ATOM 1 N PRO A 1 -11.385 0.526 4.178 1.00 0.94 N ATOM 2 CA PRO A 1 -10.332 0.118 3.223 1.00 0.45 C ATOM 3 C PRO A 1 -8.953 0.347 3.821 1.00 0.37 C ATOM 4 O PRO A 1 -8.824 0.847 4.938 1.00 0.55 O ATOM 5 CB PRO A 1 -10.490 0.917 1.941 1.00 1.13 C ATOM 6 CG PRO A 1 -11.866 1.467 2.051 1.00 1.31 C ATOM 7 CD PRO A 1 -12.143 1.617 3.528 1.00 1.20 C ATOM 8 H2 PRO A 1 -10.882 0.759 5.054 1.00 1.42 H ATOM 9 H3 PRO A 1 -11.881 -0.364 4.418 1.00 1.38 H ATOM 10 HA PRO A 1 -10.451 -0.933 3.009 1.00 1.10 H ATOM 11 HB2 PRO A 1 -9.744 1.699 1.901 1.00 1.56 H ATOM 12 HB3 PRO A 1 -10.392 0.266 1.085 1.00 1.61 H ATOM 13 HG2 PRO A 1 -11.920 2.428 1.560 1.00 2.09 H ATOM 14 HG3 PRO A 1 -12.569 0.780 1.608 1.00 1.47 H ATOM 15 HD2 PRO A 1 -11.795 2.579 3.877 1.00 1.99 H ATOM 16 HD3 PRO A 1 -13.199 1.510 3.721 1.00 1.32 H ATOM 17 N PHE A 2 -7.926 -0.033 3.079 1.00 0.25 N ATOM 18 CA PHE A 2 -6.557 0.128 3.526 1.00 0.26 C ATOM 19 C PHE A 2 -5.880 1.209 2.695 1.00 0.26 C ATOM 20 O PHE A 2 -5.760 1.069 1.479 1.00 0.37 O ATOM 21 CB PHE A 2 -5.792 -1.189 3.391 1.00 0.34 C ATOM 22 CG PHE A 2 -6.476 -2.351 4.052 1.00 0.32 C ATOM 23 CD1 PHE A 2 -7.291 -3.200 3.319 1.00 0.31 C ATOM 24 CD2 PHE A 2 -6.306 -2.591 5.404 1.00 0.39 C ATOM 25 CE1 PHE A 2 -7.922 -4.268 3.924 1.00 0.32 C ATOM 26 CE2 PHE A 2 -6.935 -3.658 6.014 1.00 0.41 C ATOM 27 CZ PHE A 2 -7.745 -4.497 5.274 1.00 0.35 C ATOM 28 H PHE A 2 -8.093 -0.422 2.192 1.00 0.33 H ATOM 29 HA PHE A 2 -6.574 0.428 4.561 1.00 0.30 H ATOM 30 HB2 PHE A 2 -5.673 -1.423 2.344 1.00 0.39 H ATOM 31 HB3 PHE A 2 -4.818 -1.076 3.844 1.00 0.41 H ATOM 32 HD1 PHE A 2 -7.430 -3.021 2.262 1.00 0.36 H ATOM 33 HD2 PHE A 2 -5.674 -1.934 5.982 1.00 0.46 H ATOM 34 HE1 PHE A 2 -8.552 -4.923 3.342 1.00 0.36 H ATOM 35 HE2 PHE A 2 -6.795 -3.837 7.070 1.00 0.51 H ATOM 36 HZ PHE A 2 -8.237 -5.331 5.748 1.00 0.39 H HETATM 37 N 9KK A 3 -5.436 2.303 3.322 1.00 0.29 N HETATM 38 CE 9KK A 3 -5.763 8.363 2.094 1.00 0.99 C HETATM 39 CD 9KK A 3 -6.180 7.085 2.785 1.00 0.93 C HETATM 40 CG 9KK A 3 -5.283 5.938 2.354 1.00 0.85 C HETATM 41 CB 9KK A 3 -5.660 4.644 3.055 1.00 0.45 C HETATM 42 CA 9KK A 3 -4.879 3.424 2.556 1.00 0.31 C HETATM 43 CM 9KK A 3 -5.486 2.372 4.799 1.00 0.43 C HETATM 44 C 9KK A 3 -3.383 3.611 2.770 1.00 0.39 C HETATM 45 O 9KK A 3 -2.879 3.557 3.896 1.00 0.68 O HETATM 46 HE3 9KK A 3 -5.831 8.231 1.025 1.00 1.42 H HETATM 47 HE2 9KK A 3 -6.415 9.168 2.399 1.00 1.57 H HETATM 48 HE1 9KK A 3 -4.745 8.601 2.363 1.00 1.25 H HETATM 49 HD2 9KK A 3 -6.100 7.224 3.853 1.00 1.00 H HETATM 50 HD3 9KK A 3 -7.203 6.863 2.516 1.00 0.93 H HETATM 51 HG2 9KK A 3 -5.375 5.798 1.286 1.00 1.24 H HETATM 52 HG3 9KK A 3 -4.260 6.182 2.599 1.00 1.05 H HETATM 53 HB2 9KK A 3 -5.476 4.768 4.111 1.00 0.54 H HETATM 54 HB3 9KK A 3 -6.714 