178 H ARG C 31 -15.413 -2.412 9.103 1.00 0.00 H ATOM 1179 N LYS C 32 -14.234 -1.230 5.491 1.00 10.21 N ATOM 1180 CA LYS C 32 -14.335 0.112 4.927 1.00 10.83 C ATOM 1181 C LYS C 32 -15.789 0.498 4.700 1.00 11.37 C ATOM 1182 O LYS C 32 -16.549 -0.290 4.160 1.00 12.83 O ATOM 1183 CB LYS C 32 -13.581 0.160 3.620 1.00 12.11 C ATOM 1184 CG LYS C 32 -12.084 0.182 3.717 1.00 13.22 C ATOM 1185 CD LYS C 32 -11.542 1.547 3.916 1.00 15.04 C ATOM 1186 CE LYS C 32 -11.140 2.316 2.673 1.00 13.01 C ATOM 1187 NZ LYS C 32 -12.261 2.619 1.742 1.00 12.78 N ATOM 1188 HZ1 LYS C 32 -12.693 1.729 1.420 1.00 0.00 H ATOM 1189 HZ2 LYS C 32 -12.974 3.193 2.235 1.00 0.00 H ATOM 1190 HZ3 LYS C 32 -11.897 3.145 0.922 1.00 0.00 H ATOM 1191 H LYS C 32 -13.792 -1.993 4.940 1.00 0.00 H ATOM 1192 N LYS C 33 -16.089 1.754 5.037 1.00 12.01 N ATOM 1193 CA LYS C 33 -17.445 2.298 4.904 1.00 12.86 C ATOM 1194 C LYS C 33 -17.752 2.486 3.456 1.00 13.89 C ATOM 1195 O LYS C 33 -18.979 2.405 3.138 1.00 16.59 O ATOM 1196 CB LYS C 33 -17.571 3.597 5.699 1.00 14.21 C ATOM 1197 CG LYS C 33 -17.569 3.482 7.194 1.00 16.98 C ATOM 1198 CD LYS C 33 -17.687 4.903 7.792 1.00 21.38 C ATOM 1199 CE LYS C 33 -17.544 4.966 9.280 1.00 24.71 C ATOM 1200 NZ LYS C 33 -17.536 6.387 9.694 1.00 26.23 N ATOM 1201 HZ1 LYS C 33 -16.737 6.875 9.240 1.00 0.00 H ATOM 1202 HZ2 LYS C 33 -18.428 6.836 9.404 1.00 0.00 H ATOM 1203 HZ3 LYS C 33 -17.437 6.445 10.728 1.00 0.00 H ATOM 1204 H LYS C 33 -15.336 2.368 5.407 1.00 0.00 H ATOM 1205 N SER C 34 -16.820 2.933 2.652 1.00 11.88 N ATOM 1206 CA SER C 34 -17.162 3.390 1.298 1.00 12.23 C ATOM 1207 C SER C 34 -15.957 3.261 0.417 1.00 12.93 C ATOM 1208 O SER C 34 -14.834 3.005 0.908 1.00 13.54 O ATOM 1209 CB SER C 34 -17.750 4.716 1.375 1.00 16.08 C ATOM 1210 OG SER C 34 -16.778 5.667 1.648 1.00 19.76 O ATOM 1211 HG SER C 34 -16.346 5.457 2.514 1.00 0.00 H ATOM 1212 H SER C 34 -15.832 2.965 2.974 1.00 0.00 H ATOM 1213 N GLY C 35 -16.098 3.452 -0.874 1.00 12.24 N ATOM 1214 CA GLY C 35 -14.941 3.429 -1.746 1.00 11.53 C ATOM 1215 C GLY C 35 -14.368 2.059 -1.859 1.00 11.12 C ATOM 1216 O GLY C 35 -15.093 1.059 -1.857 1.00 12.93 O ATOM 1217 H GLY C 35 -17.044 3.620 -1.272 1.00 0.00 H ATOM 1218 N ALA C 36 -13.056 1.957 -1.890 1.00 11.11 N ATOM 1219 CA ALA C 36 -12.414 0.661 -2.029 1.00 10.89 C ATOM 1220 C ALA C 36 -12.798 -0.210 -0.852 1.00 10.68 C ATOM 1221 O ALA C 36 -12.782 0.234 0.329 1.00 12.44 O ATOM 1222 CB ALA C 36 -10.922 0.858 -2.087 1.00 11.84 C ATOM 1223 H ALA C 36 -12.472 2.814 -1.814 1.00 0.00 H ATOM 1224 N ALA C 37 -13.108 -1.445 -1.100 1.00 9.83 N ATOM 1225 CA ALA C 37 -13.570 -2.329 -0.045 1.00 10.02 C ATOM 1226 C ALA C 37 -12.398 -2.950 0.687 1.00 9.96 C ATOM 1227 O ALA C 37 -11.307 -3.197 0.194 1.00 11.33 O ATOM 1228 CB ALA C 37 -14.417 -3.435 -0.594 1.00 10.94 C ATOM 1229 H ALA C 37 -13.024 -1.808 -2.071 1.00 0.00 H ATOM 1230 N TRP C 38 -12.604 -3.224 1.974 1.00 9.85 N ATOM 1231 CA TRP C 38 -11.670 -4.013 2.806 1.00 9.35 C ATOM 1232 C TRP C 38 -12.395 -4.512 4.016 1.00 9.78 C ATOM 1233 O TRP C 38 -13.258 -3.800 4.519 1.00 10.87 O ATOM 1234 CB TRP C 38 -10.485 -3.212 3.305 1.00 9.20 C ATOM 1235 CG TRP C 38 -9.351 -4.052 3.774 1.00 8.94 C ATOM 1236 CD1 TRP C 38 -8.984 -4.388 5.048 1.00 10.38 C ATOM 1237 CD2 TRP C 38 -8.429 -4.711 2.922 1.00 8.32 C ATOM 1238 NE1 TRP C 38 -7.848 -5.164 5.030 1.00 9.74 N ATOM 1239 CE2 TRP C 38 -7.459 -5.313 3.747 1.00 8.80 C ATOM 1240 CE3 TRP C 38 -8.365 -4.929 1.546 1.00 9.31 C ATOM 1241 CZ2 TRP C 38 -6.410 -6.043 3.240 1.00 9.84 C ATOM 1242 CZ3 TRP C 38 -7.317 -5.657 1.063 1.00 9.84 C ATOM 1243 CH2 TRP C 38 -6.394 -6.238 1.909 1.00 10.25 C ATOM 1244 HE1 TRP C 38 -7.371 -5.566 5.862 1.00 0.00 H ATOM 1245 H TRP C 38 -13.471 -2.862 2.419 1.00 0.00 H ATOM 1246 N GLN C 39 -12.121 -5.714 4.444 1.00 10.13 N ATOM 1247 CA GLN C 39 -12.838 -6.254 5.616 1.00 9.83 C ATOM 1248 C GLN C 39 -11.942 -7.260 6.299 1.00 10.75 C ATOM 1249 O GLN C 39 -11.333 -8.116 5.617 1.00 11.12 O ATOM 1250 CB GLN C 39 -14.118 -6.900 5.115 1.00 11.27 C ATOM 1251 CG GLN C 39 -15.027 -7.404 6.209 1.00 12.13 C ATOM 1252 CD GLN C 39 -16.409 -7.646 5.701 1.00 13.58 C ATOM 1253 OE1 GLN C 39 -17.095 -6.738 5.236 1.00 14.48 O ATOM 1254 NE2 GLN C 39 -16.842 -8.874 5.814 1.00 15.87 N ATOM 1255 HE22 GLN C 39 -16.224 -9.609 6.214 1.00 0.00 H ATOM 1256 HE21 GLN C 39 -17.805 -9.117 5.504 1.00 0.00 H ATOM 1257 H GLN C 39 -11.401 -6.289 3.962 1.00 0.00 H ATOM 1258 N GLY C 40 -11.883 -7.203 7.610 1.00 10.03 N ATOM 1259 CA GLY C 40 -11.133 -8.168 8.384 1.00 9.97 C ATOM 1260 C GLY C 40 -10.890 -7.659 9.774 1.00 11.05 C ATOM 1261 O GLY C 40 -11.703 -6.901 10.300 1.00 12.29 O ATOM 1262 H GLY C 40 -12.390 -6.442 8.106 1.00 0.00 H ATOM 1263 N GLN C 41 -9.810 -8.066 10.374 1.00 10.71 N ATOM 1264 CA GLN C 41 -9.581 -7.841 11.805 1.00 10.91 C ATOM 1265 C GLN C 41 -8.583 -6.724 11.997 1.00 10.52 C ATOM 1266 O GLN C 41 -7.553 -6.613 11.299 1.00 10.27 O ATOM 1267 CB GLN C 41 -9.088 -9.092 12.505 1.00 14.75 C ATOM 1268 CG GLN C 41 -10.266 -10.049 12.701 1.00 19.61 C ATOM 1269 CD GLN C 41 -9.844 -11.206 13.568 1.00 28.28 C ATOM 1270 OE1 GLN C 41 -9.632 -11.071 14.774 1.00 35.69 O ATOM 1271 NE2 GLN C 41 -9.605 -12.313 12.907 1.00 28.19 N ATOM 1272 HE22 GLN C 41 -9.806 -12.364 11.888 1.00 0.00 H ATOM 1273 HE21 GLN C 41 -9.215 -13.140 13.402 1.00 0.00 H ATOM 1274 H GLN C 41 -9.086 -8.567 9.821 1.00 0.00 H ATOM 1275 N ILE C 42 -8.817 -5.951 13.035 1.00 10.15 N ATOM 1276 CA ILE C 42 -7.837 -4.954 13.495 1.00 9.76 C ATOM 1277 C ILE C 42 -6.608 -5.691 14.014 1.00 10.44 C ATOM 1278 O ILE C 42 -6.745 -6.569 14.904 1.00 10.79 O ATOM 1279 CB ILE C 42 -8.411 -4.075 14.615 1.00 10.78 C ATOM 1280 CG1 ILE C 42 -9.629 -3.285 14.154 1.00 11.91 C ATOM 1281 CG2 ILE C 42 -7.359 -3.189 15.254 1.00 11.84 C ATOM 1282 CD1 ILE C 42 -9.316 -2.158 13.269 1.00 12.61 C ATOM 1283 H ILE C 42 -9.719 -6.047 13.544 1.00 0.00 H ATOM 1284 N VAL C 43 -5.424 -5.391 13.464 1.00 9.52 N ATOM 1285 CA VAL C 43 -4.141 -5.997 13.847 1.00 9.55 C ATOM 1286 C VAL C 43 -3.115 -4.942 14.214 1.00 9.90 C ATOM 1287 O VAL C 43 -1.971 -5.278 14.507 1.00 10.89 O ATOM 1288 CB VAL C 43 -3.606 -6.900 12.726 1.00 10.05 C ATOM 1289 CG1 VAL C 43 -4.533 -8.097 12.535 1.00 10.40 C ATOM 1290 CG2 VAL C 43 -3.392 -6.140 11.456 1.00 9.41 C ATOM 1291 H VAL C 43 -5.412 -4.676 12.709 1.00 0.00 H ATOM 1292 N GLY C 44 -3.472 -3.662 14.251 1.00 9.88 N ATOM 1293 CA GLY C 44 -2.535 -2.631 14.707 1.00 10.88 C ATOM 1294 C GLY C 44 -3.125 -1.266 14.540 1.00 10.17 C ATOM 1295 O GLY C 44 -4.310 -1.101 14.311 1.00 10.07 O ATOM 1296 H GLY C 44 -4.430 -3.388 13.952 1.00 0.00 H ATOM 1297 N TRP C 45 -2.261 -0.288 14.736 1.00 11.20 N ATOM 1298 CA TRP C 45 -2.663 1.108 14.891 1.00 11.88 C ATOM 1299 C TRP C 45 -1.551 2.016 14.476 1.00 11.65 C ATOM 1300 O TRP C 45 -0.374 1.616 14.458 1.00 12.35 O ATOM 1301 CB TRP C 45 -3.136 1.359 16.293 1.00 15.03 C ATOM 1302 CG TRP C 45 -3.061 2.727 16.956 1.00 19.14 C ATOM 1303 CD1 TRP C 45 -4.166 3.540 17.061 1.00 22.10 C ATOM 1304 CD2 TRP C 45 -1.966 3.501 17.459 1.00 20.50 C ATOM 1305 NE1 TRP C 45 -3.825 4.770 17.551 1.00 23.79 N ATOM 1306 CE2 TRP C 45 -2.486 4.780 17.790 1.00 20.88 C ATOM 1307 CE3 TRP C 45 -0.613 3.263 17.620 1.00 22.31 C ATOM 1308 CZ2 TRP C 45 -1.723 5.750 18.420 1.00 20.95 C ATOM 1309 CZ3 TRP C 45 0.172 4.277 18.135 1.00 23.48 C ATOM 1310 CH2 TRP C 45 -0.383 5.488 18.542 1.00 23.72 C ATOM 1311 HE1 TRP C 45 -4.478 5.563 17.713 1.00 0.00 H ATOM 1312 H TRP C 45 -1.249 -0.521 14.782 1.00 0.00 H ATOM 1313 N TYR C 46 -1.896 3.216 14.053 1.00 11.13 N ATOM 1314 CA TYR C 46 -0.892 4.230 13.742 1.00 10.54 C ATOM 1315 C TYR C 46 -1.489 5.603 13.981 1.00 11.05 C ATOM 1316 O TYR C 46 -2.693 5.772 14.046 1.00 11.36 O ATOM 1317 CB TYR C 46 -0.344 4.066 12.331 1.00 10.72 C ATOM 1318 CG TYR C 46 -1.274 4.406 11.208 1.00 10.89 C ATOM 1319 CD1 TYR C 46 -2.343 3.580 10.862 1.00 11.01 C ATOM 1320 CD2 TYR C 46 -1.164 5.581 10.454 1.00 11.59 C ATOM 1321 CE1 TYR C 46 -3.229 3.917 9.894 1.00 11.63 C ATOM 1322 CE2 TYR C 46 -2.011 5.891 9.423 1.00 12.48 C ATOM 1323 CZ TYR C 46 -3.075 5.049 9.143 1.00 11.70 C ATOM 1324 OH TYR C 46 -3.934 5.329 8.112 1.00 13.81 O ATOM 1325 HH TYR C 46 -4.365 6.206 8.272 1.00 0.00 H ATOM 1326 H TYR C 46 -2.904 3.445 13.938 1.00 0.00 H ATOM 1327 N CYS C 47 -0.579 6.587 14.043 1.00 11.70 N ATOM 1328 CA CYS C 47 -0.934 7.958 14.429 1.00 11.88 C ATOM 1329 C CYS C 47 0.015 8.890 13.717 1.00 11.24 C ATOM 1330 O CYS C 47 1.224 8.870 13.970 1.00 12.68 O ATOM 1331 CB CYS C 47 -0.837 8.071 15.949 1.00 12.93 C ATOM 1332 SG CYS C 47 -0.980 9.767 16.548 1.00 15.54 S ATOM 1333 H CYS C 47 0.411 6.371 