ATOM 1 N PRO A 1 -11.414 -0.136 4.277 1.00 0.94 N ATOM 2 CA PRO A 1 -10.364 -0.171 3.238 1.00 0.45 C ATOM 3 C PRO A 1 -9.009 0.124 3.860 1.00 0.37 C ATOM 4 O PRO A 1 -8.903 0.319 5.072 1.00 0.55 O ATOM 5 CB PRO A 1 -10.686 0.863 2.170 1.00 1.13 C ATOM 6 CG PRO A 1 -11.760 1.676 2.792 1.00 1.31 C ATOM 7 CD PRO A 1 -12.464 0.768 3.770 1.00 1.20 C ATOM 8 H2 PRO A 1 -10.928 0.144 5.146 1.00 1.42 H ATOM 9 H3 PRO A 1 -11.648 -1.142 4.449 1.00 1.38 H ATOM 10 HA PRO A 1 -10.345 -1.155 2.795 1.00 1.10 H ATOM 11 HB2 PRO A 1 -9.807 1.457 1.958 1.00 1.56 H ATOM 12 HB3 PRO A 1 -11.029 0.370 1.271 1.00 1.61 H ATOM 13 HG2 PRO A 1 -11.328 2.517 3.308 1.00 2.09 H ATOM 14 HG3 PRO A 1 -12.452 2.017 2.035 1.00 1.47 H ATOM 15 HD2 PRO A 1 -12.886 1.345 4.578 1.00 1.99 H ATOM 16 HD3 PRO A 1 -13.237 0.207 3.268 1.00 1.32 H ATOM 17 N PHE A 2 -7.981 0.147 3.030 1.00 0.25 N ATOM 18 CA PHE A 2 -6.631 0.416 3.479 1.00 0.26 C ATOM 19 C PHE A 2 -6.062 1.573 2.673 1.00 0.26 C ATOM 20 O PHE A 2 -6.152 1.570 1.448 1.00 0.37 O ATOM 21 CB PHE A 2 -5.756 -0.828 3.302 1.00 0.34 C ATOM 22 CG PHE A 2 -6.359 -2.075 3.884 1.00 0.32 C ATOM 23 CD1 PHE A 2 -7.167 -2.897 3.113 1.00 0.31 C ATOM 24 CD2 PHE A 2 -6.129 -2.417 5.204 1.00 0.39 C ATOM 25 CE1 PHE A 2 -7.733 -4.034 3.652 1.00 0.32 C ATOM 26 CE2 PHE A 2 -6.689 -3.557 5.745 1.00 0.41 C ATOM 27 CZ PHE A 2 -7.493 -4.365 4.968 1.00 0.35 C ATOM 28 H PHE A 2 -8.136 -0.020 2.074 1.00 0.33 H ATOM 29 HA PHE A 2 -6.667 0.685 4.522 1.00 0.30 H ATOM 30 HB2 PHE A 2 -5.591 -0.997 2.249 1.00 0.39 H ATOM 31 HB3 PHE A 2 -4.806 -0.660 3.788 1.00 0.41 H ATOM 32 HD1 PHE A 2 -7.352 -2.643 2.080 1.00 0.36 H ATOM 33 HD2 PHE A 2 -5.500 -1.783 5.812 1.00 0.46 H ATOM 34 HE1 PHE A 2 -8.360 -4.666 3.041 1.00 0.36 H ATOM 35 HE2 PHE A 2 -6.501 -3.816 6.776 1.00 0.51 H ATOM 36 HZ PHE A 2 -7.935 -5.252 5.389 1.00 0.39 H HETATM 37 N 9KK A 3 -5.488 2.586 3.328 1.00 0.29 N HETATM 38 CE 9KK A 3 -5.948 8.635 2.124 1.00 0.99 C HETATM 39 CD 9KK A 3 -6.325 7.369 2.861 1.00 0.93 C HETATM 40 CG 9KK A 3 -5.385 6.244 2.471 1.00 0.85 C HETATM 41 CB 9KK A 3 -5.783 4.926 3.114 1.00 0.45 C HETATM 42 CA 9KK A 3 -4.966 3.741 2.596 1.00 0.31 C HETATM 43 CM 9KK A 3 -5.366 2.535 4.798 1.00 0.43 C HETATM 44 C 9KK A 3 -3.482 3.974 2.828 1.00 0.39 C HETATM 45 O 9KK A 3 -3.035 4.208 3.955 1.00 0.68 O HETATM 46 HE3 9KK A 3 -6.627 9.427 2.399 1.00 1.42 H HETATM 47 HE2 9KK A 3 -4.939 8.917 2.387 1.00 1.57 H HETATM 48 HE1 9KK A 3 -6.009 8.462 1.060 1.00 1.25 H HETATM 49 HD2 9KK A 3 -6.253 7.550 3.924 1.00 1.00 H HETATM 50 HD3 9KK A 3 -7.337 7.100 2.598 1.00 0.93 H HETATM 51 HG2 9KK A 3 -5.400 6.128 1.397 1.00 1.24 H HETATM 52 HG3 9KK A 3 -4.385 6.499 2.791 1.00 1.05 H HETATM 53 HB2 9KK A 3 -5.638 5.012 4.181 1.00 0.54 H HETATM 54 HB3 9KK A 3 -6.829 4.747 2.913 1.00 0.83 H HETATM 55 HA 9KK A 3 -5.137 3.630 1.535 1.00 0.24 H HETATM 56 HM1 9KK A 3 -6.336 2.684 5.245 1.00 1.10 H HETATM 57 HM3 9KK A 3 -4.979 1.572 5.093 1.00 0.98 H HETATM 58 HM2 9KK A 3 -4.692 3.312 5.128 1.00 1.22 H ATOM 59 N CYS A 4 -2.728 3.919 1.750 1.00 0.22 N ATOM 60 CA CYS A 4 -1.309 4.185 1.798 1.00 0.30 C ATOM 61 C CYS A 4 -1.071 5.654 2.118 1.00 0.67 C ATOM 62 O CYS A 4 -1.087 6.504 1.229 1.00 1.71 O ATOM 63 CB CYS A 4 -0.655 3.820 0.468 1.00 0.29 C ATOM 64 SG CYS A 4 1.125 4.102 0.447 1.00 0.40 S ATOM 65 H CYS A 4 -3.147 3.706 0.886 1.00 0.25 H ATOM 66 HA CYS A 4 -0.883 3.577 2.583 1.00 0.57 H ATOM 67 HB2 CYS A 4 -0.829 2.774 0.260 1.00 0.50 H ATOM 