4.468 2.901 1.00 0.83 H HETATM 55 HA 9KK A 3 -5.064 3.296 1.499 1.00 0.24 H HETATM 56 HM1 9KK A 3 -4.876 3.194 5.140 1.00 1.10 H HETATM 57 HM3 9KK A 3 -6.505 2.525 5.119 1.00 0.98 H HETATM 58 HM2 9KK A 3 -5.108 1.447 5.214 1.00 1.22 H ATOM 59 N CYS A 4 -2.677 3.822 1.674 1.00 0.22 N ATOM 60 CA CYS A 4 -1.256 4.080 1.722 1.00 0.30 C ATOM 61 C CYS A 4 -1.000 5.498 2.215 1.00 0.67 C ATOM 62 O CYS A 4 -1.176 6.466 1.473 1.00 1.71 O ATOM 63 CB CYS A 4 -0.623 3.882 0.347 1.00 0.29 C ATOM 64 SG CYS A 4 1.132 4.285 0.318 1.00 0.40 S ATOM 65 H CYS A 4 -3.134 3.806 0.805 1.00 0.25 H ATOM 66 HA CYS A 4 -0.816 3.381 2.417 1.00 0.57 H ATOM 67 HB2 CYS A 4 -0.732 2.848 0.048 1.00 0.50 H ATOM 68 HB3 CYS A 4 -1.121 4.515 -0.371 1.00 0.45 H ATOM 69 N THR A 5 -0.583 5.615 3.464 1.00 0.40 N ATOM 70 CA THR A 5 -0.341 6.909 4.074 1.00 0.47 C ATOM 71 C THR A 5 1.126 7.315 3.941 1.00 0.41 C ATOM 72 O THR A 5 1.761 7.728 4.911 1.00 0.54 O ATOM 73 CB THR A 5 -0.748 6.888 5.559 1.00 0.82 C ATOM 74 OG1 THR A 5 -0.245 5.698 6.185 1.00 1.39 O ATOM 75 CG2 THR A 5 -2.261 6.938 5.706 1.00 1.47 C ATOM 76 H THR A 5 -0.435 4.804 3.997 1.00 1.12 H ATOM 77 HA THR A 5 -0.956 7.638 3.563 1.00 0.62 H ATOM 78 HB THR A 5 -0.323 7.753 6.050 1.00 1.13 H ATOM 79 HG1 THR A 5 -0.977 5.089 6.353 1.00 1.89 H ATOM 80 HG21 THR A 5 -2.636 7.846 5.256 1.00 1.77 H ATOM 81 HG22 THR A 5 -2.522 6.919 6.753 1.00 2.12 H ATOM 82 HG23 THR A 5 -2.698 6.084 5.209 1.00 1.94 H ATOM 83 N TRP A 6 1.662 7.180 2.736 1.00 0.37 N ATOM 84 CA TRP A 6 3.046 7.535 2.471 1.00 0.47 C ATOM 85 C TRP A 6 3.141 9.011 2.099 1.00 0.61 C ATOM 86 O TRP A 6 2.211 9.566 1.517 1.00 0.63 O ATOM 87 CB TRP A 6 3.606 6.658 1.348 1.00 0.47 C ATOM 88 CG TRP A 6 5.078 6.820 1.115 1.00 0.60 C ATOM 89 CD1 TRP A 6 5.682 7.715 0.284 1.00 0.73 C ATOM 90 CD2 TRP A 6 6.127 6.053 1.710 1.00 0.67 C ATOM 91 NE1 TRP A 6 7.045 7.557 0.330 1.00 0.85 N ATOM 92 CE2 TRP A 6 7.343 6.540 1.198 1.00 0.82 C ATOM 93 CE3 TRP A 6 6.155 5.004 2.628 1.00 0.68 C ATOM 94 CZ2 TRP A 6 8.575 6.009 1.576 1.00 0.94 C ATOM 95 CZ3 TRP A 6 7.375 4.477 3.001 1.00 0.82 C ATOM 96 CH2 TRP A 6 8.569 4.980 2.476 1.00 0.94 C ATOM 97 H TRP A 6 1.109 6.841 2.004 1.00 0.38 H ATOM 98 HA TRP A 6 3.614 7.363 3.372 1.00 0.51 H ATOM 99 HB2 TRP A 6 3.424 5.623 1.588 1.00 0.43 H ATOM 100 HB3 TRP A 6 3.098 6.899 0.429 1.00 0.47 H ATOM 101 HD1 TRP A 6 5.154 8.441 -0.312 1.00 0.78 H ATOM 102 HE1 TRP A 6 7.697 8.084 -0.178 1.00 0.97 H ATOM 103 HE3 TRP A 6 5.244 4.601 3.044 1.00 0.61 H ATOM 104 HZ2 TRP A 6 9.506 6.386 1.180 1.00 1.06 H ATOM 105 HZ3 TRP A 6 7.413 3.663 3.708 1.00 0.88 H ATOM 106 HH2 TRP A 6 9.499 4.535 2.796 1.00 1.05 H HETATM 107 N AIB A 7 4.259 9.631 2.459 1.00 0.79 N HETATM 108 CA AIB A 7 4.522 11.044 2.155 1.00 0.99 C HETATM 109 C