13.810 1.00 0.00 H ATOM 1334 N THR C 48 -0.552 9.712 12.852 1.00 10.33 N ATOM 1335 CA THR C 48 0.146 10.787 12.149 1.00 10.72 C ATOM 1336 C THR C 48 -0.641 12.070 12.278 1.00 10.11 C ATOM 1337 O THR C 48 -1.777 12.052 12.684 1.00 11.39 O ATOM 1338 CB THR C 48 0.399 10.511 10.680 1.00 10.95 C ATOM 1339 OG1 THR C 48 -0.858 10.530 10.042 1.00 11.19 O ATOM 1340 CG2 THR C 48 1.123 9.202 10.449 1.00 12.39 C ATOM 1341 HG1 THR C 48 -0.739 10.353 9.075 1.00 0.00 H ATOM 1342 H THR C 48 -1.566 9.585 12.658 1.00 0.00 H ATOM 1343 N ASN C 49 -0.034 13.181 11.907 1.00 10.50 N ATOM 1344 CA ASN C 49 -0.806 14.425 11.931 1.00 11.41 C ATOM 1345 C ASN C 49 -1.998 14.361 10.986 1.00 10.99 C ATOM 1346 O ASN C 49 -3.066 14.886 11.300 1.00 11.17 O ATOM 1347 CB ASN C 49 0.045 15.645 11.599 1.00 12.03 C ATOM 1348 CG ASN C 49 0.852 16.148 12.771 1.00 14.72 C ATOM 1349 OD1 ASN C 49 0.608 17.249 13.292 1.00 16.68 O ATOM 1350 ND2 ASN C 49 1.725 15.349 13.284 1.00 17.24 N ATOM 1351 HD22 ASN C 49 1.917 14.431 12.835 1.00 0.00 H ATOM 1352 HD21 ASN C 49 2.237 15.623 14.147 1.00 0.00 H ATOM 1353 H ASN C 49 0.962 13.174 11.607 1.00 0.00 H ATOM 1354 N LEU C 50 -1.856 13.743 9.820 1.00 11.50 N ATOM 1355 CA LEU C 50 -2.953 13.634 8.868 1.00 12.09 C ATOM 1356 C LEU C 50 -3.981 12.637 9.356 1.00 11.58 C ATOM 1357 O LEU C 50 -5.163 12.829 9.111 1.00 13.17 O ATOM 1358 CB LEU C 50 -2.400 13.160 7.532 1.00 16.63 C ATOM 1359 CG LEU C 50 -3.378 12.888 6.424 1.00 20.29 C ATOM 1360 CD1 LEU C 50 -3.967 14.225 6.007 1.00 20.81 C ATOM 1361 CD2 LEU C 50 -2.645 12.241 5.257 1.00 21.64 C ATOM 1362 H LEU C 50 -0.935 13.325 9.579 1.00 0.00 H ATOM 1363 N THR C 51 -3.552 11.575 10.043 1.00 11.48 N ATOM 1364 CA THR C 51 -4.424 10.499 10.528 1.00 11.24 C ATOM 1365 C THR C 51 -4.097 10.259 11.980 1.00 11.41 C ATOM 1366 O THR C 51 -3.333 9.341 12.293 1.00 11.43 O ATOM 1367 CB THR C 51 -4.226 9.246 9.687 1.00 12.61 C ATOM 1368 OG1 THR C 51 -4.469 9.577 8.308 1.00 14.93 O ATOM 1369 CG2 THR C 51 -5.115 8.125 10.156 1.00 13.00 C ATOM 1370 HG1 THR C 51 -4.343 8.770 7.749 1.00 0.00 H ATOM 1371 H THR C 51 -2.535 11.506 10.247 1.00 0.00 H ATOM 1372 N PRO C 52 -4.622 11.053 12.894 1.00 12.03 N ATOM 1373 CA PRO C 52 -4.257 10.893 14.293 1.00 11.92 C ATOM 1374 C PRO C 52 -4.772 9.628 14.946 1.00 12.98 C ATOM 1375 O PRO C 52 -4.265 9.219 16.001 1.00 14.40 O ATOM 1376 CB PRO C 52 -4.814 12.152 14.962 1.00 13.79 C ATOM 1377 CG PRO C 52 -5.869 12.572 14.060 1.00 14.41 C ATOM 1378 CD PRO C 52 -5.427 12.257 12.649 1.00 13.28 C ATOM 1379 N GLU C 53 -5.741 8.963 14.331 1.00 11.93 N ATOM 1380 CA GLU C 53 -6.226 7.654 14.801 1.00 11.35 C ATOM 1381 C GLU C 53 -6.425 6.781 13.578 1.00 11.59 C ATOM 1382 O GLU C 53 -7.396 6.951 12.842 1.00 13.05 O ATOM 1383 CB GLU C 53 -7.529 7.782 15.592 1.00 13.53 C ATOM 1384 CG GLU C 53 -8.016 6.482 16.174 1.00 14.07 C ATOM 1385 CD GLU C 53 -9.291 6.556 16.954 1.00 17.58 C ATOM 1386 OE1 GLU C 53 -9.803 7.693 17.228 1.00 19.31 O ATOM 1387 OE2 GLU C 53 -9.814 5.508 17.304 1.00 16.18 O ATOM 1388 H GLU C 53 -6.175 9.382 13.484 1.00 0.00 H ATOM 1389 N GLY C 54 -5.460 5.914 13.348 1.00 11.31 N ATOM 1390 CA GLY C 54 -5.483 4.998 12.184 1.00 11.07 C ATOM 1391 C GLY C 54 -5.369 3.568 12.666 1.00 9.93 C ATOM 1392 O GLY C 54 -4.806 3.293 13.728 1.00 10.48 O ATOM 1393 H GLY C 54 -4.655 5.871 14.005 1.00 0.00 H ATOM 1394 N TYR C 55 -5.833 2.681 11.814 1.00 9.36 N ATOM 1395 CA TYR C 55 -5.823 1.246 12.134 1.00 9.85 C ATOM 1396 C TYR C 55 -5.234 0.447 10.991 1.00 9.81 C ATOM 1397 O TYR C 55 -5.437 0.744 9.835 1.00 10.00 O ATOM 1398 CB TYR C 55 -7.208 0.720 12.495 1.00 10.46 C ATOM 1399 CG TYR C 55 -7.713 1.349 13.772 1.00 11.11 C ATOM 1400 CD1 TYR C 55 -7.374 0.791 14.971 1.00 12.28 C ATOM 1401 CD2 TYR C 55 -8.449 2.509 13.762 1.00 12.34 C ATOM 1402 CE1 TYR C 55 -7.773 1.378 16.165 1.00 13.13 C ATOM 1403 CE2 TYR C 55 -8.880 3.098 14.955 1.00 11.85 C ATOM 1404 CZ TYR C 55 -8.552 2.509 16.125 1.00 14.19 C ATOM 1405 OH TYR C 55 -8.940 3.081 17.334 1.00 16.29 O ATOM 1406 HH TYR C 55 -8.551 3.988 17.408 1.00 0.00 H ATOM 1407 H TYR C 55 -6.213 2.999 10.900 1.00 0.00 H ATOM 1408 N ALA C 56 -4.541 -0.621 11.352 1.00 9.68 N ATOM 1409 CA ALA C 56 -4.128 -1.671 10.421 1.00 9.45 C ATOM 1410 C ALA C 56 -5.175 -2.775 10.457 1.00 9.63 C ATOM 1411 O ALA C 56 -5.531 -3.221 11.552 1.00 10.18 O ATOM 1412 CB ALA C 56 -2.779 -2.218 10.789 1.00 10.00 C ATOM 1413 H ALA C 56 -4.275 -0.719 12.353 1.00 0.00 H ATOM 1414 N VAL C 57 -5.607 -3.229 9.302 1.00 8.92 N ATOM 1415 CA VAL C 57 -6.657 -4.254 9.176 1.00 8.54 C ATOM 1416 C VAL C 57 -6.120 -5.355 8.288 1.00 9.01 C ATOM 1417 O VAL C 57 -5.778 -5.122 7.107 1.00 9.41 O ATOM 1418 CB VAL C 57 -7.911 -3.654 8.571 1.00 9.79 C ATOM 1419 CG1 VAL C 57 -9.051 -4.671 8.543 1.00 9.92 C ATOM 1420 CG2 VAL C 57 -8.383 -2.371 9.274 1.00 10.32 C ATOM 1421 H VAL C 57 -5.186 -2.845 8.432 1.00 0.00 H ATOM 1422 N GLU C 58 -6.119 -6.568 8.819 1.00 8.90 N ATOM 1423 CA GLU C 58 -5.730 -7.743 8.024 1.00 9.62 C ATOM 1424 C GLU C 58 -6.952 -8.279 7.312 1.00 9.41 C ATOM 1425 O GLU C 58 -7.980 -8.528 7.964 1.00 10.63 O ATOM 1426 CB GLU C 58 -5.126 -8.805 8.916 1.00 10.18 C ATOM 1427 CG GLU C 58 -4.629 -10.013 8.125 1.00 10.49 C ATOM 1428 CD GLU C 58 -3.981 -11.081 8.948 1.00 11.81 C ATOM 1429 OE1 GLU C 58 -4.075 -11.052 10.191 1.00 13.18 O ATOM 1430 OE2 GLU C 58 -3.415 -12.046 8.369 1.00 13.80 O ATOM 1431 H GLU C 58 -6.397 -6.692 9.813 1.00 0.00 H ATOM 1432 N SER C 59 -6.888 -8.456 6.025 1.00 9.27 N ATOM 1433 CA SER C 59 -8.035 -8.996 5.262 1.00 9.45 C ATOM 1434 C SER C 59 -8.424 -10.384 5.788 1.00 10.29 C ATOM 1435 O SER C 59 -7.549 -11.245 5.980 1.00 11.69 O ATOM 1436 CB SER C 59 -7.668 -9.096 3.827 1.00 10.24 C ATOM 1437 OG SER C 59 -8.678 -9.794 3.101 1.00 10.88 O ATOM 1438 HG SER C 59 -9.536 -9.307 3.181 1.00 0.00 H ATOM 1439 H SER C 59 -6.011 -8.213 5.521 1.00 0.00 H ATOM 1440 N GLU C 60 -9.700 -10.613 5.923 1.00 10.97 N ATOM 1441 CA GLU C 60 -10.218 -11.963 6.239 1.00 11.52 C ATOM 1442 C GLU C 60 -10.300 -12.791 4.998 1.00 12.60 C ATOM 1443 O GLU C 60 -10.431 -14.031 5.165 1.00 15.88 O ATOM 1444 CB GLU C 60 -11.554 -11.841 6.944 1.00 12.98 C ATOM 1445 CG GLU C 60 -12.698 -11.313 6.148 1.00 13.74 C ATOM 1446 CD GLU C 60 -13.937 -10.930 6.932 1.00 15.78 C ATOM 1447 OE1 GLU C 60 -13.826 -10.634 8.148 1.00 17.76 O ATOM 1448 OE2 GLU C 60 -15.006 -10.979 6.289 1.00 17.66 O ATOM 1449 H GLU C 60 -10.371 -9.827 5.806 1.00 0.00 H ATOM 1450 N ALA C 61 -10.233 -12.226 3.823 1.00 10.98 N ATOM 1451 CA ALA C 61 -10.234 -12.966 2.550 1.00 11.95 C ATOM 1452 C ALA C 61 -8.837 -13.311 2.084 1.00 12.41 C ATOM 1453 O ALA C 61 -8.633 -14.362 1.442 1.00 12.70 O ATOM 1454 CB ALA C 61 -10.895 -12.183 1.484 1.00 11.32 C ATOM 1455 H ALA C 61 -10.175 -11.188 3.784 1.00 0.00 H ATOM 1456 N HIS C 62 -7.865 -12.493 2.443 1.00 10.79 N ATOM 1457 CA HIS C 62 -6.481 -12.559 1.941 1.00 10.42 C ATOM 1458 C HIS C 62 -5.559 -12.557 3.151 1.00 10.71 C ATOM 1459 O HIS C 62 -4.960 -11.530 3.484 1.00 10.67 O ATOM 1460 CB HIS C 62 -6.163 -11.392 1.006 1.00 10.59 C ATOM 1461 CG HIS C 62 -7.037 -11.225 -0.173 1.00 10.42 C ATOM 1462 ND1 HIS C 62 -7.365 -12.231 -1.029 1.00 12.48 N ATOM 1463 CD2 HIS C 62 -7.679 -10.131 -0.640 1.00 12.29 C ATOM 1464 CE1 HIS C 62 -8.132 -11.716 -2.019 1.00 11.53 C ATOM 1465 NE2 HIS C 62 -8.339 -10.453 -1.800 1.00 12.60 N ATOM 1466 H HIS C 62 -8.093 -11.747 3.131 1.00 0.00 H ATOM 1467 N PRO C 63 -5.424 -13.693 3.857 1.00 11.02 N ATOM 1468 CA PRO C 63 -4.595 -13.741 5.040 1.00 10.95 C ATOM 1469 C PRO C 63 -3.204 -13.196 4.775 1.00 10.25 C ATOM 1470 O PRO C 63 -2.538 -13.469 3.768 1.00 10.80 O ATOM 1471 CB PRO C 63 -4.514 -15.225 5.390 1.00 13.88 C ATOM 1472 CG PRO C 63 -5.725 -15.789 4.797 1.00 15.39 C ATOM 1473 CD PRO C 63 -6.059 -14.975 3.567 1.00 12.82 C ATOM 1474 N GLY C 64 -2.702 -12.385 5.720 1.00 9.97 N ATOM 1475 CA GLY C 64 -1.372 -11.816 5.678 1.00 10.38 C ATOM 1476 C GLY C 64 -1.347 -10.456 5.041 1.00 9.87 C ATOM 1477 O GLY C 64 -0.361 -9.740 5.225 1.00 11.61 O ATOM 1478 H GLY C 64 -3.307 -12.151 6.533 1.00 0.00 H ATOM 1479 N SER C 65 -2.358 -10.120 4.251 1.00 9.92 N ATOM 1480 CA SER C 65 -2.385 -8.786 3.618 1.00 9.01 C ATOM 1481 C SER C 65 -3.047 -7.817 4.538 1.00 9.68 C ATOM 1482 O SER C 65 -4.145 -8.068 5.031 1.00 10.03 O ATOM 1483 CB SER C 65 -3.089 -8.822 2.290 1.00 10.20 C ATOM 1484 OG SER C 65 -2.163 -9.431 1.331 1.00 12.64 O ATOM 1485 HG SER C 65 -1.339 -8.884 1.276 1.00 0.00 H ATOM 1486 H SER C 65 -3.130 -10.795 4.078 1.00 0.00 H ATOM 1487 N VAL C 66 -2.381 -6.711 4.734 1.00 9.62 N ATOM 1488 CA VAL C 66 -2.776 -5.667 5.692 1.00 10.11 C ATOM 1489 C VAL C 66 -2.869 -4.346 