68 HB3 CYS A 4 -1.096 4.417 -0.317 1.00 0.45 H ATOM 69 N THR A 5 -0.854 5.945 3.387 1.00 0.40 N ATOM 70 CA THR A 5 -0.684 7.310 3.842 1.00 0.47 C ATOM 71 C THR A 5 0.802 7.675 3.869 1.00 0.41 C ATOM 72 O THR A 5 1.311 8.228 4.844 1.00 0.54 O ATOM 73 CB THR A 5 -1.309 7.484 5.240 1.00 0.82 C ATOM 74 OG1 THR A 5 -2.531 6.729 5.309 1.00 1.39 O ATOM 75 CG2 THR A 5 -1.609 8.947 5.533 1.00 1.47 C ATOM 76 H THR A 5 -0.800 5.214 4.042 1.00 1.12 H ATOM 77 HA THR A 5 -1.198 7.963 3.151 1.00 0.62 H ATOM 78 HB THR A 5 -0.617 7.113 5.982 1.00 1.13 H ATOM 79 HG1 THR A 5 -2.559 6.102 4.572 1.00 1.89 H ATOM 80 HG21 THR A 5 -2.057 9.035 6.511 1.00 1.77 H ATOM 81 HG22 THR A 5 -2.293 9.331 4.789 1.00 2.12 H ATOM 82 HG23 THR A 5 -0.691 9.516 5.506 1.00 1.94 H ATOM 83 N TRP A 6 1.491 7.341 2.786 1.00 0.37 N ATOM 84 CA TRP A 6 2.910 7.625 2.649 1.00 0.47 C ATOM 85 C TRP A 6 3.100 9.088 2.271 1.00 0.61 C ATOM 86 O TRP A 6 2.195 9.703 1.706 1.00 0.63 O ATOM 87 CB TRP A 6 3.516 6.711 1.575 1.00 0.47 C ATOM 88 CG TRP A 6 5.014 6.689 1.550 1.00 0.60 C ATOM 89 CD1 TRP A 6 5.834 7.569 0.909 1.00 0.73 C ATOM 90 CD2 TRP A 6 5.868 5.725 2.172 1.00 0.67 C ATOM 91 NE1 TRP A 6 7.147 7.227 1.115 1.00 0.85 N ATOM 92 CE2 TRP A 6 7.194 6.093 1.881 1.00 0.82 C ATOM 93 CE3 TRP A 6 5.641 4.591 2.953 1.00 0.68 C ATOM 94 CZ2 TRP A 6 8.288 5.366 2.343 1.00 0.94 C ATOM 95 CZ3 TRP A 6 6.726 3.868 3.409 1.00 0.82 C ATOM 96 CH2 TRP A 6 8.034 4.258 3.103 1.00 0.94 C ATOM 97 H TRP A 6 1.026 6.898 2.049 1.00 0.38 H ATOM 98 HA TRP A 6 3.390 7.434 3.596 1.00 0.51 H ATOM 99 HB2 TRP A 6 3.176 5.703 1.737 1.00 0.43 H ATOM 100 HB3 TRP A 6 3.177 7.044 0.607 1.00 0.47 H ATOM 101 HD1 TRP A 6 5.485 8.418 0.339 1.00 0.78 H ATOM 102 HE1 TRP A 6 7.926 7.710 0.760 1.00 0.97 H ATOM 103 HE3 TRP A 6 4.640 4.273 3.198 1.00 0.61 H ATOM 104 HZ2 TRP A 6 9.303 5.654 2.117 1.00 1.06 H ATOM 105 HZ3 TRP A 6 6.569 2.987 4.012 1.00 0.88 H ATOM 106 HH2 TRP A 6 8.850 3.662 3.480 1.00 1.05 H HETATM 107 N AIB A 7 4.264 9.636 2.606 1.00 0.79 N HETATM 108 CA AIB A 7 4.620 11.017 2.256 1.00 0.99 C HETATM 109 C AIB A 7 4.435 11.229 0.742 1.00 0.94 C HETATM 110 O AIB A 7 5.241 10.752 -0.063 1.00 0.94 O HETATM 111 CB1 AIB A 7 6.067 11.274 2.627 1.00 1.21 C HETATM 112 CB2 AIB A 7 3.768 11.992 3.048 1.00 1.13 C HETATM 113 H AIB A 7 4.907 9.098 3.110 1.00 0.83 H HETATM 114 HB11 AIB A 7 6.330 12.289 2.368 1.00 1.51 H HETATM 115 HB12 AIB A 7 6.703 10.588 2.087 1.00 1.83 H HETATM 116 HB13 AIB A 7 6.199 11.128 3.688 1.00 1.48 H HETATM 117 HB21 AIB A 7 3.993 11.896 4.099 1.00 1.35 H HETATM 118 HB22 AIB A 7 2.725 11.770 2.884 1.00 1.60 H HETATM 119 HB23 AIB A 7 3.976 13.001 2.724 1.00 1.63 H ATOM 120 N GLY A 8 3.364 11.914 0.360 1.00 0.95 N ATOM 121 CA GLY A 8 3.125 12.199 -1.041 1.00 0.93 C ATOM 122 C GLY A 8 2.302 11.126 -1.721 1.00 0.76 C ATOM 123 O GLY A 8 2.312 11.011 -2.947 1.00 0.83 O ATOM 124 H GLY A 8 2.725 12.225 1.035 1.00 1.01 H ATOM 125 HA2 GLY A 8 2.605 13.142 -1.121 1.00 1.03 H ATOM 126 HA3 GLY A 8 4.077 12.278 -1.545 1.00 0.99 H ATOM 127 N CYS A 9 1.592 10.335 -0.931 1.00 0.61 N ATOM 128 CA CYS A 9 0.781 9.258 -1.467 1.00 0.55 C ATOM 129 C CYS A 9 -0.545 9.160 -0.715 1.00 0.92 C ATOM 130 O CYS A 9 -0.639 9.563 0.445 1.00 1.94 O ATOM 131 CB CYS A 9 1.546 7.943 -1.355 1.00 0.42 C ATOM 132 SG CYS A 9 0.875 6.606 -2.363 1.00 0.36 S ATOM 133 H CYS A 9 1.619 10.473 0.043 1.00 0.60 H ATOM 134 HA CYS A 9 0.586 9.471 -2.508 1.00 0.54 H ATOM 135 HB2 CYS A 9 