AIB A 7 4.429 11.278 0.637 1.00 0.94 C HETATM 110 O AIB A 7 5.258 10.781 -0.125 1.00 0.94 O HETATM 111 CB1 AIB A 7 5.915 11.402 2.632 1.00 1.21 C HETATM 112 CB2 AIB A 7 3.545 11.932 2.905 1.00 1.13 C HETATM 113 H AIB A 7 4.939 9.121 2.950 1.00 0.83 H HETATM 114 HB11 AIB A 7 6.110 12.443 2.421 1.00 1.51 H HETATM 115 HB12 AIB A 7 6.640 10.789 2.117 1.00 1.83 H HETATM 116 HB13 AIB A 7 5.986 11.229 3.696 1.00 1.48 H HETATM 117 HB21 AIB A 7 3.678 11.795 3.967 1.00 1.35 H HETATM 118 HB22 AIB A 7 2.536 11.666 2.631 1.00 1.60 H HETATM 119 HB23 AIB A 7 3.728 12.966 2.648 1.00 1.63 H ATOM 120 N GLY A 8 3.424 12.029 0.203 1.00 0.95 N ATOM 121 CA GLY A 8 3.274 12.315 -1.209 1.00 0.93 C ATOM 122 C GLY A 8 2.378 11.312 -1.902 1.00 0.76 C ATOM 123 O GLY A 8 2.177 11.374 -3.116 1.00 0.83 O ATOM 124 H GLY A 8 2.775 12.388 0.844 1.00 1.01 H ATOM 125 HA2 GLY A 8 2.849 13.302 -1.322 1.00 1.03 H ATOM 126 HA3 GLY A 8 4.248 12.294 -1.675 1.00 0.99 H ATOM 127 N CYS A 9 1.835 10.390 -1.129 1.00 0.61 N ATOM 128 CA CYS A 9 0.976 9.356 -1.663 1.00 0.55 C ATOM 129 C CYS A 9 -0.369 9.385 -0.944 1.00 0.92 C ATOM 130 O CYS A 9 -0.592 10.219 -0.064 1.00 1.94 O ATOM 131 CB CYS A 9 1.645 7.994 -1.488 1.00 0.42 C ATOM 132 SG CYS A 9 1.013 6.687 -2.566 1.00 0.36 S ATOM 133 H CYS A 9 2.013 10.409 -0.162 1.00 0.60 H ATOM 134 HA CYS A 9 0.825 9.552 -2.713 1.00 0.54 H ATOM 135 HB2 CYS A 9 2.701 8.092 -1.682 1.00 0.40 H ATOM 136 HB3 CYS A 9 1.503 7.670 -0.469 1.00 0.62 H ATOM 137 N GLY A 10 -1.256 8.478 -1.316 1.00 0.51 N ATOM 138 CA GLY A 10 -2.574 8.433 -0.717 1.00 0.65 C ATOM 139 C GLY A 10 -3.540 7.604 -1.537 1.00 0.58 C ATOM 140 O GLY A 10 -4.583 8.092 -1.971 1.00 0.90 O ATOM 141 H GLY A 10 -1.011 7.830 -2.009 1.00 1.03 H ATOM 142 HA2 GLY A 10 -2.494 8.007 0.273 1.00 0.78 H ATOM 143 HA3 GLY A 10 -2.956 9.439 -0.638 1.00 0.82 H ATOM 144 N LYS A 11 -3.182 6.347 -1.753 1.00 0.37 N ATOM 145 CA LYS A 11 -3.984 5.441 -2.567 1.00 0.28 C ATOM 146 C LYS A 11 -4.757 4.473 -1.670 1.00 0.22 C ATOM 147 O LYS A 11 -4.258 4.080 -0.617 1.00 0.28 O ATOM 148 CB LYS A 11 -3.075 4.667 -3.531 1.00 0.36 C ATOM 149 CG LYS A 11 -2.270 5.557 -4.472 1.00 0.42 C ATOM 150 CD LYS A 11 -3.172 6.399 -5.364 1.00 0.67 C ATOM 151 CE LYS A 11 -2.367 7.273 -6.316 1.00 1.05 C ATOM 152 NZ LYS A 11 -1.523 6.473 -7.244 1.00 1.40 N1+ ATOM 153 H LYS A 11 -2.364 6.010 -1.342 1.00 0.51 H ATOM 154 HA LYS A 11 -4.687 6.032 -3.132 1.00 0.30 H ATOM 155 HB2 LYS A 11 -2.381 4.078 -2.951 1.00 0.43 H ATOM 156 HB3 LYS A 11 -3.683 4.003 -4.130 1.00 0.39 H ATOM 157 HG2 LYS A 11 -1.651 6.216 -3.883 1.00 0.81 H ATOM 158 HG3 LYS A 11 -1.646 4.932 -5.093 1.00 0.69 H ATOM 159 HD2 LYS A 11 -3.804 5.744 -5.943 1.00 0.84 H ATOM 160 HD3 LYS A 11 -3.784 7.035 -4.742 1.00 1.18 H ATOM 161 HE2 LYS A 11 -3.052 7.872 -6.898 1.00 1.67 H ATOM 162 HE3 LYS A 11 -1.731 7.922 -5.735 1.00 1.72 H ATOM 163 HZ1 LYS A 11 -0.813 5.930 -6.710 1.00 1.79 H ATOM 164 HZ2 LYS A 11 -1.028 7.102 -7.908 1.00 1.89 H ATOM 165 HZ3 LYS A 11 -2.112 5.808 -7.788 1.00 1.93 H HETATM 166 N MMO A 12 -5.981 4.072 -2.063 1.00 0.18 N HETATM 167 CA MMO A 12 -6.803 3.193 -1.209 1.00 0.17 C HETATM 168 C MMO A 12 -7.089 1.835 -1.849 1.00 0.14 C HETATM 169 O MMO A 12 -7.532 1.742 -2.997 1.00 0.25 O HETATM 170 CB MMO A 12 -8.109 3.964 -0.993 1.00 0.28 C HETATM 171 CG MMO A 12 -7.935 5.301 -0.289 1.00 0.38 C HETATM 172 CD MMO A 12 -9.275 5.979 -0.058 1.00 0.55 C HETATM 173 NE MMO A 12 -9.124 7.321 0.501 1.00 1.09 N HETATM 174 CZ MMO A 12 -9.902 7.818 1.461 1.00 1.58 C HETATM 175 NH2 MMO A 12 -10.869 7.078 1.987 1.00 1.59 N HETATM 176 NH1 MMO A 12 -9.710 9.055 1.897 1.00 2.55 N HETATM 177 CN MMO A 12 -6.501 4.505 -3.380 1.00 0.27 C HETATM 178 HA MMO A 12 -6.324 3.029 -0.254 1.00 0.21 H HETATM 179 HCB1 MMO A 12 -8.773 3.355 -0.397 1.00 0.32 H HETATM 180 HCB2 MMO A 12 -8.568 4.145 -1.954 1.00 0.31 H HETATM 181 HCG1 MMO A 12 -7.315 5.941 -0.899 1.00 0.37 H HETATM 182 HCG2 MMO A 12 -7.456 5.134 0.664 1.00 0.41 H HETATM 183 HCD1 MMO A 12 -9.852 5.378 0.628 1.00 1.24 H HETATM 184 HCD2 MMO A 12 -9.795 6.049 -0.999 1.00 1.20 H HETATM 185 HH21 MMO A 12 -11.021 6.139 1.666 1.00 1.64 H HETATM 186 HH22 MMO A 12 -11.455 7.454 2.709 1.00 2.05 H HETATM 187 HH11 MMO A 12 -10.298 9.430 2.620 1.00 2.91 H HETATM 188 HC1 MMO A 12 -6.901 5.502 -3.300 1.00 1.00 H HETATM 189 HC2 MMO A 12 -7.279 3.827 -3.698 1.00 1.08 H HETATM 190 HC3 MMO A 12 -5.701 4.496 -4.104 1.00 1.02 H HETATM 191 HE MMO A 12 -8.409 7.887 0.126 1.00 1.66 H HETATM 192 HH12 MMO A 12 -8.983 9.624 1.505 1.00 3.06 H ATOM 193 N PHE A 13 -6.850 0.784 -1.085 1.00 0.13 N ATOM 194 CA PHE A 13 -6.987 -0.578 -1.575 1.00 0.12 C ATOM 195 C PHE A 13 -7.943 -1.370 -0.691 1.00 0.16 C ATOM 196 O PHE A 13 -8.066 -1.100 0.502 1.00 0.32 O ATOM 197 CB PHE A 13 -5.612 -1.249 -1.609 1.00 0.18 C ATOM 198 CG PHE A 13 -4.625 -0.523 -2.475 1.00 0.23 C ATOM 199 CD1 PHE A 13 -4.472 -0.858 -3.809 1.00 0.27 C ATOM 200 CD2 PHE A 13 -3.862 0.509 -1.954 1.00 0.28 C ATOM 201 CE1 PHE A 13 -3.577 -0.176 -4.608 1.00 0.33 C ATOM 202 CE2 PHE A 13 -2.964 1.191 -2.746 1.00 0.35 C ATOM 203 CZ PHE A 13 -2.821 0.851 -4.075 1.00 0.36 C ATOM 204 H PHE A 13 -6.568 0.927 -0.156 1.00 0.24 H ATOM 205 HA PHE A 13 -7.385 -0.534 -2.577 1.00 0.13 H ATOM 206 HB2 PHE A 13 -5.211 -1.286 -0.608 1.00 0.22 H ATOM 207 HB3 PHE A 13 -5.715 -2.253 -1.990 1.00 0.19 H ATOM 208 HD1 PHE A 13 -5.063 -1.659 -4.224 1.00 0.28 H ATOM 209 HD2 PHE A 13 -3.976 0.779 -0.915 1.00 0.30 H ATOM 210 HE1 PHE A 13 -3.465 -0.446 -5.646 1.00 0.38 H ATOM 211 HE2 PHE A 13 -2.373 1.992 -2.324 1.00 0.41 H ATOM 212 HZ PHE A 13 -2.121 1.388 -4.697 1.00 0.41 H ATOM 213 N THR A 14 -8.620 -2.342 -1.280 1.00 0.20 N ATOM 214 CA THR A 14 -9.586 -3.150 -0.547 1.00 0.26 C ATOM 215 C THR A 14 -8.926 -4.417 -0.002 1.00 0.18 C ATOM 216 O THR A 14 -9.557 -5.220 0.684 1.00 0.32 O ATOM 217 CB THR A 14 -10.804 -3.512 -1.435 1.00 0.46 C ATOM 218 OG1 THR A 14 -11.764 -4.272 -0.687 1.00 1.31 O ATOM 219 CG2 THR A 14 -10.380 -4.300 -2.668 1.00 0.93 C ATOM 220 H THR A 14 -8.469 -2.523 -2.235 1.00 0.30 H ATOM 221 HA THR A 14 -9.940 -2.563 0.287 1.00 0.34 H ATOM 222 HB THR A 14 -11.271 -2.595 -1.762 1.00 1.25 H ATOM 223 HG1 THR A 14 -11.540 -4.229 0.255 1.00 1.99 H ATOM 224 HG21 THR A 14 -11.251 -4.549 -3.255 1.00 1.54 H ATOM 225 HG22 THR A 14 -9.882 -5.207 -2.363 1.00 1.62 H ATOM 226 HG23 THR A 14 -9.705 -3.702 -3.262 1.00 1.52 H ATOM 227 N ARG A 15 -7.646 -4.580 -0.303 1.00 0.16 N ATOM 228 CA ARG A 15 -6.879 -5.709 0.195 1.00 0.16 C ATOM 229 C ARG A 15 -5.584 -5.225 0.822 1.00 0.14 C ATOM 230 O ARG A 15 -4.804 -4.513 0.187 1.00 0.14 O ATOM 231 CB ARG A 15 -6.565 -6.692 -0.932 1.00 0.29 C ATOM 232 CG ARG A 15 -7.788 -7.383 -1.513 1.00 0.31 C ATOM 233 CD ARG A 15 -7.392 -8.380 -2.586 1.00 0.92 C ATOM 234 NE ARG A 15 -8.543 -9.081 -3.152 1.00 1.27 N ATOM 235 CZ ARG A 15 -8.444 -10.071 -4.037 1.00 1.98 C ATOM 236 NH1 ARG A 15 -7.249 -10.473 -4.455 1.00 2.51 N1+ ATOM 237 NH2 ARG A 15 -9.540 -10.655 -4.507 1.00 2.55 N ATOM 238 H ARG A 15 -7.202 -3.917 -0.872 1.00 0.29 H ATOM 239 HA ARG A 15 -7.469 -6.206 0.948 1.00 0.19 H ATOM 240 HB2 ARG A 15 -6.072 -6.159 -1.728 1.00 0.36 H ATOM 241 HB3 ARG A 15 -5.897 -7.451 -0.553 1.00 0.38 H ATOM 242 HG2 ARG A 15 -8.308 -7.903 -0.723 1.00 0.57 H ATOM 243 HG3 ARG A 15 -8.436 -6.639 -1.948 1.00 0.65 H ATOM 244 HD2 ARG A 15 -6.883 -7.850 -3.376 1.00 1.45 H ATOM 245 HD3 ARG A 15 -6.719 -9.105 -2.152 1.00 1.50 H ATOM 246 HE ARG A 15 -9.439 -8.795 -2.854 1.00 1.47 H ATOM 247 HH11 ARG A 15 -6.417 -10.032 -4.105 1.00 2.52 H ATOM 248 HH12 ARG A 15 -7.169 -11.218 -5.123 1.00 3.13 H ATOM 249 HH21 ARG A 15 -10.447 -10.350 -4.196 1.00 2.68 H ATOM 250 HH22 ARG A 15 -9.469 -11.402 -5.167 1.00 3.07 H ATOM 251 N SER A 16 -5.366 -5.620 2.070 1.00 0.15 N ATOM 252 CA SER A 16 -4.174 -5.230 2.808 1.00 0.17 C ATOM 253 C SER A 16 -2.943 -5.848 2.162 1.00 0.15 C ATOM 254 O SER A 16 -1.863 -5.261 2.162 1.00 0.17 O ATOM 255 CB SER A 16 -4.290 -5.660 4.275 1.00 0.24 C ATOM 256 OG SER A 16 -3.225 -5.141 5.054 1.00 1.27 O ATOM 257 H SER A 16 -6.023 -6.206 2.507 1.00 0.17 H ATOM 258 HA SER A 16 -4.089 -4.156 2.758 1.00 0.18 H ATOM 259 HB2 SER A 16 -5.222 -5.298 4.681 1.00 1.04 H ATOM 260 HB3 SER A 16 -4.268 -6.737 4.334 1.00 1.05 H ATOM 261 HG SER A 16 -2.531 -5.805 5.126 1.00 1.61 H HETATM 262 OE1 B3D