5.005 1.00 10.65 C ATOM 1490 O VAL C 66 -1.960 -4.025 4.210 1.00 11.55 O ATOM 1491 CB VAL C 66 -1.811 -5.584 6.883 1.00 9.69 C ATOM 1492 CG1 VAL C 66 -2.182 -4.505 7.868 1.00 10.61 C ATOM 1493 CG2 VAL C 66 -1.709 -6.916 7.574 1.00 11.20 C ATOM 1494 H VAL C 66 -1.516 -6.559 4.177 1.00 0.00 H ATOM 1495 N GLN C 67 -3.917 -3.593 5.258 1.00 9.62 N ATOM 1496 CA GLN C 67 -4.018 -2.207 4.784 1.00 11.06 C ATOM 1497 C GLN C 67 -4.280 -1.343 5.984 1.00 10.25 C ATOM 1498 O GLN C 67 -4.811 -1.782 6.999 1.00 11.11 O ATOM 1499 CB GLN C 67 -5.080 -2.069 3.709 1.00 12.80 C ATOM 1500 CG GLN C 67 -4.718 -2.656 2.362 1.00 22.25 C ATOM 1501 CD GLN C 67 -4.563 -1.744 1.169 1.00 34.97 C ATOM 1502 OE1 GLN C 67 -3.812 -0.765 1.200 1.00 49.45 O ATOM 1503 NE2 GLN C 67 -5.186 -2.138 0.062 1.00 47.06 N ATOM 1504 HE22 GLN C 67 -5.810 -2.970 0.084 1.00 0.00 H ATOM 1505 HE21 GLN C 67 -5.049 -1.614 -0.826 1.00 0.00 H ATOM 1506 H GLN C 67 -4.701 -3.993 5.813 1.00 0.00 H ATOM 1507 N ILE C 68 -3.912 -0.086 5.883 1.00 10.21 N ATOM 1508 CA ILE C 68 -4.041 0.923 6.960 1.00 10.25 C ATOM 1509 C ILE C 68 -5.005 2.018 6.507 1.00 9.47 C ATOM 1510 O ILE C 68 -4.935 2.511 5.340 1.00 11.12 O ATOM 1511 CB ILE C 68 -2.687 1.456 7.384 1.00 11.62 C ATOM 1512 CG1 ILE C 68 -1.902 2.059 6.236 1.00 14.10 C ATOM 1513 CG2 ILE C 68 -1.918 0.427 8.137 1.00 14.14 C ATOM 1514 CD1 ILE C 68 -0.643 2.789 6.691 1.00 16.62 C ATOM 1515 H ILE C 68 -3.499 0.224 4.980 1.00 0.00 H ATOM 1516 N TYR C 69 -5.843 2.416 7.430 1.00 9.35 N ATOM 1517 CA TYR C 69 -6.884 3.411 7.156 1.00 10.01 C ATOM 1518 C TYR C 69 -7.143 4.300 8.361 1.00 10.23 C ATOM 1519 O TYR C 69 -7.059 3.842 9.497 1.00 10.17 O ATOM 1520 CB TYR C 69 -8.221 2.783 6.773 1.00 10.66 C ATOM 1521 CG TYR C 69 -8.153 1.832 5.594 1.00 11.19 C ATOM 1522 CD1 TYR C 69 -8.015 2.251 4.309 1.00 12.47 C ATOM 1523 CD2 TYR C 69 -8.149 0.486 5.849 1.00 11.66 C ATOM 1524 CE1 TYR C 69 -7.949 1.333 3.266 1.00 13.31 C ATOM 1525 CE2 TYR C 69 -8.100 -0.446 4.838 1.00 13.29 C ATOM 1526 CZ TYR C 69 -7.997 -0.012 3.542 1.00 12.52 C ATOM 1527 OH TYR C 69 -7.985 -0.991 2.524 1.00 15.68 O ATOM 1528 HH TYR C 69 -7.907 -0.548 1.642 1.00 0.00 H ATOM 1529 H TYR C 69 -5.768 2.014 8.386 1.00 0.00 H ATOM 1530 N PRO C 70 -7.612 5.535 8.118 1.00 10.56 N ATOM 1531 CA PRO C 70 -8.109 6.364 9.215 1.00 10.86 C ATOM 1532 C PRO C 70 -9.355 5.768 9.824 1.00 11.22 C ATOM 1533 O PRO C 70 -10.148 5.136 9.147 1.00 11.08 O ATOM 1534 CB PRO C 70 -8.444 7.694 8.542 1.00 11.49 C ATOM 1535 CG PRO C 70 -7.693 7.674 7.265 1.00 12.14 C ATOM 1536 CD PRO C 70 -7.669 6.217 6.823 1.00 10.87 C ATOM 1537 N VAL C 71 -9.561 6.026 11.081 1.00 10.76 N ATOM 1538 CA VAL C 71 -10.747 5.533 11.801 1.00 12.45 C ATOM 1539 C VAL C 71 -12.018 5.962 11.075 1.00 12.12 C ATOM 1540 O VAL C 71 -12.957 5.125 11.032 1.00 14.24 O ATOM 1541 CB VAL C 71 -10.718 5.977 13.276 1.00 13.58 C ATOM 1542 CG1 VAL C 71 -10.837 7.500 13.435 1.00 14.48 C ATOM 1543 CG2 VAL C 71 -11.799 5.259 14.069 1.00 15.68 C ATOM 1544 H VAL C 71 -8.864 6.601 11.596 1.00 0.00 H ATOM 1545 N ALA C 72 -12.088 7.167 10.541 1.00 12.69 N ATOM 1546 CA ALA C 72 -13.339 7.632 9.904 1.00 13.48 C ATOM 1547 C ALA C 72 -13.717 6.763 8.721 1.00 13.76 C ATOM 1548 O ALA C 72 -14.880 6.826 8.265 1.00 14.96 O ATOM 1549 CB ALA C 72 -13.152 9.071 9.479 1.00 16.10 C ATOM 1550 H ALA C 72 -11.258 7.793 10.568 1.00 0.00 H ATOM 1551 N ALA C 73 -12.781 6.045 8.136 1.00 12.24 N ATOM 1552 CA ALA C 73 -12.995 5.226 6.956 1.00 12.01 C ATOM 1553 C ALA C 73 -13.580 3.856 7.345 1.00 11.76 C ATOM 1554 O ALA C 73 -13.912 3.146 6.387 1.00 11.78 O ATOM 1555 CB ALA C 73 -11.734 5.071 6.162 1.00 11.82 C ATOM 1556 H ALA C 73 -11.825 6.066 8.546 1.00 0.00 H ATOM 1557 N LEU C 74 -13.604 3.476 8.607 1.00 11.56 N ATOM 1558 CA LEU C 74 -13.893 2.095 9.032 1.00 11.61 C ATOM 1559 C LEU C 74 -15.126 2.061 9.899 1.00 12.93 C ATOM 1560 O LEU C 74 -15.405 3.011 10.633 1.00 13.92 O ATOM 1561 CB LEU C 74 -12.693 1.556 9.811 1.00 12.43 C ATOM 1562 CG LEU C 74 -11.392 1.392 9.016 1.00 11.49 C ATOM 1563 CD1 LEU C 74 -10.247 1.103 9.969 1.00 12.47 C ATOM 1564 CD2 LEU C 74 -11.510 0.324 7.974 1.00 12.22 C ATOM 1565 H LEU C 74 -13.409 4.187 9.340 1.00 0.00 H ATOM 1566 N GLU C 75 -15.774 0.918 9.870 1.00 11.66 N ATOM 1567 CA GLU C 75 -16.889 0.640 10.782 1.00 13.30 C ATOM 1568 C GLU C 75 -16.776 -0.783 11.265 1.00 13.58 C ATOM 1569 O GLU C 75 -16.395 -1.709 10.542 1.00 12.49 O ATOM 1570 CB GLU C 75 -18.232 0.930 10.150 1.00 15.68 C ATOM 1571 CG GLU C 75 -18.536 0.126 8.960 1.00 15.69 C ATOM 1572 CD GLU C 75 -19.760 0.587 8.161 1.00 25.92 C ATOM 1573 OE1 GLU C 75 -20.377 1.607 8.557 1.00 26.97 O ATOM 1574 OE2 GLU C 75 -20.018 0.010 7.078 1.00 26.42 O ATOM 1575 H GLU C 75 -15.489 0.192 9.183 1.00 0.00 H ATOM 1576 N ARG C 76 -17.168 -0.985 12.516 1.00 13.59 N ATOM 1577 CA ARG C 76 -17.163 -2.304 13.147 1.00 14.12 C ATOM 1578 C ARG C 76 -18.395 -3.118 12.717 1.00 15.13 C ATOM 1579 O ARG C 76 -19.494 -2.542 12.594 1.00 16.79 O ATOM 1580 CB ARG C 76 -17.042 -2.169 14.672 1.00 15.04 C ATOM 1581 CG ARG C 76 -16.847 -3.479 15.392 1.00 14.82 C ATOM 1582 CD ARG C 76 -16.358 -3.238 16.824 1.00 16.43 C ATOM 1583 NE ARG C 76 -17.288 -2.408 17.578 1.00 16.42 N ATOM 1584 CZ ARG C 76 -18.274 -2.884 18.353 1.00 14.73 C ATOM 1585 NH1 ARG C 76 -18.466 -4.161 18.433 1.00 16.60 N ATOM 1586 NH2 ARG C 76 -19.043 -2.042 19.024 1.00 16.04 N ATOM 1587 HE ARG C 76 -17.180 -1.376 17.511 1.00 0.00 H ATOM 1588 HH12 ARG C 76 -19.229 -4.536 19.032 1.00 0.00 H ATOM 1589 HH11 ARG C 76 -17.857 -4.813 17.898 1.00 0.00 H ATOM 1590 HH22 ARG C 76 -19.809 -2.405 19.627 1.00 0.00 H ATOM 1591 HH21 ARG C 76 -18.881 -1.017 18.949 1.00 0.00 H ATOM 1592 H ARG C 76 -17.493 -0.169 13.073 1.00 0.00 H ATOM 1593 N ILE C 77 -18.231 -4.405 12.494 1.00 14.26 N ATOM 1594 CA ILE C 77 -19.302 -5.339 12.118 1.00 16.29 C ATOM 1595 C ILE C 77 -19.270 -6.527 13.083 1.00 18.80 C ATOM 1596 O ILE C 77 -18.327 -6.731 13.805 1.00 22.56 O ATOM 1597 CB ILE C 77 -19.173 -5.708 10.627 1.00 17.74 C ATOM 1598 CG1 ILE C 77 -17.848 -6.400 10.323 1.00 17.81 C ATOM 1599 CG2 ILE C 77 -19.347 -4.478 9.747 1.00 21.29 C ATOM 1600 CD1 ILE C 77 -17.757 -6.975 8.928 1.00 18.25 C ATOM 1601 H ILE C 77 -17.270 -4.791 12.591 1.00 0.00 H ATOM 1602 N ASN C 78 -20.303 -7.374 13.049 1.00 27.18 N ATOM 1603 CA ASN C 78 -20.307 -8.518 14.000 1.00 32.38 C ATOM 1604 H ASN C 78 -21.084 -7.237 12.376 1.00 0.00 H TER 1605 ASN C 78 ATOM 1606 N ASP D 21 -6.222 11.155 -24.731 1.00 64.08 N ATOM 1607 CA ASP D 21 -6.653 10.007 -23.868 1.00 57.20 C ATOM 1608 C ASP D 21 -5.995 10.171 -22.492 1.00 48.73 C ATOM 1609 O ASP D 21 -6.541 10.947 -21.677 1.00 48.68 O ATOM 1610 CB ASP D 21 -6.372 8.647 -24.525 1.00 56.91 C ATOM 1611 CG ASP D 21 -5.066 8.554 -25.301 1.00 63.43 C ATOM 1612 OD1 ASP D 21 -4.323 9.562 -25.348 1.00 66.52 O ATOM 1613 OD2 ASP D 21 -4.792 7.464 -25.846 1.00 68.09 O ATOM 1614 HN3 ASP D 21 -5.186 11.146 -24.825 1.00 0.00 H ATOM 1615 HN2 ASP D 21 -6.524 12.049 -24.293 1.00 0.00 H ATOM 1616 HN1 ASP D 21 -6.658 11.063 -25.671 1.00 0.00 H ATOM 1617 N ALA D 22 -4.857 9.511 -22.247 1.00 42.34 N ATOM 1618 CA ALA D 22 -4.192 9.503 -20.915 1.00 31.40 C ATOM 1619 C ALA D 22 -3.689 10.904 -20.550 1.00 25.85 C ATOM 1620 O ALA D 22 -2.986 11.596 -21.335 1.00 29.17 O ATOM 1621 CB ALA D 22 -3.063 8.509 -20.874 1.00 31.58 C ATOM 1622 H ALA D 22 -4.416 8.978 -23.024 1.00 0.00 H ATOM 1623 N THR D 23 -3.888 11.287 -19.299 1.00 20.81 N ATOM 1624 CA THR D 23 -3.465 12.576 -18.747 1.00 19.47 C ATOM 1625 C THR D 23 -1.945 12.619 -18.614 1.00 18.87 C ATOM 1626 O THR D 23 -1.330 13.686 -18.801 1.00 21.36 O ATOM 1627 CB THR D 23 -4.144 12.784 -17.395 1.00 22.24 C ATOM 1628 OG1 THR D 23 -5.558 12.783 -17.648 1.00 25.23 O ATOM 1629 CG2 THR D 23 -3.710 14.071 -16.755 1.00 21.39 C ATOM 1630 HG1 THR D 23 -6.045 12.916 -16.796 1.00 0.00 H ATOM 1631 H THR D 23 -4.379 10.626 -18.663 1.00 0.00 H ATOM 1632 N PHE D 24 -1.359 11.532 -18.126 1.00 16.53 N ATOM 1633 CA PHE D 24 0.094 11.465 -17.943 1.00 16.85 C ATOM 1634 C PHE D 24 0.668 10.328 -18.756 1.00 17.46 C ATOM 1635 O PHE D 24 -0.049 9.374 -19.134 1.00 19.77 O ATOM 1636 CB PHE D 24 0.472 11.210 -16.467 1.00 15.62 C ATOM 1637 CG PHE D 24 -0.202 12.138 -15.510 1.00 16.52 C ATOM 1638 CD1 PHE D 24 0.005 13.503 -15.600 1.00 18.31 C ATOM 1639 CD2 PHE D 24 -0.951 11.680 -14.429 1.00 17.33 C ATOM 1640 CE1 PHE D 24 -0.602 14.393 -14.722 1.00 20.40 C ATOM 1641 CE2 PHE D 24 -1.536 12.572 -13.555 1.00 19.06 C ATOM 1642 CZ PHE D 24 -1.392 13.922 -13.702 1.00 19.71 C ATOM 1643 H PHE D 24 -1.943 10.711 -17.868 1.00 0.00 H ATOM 1644 N GLY D 25 1.954 10.433 -18.993 1.00 17.80 