2.570 8.102 -1.657 1.00 0.40 H ATOM 136 HB3 CYS A 9 1.526 7.619 -0.327 1.00 0.62 H ATOM 137 N GLY A 10 -1.565 8.630 -1.380 1.00 0.51 N ATOM 138 CA GLY A 10 -2.857 8.457 -0.747 1.00 0.65 C ATOM 139 C GLY A 10 -3.686 7.401 -1.446 1.00 0.58 C ATOM 140 O GLY A 10 -4.909 7.518 -1.536 1.00 0.90 O ATOM 141 H GLY A 10 -1.443 8.358 -2.313 1.00 1.03 H ATOM 142 HA2 GLY A 10 -2.707 8.165 0.282 1.00 0.78 H ATOM 143 HA3 GLY A 10 -3.389 9.395 -0.775 1.00 0.82 H ATOM 144 N LYS A 11 -3.016 6.372 -1.943 1.00 0.37 N ATOM 145 CA LYS A 11 -3.675 5.314 -2.697 1.00 0.28 C ATOM 146 C LYS A 11 -4.484 4.406 -1.769 1.00 0.22 C ATOM 147 O LYS A 11 -4.009 4.038 -0.696 1.00 0.28 O ATOM 148 CB LYS A 11 -2.633 4.486 -3.455 1.00 0.36 C ATOM 149 CG LYS A 11 -1.906 5.251 -4.554 1.00 0.42 C ATOM 150 CD LYS A 11 -2.814 5.518 -5.745 1.00 0.67 C ATOM 151 CE LYS A 11 -2.072 6.205 -6.884 1.00 1.05 C ATOM 152 NZ LYS A 11 -1.576 7.556 -6.501 1.00 1.40 N1+ ATOM 153 H LYS A 11 -2.052 6.315 -1.787 1.00 0.51 H ATOM 154 HA LYS A 11 -4.343 5.779 -3.405 1.00 0.30 H ATOM 155 HB2 LYS A 11 -1.896 4.128 -2.751 1.00 0.43 H ATOM 156 HB3 LYS A 11 -3.127 3.637 -3.904 1.00 0.39 H ATOM 157 HG2 LYS A 11 -1.565 6.195 -4.156 1.00 0.81 H ATOM 158 HG3 LYS A 11 -1.058 4.668 -4.881 1.00 0.69 H ATOM 159 HD2 LYS A 11 -3.204 4.577 -6.103 1.00 0.84 H ATOM 160 HD3 LYS A 11 -3.631 6.149 -5.429 1.00 1.18 H ATOM 161 HE2 LYS A 11 -1.231 5.593 -7.171 1.00 1.67 H ATOM 162 HE3 LYS A 11 -2.744 6.304 -7.724 1.00 1.72 H ATOM 163 HZ1 LYS A 11 -2.367 8.151 -6.176 1.00 1.79 H ATOM 164 HZ2 LYS A 11 -1.131 8.022 -7.319 1.00 1.89 H ATOM 165 HZ3 LYS A 11 -0.876 7.479 -5.738 1.00 1.93 H HETATM 166 N MMO A 12 -5.715 4.030 -2.160 1.00 0.18 N HETATM 167 CA MMO A 12 -6.549 3.169 -1.299 1.00 0.17 C HETATM 168 C MMO A 12 -6.880 1.818 -1.932 1.00 0.14 C HETATM 169 O MMO A 12 -7.149 1.714 -3.129 1.00 0.25 O HETATM 170 CB MMO A 12 -7.827 3.973 -1.051 1.00 0.28 C HETATM 171 CG MMO A 12 -7.601 5.258 -0.269 1.00 0.38 C HETATM 172 CD MMO A 12 -8.913 5.938 0.084 1.00 0.55 C HETATM 173 NE MMO A 12 -9.696 6.288 -1.098 1.00 1.09 N HETATM 174 CZ MMO A 12 -10.568 7.293 -1.142 1.00 1.58 C HETATM 175 NH2 MMO A 12 -10.771 8.050 -0.071 1.00 1.59 N HETATM 176 NH1 MMO A 12 -11.245 7.537 -2.255 1.00 2.55 N HETATM 177 CN MMO A 12 -6.227 4.475 -3.477 1.00 0.27 C HETATM 178 HA MMO A 12 -6.057 2.991 -0.354 1.00 0.21 H HETATM 179 HCB1 MMO A 12 -8.518 3.358 -0.492 1.00 0.32 H HETATM 180 HCB2 MMO A 12 -8.271 4.227 -2.001 1.00 0.31 H HETATM 181 HCG1 MMO A 12 -7.004 5.932 -0.867 1.00 0.37 H HETATM 182 HCG2 MMO A 12 -7.077 5.021 0.643 1.00 0.41 H HETATM 183 HCD1 MMO A 12 -8.696 6.838 0.639 1.00 1.24 H HETATM 184 HCD2 MMO A 12 -9.493 5.268 0.699 1.00 1.20 H HETATM 185 HH21 MMO A 12 -10.270 7.869 0.779 1.00 1.64 H HETATM 186 HH22 MMO A 12 -11.426 8.810 -0.106 1.00 2.05 H HETATM 187 HH11 MMO A 12 -11.902 8.295 -2.292 1.00 2.91 H HETATM 188 HC1 MMO A 12 -6.477 5.524 -3.432 1.00 1.00 H HETATM 189 HC2 MMO A 12 -7.109 3.904 -3.729 1.00 1.08 H HETATM 190 HC3 MMO A 12 -5.468 4.317 -4.229 1.00 1.02 H HETATM 191 HE MMO A 12 -9.570 5.737 -1.904 1.00 1.66 H HETATM 192 HH12 MMO A 12 -11.111 6.960 -3.064 1.00 3.06 H ATOM 193 N PHE A 13 -6.859 0.782 -1.109 1.00 0.13 N ATOM 194 CA PHE A 13 -7.043 -0.586 -1.571 1.00 0.12 C ATOM 195 C PHE A 13 -8.003 -1.332 -0.652 1.00 0.16 C ATOM 196 O PHE A 13 -8.180 -0.956 0.506 1.00 0.32 O ATOM 197 CB PHE A 13 -5.687 -1.296 -1.607 1.00 0.18 C ATOM 198 CG PHE A 13 -4.694 -0.616 -2.505 1.00 0.23 C ATOM 199 CD1 PHE A 13 -4.599 -0.973 -3.840 1.00 0.27 C ATOM 200 CD2 PHE A 13 -3.849 0.365 -2.014 1.00 0.28 C ATOM 201 CE1 PHE A 13 -3.681 -0.365 -4.670 1.00 0.33 C ATOM 202 CE2 PHE A 13 -2.928 0.980 -2.840 1.00 0.35 C ATOM 203 CZ PHE A 13 -2.873 0.668 -4.161 1.00 0.36 C ATOM 204 H PHE A 13 -6.710 0.940 -0.152 1.00 0.24 H ATOM 205 HA PHE A 13 -7.456 -0.555 -2.567 1.00 0.13 H ATOM 206 HB2 PHE A 13 -5.272 -1.315 -0.611 1.00 0.22 H ATOM 207 HB3 PHE A 13 -5.820 -2.307 -1.958 1.00 0.19 H ATOM 208 HD1 PHE A 13 -5.250 -1.740 -4.229 1.00 0.28 H ATOM 209 HD2 PHE A 13 -3.917 0.651 -0.975 1.00 0.30 H ATOM 210 HE1 PHE A 13 -3.620 -0.655 -5.709 1.00 0.38 H ATOM 211 HE2 PHE A 13 -2.274 1.743 -2.448 1.00 0.41 H ATOM 212 HZ PHE A 13 -2.165 1.169 -4.805 1.00 0.41 H ATOM 213 N THR A 14 -8.626 -2.380 -1.169 1.00 0.20 N ATOM 214 CA THR A 14 -9.579 -3.161 -0.392 1.00 0.26 C ATOM 215 C THR A 14 -8.927 -4.435 0.154 1.00 0.18 C ATOM 216 O THR A 14 -9.562 -5.221 0.859 1.00 0.32 O ATOM 217 CB THR A 14 -10.833 -3.517 -1.233 1.00 0.46 C ATOM 218 OG1 THR A 14 -11.799 -4.217 -0.436 1.00 1.31 O ATOM 219 CG2 THR A 14 -10.464 -4.361 -2.445 1.00 0.93 C ATOM 220 H THR A 14 -8.444 -2.633 -2.102 1.00 0.30 H ATOM 221 HA THR A 14 -9.896 -2.552 0.444 1.00 0.34 H ATOM 222 HB THR A 14 -11.278 -2.597 -1.582 1.00 1.25 H ATOM 223 HG1 THR A 14 -11.753 -3.902 0.477 1.00 1.99 H ATOM 224 HG21 THR A 14 -11.353 -4.580 -3.016 1.00 1.54 H ATOM 225 HG22 THR A 14 -10.012 -5.284 -2.116 1.00 1.62 H ATOM 226 HG23 THR A 14 -9.763 -3.818 -3.063 1.00 1.52 H ATOM 227 N ARG A 15 -7.653 -4.632 -0.168 1.00 0.16 N ATOM 228 CA ARG A 15 -6.906 -5.777 0.336 1.00 0.16 C ATOM 229 C ARG A 15 -5.574 -5.330 0.921 1.00 0.14 C ATOM 230 O ARG A 15 -4.793 -4.640 0.261 1.00 0.14 O ATOM 231 CB ARG A 15 -6.659 -6.791 -0.778 1.00 0.29 C ATOM 232 CG ARG A 15 -7.924 -7.432 -1.319 1.00 0.31 C ATOM 233 CD ARG A 15 -7.615 -8.428 -2.421 1.00 0.92 C ATOM 234 NE ARG A 15 -8.830 -9.029 -2.967 1.00 1.27 N ATOM 235 CZ ARG A 15 -8.888 -10.251 -3.490 1.00 1.98 C ATOM 236 NH1 ARG A 15 -7.798 -11.010 -3.534 1.00 2.51 N1+ ATOM 237 NH2 ARG A 15 -10.035 -10.713 -3.968 1.00 2.55 N ATOM 238 H ARG A 15 -7.205 -3.995 -0.763 1.00 0.29 H ATOM 239 HA ARG A 15 -7.493 -6.240 1.114 1.00 0.19 H ATOM 240 HB2 ARG A 15 -6.157 -6.294 -1.594 1.00 0.36 H ATOM 241 HB3 ARG A 15 -6.018 -7.572 -0.397 1.00 0.38 H ATOM 242 HG2 ARG A 15 -8.428 -7.947 -0.513 1.00 0.57 H ATOM 243 HG3 ARG A 15 -8.567 -6.661 -1.712 1.00 0.65 H ATOM 244 HD2 ARG A 15 -7.089 -7.919 -3.215 1.00 1.45 H ATOM 245 HD3 ARG A 15 -6.989 -9.209 -2.019 1.00 1.50 H ATOM 246 HE ARG A 15 -9.651 -8.482 -2.946 1.00 1.47 H ATOM 247 HH11 ARG A 15 -6.928 -10.664 -3.173 1.00 2.52 H ATOM 248 HH12 ARG A 15 -7.839 -11.929 -3.936 1.00 3.13 H ATOM 249 HH21 ARG A 15 -10.862 -10.144 -3.936 1.00 2.68 H ATOM 250 HH22 ARG A 15 -10.088 -11.641 -4.353 1.00 3.07 H ATOM 251 N SER A 16 -5.326 -5.741 2.163 1.00 0.15 N ATOM 252 CA SER A 16 -4.104 -5.389 2.876 1.00 0.17 C ATOM 253 C SER A 16 -2.883 -5.941 2.155 1.00 0.15 C ATOM 254 O SER A 16 -1.847 -5.283 2.073 1.00 0.17 O ATOM 255 CB SER A 16 -4.170 -5.915 4.311 1.00 0.24 C ATOM 256 OG SER A 16 -4.559 -7.279 4.334 1.00 1.27 O ATOM 257 H SER A 16 -5.989 -6.304 2.617 1.00 0.17 H ATOM 258 HA SER A 16 -4.032 -4.313 2.897 1.00 0.18 H ATOM 259 HB2 SER A 16 -3.196 -5.824 4.770 1.00 1.04 H ATOM 260 HB3 SER A 16 -4.889 -5.338 4.872 1.00 1.05 H ATOM 261 HG SER A 16 -5.464 -7.347 4.670 1.00 1.61 