A 17 0.138 -9.205 3.005 1.00 2.20 O HETATM 263 CD B3D A 17 -1.087 -8.967 2.940 1.00 1.42 C HETATM 264 OE2 B3D A 17 -1.765 -8.646 3.943 1.00 2.21 O HETATM 265 CG B3D A 17 -1.777 -9.077 1.592 1.00 0.28 C HETATM 266 CB B3D A 17 -2.032 -7.708 0.936 1.00 0.19 C HETATM 267 N B3D A 17 -3.112 -7.040 1.608 1.00 0.15 N HETATM 268 CA B3D A 17 -2.379 -7.968 -0.530 1.00 0.16 C HETATM 269 C B3D A 17 -1.916 -6.873 -1.454 1.00 0.15 C HETATM 270 O B3D A 17 -0.718 -6.679 -1.674 1.00 0.20 O HETATM 271 HG3 B3D A 17 -2.719 -9.580 1.735 1.00 1.07 H HETATM 272 HG2 B3D A 17 -1.156 -9.671 0.939 1.00 0.93 H HETATM 273 HB B3D A 17 -1.161 -7.027 1.007 1.00 0.20 H HETATM 274 H B3D A 17 -3.990 -7.478 1.666 1.00 0.16 H HETATM 275 HA1 B3D A 17 -1.915 -8.890 -0.840 1.00 0.22 H HETATM 276 HA2 B3D A 17 -3.451 -8.060 -0.625 1.00 0.15 H ATOM 277 N GLU A 18 -2.884 -6.122 -1.972 1.00 0.14 N ATOM 278 CA GLU A 18 -2.611 -5.056 -2.922 1.00 0.21 C ATOM 279 C GLU A 18 -1.986 -3.848 -2.243 1.00 0.15 C ATOM 280 O GLU A 18 -1.169 -3.159 -2.842 1.00 0.18 O ATOM 281 CB GLU A 18 -3.891 -4.635 -3.638 1.00 0.39 C ATOM 282 CG GLU A 18 -4.469 -5.716 -4.531 1.00 0.56 C ATOM 283 CD GLU A 18 -3.443 -6.291 -5.485 1.00 1.75 C ATOM 284 OE1 GLU A 18 -3.305 -7.530 -5.537 1.00 2.68 O ATOM 285 OE2 GLU A 18 -2.757 -5.509 -6.178 1.00 2.01 O1- ATOM 286 H GLU A 18 -3.808 -6.293 -1.705 1.00 0.13 H ATOM 287 HA GLU A 18 -1.916 -5.437 -3.652 1.00 0.29 H ATOM 288 HB2 GLU A 18 -4.633 -4.375 -2.898 1.00 0.42 H ATOM 289 HB3 GLU A 18 -3.682 -3.767 -4.246 1.00 0.44 H ATOM 290 HG2 GLU A 18 -4.846 -6.512 -3.910 1.00 0.84 H ATOM 291 HG3 GLU A 18 -5.278 -5.295 -5.106 1.00 0.95 H ATOM 292 N LEU A 19 -2.379 -3.584 -1.007 1.00 0.15 N ATOM 293 CA LEU A 19 -1.823 -2.466 -0.260 1.00 0.17 C ATOM 294 C LEU A 19 -0.343 -2.708 0.017 1.00 0.16 C ATOM 295 O LEU A 19 0.495 -1.866 -0.295 1.00 0.19 O ATOM 296 CB LEU A 19 -2.617 -2.260 1.045 1.00 0.22 C ATOM 297 CG LEU A 19 -2.205 -1.075 1.940 1.00 0.31 C ATOM 298 CD1 LEU A 19 -1.017 -1.434 2.817 1.00 0.69 C ATOM 299 CD2 LEU A 19 -1.894 0.163 1.109 1.00 0.86 C ATOM 300 H LEU A 19 -3.066 -4.147 -0.587 1.00 0.16 H ATOM 301 HA LEU A 19 -1.920 -1.582 -0.871 1.00 0.21 H ATOM 302 HB2 LEU A 19 -3.655 -2.131 0.782 1.00 0.26 H ATOM 303 HB3 LEU A 19 -2.529 -3.164 1.630 1.00 0.20 H ATOM 304 HG LEU A 19 -3.030 -0.834 2.592 1.00 0.82 H ATOM 305 HD11 LEU A 19 -1.281 -2.258 3.462 1.00 1.31 H ATOM 306 HD12 LEU A 19 -0.742 -0.580 3.417 1.00 1.20 H ATOM 307 HD13 LEU A 19 -0.183 -1.720 2.192 1.00 1.31 H ATOM 308 HD21 LEU A 19 -2.780 0.467 0.573 1.00 1.38 H ATOM 309 HD22 LEU A 19 -1.108 -0.062 0.404 1.00 1.53 H ATOM 310 HD23 LEU A 19 -1.576 0.964 1.759 1.00 1.36 H ATOM 311 N GLN A 20 -0.028 -3.866 0.583 1.00 0.16 N ATOM 312 CA GLN A 20 1.349 -4.200 0.922 1.00 0.21 