N ATOM 1645 CA GLY D 25 2.760 9.428 -19.652 1.00 17.59 C ATOM 1646 C GLY D 25 3.858 8.916 -18.763 1.00 14.46 C ATOM 1647 O GLY D 25 4.239 9.583 -17.769 1.00 14.50 O ATOM 1648 H GLY D 25 2.430 11.304 -18.684 1.00 0.00 H ATOM 1649 N MET D 26 4.426 7.814 -19.167 1.00 15.62 N ATOM 1650 CA MET D 26 5.568 7.219 -18.477 1.00 14.46 C ATOM 1651 C MET D 26 6.654 8.269 -18.340 1.00 15.40 C ATOM 1652 O MET D 26 7.038 8.965 -19.310 1.00 16.75 O ATOM 1653 CB MET D 26 6.152 5.999 -19.187 1.00 16.10 C ATOM 1654 CG MET D 26 5.146 4.859 -19.254 1.00 17.10 C ATOM 1655 SD MET D 26 4.847 4.109 -17.625 1.00 20.13 S ATOM 1656 CE MET D 26 6.378 3.220 -17.469 1.00 23.83 C ATOM 1657 H MET D 26 4.051 7.340 -20.014 1.00 0.00 H ATOM 1658 N GLY D 27 7.228 8.376 -17.178 1.00 13.43 N ATOM 1659 CA GLY D 27 8.309 9.288 -16.885 1.00 14.13 C ATOM 1660 C GLY D 27 7.922 10.696 -16.514 1.00 14.65 C ATOM 1661 O GLY D 27 8.796 11.475 -16.082 1.00 16.09 O ATOM 1662 H GLY D 27 6.886 7.765 -16.409 1.00 0.00 H ATOM 1663 N ASP D 28 6.648 11.033 -16.561 1.00 12.32 N ATOM 1664 CA ASP D 28 6.216 12.373 -16.122 1.00 12.37 C ATOM 1665 C ASP D 28 6.509 12.495 -14.641 1.00 13.22 C ATOM 1666 O ASP D 28 6.291 11.504 -13.882 1.00 13.58 O ATOM 1667 CB ASP D 28 4.738 12.618 -16.361 1.00 12.88 C ATOM 1668 CG ASP D 28 4.309 12.970 -17.752 1.00 14.97 C ATOM 1669 OD1 ASP D 28 5.200 13.345 -18.526 1.00 19.40 O ATOM 1670 OD2 ASP D 28 3.116 12.861 -18.009 1.00 15.76 O ATOM 1671 H ASP D 28 5.945 10.351 -16.909 1.00 0.00 H ATOM 1672 N ARG D 29 6.895 13.660 -14.181 1.00 12.66 N ATOM 1673 CA ARG D 29 7.118 13.946 -12.756 1.00 11.69 C ATOM 1674 C ARG D 29 5.820 14.461 -12.220 1.00 12.11 C ATOM 1675 O ARG D 29 5.282 15.472 -12.759 1.00 12.67 O ATOM 1676 CB ARG D 29 8.246 14.935 -12.537 1.00 12.70 C ATOM 1677 CG ARG D 29 8.707 15.051 -11.097 1.00 14.30 C ATOM 1678 CD ARG D 29 9.784 16.115 -10.996 1.00 16.95 C ATOM 1679 NE ARG D 29 10.335 16.216 -9.650 1.00 18.25 N ATOM 1680 CZ ARG D 29 11.033 17.243 -9.236 1.00 21.12 C ATOM 1681 NH1 ARG D 29 11.101 18.348 -9.978 1.00 24.40 N ATOM 1682 NH2 ARG D 29 11.595 17.195 -8.057 1.00 22.51 N ATOM 1683 HE ARG D 29 10.165 15.434 -8.986 1.00 0.00 H ATOM 1684 HH12 ARG D 29 11.656 19.163 -9.647 1.00 0.00 H ATOM 1685 HH11 ARG D 29 10.599 18.395 -10.888 1.00 0.00 H ATOM 1686 HH22 ARG D 29 12.153 18.003 -7.714 1.00 0.00 H ATOM 1687 HH21 ARG D 29 11.484 16.349 -7.462 1.00 0.00 H ATOM 1688 H ARG D 29 7.053 14.428 -14.864 1.00 0.00 H ATOM 1689 N VAL D 30 5.292 13.840 -11.187 1.00 10.69 N ATOM 1690 CA VAL D 30 3.992 14.203 -10.640 1.00 10.93 C ATOM 1691 C VAL D 30 4.087 14.260 -9.117 1.00 9.73 C ATOM 1692 O VAL D 30 5.015 13.687 -8.520 1.00 10.48 O ATOM 1693 CB VAL D 30 2.894 13.235 -11.091 1.00 10.98 C ATOM 1694 CG1 VAL D 30 2.736 13.239 -12.588 1.00 11.66 C ATOM 1695 CG2 VAL D 30 3.142 11.831 -10.564 1.00 10.99 C ATOM 1696 H VAL D 30 5.822 13.062 -10.745 1.00 0.00 H ATOM 1697 N ARG D 31 3.099 14.887 -8.526 1.00 10.08 N ATOM 1698 CA ARG D 31 2.942 14.861 -7.063 1.00 10.60 C ATOM 1699 C ARG D 31 1.479 14.707 -6.710 1.00 10.89 C ATOM 1700 O ARG D 31 0.580 15.123 -7.454 1.00 11.34 O ATOM 1701 CB ARG D 31 3.510 16.117 -6.432 1.00 12.34 C ATOM 1702 CG ARG D 31 2.751 17.388 -6.734 1.00 13.14 C ATOM 1703 CD ARG D 31 3.517 18.568 -6.129 1.00 16.10 C ATOM 1704 NE ARG D 31 2.779 19.730 -6.481 1.00 21.24 N ATOM 1705 CZ ARG D 31 3.261 20.974 -6.444 1.00 24.60 C ATOM 1706 NH1 ARG D 31 2.444 21.962 -6.774 1.00 26.49 N ATOM 1707 NH2 ARG D 31 4.498 21.215 -6.047 1.00 27.05 N ATOM 1708 HE ARG D 31 1.794 19.602 -6.789 1.00 0.00 H ATOM 1709 HH12 ARG D 31 2.783 22.945 -6.757 1.00 0.00 H ATOM 1710 HH11 ARG D 31 1.463 21.755 -7.050 1.00 0.00 H ATOM 1711 HH22 ARG D 31 4.856 22.191 -6.025 1.00 0.00 H ATOM 1712 HH21 ARG D 31 5.114 20.429 -5.757 1.00 0.00 H ATOM 1713 H ARG D 31 2.412 15.413 -9.103 1.00 0.00 H ATOM 1714 N LYS D 32 1.230 14.234 -5.491 1.00 10.21 N ATOM 1715 CA LYS D 32 -0.112 14.335 -4.927 1.00 10.83 C ATOM 1716 C LYS D 32 -0.498 15.789 -4.700 1.00 11.37 C ATOM 1717 O LYS D 32 0.290 16.549 -4.160 1.00 12.83 O ATOM 1718 CB LYS D 32 -0.160 13.581 -3.620 1.00 12.11 C ATOM 1719 CG LYS D 32 -0.182 12.084 -3.717 1.00 13.22 C ATOM 1720 CD LYS D 32 -1.547 11.542 -3.916 1.00 15.04 C ATOM 1721 CE LYS D 32 -2.316 11.140 -2.673 1.00 13.01 C ATOM 1722 NZ LYS D 32 -2.619 12.261 -1.742 1.00 12.78 N ATOM 1723 HZ1 LYS D 32 -1.729 12.693 -1.420 1.00 0.00 H ATOM 1724 HZ2 LYS D 32 -3.193 12.974 -2.235 1.00 0.00 H ATOM 1725 HZ3 LYS D 32 -3.145 11.897 -0.922 1.00 0.00 H ATOM 1726 H LYS D 32 1.993 13.792 -4.940 1.00 0.00 H ATOM 1727 N LYS D 33 -1.754 16.089 -5.037 1.00 12.01 N ATOM 1728 CA LYS D 33 -2.298 17.445 -4.904 1.00 12.86 C ATOM 1729 C LYS D 33 -2.486 17.752 -3.456 1.00 13.89 C ATOM 1730 O LYS D 33 -2.405 18.979 -3.138 1.00 16.59 O ATOM 1731 CB LYS D 33 -3.597 17.571 -5.699 1.00 14.21 C ATOM 1732 CG LYS D 33 -3.482 17.569 -7.194 1.00 16.98 C ATOM 1733 CD LYS D 33 -4.903 17.687 -7.792 1.00 21.38 C ATOM 1734 CE LYS D 33 -4.966 17.544 -9.280 1.00 24.71 C ATOM 1735 NZ LYS D 33 -6.387 17.536 -9.694 1.00 26.23 N ATOM 1736 HZ1 LYS D 33 -6.875 16.737 -9.240 1.00 0.00 H ATOM 1737 HZ2 LYS D 33 -6.836 18.428 -9.404 1.00 0.00 H ATOM 1738 HZ3 LYS D 33 -6.445 17.437 -10.728 1.00 0.00 H ATOM 1739 H LYS D 33 -2.368 15.336 -5.407 1.00 0.00 H ATOM 1740 N SER D 34 -2.933 16.820 -2.652 1.00 11.88 N ATOM 1741 CA SER D 34 -3.390 17.162 -1.298 1.00 12.23 C ATOM 1742 C SER D 34 -3.261 15.957 -0.417 1.00 12.93 C ATOM 1743 O SER D 34 -3.005 14.834 -0.908 1.00 13.54 O ATOM 1744 CB SER D 34 -4.716 17.750 -1.375 1.00 16.08 C ATOM 1745 OG SER D 34 -5.667 16.778 -1.648 1.00 19.76 O ATOM 1746 HG SER D 34 -5.457 16.346 -2.514 1.00 0.00 H ATOM 1747 H SER D 34 -2.965 15.832 -2.974 1.00 0.00 H ATOM 1748 N GLY D 35 -3.452 16.098 0.874 1.00 12.24 N ATOM 1749 CA GLY D 35 -3.429 14.941 1.746 1.00 11.53 C ATOM 1750 C GLY D 35 -2.059 14.368 1.859 1.00 11.12 C ATOM 1751 O GLY D 35 -1.059 15.093 1.857 1.00 12.93 O ATOM 1752 H GLY D 35 -3.620 17.044 1.272 1.00 0.00 H ATOM 1753 N ALA D 36 -1.957 13.056 1.890 1.00 11.11 N ATOM 1754 CA ALA D 36 -0.661 12.414 2.029 1.00 10.89 C ATOM 1755 C ALA D 36 0.210 12.798 0.852 1.00 10.68 C ATOM 1756 O ALA D 36 -0.234 12.782 -0.329 1.00 12.44 O ATOM 1757 CB ALA D 36 -0.858 10.922 2.087 1.00 11.84 C ATOM 1758 H ALA D 36 -2.814 12.472 1.814 1.00 0.00 H ATOM 1759 N ALA D 37 1.445 13.108 1.100 1.00 9.83 N ATOM 1760 CA ALA D 37 2.329 13.570 0.045 1.00 10.02 C ATOM 1761 C ALA D 37 2.950 12.398 -0.687 1.00 9.96 C ATOM 1762 O ALA D 37 3.197 11.307 -0.194 1.00 11.33 O ATOM 1763 CB ALA D 37 3.435 14.417 0.594 1.00 10.94 C ATOM 1764 H ALA D 37 1.808 13.024 2.071 1.00 0.00 H ATOM 1765 N TRP D 38 3.224 12.604 -1.974 1.00 9.85 N ATOM 1766 CA TRP D 38 4.013 11.670 -2.806 1.00 9.35 C ATOM 1767 C TRP D 38 4.512 12.395 -4.016 1.00 9.78 C ATOM 1768 O TRP D 38 3.800 13.258 -4.519 1.00 10.87 O ATOM 1769 CB TRP D 38 3.212 10.485 -3.305 1.00 9.20 C ATOM 1770 CG TRP D 38 4.052 9.351 -3.774 1.00 8.94 C ATOM 1771 CD1 TRP D 38 4.388 8.984 -5.048 1.00 10.38 C ATOM 1772 CD2 TRP D 38 4.711 8.429 -2.922 1.00 8.32 C ATOM 1773 NE1 TRP D 38 5.164 7.848 -5.030 1.00 9.74 N ATOM 1774 CE2 TRP D 38 5.313 7.459 -3.747 1.00 8.80 C ATOM 1775 CE3 TRP D 38 4.929 8.365 -1.546 1.00 9.31 C ATOM 1776 CZ2 TRP D 38 6.043 6.410 -3.240 1.00 9.84 C ATOM 1777 CZ3 TRP D 38 5.657 7.317 -1.063 1.00 9.84 C ATOM 1778 CH2 TRP D 38 6.238 6.394 -1.909 1.00 10.25 C ATOM 1779 HE1 TRP D 38 5.566 7.371 -5.862 1.00 0.00 H ATOM 1780 H TRP D 38 2.862 13.471 -2.419 1.00 0.00 H ATOM 1781 N GLN D 39 5.714 12.121 -4.444 1.00 10.13 N ATOM 1782 CA GLN D 39 6.254 12.838 -5.616 1.00 9.83 C ATOM 1783 C GLN D 39 7.260 11.942 -6.299 1.00 10.75 C ATOM 1784 O GLN D 39 8.116 11.333 -5.617 1.00 11.12 O ATOM 1785 CB GLN D 39 6.900 14.118 -5.115 1.00 11.27 C ATOM 1786 CG GLN D 39 7.404 15.027 -6.209 1.00 12.13 C ATOM 1787 CD GLN D 39 7.646 16.409 -5.701 1.00 13.58 C ATOM 1788 OE1 GLN D 39 6.738 17.095 -5.236 1.00 14.48 O ATOM 1789 NE2 GLN D 39 8.874 16.842 -5.814 1.00 15.87 N ATOM 1790 HE22 GLN D 39 9.609 16.224 -6.214 1.00 0.00 H ATOM 1791 HE21 GLN D 39 9.117 17.805 -5.504 1.00 0.00 H ATOM 1792 H GLN D 39 6.289 11.401 -3.962 1.00 0.00 H ATOM 1793 N GLY D 40 7.203 11.883 -7.610 1.00 10.03 N ATOM 1794 CA GLY D 40 8.168 11.133 -8.384 1.00 9.97 C ATOM 1795 C GLY D 40 7.659 10.890 -9.774 1.00 11.05 C ATOM 1796 O GLY D 40 6.901 11.703 -10.300 1.00 12.29 O ATOM 1797 H GLY D 40 6.442 12.390 -8.106 1.00 0.00 H ATOM 1798 N GLN D 41 8.066 9.810 -10.374 1.00 10.71 N ATOM 1799 CA GLN D 41 7.841 9.581 -11.805 1.00 10.91 C ATOM 1800 C GLN D 41 6.724 8.583 -11.997 1.00 10.52 C ATOM 