H HETATM 262 OE1 B3D A 17 -2.361 -11.196 0.637 1.00 2.20 O HETATM 263 CD B3D A 17 -2.639 -10.187 1.321 1.00 1.42 C HETATM 264 OE2 B3D A 17 -3.764 -10.021 1.837 1.00 2.21 O HETATM 265 CG B3D A 17 -1.568 -9.126 1.532 1.00 0.28 C HETATM 266 CB B3D A 17 -1.931 -7.763 0.905 1.00 0.19 C HETATM 267 N B3D A 17 -3.005 -7.156 1.642 1.00 0.15 N HETATM 268 CA B3D A 17 -2.356 -8.029 -0.537 1.00 0.16 C HETATM 269 C B3D A 17 -1.928 -6.954 -1.499 1.00 0.15 C HETATM 270 O B3D A 17 -0.743 -6.792 -1.794 1.00 0.20 O HETATM 271 HG3 B3D A 17 -0.652 -9.478 1.088 1.00 1.07 H HETATM 272 HG2 B3D A 17 -1.420 -8.998 2.594 1.00 0.93 H HETATM 273 HB B3D A 17 -1.093 -7.042 0.929 1.00 0.20 H HETATM 274 H B3D A 17 -3.839 -7.657 1.782 1.00 0.16 H HETATM 275 HA1 B3D A 17 -1.925 -8.963 -0.860 1.00 0.22 H HETATM 276 HA2 B3D A 17 -3.433 -8.104 -0.576 1.00 0.15 H ATOM 277 N GLU A 18 -2.912 -6.195 -1.973 1.00 0.14 N ATOM 278 CA GLU A 18 -2.684 -5.144 -2.952 1.00 0.21 C ATOM 279 C GLU A 18 -2.073 -3.911 -2.305 1.00 0.15 C ATOM 280 O GLU A 18 -1.284 -3.205 -2.929 1.00 0.18 O ATOM 281 CB GLU A 18 -3.999 -4.775 -3.638 1.00 0.39 C ATOM 282 CG GLU A 18 -4.619 -5.921 -4.419 1.00 0.56 C ATOM 283 CD GLU A 18 -3.799 -6.311 -5.631 1.00 1.75 C ATOM 284 OE1 GLU A 18 -2.767 -6.993 -5.464 1.00 2.68 O ATOM 285 OE2 GLU A 18 -4.189 -5.948 -6.759 1.00 2.01 O1- ATOM 286 H GLU A 18 -3.822 -6.351 -1.654 1.00 0.13 H ATOM 287 HA GLU A 18 -1.997 -5.525 -3.691 1.00 0.29 H ATOM 288 HB2 GLU A 18 -4.705 -4.455 -2.887 1.00 0.42 H ATOM 289 HB3 GLU A 18 -3.818 -3.958 -4.322 1.00 0.44 H ATOM 290 HG2 GLU A 18 -4.703 -6.778 -3.769 1.00 0.84 H ATOM 291 HG3 GLU A 18 -5.604 -5.625 -4.749 1.00 0.95 H ATOM 292 N LEU A 19 -2.444 -3.650 -1.058 1.00 0.15 N ATOM 293 CA LEU A 19 -1.894 -2.522 -0.325 1.00 0.17 C ATOM 294 C LEU A 19 -0.398 -2.721 -0.111 1.00 0.16 C ATOM 295 O LEU A 19 0.404 -1.859 -0.456 1.00 0.19 O ATOM 296 CB LEU A 19 -2.638 -2.354 1.013 1.00 0.22 C ATOM 297 CG LEU A 19 -2.193 -1.195 1.926 1.00 0.31 C ATOM 298 CD1 LEU A 19 -0.943 -1.558 2.713 1.00 0.69 C ATOM 299 CD2 LEU A 19 -1.966 0.084 1.127 1.00 0.86 C ATOM 300 H LEU A 19 -3.114 -4.223 -0.621 1.00 0.16 H ATOM 301 HA LEU A 19 -2.044 -1.638 -0.925 1.00 0.21 H ATOM 302 HB2 LEU A 19 -3.686 -2.220 0.794 1.00 0.26 H ATOM 303 HB3 LEU A 19 -2.527 -3.274 1.568 1.00 0.20 H ATOM 304 HG LEU A 19 -2.980 -1.000 2.638 1.00 0.82 H ATOM 305 HD11 LEU A 19 -1.158 -2.397 3.357 1.00 1.31 H ATOM 306 HD12 LEU A 19 -0.635 -0.716 3.309 1.00 1.20 H ATOM 307 HD13 LEU A 19 -0.150 -1.825 2.029 1.00 1.31 H ATOM 308 HD21 LEU A 19 -1.610 0.859 1.786 1.00 1.38 H ATOM 309 HD22 LEU A 19 -2.895 0.396 0.679 1.00 1.53 H ATOM 310 HD23 LEU A 19 -1.233 -0.096 0.353 1.00 1.36 H ATOM 311 N GLN A 20 -0.030 -3.864 0.451 1.00 0.16 N ATOM 312 CA GLN A 20 1.369 -4.157 0.737 1.00 0.21 C ATOM 313 C GLN A 20 2.157 -4.398 -0.547 1.00 0.16 C ATOM 314 O GLN A 20 3.236 -3.830 -0.743 1.00 0.16 O ATOM 315 CB GLN A 20 1.485 -5.366 1.667 1.00 0.30 C ATOM 316 CG GLN A 20 2.906 -5.645 2.138 1.00 0.37 C ATOM 317 CD GLN A 20 3.562 -4.438 2.784 1.00 1.09 C ATOM 318 OE1 GLN A 20 3.436 -4.218 3.988 1.00 1.82 O ATOM 319 NE2 GLN A 20 4.267 -3.645 1.991 1.00 1.83 N ATOM 320 H GLN A 20 -0.720 -4.518 0.700 1.00 0.16 H ATOM 321 HA GLN A 20 1.785 -3.296 1.237 1.00 0.27 H ATOM 322 HB2 GLN A 20 0.866 -5.198 2.535 1.00 0.35 H ATOM 323 HB3 GLN A 20 1.125 -6.240 1.146 1.00 0.30 H ATOM 324 HG2 GLN A 20 2.879 -6.448 2.859 1.00 0.90 H ATOM 325 HG3 GLN A 20 3.501 -5.947 1.287 1.00 1.00 H ATOM 326 HE21 GLN A 20 4.328 -3.874 1.037 1.00 2.08 H ATOM 327 HE22 GLN A 20 4.706 -2.865 2.389 1.00 2.45 H HETATM 328 N HMR A 21 1.622 -5.232 -1.427 1.00 0.18 N HETATM 329 CA HMR A 21 2.288 -5.524 -2.668 1.00 0.19 C HETATM 330 CB HMR A 21 2.291 -7.043 -2.878 1.00 0.29 C HETATM 331 CG HMR A 21 2.780 -7.827 -1.672 1.00 0.51 C HETATM 332 CD HMR A 21 2.579 -9.320 -1.858 1.00 0.94 C HETATM 333 NE HMR A 21 1.184 -9.658 -2.142 1.00 1.75 N HETATM 334 CZ HMR A 21 0.677 -10.882 -2.016 1.00 2.14 C HETATM 335 NH1 HMR A 21 1.446 -11.884 -1.613 1.00 1.94 N HETATM 336 NH2 HMR A 21 -0.600 -11.109 -2.304 1.00 3.01 N HETATM 337 C HMR A 21 2.009 -3.549 -4.231 1.00 0.17 C HETATM 338 O HMR A 21 2.975 -3.378 -4.977 1.00 0.27 O HETATM 339 CH2 HMR A 21 1.539 -4.926 -3.856 1.00 0.16 C HETATM 340 H HMR A 21 0.753 -5.651 -1.235 1.00 0.22 H HETATM 341 HA HMR A 21 3.306 -5.093 -2.591 1.00 0.23 H HETATM 342 HB2 HMR A 21 2.929 -7.277 -3.716 1.00 0.35 H HETATM 343 HB3 HMR A 21 1.286 -7.362 -3.102 1.00 0.29 H HETATM 344 HG2 HMR A 21 2.228 -7.506 -0.802 1.00 0.69 H HETATM 345 HG3 HMR A 21 3.831 -7.631 -1.529 1.00 0.87 H HETATM 346 HD2 HMR A 21 2.885 -9.827 -0.955 1.00 1.35 H HETATM 347 HD3 HMR A 21 3.193 -9.653 -2.681 1.00 1.23 H HETATM 348 HE HMR A 21 0.595 -8.928 -2.439 1.00 2.22 H HETATM 349 HH1 HMR A 21 2.412 -11.724 -1.396 1.00 1.68 H HETATM 350 HH21 HMR A 21 -0.979 -12.033 -2.209 1.00 3.31 H HETATM 351 HH22 HMR A 21 -1.192 -10.359 -2.613 1.00 3.45 H HETATM 352 HC1 HMR A 21 1.672 -5.570 -4.711 1.00 0.19 H HETATM 353 HC2 HMR A 21 0.487 -4.868 -3.615 1.00 0.14 H HETATM 354 HH2 HMR A 21 1.064 -12.809 -1.520 1.00 2.33 H ATOM 355 N HIS A 22 1.312 -2.558 -3.698 1.00 0.15 N ATOM 356 CA HIS A 22 1.604 -1.165 -3.966 1.00 0.15 C ATOM 357 C HIS A 22 2.757 -0.656 -3.102 1.00 0.13 C ATOM 358 O HIS A 22 3.735 -0.129 -3.633 1.00 0.12 O ATOM 359 CB HIS A 22 0.344 -0.319 -3.737 1.00 0.20 C ATOM 360 CG HIS A 22 0.621 1.146 -3.611 1.00 0.16 C ATOM 361 ND1 HIS A 22 0.609 2.047 -4.671 1.00 0.20 N ATOM 362 CD2 HIS A 22 0.982 1.857 -2.516 1.00 0.17 C ATOM 363 CE1 HIS A 22 0.974 3.247 -4.188 1.00 0.21 C ATOM 364 NE2 HIS A 22 1.202 3.153 -2.904 1.00 0.18 N ATOM 365 H HIS A 22 0.561 -2.777 -3.102 1.00 0.18 H ATOM 366 HA HIS A 22 1.889 -1.084 -5.003 1.00 0.16 H ATOM 367 HB2 HIS A 22 -0.330 -0.460 -4.566 1.00 0.25 H ATOM 368 HB3 HIS A 22 -0.138 -0.648 -2.827 1.00 0.25 H ATOM 369 HD1 HIS A 22 0.372 1.844 -5.603 1.00 0.24 H ATOM 370 HD2 HIS A 22 1.069 1.483 -1.508 1.00 0.21 H ATOM 371 HE1 HIS A 22 1.058 4.152 -4.772 1.00 0.27 H ATOM 372 N LYS A 23 2.624 -0.810 -1.779 1.00 0.18 N ATOM 373 CA LYS A 23 3.587 -0.258 -0.819 1.00 0.19 C ATOM 374 C LYS A 23 5.007 -0.614 -1.232 1.00 0.17 C ATOM 375 O LYS A 23 5.904 0.231 -1.217 1.00 0.18 O ATOM 376 CB LYS A 23 3.295 -0.778 0.594 1.00 0.27 C ATOM 377 CG LYS A 23 4.133 -0.124 1.686 1.00 0.73 C ATOM 378 CD LYS A 23 3.618 1.264 2.057 1.00 0.61 C ATOM 379 CE LYS A 23 2.236 1.204 2.701 1.00 0.85 C ATOM 380 NZ LYS A 23 1.827 2.518 3.268 1.00 1.01 N1+ ATOM 381 H LYS A 23 1.852 -1.314 -1.436 1.00 0.22 H ATOM 382 HA LYS A 23 3.484 0.815 -0.828 1.00 0.20 H ATOM 383 HB2 LYS A 23 2.254 -0.602 0.818 1.00 0.78 H ATOM 384 HB3 LYS A 23 3.482 -1.843 0.618 1.00 0.73 H ATOM 385 HG2 LYS A 23 4.111 -0.748 2.567 1.00 1.26 H ATOM 386 HG3 LYS A 23 5.151 -0.034 1.334 1.00 1.25 H ATOM 387 HD2 LYS A 23 4.308 1.721 2.752 1.00 0.85 H ATOM 388 HD3 LYS A 23 3.561 1.866 1.162 1.00 0.88 H ATOM 389 