C ATOM 313 C GLN A 20 2.203 -4.348 -0.331 1.00 0.16 C ATOM 314 O GLN A 20 3.263 -3.728 -0.444 1.00 0.16 O ATOM 315 CB GLN A 20 1.411 -5.481 1.755 1.00 0.30 C ATOM 316 CG GLN A 20 2.805 -5.799 2.279 1.00 0.37 C ATOM 317 CD GLN A 20 3.383 -4.679 3.126 1.00 1.09 C ATOM 318 OE1 GLN A 20 3.178 -4.637 4.339 1.00 1.82 O ATOM 319 NE2 GLN A 20 4.106 -3.761 2.499 1.00 1.83 N ATOM 320 H GLN A 20 -0.743 -4.507 0.791 1.00 0.16 H ATOM 321 HA GLN A 20 1.746 -3.388 1.510 1.00 0.27 H ATOM 322 HB2 GLN A 20 0.745 -5.383 2.598 1.00 0.35 H ATOM 323 HB3 GLN A 20 1.083 -6.310 1.145 1.00 0.30 H ATOM 324 HG2 GLN A 20 2.752 -6.693 2.882 1.00 0.90 H ATOM 325 HG3 GLN A 20 3.461 -5.971 1.439 1.00 1.00 H ATOM 326 HE21 GLN A 20 4.229 -3.850 1.526 1.00 2.08 H ATOM 327 HE22 GLN A 20 4.493 -3.035 3.031 1.00 2.45 H HETATM 328 N HMR A 21 1.755 -5.166 -1.276 1.00 0.18 N HETATM 329 CA HMR A 21 2.503 -5.353 -2.491 1.00 0.19 C HETATM 330 CB HMR A 21 2.804 -6.845 -2.674 1.00 0.29 C HETATM 331 CG HMR A 21 3.601 -7.435 -1.526 1.00 0.51 C HETATM 332 CD HMR A 21 3.863 -8.919 -1.719 1.00 0.94 C HETATM 333 NE HMR A 21 4.618 -9.478 -0.601 1.00 1.75 N HETATM 334 CZ HMR A 21 4.857 -10.776 -0.434 1.00 2.14 C HETATM 335 NH1 HMR A 21 4.401 -11.658 -1.314 1.00 1.94 N HETATM 336 NH2 HMR A 21 5.546 -11.192 0.621 1.00 3.01 N HETATM 337 C HMR A 21 2.111 -3.515 -4.162 1.00 0.17 C HETATM 338 O HMR A 21 3.077 -3.332 -4.910 1.00 0.27 O HETATM 339 CH2 HMR A 21 1.712 -4.892 -3.711 1.00 0.16 C HETATM 340 H HMR A 21 0.902 -5.645 -1.148 1.00 0.22 H HETATM 341 HA HMR A 21 3.420 -4.743 -2.385 1.00 0.23 H HETATM 342 HB2 HMR A 21 3.365 -6.981 -3.585 1.00 0.35 H HETATM 343 HB3 HMR A 21 1.870 -7.380 -2.750 1.00 0.29 H HETATM 344 HG2 HMR A 21 3.046 -7.292 -0.613 1.00 0.69 H HETATM 345 HG3 HMR A 21 4.548 -6.918 -1.457 1.00 0.87 H HETATM 346 HD2 HMR A 21 4.427 -9.060 -2.629 1.00 1.35 H HETATM 347 HD3 HMR A 21 2.918 -9.434 -1.795 1.00 1.23 H HETATM 348 HE HMR A 21 4.968 -8.843 0.065 1.00 2.22 H HETATM 349 HH1 HMR A 21 3.873 -11.351 -2.109 1.00 1.68 H HETATM 350 HH21 HMR A 21 5.728 -12.169 0.751 1.00 3.31 H HETATM 351 HH22 HMR A 21 5.887 -10.531 1.293 1.00 3.45 H HETATM 352 HC1 HMR A 21 1.886 -5.581 -4.520 1.00 0.19 H HETATM 353 HC2 HMR A 21 0.659 -4.879 -3.468 1.00 0.14 H HETATM 354 HH2 HMR A 21 4.581 -12.637 -1.187 1.00 2.33 H ATOM 355 N HIS A 22 1.360 -2.537 -3.680 1.00 0.15 N ATOM 356 CA HIS A 22 1.616 -1.141 -3.964 1.00 0.15 C ATOM 357 C HIS A 22 2.760 -0.616 -3.100 1.00 0.13 C ATOM 358 O HIS A 22 3.735 -0.081 -3.629 1.00 0.12 O ATOM 359 CB HIS A 22 0.341 -0.315 -3.732 1.00 0.20 C ATOM 360 CG HIS A 22 0.585 1.160 -3.641 1.00 0.16 C ATOM 361 ND1 HIS A 22 0.462 2.052 -4.702 1.00 0.20 N ATOM 362 CD2 HIS A 22 1.015 1.890 -2.583 1.00 0.17 C ATOM 363 CE1 HIS A 22 0.834 3.267 -4.256 