1801 O GLN D 41 6.613 7.553 -11.299 1.00 10.27 O ATOM 1802 CB GLN D 41 9.092 9.088 -12.505 1.00 14.75 C ATOM 1803 CG GLN D 41 10.049 10.266 -12.701 1.00 19.61 C ATOM 1804 CD GLN D 41 11.206 9.844 -13.568 1.00 28.28 C ATOM 1805 OE1 GLN D 41 11.071 9.632 -14.774 1.00 35.69 O ATOM 1806 NE2 GLN D 41 12.313 9.605 -12.907 1.00 28.19 N ATOM 1807 HE22 GLN D 41 12.364 9.806 -11.888 1.00 0.00 H ATOM 1808 HE21 GLN D 41 13.140 9.215 -13.402 1.00 0.00 H ATOM 1809 H GLN D 41 8.567 9.086 -9.821 1.00 0.00 H ATOM 1810 N ILE D 42 5.951 8.817 -13.035 1.00 10.15 N ATOM 1811 CA ILE D 42 4.954 7.837 -13.495 1.00 9.76 C ATOM 1812 C ILE D 42 5.691 6.608 -14.014 1.00 10.44 C ATOM 1813 O ILE D 42 6.569 6.745 -14.904 1.00 10.79 O ATOM 1814 CB ILE D 42 4.075 8.411 -14.615 1.00 10.78 C ATOM 1815 CG1 ILE D 42 3.285 9.629 -14.154 1.00 11.91 C ATOM 1816 CG2 ILE D 42 3.189 7.359 -15.254 1.00 11.84 C ATOM 1817 CD1 ILE D 42 2.158 9.316 -13.269 1.00 12.61 C ATOM 1818 H ILE D 42 6.047 9.719 -13.544 1.00 0.00 H ATOM 1819 N VAL D 43 5.391 5.424 -13.464 1.00 9.52 N ATOM 1820 CA VAL D 43 5.997 4.141 -13.847 1.00 9.55 C ATOM 1821 C VAL D 43 4.942 3.115 -14.214 1.00 9.90 C ATOM 1822 O VAL D 43 5.278 1.971 -14.507 1.00 10.89 O ATOM 1823 CB VAL D 43 6.900 3.606 -12.726 1.00 10.05 C ATOM 1824 CG1 VAL D 43 8.097 4.533 -12.535 1.00 10.40 C ATOM 1825 CG2 VAL D 43 6.140 3.392 -11.456 1.00 9.41 C ATOM 1826 H VAL D 43 4.676 5.412 -12.709 1.00 0.00 H ATOM 1827 N GLY D 44 3.662 3.472 -14.251 1.00 9.88 N ATOM 1828 CA GLY D 44 2.631 2.535 -14.707 1.00 10.88 C ATOM 1829 C GLY D 44 1.266 3.125 -14.540 1.00 10.17 C ATOM 1830 O GLY D 44 1.101 4.310 -14.311 1.00 10.07 O ATOM 1831 H GLY D 44 3.388 4.430 -13.952 1.00 0.00 H ATOM 1832 N TRP D 45 0.288 2.261 -14.736 1.00 11.20 N ATOM 1833 CA TRP D 45 -1.108 2.663 -14.891 1.00 11.88 C ATOM 1834 C TRP D 45 -2.016 1.551 -14.476 1.00 11.65 C ATOM 1835 O TRP D 45 -1.616 0.374 -14.458 1.00 12.35 O ATOM 1836 CB TRP D 45 -1.359 3.136 -16.293 1.00 15.03 C ATOM 1837 CG TRP D 45 -2.727 3.061 -16.956 1.00 19.14 C ATOM 1838 CD1 TRP D 45 -3.540 4.166 -17.061 1.00 22.10 C ATOM 1839 CD2 TRP D 45 -3.501 1.966 -17.459 1.00 20.50 C ATOM 1840 NE1 TRP D 45 -4.770 3.825 -17.551 1.00 23.79 N ATOM 1841 CE2 TRP D 45 -4.780 2.486 -17.790 1.00 20.88 C ATOM 1842 CE3 TRP D 45 -3.263 0.613 -17.620 1.00 22.31 C ATOM 1843 CZ2 TRP D 45 -5.750 1.723 -18.420 1.00 20.95 C ATOM 1844 CZ3 TRP D 45 -4.277 -0.172 -18.135 1.00 23.48 C ATOM 1845 CH2 TRP D 45 -5.488 0.383 -18.542 1.00 23.72 C ATOM 1846 HE1 TRP D 45 -5.563 4.478 -17.713 1.00 0.00 H ATOM 1847 H TRP D 45 0.521 1.249 -14.782 1.00 0.00 H ATOM 1848 N TYR D 46 -3.216 1.896 -14.053 1.00 11.13 N ATOM 1849 CA TYR D 46 -4.230 0.892 -13.742 1.00 10.54 C ATOM 1850 C TYR D 46 -5.603 1.489 -13.981 1.00 11.05 C ATOM 1851 O TYR D 46 -5.772 2.693 -14.046 1.00 11.36 O ATOM 1852 CB TYR D 46 -4.066 0.344 -12.331 1.00 10.72 C ATOM 1853 CG TYR D 46 -4.406 1.274 -11.208 1.00 10.89 C ATOM 1854 CD1 TYR D 46 -3.580 2.343 -10.862 1.00 11.01 C ATOM 1855 CD2 TYR D 46 -5.581 1.164 -10.454 1.00 11.59 C ATOM 1856 CE1 TYR D 46 -3.917 3.229 -9.894 1.00 11.63 C ATOM 1857 CE2 TYR D 46 -5.891 2.011 -9.423 1.00 12.48 C ATOM 1858 CZ TYR D 46 -5.049 3.075 -9.143 1.00 11.70 C ATOM 1859 OH TYR D 46 -5.329 3.934 -8.112 1.00 13.81 O ATOM 1860 HH TYR D 46 -6.206 4.365 -8.272 1.00 0.00 H ATOM 1861 H TYR D 46 -3.445 2.904 -13.938 1.00 0.00 H ATOM 1862 N CYS D 47 -6.587 0.579 -14.043 1.00 11.70 N ATOM 1863 CA CYS D 47 -7.958 0.934 -14.429 1.00 11.88 C ATOM 1864 C CYS D 47 -8.890 -0.015 -13.717 1.00 11.24 C ATOM 1865 O CYS D 47 -8.870 -1.224 -13.970 1.00 12.68 O ATOM 1866 CB CYS D 47 -8.071 0.837 -15.949 1.00 12.93 C ATOM 1867 SG CYS D 47 -9.767 0.980 -16.548 1.00 15.54 S ATOM 1868 H CYS D 47 -6.371 -0.411 -13.810 1.00 0.00 H ATOM 1869 N THR D 48 -9.712 0.552 -12.852 1.00 10.33 N ATOM 1870 CA THR D 48 -10.787 -0.146 -12.149 1.00 10.72 C ATOM 1871 C THR D 48 -12.070 0.641 -12.278 1.00 10.11 C ATOM 1872 O THR D 48 -12.052 1.777 -12.684 1.00 11.39 O ATOM 1873 CB THR D 48 -10.511 -0.399 -10.680 1.00 10.95 C ATOM 1874 OG1 THR D 48 -10.530 0.858 -10.042 1.00 11.19 O ATOM 1875 CG2 THR D 48 -9.202 -1.123 -10.449 1.00 12.39 C ATOM 1876 HG1 THR D 48 -10.353 0.739 -9.075 1.00 0.00 H ATOM 1877 H THR D 48 -9.585 1.566 -12.658 1.00 0.00 H ATOM 1878 N ASN D 49 -13.181 0.034 -11.907 1.00 10.50 N ATOM 1879 CA ASN D 49 -14.425 0.806 -11.931 1.00 11.41 C ATOM 1880 C ASN D 49 -14.361 1.998 -10.986 1.00 10.99 C ATOM 1881 O ASN D 49 -14.886 3.066 -11.300 1.00 11.17 O ATOM 1882 CB ASN D 49 -15.645 -0.045 -11.599 1.00 12.03 C ATOM 1883 CG ASN D 49 -16.148 -0.852 -12.771 1.00 14.72 C ATOM 1884 OD1 ASN D 49 -17.249 -0.608 -13.292 1.00 16.68 O ATOM 1885 ND2 ASN D 49 -15.349 -1.725 -13.284 1.00 17.24 N ATOM 1886 HD22 ASN D 49 -14.431 -1.917 -12.835 1.00 0.00 H ATOM 1887 HD21 ASN D 49 -15.623 -2.237 -14.147 1.00 0.00 H ATOM 1888 H ASN D 49 -13.174 -0.962 -11.607 1.00 0.00 H ATOM 1889 N LEU D 50 -13.743 1.856 -9.820 1.00 11.50 N ATOM 1890 CA LEU D 50 -13.634 2.953 -8.868 1.00 12.09 C ATOM 1891 C LEU D 50 -12.637 3.981 -9.356 1.00 11.58 C ATOM 1892 O LEU D 50 -12.829 5.163 -9.111 1.00 13.17 O ATOM 1893 CB LEU D 50 -13.160 2.400 -7.532 1.00 16.63 C ATOM 1894 CG LEU D 50 -12.888 3.378 -6.424 1.00 20.29 C ATOM 1895 CD1 LEU D 50 -14.225 3.967 -6.007 1.00 20.81 C ATOM 1896 CD2 LEU D 50 -12.241 2.645 -5.257 1.00 21.64 C ATOM 1897 H LEU D 50 -13.325 0.935 -9.579 1.00 0.00 H ATOM 1898 N THR D 51 -11.575 3.552 -10.043 1.00 11.48 N ATOM 1899 CA THR D 51 -10.499 4.424 -10.528 1.00 11.24 C ATOM 1900 C THR D 51 -10.259 4.097 -11.980 1.00 11.41 C ATOM 1901 O THR D 51 -9.341 3.333 -12.293 1.00 11.43 O ATOM 1902 CB THR D 51 -9.246 4.226 -9.687 1.00 12.61 C ATOM 1903 OG1 THR D 51 -9.577 4.469 -8.308 1.00 14.93 O ATOM 1904 CG2 THR D 51 -8.125 5.115 -10.156 1.00 13.00 C ATOM 1905 HG1 THR D 51 -8.770 4.343 -7.749 1.00 0.00 H ATOM 1906 H THR D 51 -11.506 2.535 -10.247 1.00 0.00 H ATOM 1907 N PRO D 52 -11.053 4.622 -12.894 1.00 12.03 N ATOM 1908 CA PRO D 52 -10.893 4.257 -14.293 1.00 11.92 C ATOM 1909 C PRO D 52 -9.628 4.772 -14.946 1.00 12.98 C ATOM 1910 O PRO D 52 -9.219 4.265 -16.001 1.00 14.40 O ATOM 1911 CB PRO D 52 -12.152 4.814 -14.962 1.00 13.79 C ATOM 1912 CG PRO D 52 -12.572 5.869 -14.060 1.00 14.41 C ATOM 1913 CD PRO D 52 -12.257 5.427 -12.649 1.00 13.28 C ATOM 1914 N GLU D 53 -8.963 5.741 -14.331 1.00 11.93 N ATOM 1915 CA GLU D 53 -7.654 6.226 -14.801 1.00 11.35 C ATOM 1916 C GLU D 53 -6.781 6.425 -13.578 1.00 11.59 C ATOM 1917 O GLU D 53 -6.951 7.396 -12.842 1.00 13.05 O ATOM 1918 CB GLU D 53 -7.782 7.529 -15.592 1.00 13.53 C ATOM 1919 CG GLU D 53 -6.482 8.016 -16.174 1.00 14.07 C ATOM 1920 CD GLU D 53 -6.556 9.291 -16.954 1.00 17.58 C ATOM 1921 OE1 GLU D 53 -7.693 9.803 -17.228 1.00 19.31 O ATOM 1922 OE2 GLU D 53 -5.508 9.814 -17.304 1.00 16.18 O ATOM 1923 H GLU D 53 -9.382 6.175 -13.484 1.00 0.00 H ATOM 1924 N GLY D 54 -5.914 5.460 -13.348 1.00 11.31 N ATOM 1925 CA GLY D 54 -4.998 5.483 -12.184 1.00 11.07 C ATOM 1926 C GLY D 54 -3.568 5.369 -12.666 1.00 9.93 C ATOM 1927 O GLY D 54 -3.293 4.806 -13.728 1.00 10.48 O ATOM 1928 H GLY D 54 -5.871 4.655 -14.005 1.00 0.00 H ATOM 1929 N TYR D 55 -2.681 5.833 -11.814 1.00 9.36 N ATOM 1930 CA TYR D 55 -1.246 5.823 -12.134 1.00 9.85 C ATOM 1931 C TYR D 55 -0.447 5.234 -10.991 1.00 9.81 C ATOM 1932 O TYR D 55 -0.744 5.437 -9.835 1.00 10.00 O ATOM 1933 CB TYR D 55 -0.720 7.208 -12.495 1.00 10.46 C ATOM 1934 CG TYR D 55 -1.349 7.713 -13.772 1.00 11.11 C ATOM 1935 CD1 TYR D 55 -0.791 7.374 -14.971 1.00 12.28 C ATOM 1936 CD2 TYR D 55 -2.509 8.449 -13.762 1.00 12.34 C ATOM 1937 CE1 TYR D 55 -1.378 7.773 -16.165 1.00 13.13 C ATOM 1938 CE2 TYR D 55 -3.098 8.880 -14.955 1.00 11.85 C ATOM 1939 CZ TYR D 55 -2.509 8.552 -16.125 1.00 14.19 C ATOM 1940 OH TYR D 55 -3.081 8.940 -17.334 1.00 16.29 O ATOM 1941 HH TYR D 55 -3.988 8.551 -17.408 1.00 0.00 H ATOM 1942 H TYR D 55 -2.999 6.213 -10.900 1.00 0.00 H ATOM 1943 N ALA D 56 0.621 4.541 -11.352 1.00 9.68 N ATOM 1944 CA ALA D 56 1.671 4.128 -10.421 1.00 9.45 C ATOM 1945 C ALA D 56 2.775 5.175 -10.457 1.00 9.63 C ATOM 1946 O ALA D 56 3.221 5.531 -11.552 1.00 10.18 O ATOM 1947 CB ALA D 56 2.218 2.779 -10.789 1.00 10.00 C ATOM 1948 H ALA D 56 0.719 4.275 -12.353 1.00 0.00 H ATOM 1949 N VAL D 57 3.229 5.607 -9.302 1.00 8.92 N ATOM 1950 CA VAL D 57 4.254 6.657 -9.176 1.00 8.54 C ATOM 1951 C VAL D 57 5.355 6.120 -8.288 1.00 9.01 C ATOM 1952 O VAL D 57 5.122 5.778 -7.107 1.00 9.41 O ATOM 1953 CB VAL D 57 3.654 7.911 -8.571 1.00 9.79 C ATOM 1954 CG1 VAL D 57 4.671 9.051 -8.543 1.00 9.92 C ATOM 1955 CG2 VAL D 57 