HE2 LYS A 23 1.514 0.906 1.954 1.00 1.56 H ATOM 390 HE3 LYS A 23 2.254 0.470 3.493 1.00 1.39 H ATOM 391 HZ1 LYS A 23 1.820 3.246 2.525 1.00 1.57 H ATOM 392 HZ2 LYS A 23 2.491 2.808 4.018 1.00 1.30 H ATOM 393 HZ3 LYS A 23 0.873 2.451 3.680 1.00 1.62 H HETATM 394 N HMR A 24 5.198 -1.863 -1.622 1.00 0.18 N HETATM 395 CA HMR A 24 6.482 -2.308 -2.075 1.00 0.20 C HETATM 396 CB HMR A 24 6.682 -3.768 -1.636 1.00 0.30 C HETATM 397 CG HMR A 24 8.038 -4.349 -1.994 1.00 0.34 C HETATM 398 CD HMR A 24 8.157 -5.789 -1.527 1.00 0.50 C HETATM 399 NE HMR A 24 9.472 -6.353 -1.818 1.00 0.95 N HETATM 400 CZ HMR A 24 9.840 -7.596 -1.511 1.00 1.35 C HETATM 401 NH1 HMR A 24 11.059 -8.018 -1.817 1.00 1.85 N HETATM 402 NH2 HMR A 24 8.992 -8.419 -0.906 1.00 1.46 N HETATM 403 C HMR A 24 7.266 -1.059 -4.152 1.00 0.18 C HETATM 404 O HMR A 24 8.475 -1.098 -4.396 1.00 0.27 O HETATM 405 CH2 HMR A 24 6.537 -2.263 -3.604 1.00 0.21 C HETATM 406 H HMR A 24 4.444 -2.496 -1.603 1.00 0.21 H HETATM 407 HA HMR A 24 7.229 -1.621 -1.642 1.00 0.21 H HETATM 408 HB2 HMR A 24 5.921 -4.376 -2.103 1.00 0.35 H HETATM 409 HB3 HMR A 24 6.566 -3.824 -0.565 1.00 0.37 H HETATM 410 HG2 HMR A 24 8.810 -3.760 -1.524 1.00 0.40 H HETATM 411 HG3 HMR A 24 8.160 -4.320 -3.065 1.00 0.38 H HETATM 412 HD2 HMR A 24 7.402 -6.380 -2.026 1.00 0.63 H HETATM 413 HD3 HMR A 24 7.991 -5.821 -0.460 1.00 0.77 H HETATM 414 HE HMR A 24 10.119 -5.767 -2.276 1.00 1.18 H HETATM 415 HH1 HMR A 24 11.704 -7.405 -2.278 1.00 2.03 H HETATM 416 HH21 HMR A 24 8.066 -8.113 -0.672 1.00 1.35 H HETATM 417 HH22 HMR A 24 9.275 -9.355 -0.676 1.00 1.83 H HETATM 418 HC1 HMR A 24 7.034 -3.149 -3.960 1.00 0.28 H HETATM 419 HC2 HMR A 24 5.528 -2.248 -3.988 1.00 0.23 H HETATM 420 HH2 HMR A 24 11.341 -8.955 -1.588 1.00 2.15 H ATOM 421 N THR A 25 6.519 0.027 -4.331 1.00 0.16 N ATOM 422 CA THR A 25 7.040 1.230 -4.966 1.00 0.23 C ATOM 423 C THR A 25 7.794 2.120 -3.974 1.00 0.22 C ATOM 424 O THR A 25 8.718 2.839 -4.356 1.00 0.34 O ATOM 425 CB THR A 25 5.910 2.040 -5.651 1.00 0.34 C ATOM 426 OG1 THR A 25 6.459 3.124 -6.413 1.00 1.33 O ATOM 427 CG2 THR A 25 4.916 2.596 -4.638 1.00 1.09 C ATOM 428 H THR A 25 5.582 0.012 -4.028 1.00 0.17 H ATOM 429 HA THR A 25 7.730 0.917 -5.732 1.00 0.30 H ATOM 430 HB THR A 25 5.380 1.380 -6.321 1.00 0.94 H ATOM 431 HG1 THR A 25 6.993 2.772 -7.140 1.00 1.98 H ATOM 432 HG21 THR A 25 4.437 1.780 -4.118 1.00 1.66 H ATOM 433 HG22 THR A 25 4.170 3.183 -5.151 1.00 1.47 H ATOM 434 HG23 THR A 25 5.438 3.220 -3.926 1.00 1.67 H ATOM 435 N HIS A 26 7.414 2.075 -2.702 1.00 0.20 N ATOM 436 CA HIS A 26 8.082 2.891 -1.694 1.00 0.25 C ATOM 437 C HIS A 26 9.105 2.052 -0.946 1.00 0.30 C ATOM 438 O HIS A 26 10.250 2.467 -0.746 1.00 0.38 O ATOM 439 CB HIS A 26 7.101 3.465 -0.665 1.00 0.25 C ATOM 440 CG HIS A 26 5.871 4.114 -1.218 1.00 0.24 C ATOM 441 ND1 HIS A 26 5.846 5.306 -1.943 1.00 0.29 N ATOM 442 CD2 HIS A 26 4.582 3.742 -1.066 1.00 0.25 C ATOM 443 CE1 HIS A 26 4.553 5.609 -2.185 1.00 0.30 C ATOM 444 NE2 HIS A 26 3.784 4.686 -1.668 1.00 0.25 N ATOM 445 H HIS A 26 6.683 1.473 -2.433 1.00 0.24 H ATOM 446 HA HIS A 26 8.588 3.701 -2.196 1.00 0.31 H ATOM 447 HB2 HIS A 26 6.774 2.665 -0.018 1.00 0.27 H ATOM 448 HB3 HIS A 26 7.620 4.201 -0.067 1.00 0.28 H ATOM 449 HD1 HIS A 26 6.629 5.833 -2.222 1.00 0.33 H ATOM 450 HD2 HIS A 26 4.228 2.857 -0.563 1.00 0.28 H ATOM 451 HE1 HIS A 26 4.207 6.483 -2.716 1.00 0.37 H HETATM 452 CG B3T A 27 8.761 -0.690 1.371 1.00 0.60 C HETATM 