2.371 8.383 -9.274 1.00 10.32 C ATOM 1956 H VAL D 57 2.845 5.186 -8.432 1.00 0.00 H ATOM 1957 N GLU D 58 6.568 6.119 -8.819 1.00 8.90 N ATOM 1958 CA GLU D 58 7.743 5.730 -8.024 1.00 9.62 C ATOM 1959 C GLU D 58 8.279 6.952 -7.312 1.00 9.41 C ATOM 1960 O GLU D 58 8.528 7.980 -7.964 1.00 10.63 O ATOM 1961 CB GLU D 58 8.805 5.126 -8.916 1.00 10.18 C ATOM 1962 CG GLU D 58 10.013 4.629 -8.125 1.00 10.49 C ATOM 1963 CD GLU D 58 11.081 3.981 -8.948 1.00 11.81 C ATOM 1964 OE1 GLU D 58 11.052 4.075 -10.191 1.00 13.18 O ATOM 1965 OE2 GLU D 58 12.046 3.415 -8.369 1.00 13.80 O ATOM 1966 H GLU D 58 6.692 6.397 -9.813 1.00 0.00 H ATOM 1967 N SER D 59 8.456 6.888 -6.025 1.00 9.27 N ATOM 1968 CA SER D 59 8.996 8.035 -5.262 1.00 9.45 C ATOM 1969 C SER D 59 10.384 8.424 -5.788 1.00 10.29 C ATOM 1970 O SER D 59 11.245 7.549 -5.980 1.00 11.69 O ATOM 1971 CB SER D 59 9.096 7.668 -3.827 1.00 10.24 C ATOM 1972 OG SER D 59 9.794 8.678 -3.101 1.00 10.88 O ATOM 1973 HG SER D 59 9.307 9.536 -3.181 1.00 0.00 H ATOM 1974 H SER D 59 8.213 6.011 -5.521 1.00 0.00 H ATOM 1975 N GLU D 60 10.613 9.700 -5.923 1.00 10.97 N ATOM 1976 CA GLU D 60 11.963 10.218 -6.239 1.00 11.52 C ATOM 1977 C GLU D 60 12.791 10.300 -4.998 1.00 12.60 C ATOM 1978 O GLU D 60 14.031 10.431 -5.165 1.00 15.88 O ATOM 1979 CB GLU D 60 11.841 11.554 -6.944 1.00 12.98 C ATOM 1980 CG GLU D 60 11.313 12.698 -6.148 1.00 13.74 C ATOM 1981 CD GLU D 60 10.930 13.937 -6.932 1.00 15.78 C ATOM 1982 OE1 GLU D 60 10.634 13.826 -8.148 1.00 17.76 O ATOM 1983 OE2 GLU D 60 10.979 15.006 -6.289 1.00 17.66 O ATOM 1984 H GLU D 60 9.827 10.371 -5.806 1.00 0.00 H ATOM 1985 N ALA D 61 12.226 10.233 -3.823 1.00 10.98 N ATOM 1986 CA ALA D 61 12.966 10.234 -2.550 1.00 11.95 C ATOM 1987 C ALA D 61 13.311 8.837 -2.084 1.00 12.41 C ATOM 1988 O ALA D 61 14.362 8.633 -1.442 1.00 12.70 O ATOM 1989 CB ALA D 61 12.183 10.895 -1.484 1.00 11.32 C ATOM 1990 H ALA D 61 11.188 10.175 -3.784 1.00 0.00 H ATOM 1991 N HIS D 62 12.493 7.865 -2.443 1.00 10.79 N ATOM 1992 CA HIS D 62 12.559 6.481 -1.941 1.00 10.42 C ATOM 1993 C HIS D 62 12.557 5.559 -3.151 1.00 10.71 C ATOM 1994 O HIS D 62 11.530 4.960 -3.484 1.00 10.67 O ATOM 1995 CB HIS D 62 11.392 6.163 -1.006 1.00 10.59 C ATOM 1996 CG HIS D 62 11.225 7.037 0.173 1.00 10.42 C ATOM 1997 ND1 HIS D 62 12.231 7.365 1.029 1.00 12.48 N ATOM 1998 CD2 HIS D 62 10.131 7.679 0.640 1.00 12.29 C ATOM 1999 CE1 HIS D 62 11.716 8.132 2.019 1.00 11.53 C ATOM 2000 NE2 HIS D 62 10.453 8.339 1.800 1.00 12.60 N ATOM 2001 H HIS D 62 11.747 8.093 -3.131 1.00 0.00 H ATOM 2002 N PRO D 63 13.693 5.424 -3.857 1.00 11.02 N ATOM 2003 CA PRO D 63 13.741 4.595 -5.040 1.00 10.95 C ATOM 2004 C PRO D 63 13.196 3.204 -4.775 1.00 10.25 C ATOM 2005 O PRO D 63 13.469 2.538 -3.768 1.00 10.80 O ATOM 2006 CB PRO D 63 15.225 4.514 -5.390 1.00 13.88 C ATOM 2007 CG PRO D 63 15.789 5.725 -4.797 1.00 15.39 C ATOM 2008 CD PRO D 63 14.975 6.059 -3.567 1.00 12.82 C ATOM 2009 N GLY D 64 12.385 2.702 -5.720 1.00 9.97 N ATOM 2010 CA GLY D 64 11.816 1.372 -5.678 1.00 10.38 C ATOM 2011 C GLY D 64 10.456 1.347 -5.041 1.00 9.87 C ATOM 2012 O GLY D 64 9.740 0.361 -5.225 1.00 11.61 O ATOM 2013 H GLY D 64 12.151 3.307 -6.533 1.00 0.00 H ATOM 2014 N SER D 65 10.120 2.358 -4.251 1.00 9.92 N ATOM 2015 CA SER D 65 8.786 2.385 -3.618 1.00 9.01 C ATOM 2016 C SER D 65 7.817 3.047 -4.538 1.00 9.68 C ATOM 2017 O SER D 65 8.068 4.145 -5.031 1.00 10.03 O ATOM 2018 CB SER D 65 8.822 3.089 -2.290 1.00 10.20 C ATOM 2019 OG SER D 65 9.431 2.163 -1.331 1.00 12.64 O ATOM 2020 HG SER D 65 8.884 1.339 -1.276 1.00 0.00 H ATOM 2021 H SER D 65 10.795 3.130 -4.078 1.00 0.00 H ATOM 2022 N VAL D 66 6.711 2.381 -4.734 1.00 9.62 N ATOM 2023 CA VAL D 66 5.667 2.776 -5.692 1.00 10.11 C ATOM 2024 C VAL D 66 4.346 2.869 -5.005 1.00 10.65 C ATOM 2025 O VAL D 66 4.025 1.960 -4.210 1.00 11.55 O ATOM 2026 CB VAL D 66 5.584 1.811 -6.883 1.00 9.69 C ATOM 2027 CG1 VAL D 66 4.505 2.182 -7.868 1.00 10.61 C ATOM 2028 CG2 VAL D 66 6.916 1.709 -7.574 1.00 11.20 C ATOM 2029 H VAL D 66 6.559 1.516 -4.177 1.00 0.00 H ATOM 2030 N GLN D 67 3.593 3.917 -5.258 1.00 9.62 N ATOM 2031 CA GLN D 67 2.207 4.018 -4.784 1.00 11.06 C ATOM 2032 C GLN D 67 1.343 4.280 -5.984 1.00 10.25 C ATOM 2033 O GLN D 67 1.782 4.811 -6.999 1.00 11.11 O ATOM 2034 CB GLN D 67 2.069 5.080 -3.709 1.00 12.80 C ATOM 2035 CG GLN D 67 2.656 4.718 -2.362 1.00 22.25 C ATOM 2036 CD GLN D 67 1.744 4.563 -1.169 1.00 34.97 C ATOM 2037 OE1 GLN D 67 0.765 3.812 -1.200 1.00 49.45 O ATOM 2038 NE2 GLN D 67 2.138 5.186 -0.062 1.00 47.06 N ATOM 2039 HE22 GLN D 67 2.970 5.810 -0.084 1.00 0.00 H ATOM 2040 HE21 GLN D 67 1.614 5.049 0.826 1.00 0.00 H ATOM 2041 H GLN D 67 3.993 4.701 -5.813 1.00 0.00 H ATOM 2042 N ILE D 68 0.086 3.912 -5.883 1.00 10.21 N ATOM 2043 CA ILE D 68 -0.923 4.041 -6.960 1.00 10.25 C ATOM 2044 C ILE D 68 -2.018 5.005 -6.507 1.00 9.47 C ATOM 2045 O ILE D 68 -2.511 4.935 -5.340 1.00 11.12 O ATOM 2046 CB ILE D 68 -1.456 2.687 -7.384 1.00 11.62 C ATOM 2047 CG1 ILE D 68 -2.059 1.902 -6.236 1.00 14.10 C ATOM 2048 CG2 ILE D 68 -0.427 1.918 -8.137 1.00 14.14 C ATOM 2049 CD1 ILE D 68 -2.789 0.643 -6.691 1.00 16.62 C ATOM 2050 H ILE D 68 -0.224 3.499 -4.980 1.00 0.00 H ATOM 2051 N TYR D 69 -2.416 5.843 -7.430 1.00 9.35 N ATOM 2052 CA TYR D 69 -3.411 6.884 -7.156 1.00 10.01 C ATOM 2053 C TYR D 69 -4.300 7.143 -8.361 1.00 10.23 C ATOM 2054 O TYR D 69 -3.842 7.059 -9.497 1.00 10.17 O ATOM 2055 CB TYR D 69 -2.783 8.221 -6.773 1.00 10.66 C ATOM 2056 CG TYR D 69 -1.832 8.153 -5.594 1.00 11.19 C ATOM 2057 CD1 TYR D 69 -2.251 8.015 -4.309 1.00 12.47 C ATOM 2058 CD2 TYR D 69 -0.486 8.149 -5.849 1.00 11.66 C ATOM 2059 CE1 TYR D 69 -1.333 7.949 -3.266 1.00 13.31 C ATOM 2060 CE2 TYR D 69 0.446 8.100 -4.838 1.00 13.29 C ATOM 2061 CZ TYR D 69 0.012 7.997 -3.542 1.00 12.52 C ATOM 2062 OH TYR D 69 0.991 7.985 -2.524 1.00 15.68 O ATOM 2063 HH TYR D 69 0.548 7.907 -1.642 1.00 0.00 H ATOM 2064 H TYR D 69 -2.014 5.768 -8.386 1.00 0.00 H ATOM 2065 N PRO D 70 -5.535 7.612 -8.118 1.00 10.56 N ATOM 2066 CA PRO D 70 -6.364 8.109 -9.215 1.00 10.86 C ATOM 2067 C PRO D 70 -5.768 9.355 -9.824 1.00 11.22 C ATOM 2068 O PRO D 70 -5.136 10.148 -9.147 1.00 11.08 O ATOM 2069 CB PRO D 70 -7.694 8.444 -8.542 1.00 11.49 C ATOM 2070 CG PRO D 70 -7.674 7.693 -7.265 1.00 12.14 C ATOM 2071 CD PRO D 70 -6.217 7.669 -6.823 1.00 10.87 C ATOM 2072 N VAL D 71 -6.026 9.561 -11.081 1.00 10.76 N ATOM 2073 CA VAL D 71 -5.533 10.747 -11.801 1.00 12.45 C ATOM 2074 C VAL D 71 -5.962 12.018 -11.075 1.00 12.12 C ATOM 2075 O VAL D 71 -5.125 12.957 -11.032 1.00 14.24 O ATOM 2076 CB VAL D 71 -5.977 10.718 -13.276 1.00 13.58 C ATOM 2077 CG1 VAL D 71 -7.500 10.837 -13.435 1.00 14.48 C ATOM 2078 CG2 VAL D 71 -5.259 11.799 -14.069 1.00 15.68 C ATOM 2079 H VAL D 71 -6.601 8.864 -11.596 1.00 0.00 H ATOM 2080 N ALA D 72 -7.167 12.088 -10.541 1.00 12.69 N ATOM 2081 CA ALA D 72 -7.632 13.339 -9.904 1.00 13.48 C ATOM 2082 C ALA D 72 -6.763 13.717 -8.721 1.00 13.76 C ATOM 2083 O ALA D 72 -6.826 14.880 -8.265 1.00 14.96 O ATOM 2084 CB ALA D 72 -9.071 13.152 -9.479 1.00 16.10 C ATOM 2085 H ALA D 72 -7.793 11.258 -10.568 1.00 0.00 H ATOM 2086 N ALA D 73 -6.045 12.781 -8.136 1.00 12.24 N ATOM 2087 CA ALA D 73 -5.226 12.995 -6.956 1.00 12.01 C ATOM 2088 C ALA D 73 -3.856 13.580 -7.345 1.00 11.76 C ATOM 2089 O ALA D 73 -3.146 13.912 -6.387 1.00 11.78 O ATOM 2090 CB ALA D 73 -5.071 11.734 -6.162 1.00 11.82 C ATOM 2091 H ALA D 73 -6.066 11.825 -8.546 1.00 0.00 H ATOM 2092 N LEU D 74 -3.476 13.604 -8.607 1.00 11.56 N ATOM 2093 CA LEU D 74 -2.095 13.893 -9.032 1.00 11.61 C ATOM 2094 C LEU D 74 -2.061 15.126 -9.899 1.00 12.93 C ATOM 2095 O LEU D 74 -3.011 15.405 -10.633 1.00 13.92 O ATOM 2096 CB LEU D 74 -1.556 12.693 -9.811 1.00 12.43 C ATOM 2097 CG LEU D 74 -1.392 11.392 -9.016 1.00 11.49 C ATOM 2098 CD1 LEU D 74 -1.103 10.247 -9.969 1.00 12.47 C ATOM 2099 CD2 LEU D 74 -0.324 11.510 -7.974 1.00 12.22 C ATOM 2100 H LEU D 74 -4.187 13.409 -9.340 1.00 0.00 H ATOM 2101 N GLU D 75 -0.918 15.774 -9.870 1.00 11.66 N ATOM 2102 CA GLU D 75 -0.640 16.889 -10.782 1.00 13.30 C ATOM 2103 C GLU D 75 0.783 16.776 -11.265 1.00 13.58 C ATOM 2104 O GLU D 75 1.709 16.395 -10.542 1.00 12.49 O ATOM 2105 CB GLU D 75 -0.930 18.232 -10.150 1.00 15.68 C ATOM 2106 CG GLU D 75 -0.126 18.536 -8.960 1.00 15.69 C ATOM 2107 CD GLU D 75 -0.587 19.760 -8.161 1.00 25.92 C ATOM 2108 OE1 GLU D 75 -1.607 20.377 -8.557 1.00 26.97 O ATOM 2109 OE2 GLU D 75 -0.010 20.018 -7.078 1.00 26.42 O ATOM 2110 H GLU D 75 -0.192 15.489 -9.183 1.00 0.00 H ATOM 2111 N ARG D 76 0.985 17.168 -12.516 1.00 13.59 N ATOM 2112 CA ARG D 76 2.304 17.163 -13.147 1.00 14.12 C ATOM 2113 C ARG D 76 3.118 18.395 -12.717 1.00 15.13 C ATOM 2114 O ARG D 76 2.542 19.494 -12.594 1.00 16.79 O ATOM 2115 CB ARG D 76 2.169 17.042 -14.672 1.00 15.04 C ATOM 2116 CG ARG D 76 3.479 16.847 -15.392 1.00 14.82 C ATOM 2117 CD ARG D 76 3.238 16.358 -16.824 1.00 16.43 C ATOM 2118 NE ARG D 76 2.408 17.288 -17.578 1.00 16.42 N ATOM 2119 CZ ARG D 76 2.884 18.274 -18.353 1.00 14.73 C ATOM 2120 NH1 ARG D 76 4.161 18.466 -18.433 1.00 16.60 N ATOM 2121 NH2 ARG D 76 2.042 19.043 -19.024 1.00 16.04 N ATOM 2122 HE ARG D 76 1.376 17.180 -17.511 1.00 0.00 H ATOM 2123 HH12 ARG D 76 4.536 19.229 -19.032 1.00 0.00 H ATOM 2124 HH11 ARG D 76 4.813 17.857 -17.898 1.00 0.00 H ATOM 2125 HH22 ARG D 76 2.405 19.809 -19.627 1.00 0.00 H ATOM 2126 HH21 ARG D 76 1.017 18.881 -18.949 1.00 0.00 H ATOM 2127 H ARG D 76 0.169 17.493 -13.073 1.00 0.00 H ATOM 2128 N ILE D 77 4.405 18.231 -12.494 1.00 14.26 N ATOM 2129 CA ILE D 77 5.339 19.302 -12.118 1.00 16.29 C ATOM 2130 C ILE D 77 6.527 19.270 -13.083 1.00 18.80 C ATOM 2131 O ILE D 77 6.731 18.327 -13.805 1.00 22.56 O ATOM 2132 CB ILE D 77 5.708 19.173 -10.627 1.00 17.74 C ATOM 2133 CG1 ILE D 77 6.400 17.848 -10.323 1.00 17.81 C ATOM 2134 CG2 ILE D 77 4.478 19.347 -9.747 1.00 21.29 C ATOM 2135 CD1 ILE D 77 6.975 17.757 -8.928 1.00 18.25 C ATOM 2136 H ILE D 77 4.791 17.270 -12.591 1.00 0.00 H ATOM 2137 N ASN D 78 7.374 20.303 -13.049 1.00 27.18 N ATOM 2138 CA ASN D 78 8.518 20.307 -14.000 1.00 32.38 C ATOM 2139 H ASN D 78 7.237 21.084 -12.376 1.00 0.00 H TER 2140 ASN D 78 HETATM 2141 O HOH 1 8.688 -13.803 10.529 1.00 41.37 O HETATM 2142 O HOH 2 14.472 7.404 19.092 1.00 36.68 O HETATM 2143 O HOH 3 14.340 -7.255 16.481 1.00 40.87 O HETATM 2144 O HOH 4 7.978 0.277 0.012 1.00 24.50 O HETATM 2145 O HOH 5 19.673 6.537 4.731 1.00 28.16 O HETATM 2146 O HOH 6 2.886 12.908 11.669 1.00 15.87 O HETATM 2147 O HOH 7 -2.982 -9.665 15.820 1.00 26.42 O HETATM 2148 O HOH 8 9.875 -10.285 16.544 1.00 30.24 O HETATM 2149 O HOH 9 1.125 -9.539 7.558 1.00 16.04 O HETATM 2150 O HOH 10 6.229 11.340 11.775 1.00 26.13 O HETATM 2151 O HOH 11 19.293 9.825 12.523 1.00 38.99 O HETATM 2152 O HOH 12 3.456 -7.688 6.654 1.00 17.52 O HETATM 2153 O HOH 13 12.487 11.319 10.406 1.00 27.38 O HETATM 2154 O HOH 14 1.427 15.905 3.243 1.00 11.51 O HETATM 2155 O HOH 15 18.090 6.326 16.510 1.00 32.31 O HETATM 2156 O HOH 16 5.407 -4.730 3.787 1.00 40.21 O HETATM 2157 O HOH 17 4.261 14.630 8.864 1.00 26.06 O HETATM 2158 O HOH 18 6.906 -10.973 7.995 1.00 19.13 O HETATM 2159 O HOH 19 14.100 -3.895 3.705 1.00 14.33 O HETATM 2160 O HOH 20 20.949 -2.017 5.108 1.00 27.45 O HETATM 2161 O HOH 21 6.854 10.825 14.475 1.00 36.56 O HETATM 2162 O HOH 22 15.601 2.431 2.606 1.00 11.51 O HETATM 2163 O HOH 23 15.018 -6.284 3.758 1.00 42.08 O HETATM 2164 O HOH 24 15.533 -5.302 12.280 1.00 27.25 O HETATM 2165 O HOH 25 5.041 -7.459 18.090 1.00 36.00 O HETATM 2166 O HOH 26 7.031 13.596 7.494 1.00 29.62 O HETATM 2167 O HOH 27 5.609 8.931 16.013 1.00 19.87 O HETATM 2168 O HOH 28 8.859 15.541 6.996 1.00 31.35 O HETATM 2169 O HOH 29 10.263 12.762 10.173 1.00 32.82 O HETATM 2170 O HOH 30 6.716 3.462 21.630 1.00 35.76 O HETATM 2171 O HOH 31 15.933 7.306 15.882 1.00 26.44 O HETATM 2172 O HOH 32 6.602 14.999 -1.245 1.00 17.95 O HETATM 2173 O HOH 33 11.280 5.650 20.488 1.00 35.23 O HETATM 2174 O HOH 34 16.615 5.046 2.944 1.00 15.53 O HETATM 2175 O HOH 35 0.908 13.448 8.730 1.00 13.25 O HETATM 2176 O HOH 36 7.816 -9.763 12.182 1.00 15.48 O HETATM 2177 O HOH 37 -4.252 -14.866 14.686 1.00 44.26 O HETATM 2178 O HOH 38 8.525 10.852 9.682 1.00 18.63 O HETATM 2179 O HOH 39 16.300 -0.362 17.842 1.00 20.90 O HETATM 2180 O HOH 40 -0.135 6.357 3.229 1.00 21.42 O HETATM 2181 O HOH 41 19.470 9.869 4.904 1.00 38.22 O HETATM 2182 O HOH 42 15.551 -7.834 5.562 1.00 40.49 O HETATM 2183 O HOH 43 11.453 -4.491 -0.438 1.00 16.73 O HETATM 2184 O HOH 44 10.283 -9.556 10.690 1.00 15.98 O HETATM 2185 O HOH 45 17.693 -1.433 14.223 1.00 17.10 O HETATM 2186 O HOH 46 16.497 6.413 18.090 1.00 35.78 O HETATM 2187 O HOH 47 11.965 7.678 19.610 1.00 47.96 O HETATM 2188 O HOH 48 23.975 5.846 5.626 1.00 27.32 O HETATM 2189 O HOH 49 17.425 -3.690 12.942 1.00 41.57 O HETATM 2190 O HOH 50 -3.532 -15.975 10.554 1.00 36.94 O HETATM 2191 O HOH 51 22.456 7.909 15.610 1.00 41.43 O HETATM 2192 O HOH 52 6.302 16.808 0.631 1.00 35.49 O HETATM 2193 O HOH 53 8.330 17.726 2.469 1.00 29.86 O HETATM 2194 O HOH 54 17.072 9.796 15.256 1.00 45.66 O HETATM 2195 O HOH 55 16.517 -9.425 11.387 1.00 48.22 O HETATM 2196 O HOH 56 11.005 -8.978 6.331 1.00 34.22 O HETATM 2197 O HOH 57 14.757 -7.622 13.507 1.00 36.11 O HETATM 2198 O HOH 58 8.494 -2.783 -0.115 1.00 34.39 O HETATM 2199 O HOH 59 9.390 -11.159 14.138 1.00 22.08 O HETATM 2200 O HOH 60 1.415 16.051 7.494 1.00 16.48 O HETATM 2201 O HOH 61 13.960 -9.888 13.308 1.00 40.90 O HETATM 2202 O HOH 62 11.859 -11.030 12.440 1.00 23.98 O HETATM 2203 O HOH 63 9.781 -10.753 8.129 1.00 25.00 O HETATM 2204 O HOH 64 10.060 -7.628 3.965 1.00 45.34 O HETATM 2205 O HOH 65 13.803 -8.688 -10.529 1.00 41.37 O HETATM 2206 O HOH 66 -7.404 -14.472 -19.092 1.00 36.68 O HETATM 2207 O HOH 67 7.255 -14.340 -16.481 1.00 40.87 O HETATM 2208 O HOH 68 -0.277 -7.978 -0.012 1.00 24.50 O HETATM 2209 O HOH 69 -6.537 -19.673 -4.731 1.00 28.16 O HETATM 2210 O HOH 70 -12.908 -2.886 -11.669 1.00 15.87 O HETATM 2211 O HOH 71 9.665 2.982 -15.820 1.00 26.42 O HETATM 2212 O HOH 72 10.285 -9.875 -16.544 1.00 30.24 O HETATM 2213 O HOH 73 9.539 -1.125 -7.558 1.00 16.04 O HETATM 2214 O HOH 74 -11.340 -6.229 -11.775 1.00 26.13 O HETATM 2215 O HOH 75 -9.825 -19.293 -12.523 1.00 38.99 O HETATM 2216 O HOH 76 7.688 -3.456 -6.654 1.00 17.52 O HETATM 2217 O HOH 77 -11.319 -12.487 -10.406 1.00 27.38 O HETATM 2218 O HOH 78 -6.326 -18.090 -16.510 1.00 32.31 O HETATM 2219 O HOH 79 4.730 -5.407 -3.787 1.00 40.21 O HETATM 2220 O HOH 80 -14.630 -4.261 -8.864 1.00 26.06 O HETATM 2221 O HOH 81 10.973 -6.906 -7.995 1.00 19.13 O HETATM 2222 O HOH 82 3.895 -14.100 -3.705 1.00 14.33 O HETATM 2223 O HOH 83 2.017 -20.949 -5.108 1.00 27.45 O HETATM 2224 O HOH 84 -10.825 -6.854 -14.475 1.00 36.56 O HETATM 2225 O HOH 85 -2.431 -15.601 -2.606 1.00 11.51 O HETATM 2226 O HOH 86 6.284 -15.018 -3.758 1.00 42.08 O HETATM 2227 O HOH 87 5.302 -15.533 -12.280 1.00 27.25 O HETATM 2228 O HOH 88 7.459 -5.041 -18.090 1.00 36.00 O HETATM 2229 O HOH 89 -13.596 -7.031 -7.494 1.00 29.62 O HETATM 2230 O HOH 90 -8.931 -5.609 -16.013 1.00 19.87 O HETATM 2231 O HOH 91 -15.541 -8.859 -6.996 1.00 31.35 O HETATM 2232 O HOH 92 -12.762 -10.263 -10.173 1.00 32.82 O HETATM 2233 O HOH 93 -3.462 -6.716 -21.630 1.00 35.76 O HETATM 2234 O HOH 94 -7.306 -15.933 -15.882 1.00 26.44 O HETATM 2235 O HOH 95 -14.999 -6.602 1.245 1.00 17.95 O HETATM 2236 O HOH 96 -5.650 -11.280 -20.488 1.00 35.23 O HETATM 2237 O HOH 97 -5.046 -16.615 -2.944 1.00 15.53 O HETATM 2238 O HOH 98 -13.448 -0.908 -8.730 1.00 13.25 O HETATM 2239 O HOH 99 9.763 -7.816 -12.182 1.00 15.48 O HETATM 2240 O HOH 100 14.866 4.252 -14.686 1.00 44.26 O HETATM 2241 O HOH 101 -9.869 -19.470 -4.904 1.00 38.22 O HETATM 2242 O HOH 102 7.834 -15.551 -5.562 1.00 40.49 O HETATM 2243 O HOH 103 9.556 -10.283 -10.690 1.00 15.98 O HETATM 2244 O HOH 104 -6.413 -16.497 -18.090 1.00 35.78 O HETATM 2245 O HOH 105 -7.678 -11.965 -19.610 1.00 47.96 O HETATM 2246 O HOH 106 -5.846 -23.975 -5.626 1.00 27.32 O HETATM 2247 O HOH 107 3.690 -17.425 -12.942 1.00 41.57 O HETATM 2248 O HOH 108 15.975 3.532 -10.554 1.00 36.94 O HETATM 2249 O HOH 109 -7.909 -22.456 -15.610 1.00 41.43 O HETATM 2250 O HOH 110 -16.808 -6.302 -0.631 1.00 35.49 O HETATM 2251 O HOH 111 -9.796 -17.072 -15.256 1.00 45.66 O HETATM 2252 O HOH 112 9.425 -16.517 -11.387 1.00 48.22 O HETATM 2253 O HOH 113 8.978 -11.005 -6.331 1.00 34.22 O HETATM 2254 O HOH 114 7.622 -14.757 -13.507 1.00 36.11 O HETATM 2255 O HOH 115 2.783 -8.494 0.115 1.00 34.39 O HETATM 2256 O HOH 116 11.159 -9.390 -14.138 1.00 22.08 O HETATM 2257 O HOH 117 9.888 -13.960 -13.308 1.00 40.90 O HETATM 2258 O HOH 118 11.030 -11.859 -12.440 1.00 23.98 O HETATM 2259 O HOH 119 10.753 -9.781 -8.129 1.00 25.00 O HETATM 2260 O HOH 120 7.628 -10.060 -3.965 1.00 45.34 O HETATM 2261 O HOH 121 -8.688 13.803 10.529 1.00 41.37 O HETATM 2262 O HOH 122 -14.472 -7.404 19.092 1.00 36.68 O HETATM 2263 O HOH 123 -14.340 7.255 16.481 1.00 40.87 O HETATM 2264 O HOH 124 -7.978 -0.277 0.012 1.00 24.50 O HETATM 2265 O HOH 125 -19.673 -6.537 4.731 1.00 28.16 O HETATM 2266 O HOH 126 -2.886 -12.908 11.669 1.00 15.87 O HETATM 2267 O HOH 127 2.982 9.665 15.820 1.00 26.42 O HETATM 2268 O HOH 128 -9.875 