453 OD1 B3T A 27 7.601 -1.360 0.870 1.00 0.76 O HETATM 454 CD2 B3T A 27 8.347 0.349 2.400 1.00 0.76 C HETATM 455 CB B3T A 27 9.532 -0.038 0.217 1.00 0.46 C HETATM 456 N B3T A 27 8.676 0.871 -0.529 1.00 0.36 N HETATM 457 CA B3T A 27 10.125 -1.098 -0.714 1.00 0.62 C HETATM 458 C B3T A 27 11.534 -1.495 -0.316 1.00 0.82 C HETATM 459 O B3T A 27 12.279 -0.700 0.262 1.00 1.03 O HETATM 460 HG B3T A 27 9.406 -1.412 1.849 1.00 0.67 H HETATM 461 HOD1 B3T A 27 7.696 -2.313 1.010 1.00 1.25 H HETATM 462 H1D2 B3T A 27 9.226 0.832 2.797 1.00 1.25 H HETATM 463 H2D2 B3T A 27 7.807 -0.132 3.200 1.00 1.43 H HETATM 464 H3D2 B3T A 27 7.714 1.086 1.928 1.00 1.15 H HETATM 465 HB B3T A 27 10.329 0.533 0.652 1.00 0.52 H HETATM 466 HN B3T A 27 7.751 0.600 -0.724 1.00 0.39 H HETATM 467 HA B3T A 27 10.151 -0.708 -1.721 1.00 0.63 H HETATM 468 HAA B3T A 27 9.499 -1.976 -0.688 1.00 0.70 H ATOM 469 N GLY A 28 11.904 -2.730 -0.622 1.00 1.30 N ATOM 470 CA GLY A 28 13.206 -3.228 -0.235 1.00 1.53 C ATOM 471 C GLY A 28 13.145 -4.014 1.057 1.00 1.68 C ATOM 472 O GLY A 28 13.081 -5.244 1.041 1.00 2.18 O ATOM 473 H GLY A 28 11.290 -3.310 -1.118 1.00 1.67 H ATOM 474 HA2 GLY A 28 13.584 -3.868 -1.017 1.00 1.86 H ATOM 475 HA3 GLY A 28 13.878 -2.394 -0.107 1.00 1.58 H ATOM 476 N GLU A 29 13.142 -3.305 2.176 1.00 1.96 N ATOM 477 CA GLU A 29 13.098 -3.941 3.484 1.00 2.41 C ATOM 478 C GLU A 29 11.711 -4.511 3.754 1.00 2.39 C ATOM 479 O GLU A 29 11.566 -5.676 4.135 1.00 3.19 O ATOM 480 CB GLU A 29 13.479 -2.952 4.595 1.00 3.15 C ATOM 481 CG GLU A 29 14.886 -2.379 4.477 1.00 3.91 C ATOM 482 CD GLU A 29 14.989 -1.228 3.494 1.00 4.36 C ATOM 483 OE1 GLU A 29 14.791 -0.067 3.909 1.00 4.89 O ATOM 484 OE2 GLU A 29 15.284 -1.474 2.306 1.00 4.51 O1- ATOM 485 H GLU A 29 13.173 -2.325 2.121 1.00 2.25 H ATOM 486 HA GLU A 29 13.810 -4.753 3.477 1.00 2.64 H ATOM 487 HB2 GLU A 29 12.780 -2.131 4.582 1.00 3.38 H ATOM 488 HB3 GLU A 29 13.400 -3.455 5.547 1.00 3.49 H ATOM 489 HG2 GLU A 29 15.194 -2.025 5.448 1.00 4.30 H ATOM 490 HG3 GLU A 29 15.552 -3.166 4.156 1.00 4.26 H ATOM 491 N LYS A 30 10.691 -3.689 3.556 1.00 1.95 N ATOM 492 CA LYS A 30 9.317 -4.117 3.767 1.00 2.32 C ATOM 493 C LYS A 30 8.729 -4.651 2.468 1.00 2.89 C ATOM 494 O LYS A 30 8.217 -3.897 1.640 1.00 3.15 O ATOM 495 CB LYS A 30 8.465 -2.960 4.303 1.00 2.23 C ATOM 496 CG LYS A 30 7.021 -3.344 4.596 1.00 2.98 C ATOM 497 CD LYS A 30 6.168 -2.126 4.923 1.00 3.35 C ATOM 498 CE LYS A 30 6.620 -1.438 6.205 1.00 3.96 C ATOM 499 NZ LYS A 30 6.432 -2.304 7.399 1.00 4.54 N1+ ATOM 500 H LYS A 30 10.867 -2.772 3.249 1.00 1.83 H ATOM 501 HA LYS A 30 9.328 -4.916 4.498 1.00 2.86 H ATOM 502 HB2 LYS A 30 8.908 -2.594 5.218 1.00 2.41 H ATOM 503 HB3 LYS A 30 8.460 -2.163 3.576 1.00 2.30 H ATOM 504 HG2 LYS A 30 6.607 -3.835 3.727 1.00 3.30 H ATOM 505 HG3 LYS A 30 7.003 -4.022 5.437 1.00 3.48 H ATOM 506 HD2 LYS A 30 6.240 -1.422 4.107 1.00 3.50 H ATOM 507 HD3 LYS A 30 5.140 -2.441 5.038 1.00 3.54 H ATOM 508 HE2 LYS A 30 7.666 -1.190 6.115 1.00 4.07 H ATOM 509 HE3 LYS A 30 6.047 -0.533 6.333 1.00 4.35 H ATOM 510 HZ1 LYS A 30 7.039 -3.146 7.333 1.00 4.69 H ATOM 511 HZ2 LYS A 30 5.442 -2.610 7.469 1.00 4.86 H ATOM 512 HZ3 LYS A 30 6.680 -1.781 8.262 1.00 4.84 H HETATM 513 N NH2 A 31 8.814 -5.955 2.285 1.00 3.54 N HETATM 514 HN1 NH2 A 31 9.236 -6.494 2.988 1.00 3.61 H HETATM 515 HN2 NH2 A 31 8.447 -6.331 1.458 1.00 4.13 H TER 516 NH2 A 31 HETATM 517 ZN ZN A 101 1.792 4.613 -1.689 1.00 0.26 ZN