10.285 16.544 1.00 30.24 O HETATM 2269 O HOH 129 -1.125 9.539 7.558 1.00 16.04 O HETATM 2270 O HOH 130 -6.229 -11.340 11.775 1.00 26.13 O HETATM 2271 O HOH 131 -19.293 -9.825 12.523 1.00 38.99 O HETATM 2272 O HOH 132 -3.456 7.688 6.654 1.00 17.52 O HETATM 2273 O HOH 133 -12.487 -11.319 10.406 1.00 27.38 O HETATM 2274 O HOH 134 -18.090 -6.326 16.510 1.00 32.31 O HETATM 2275 O HOH 135 -5.407 4.730 3.787 1.00 40.21 O HETATM 2276 O HOH 136 -4.261 -14.630 8.864 1.00 26.06 O HETATM 2277 O HOH 137 -6.906 10.973 7.995 1.00 19.13 O HETATM 2278 O HOH 138 -14.100 3.895 3.705 1.00 14.33 O HETATM 2279 O HOH 139 -20.949 2.017 5.108 1.00 27.45 O HETATM 2280 O HOH 140 -6.854 -10.825 14.475 1.00 36.56 O HETATM 2281 O HOH 141 -15.601 -2.431 2.606 1.00 11.51 O HETATM 2282 O HOH 142 -15.018 6.284 3.758 1.00 42.08 O HETATM 2283 O HOH 143 -15.533 5.302 12.280 1.00 27.25 O HETATM 2284 O HOH 144 -5.041 7.459 18.090 1.00 36.00 O HETATM 2285 O HOH 145 -7.031 -13.596 7.494 1.00 29.62 O HETATM 2286 O HOH 146 -5.609 -8.931 16.013 1.00 19.87 O HETATM 2287 O HOH 147 -8.859 -15.541 6.996 1.00 31.35 O HETATM 2288 O HOH 148 -10.263 -12.762 10.173 1.00 32.82 O HETATM 2289 O HOH 149 -6.716 -3.462 21.630 1.00 35.76 O HETATM 2290 O HOH 150 -15.933 -7.306 15.882 1.00 26.44 O HETATM 2291 O HOH 151 -6.602 -14.999 -1.245 1.00 17.95 O HETATM 2292 O HOH 152 -11.280 -5.650 20.488 1.00 35.23 O HETATM 2293 O HOH 153 -16.615 -5.046 2.944 1.00 15.53 O HETATM 2294 O HOH 154 -0.908 -13.448 8.730 1.00 13.25 O HETATM 2295 O HOH 155 -7.816 9.763 12.182 1.00 15.48 O HETATM 2296 O HOH 156 4.252 14.866 14.686 1.00 44.26 O HETATM 2297 O HOH 157 -19.470 -9.869 4.904 1.00 38.22 O HETATM 2298 O HOH 158 -15.551 7.834 5.562 1.00 40.49 O HETATM 2299 O HOH 159 -10.283 9.556 10.690 1.00 15.98 O HETATM 2300 O HOH 160 -16.497 -6.413 18.090 1.00 35.78 O HETATM 2301 O HOH 161 -11.965 -7.678 19.610 1.00 47.96 O HETATM 2302 O HOH 162 -23.975 -5.846 5.626 1.00 27.32 O HETATM 2303 O HOH 163 -17.425 3.690 12.942 1.00 41.57 O HETATM 2304 O HOH 164 3.532 15.975 10.554 1.00 36.94 O HETATM 2305 O HOH 165 -22.456 -7.909 15.610 1.00 41.43 O HETATM 2306 O HOH 166 -6.302 -16.808 0.631 1.00 35.49 O HETATM 2307 O HOH 167 -17.072 -9.796 15.256 1.00 45.66 O HETATM 2308 O HOH 168 -16.517 9.425 11.387 1.00 48.22 O HETATM 2309 O HOH 169 -11.005 8.978 6.331 1.00 34.22 O HETATM 2310 O HOH 170 -14.757 7.622 13.507 1.00 36.11 O HETATM 2311 O HOH 171 -8.494 2.783 -0.115 1.00 34.39 O HETATM 2312 O HOH 172 -9.390 11.159 14.138 1.00 22.08 O HETATM 2313 O HOH 173 -13.960 9.888 13.308 1.00 40.90 O HETATM 2314 O HOH 174 -11.859 11.030 12.440 1.00 23.98 O HETATM 2315 O HOH 175 -9.781 10.753 8.129 1.00 25.00 O HETATM 2316 O HOH 176 -10.060 7.628 3.965 1.00 45.34 O HETATM 2317 O HOH 177 -13.803 8.688 -10.529 1.00 41.37 O HETATM 2318 O HOH 178 7.404 14.472 -19.092 1.00 36.68 O HETATM 2319 O HOH 179 -7.255 14.340 -16.481 1.00 40.87 O HETATM 2320 O HOH 180 0.277 7.978 -0.012 1.00 24.50 O HETATM 2321 O HOH 181 6.537 19.673 -4.731 1.00 28.16 O HETATM 2322 O HOH 182 12.908 2.886 -11.669 1.00 15.87 O HETATM 2323 O HOH 183 -9.665 -2.982 -15.820 1.00 26.42 O HETATM 2324 O HOH 184 -10.285 9.875 -16.544 1.00 30.24 O HETATM 2325 O HOH 185 -9.539 1.125 -7.558 1.00 16.04 O HETATM 2326 O HOH 186 11.340 6.229 -11.775 1.00 26.13 O HETATM 2327 O HOH 187 9.825 19.293 -12.523 1.00 38.99 O HETATM 2328 O HOH 188 -7.688 3.456 -6.654 1.00 17.52 O HETATM 2329 O HOH 189 11.319 12.487 -10.406 1.00 27.38 O HETATM 2330 O HOH 190 6.326 18.090 -16.510 1.00 32.31 O HETATM 2331 O HOH 191 -4.730 5.407 -3.787 1.00 40.21 O HETATM 2332 O HOH 192 14.630 4.261 -8.864 1.00 26.06 O HETATM 2333 O HOH 193 -10.973 6.906 -7.995 1.00 19.13 O HETATM 2334 O HOH 194 -3.895 14.100 -3.705 1.00 14.33 O HETATM 2335 O HOH 195 -2.017 20.949 -5.108 1.00 27.45 O HETATM 2336 O HOH 196 10.825 6.854 -14.475 1.00 36.56 O HETATM 2337 O HOH 197 2.431 15.601 -2.606 1.00 11.51 O HETATM 2338 O HOH 198 -6.284 15.018 -3.758 1.00 42.08 O HETATM 2339 O HOH 199 -5.302 15.533 -12.280 1.00 27.25 O HETATM 2340 O HOH 200 -7.459 5.041 -18.090 1.00 36.00 O HETATM 2341 O HOH 201 13.596 7.031 -7.494 1.00 29.62 O HETATM 2342 O HOH 202 8.931 5.609 -16.013 1.00 19.87 O HETATM 2343 O HOH 203 15.541 8.859 -6.996 1.00 31.35 O HETATM 2344 O HOH 204 12.762 10.263 -10.173 1.00 32.82 O HETATM 2345 O HOH 205 3.462 6.716 -21.630 1.00 35.76 O HETATM 2346 O HOH 206 7.306 15.933 -15.882 1.00 26.44 O HETATM 2347 O HOH 207 14.999 6.602 1.245 1.00 17.95 O HETATM 2348 O HOH 208 5.650 11.280 -20.488 1.00 35.23 O HETATM 2349 O HOH 209 5.046 16.615 -2.944 1.00 15.53 O HETATM 2350 O HOH 210 13.448 0.908 -8.730 1.00 13.25 O HETATM 2351 O HOH 211 -9.763 7.816 -12.182 1.00 15.48 O HETATM 2352 O HOH 212 -14.866 -4.252 -14.686 1.00 44.26 O HETATM 2353 O HOH 213 9.869 19.470 -4.904 1.00 38.22 O HETATM 2354 O HOH 214 -7.834 15.551 -5.562 1.00 40.49 O HETATM 2355 O HOH 215 -9.556 10.283 -10.690 1.00 15.98 O HETATM 2356 O HOH 216 6.413 16.497 -18.090 1.00 35.78 O HETATM 2357 O HOH 217 7.678 11.965 -19.610 1.00 47.96 O HETATM 2358 O HOH 218 5.846 23.975 -5.626 1.00 27.32 O HETATM 2359 O HOH 219 -3.690 17.425 -12.942 1.00 41.57 O HETATM 2360 O HOH 220 -15.975 -3.532 -10.554 1.00 36.94 O HETATM 2361 O HOH 221 7.909 22.456 -15.610 1.00 41.43 O HETATM 2362 O HOH 222 16.808 6.302 -0.631 1.00 35.49 O HETATM 2363 O HOH 223 9.796 17.072 -15.256 1.00 45.66 O HETATM 2364 O HOH 224 -9.425 16.517 -11.387 1.00 48.22 O HETATM 2365 O HOH 225 -8.978 11.005 -6.331 1.00 34.22 O HETATM 2366 O HOH 226 -7.622 14.757 -13.507 1.00 36.11 O HETATM 2367 O HOH 227 -2.783 8.494 0.115 1.00 34.39 O HETATM 2368 O HOH 228 -11.159 9.390 -14.138 1.00 22.08 O HETATM 2369 O HOH 229 -9.888 13.960 -13.308 1.00 40.90 O HETATM 2370 O HOH 230 -11.030 11.859 -12.440 1.00 23.98 O HETATM 2371 O HOH 231 -10.753 9.781 -8.129 1.00 25.00 O HETATM 2372 O HOH 232 -7.628 10.060 -3.965 1.00 45.34 O HETATM 2373 C18 LBA A 233 3.892 -1.182 2.797 1.00 0.04 C HETATM 2374 O19 LBA A 233 3.047 -0.094 3.013 1.00 -0.38 O HETATM 2375 C20 LBA A 233 1.824 -0.335 3.700 1.00 0.08 C HETATM 2376 C21 LBA A 233 0.596 0.077 2.882 1.00 0.10 C HETATM 2377 C23 LBA A 233 -0.544 0.040 3.895 1.00 0.08 C HETATM 2378 O24 LBA A 233 -1.817 -0.174 3.260 1.00 -0.38 O HETATM 2379 C25 LBA A 233 -2.759 0.803 3.357 1.00 0.04 C HETATM 2380 H10 LBA A 233 -3.668 0.490 2.823 1.00 0.05 H HETATM 2381 H11 LBA A 233 -2.373 1.731 2.910 1.00 0.05 H HETATM 2382 H12 LBA A 233 -2.998 0.978 4.416 1.00 0.05 H HETATM 2383 H4 LBA A 233 -0.572 0.998 4.434 1.00 0.06 H HETATM 2384 H5 LBA A 233 -0.360 -0.777 4.608 1.00 0.06 H HETATM 2385 O22 LBA A 233 0.635 1.416 2.314 1.00 -0.39 O HETATM 2386 H9 LBA A 233 1.381 1.490 1.730 1.00 0.21 H HETATM 2387 H8 LBA A 233 0.433 -0.648 2.071 1.00 0.06 H HETATM 2388 H6 LBA A 233 1.829 0.237 4.639 1.00 0.06 H HETATM 2389 H7 LBA A 233 1.753 -1.409 3.925 1.00 0.06 H HETATM 2390 H1 LBA A 233 4.791 -0.847 2.259 1.00 0.05 H HETATM 2391 H2 LBA A 233 3.368 -1.940 2.197 1.00 0.05 H HETATM 2392 H3 LBA A 233 4.184 -1.617 3.764 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 536 537 544 545 546 CONECT 544 536 CONECT 545 536 CONECT 546 536 CONECT 1071 1072 1079 1080 1081 CONECT 1079 1071 CONECT 1080 1071 CONECT 1081 1071 CONECT 1606 1607 1614 1615 1616 CONECT 1614 1606 CONECT 1615 1606 CONECT 1616 1606 CONECT 2373 2374 2390 2391 2392 CONECT 2374 2373 2375 CONECT 2375 2374 2376 2388 2389 CONECT 2376 2375 2377 2385 2387 CONECT 2377 2376 2378 2383 2384 CONECT 2378 2377 2379 CONECT 2379 2378 2380 2381 2382 CONECT 2380 2379 CONECT 2381 2379 CONECT 2382 2379 CONECT 2383 2377 CONECT 2384 2377 CONECT 2385 2376 2386 CONECT 2386 2385 CONECT 2387 2376 CONECT 2388 2375 CONECT 2389 2375 CONECT 2390 2373 CONECT 2391 2373 CONECT 2392 2373 MASTER 0 0 0 0 0 0 0 0 2388 4 36 20 END
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Structure:
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Related entries of code: 6ny0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6nxz
RCSB PDB
PDBbind
62aa, >6NXZ_1|Chain... *
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
6ny0
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
type II dihydrofolate reductase
Ligand Name
LBA
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Ki=4.0uM
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
38.69
LOGP Value
-0.69 (
Computed with XLOGP3
)
-0.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
Canonical SMILES
COCC(COC)O
InChI String
InChI=1S/C5H12O3/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
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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