1.00 0.21 C ATOM 364 NE2 HIS A 22 1.169 3.187 -2.993 1.00 0.18 N ATOM 365 H HIS A 22 0.595 -2.768 -3.110 1.00 0.18 H ATOM 366 HA HIS A 22 1.901 -1.059 -5.000 1.00 0.16 H ATOM 367 HB2 HIS A 22 -0.345 -0.488 -4.546 1.00 0.25 H ATOM 368 HB3 HIS A 22 -0.120 -0.635 -2.808 1.00 0.25 H ATOM 369 HD1 HIS A 22 0.158 1.836 -5.612 1.00 0.24 H ATOM 370 HD2 HIS A 22 1.193 1.526 -1.582 1.00 0.21 H ATOM 371 HE1 HIS A 22 0.847 4.167 -4.849 1.00 0.27 H ATOM 372 N LYS A 23 2.632 -0.780 -1.773 1.00 0.18 N ATOM 373 CA LYS A 23 3.606 -0.231 -0.824 1.00 0.19 C ATOM 374 C LYS A 23 5.008 -0.625 -1.250 1.00 0.17 C ATOM 375 O LYS A 23 5.929 0.197 -1.260 1.00 0.18 O ATOM 376 CB LYS A 23 3.322 -0.724 0.599 1.00 0.27 C ATOM 377 CG LYS A 23 3.981 0.116 1.683 1.00 0.73 C ATOM 378 CD LYS A 23 3.255 1.442 1.876 1.00 0.61 C ATOM 379 CE LYS A 23 3.962 2.331 2.890 1.00 0.85 C ATOM 380 NZ LYS A 23 3.971 1.738 4.255 1.00 1.01 N1+ ATOM 381 H LYS A 23 1.863 -1.285 -1.426 1.00 0.22 H ATOM 382 HA LYS A 23 3.526 0.844 -0.853 1.00 0.20 H ATOM 383 HB2 LYS A 23 2.254 -0.711 0.766 1.00 0.78 H ATOM 384 HB3 LYS A 23 3.679 -1.739 0.693 1.00 0.73 H ATOM 385 HG2 LYS A 23 3.966 -0.430 2.613 1.00 1.26 H ATOM 386 HG3 LYS A 23 5.002 0.316 1.395 1.00 1.25 H ATOM 387 HD2 LYS A 23 3.211 1.958 0.929 1.00 0.85 H ATOM 388 HD3 LYS A 23 2.250 1.242 2.224 1.00 0.88 H ATOM 389 HE2 LYS A 23 4.983 2.477 2.570 1.00 1.56 H ATOM 390 HE3 LYS A 23 3.458 3.286 2.927 1.00 1.39 H ATOM 391 HZ1 LYS A 23 4.435 2.387 4.923 1.00 1.57 H ATOM 392 HZ2 LYS A 23 4.491 0.838 4.253 1.00 1.30 H ATOM 393 HZ3 LYS A 23 2.997 1.564 4.577 1.00 1.62 H HETATM 394 N HMR A 24 5.157 -1.884 -1.623 1.00 0.18 N HETATM 395 CA HMR A 24 6.414 -2.372 -2.106 1.00 0.20 C HETATM 396 CB HMR A 24 6.569 -3.843 -1.699 1.00 0.30 C HETATM 397 CG HMR A 24 7.927 -4.433 -2.021 1.00 0.34 C HETATM 398 CD HMR A 24 7.892 -5.950 -1.975 1.00 0.50 C HETATM 399 NE HMR A 24 7.057 -6.506 -3.038 1.00 0.95 N HETATM 400 CZ HMR A 24 6.904 -7.810 -3.260 1.00 1.35 C HETATM 401 NH1 HMR A 24 6.131 -8.226 -4.254 1.00 1.85 N HETATM 402 NH2 HMR A 24 7.522 -8.696 -2.489 1.00 1.46 N HETATM 403 C HMR A 24 7.210 -1.149 -4.199 1.00 0.18 C HETATM 404 O HMR A 24 8.426 -1.224 -4.394 1.00 0.27 O HETATM 405 CH2 HMR A 24 6.433 -2.315 -3.638 1.00 0.21 C HETATM 406 H HMR A 24 4.391 -2.498 -1.557 1.00 0.21 H HETATM 407 HA HMR A 24 7.199 -1.723 -1.681 1.00 0.21 H HETATM 408 HB2 HMR A 24 5.817 -4.427 -2.209 1.00 0.35 H HETATM 409 HB3 HMR A 24 6.412 -3.926 -0.634 1.00 0.37 H HETATM 410 HG2 HMR A 24 8.645 -4.074 -1.299 1.00 0.40 H HETATM 411 HG3 HMR A 24 8.218 -4.120 -3.009 1.00 0.38 H HETATM 412 HD2 HMR A 24 7.495 -6.259 -1.020 1.00 0.63 H HETATM 413 HD3 HMR A 24 8.896 -6.326 -2.087 1.00 0.77 H HETATM 414 HE HMR A 24 6.579 -5.868 -3.620 1.00 1.18 H HETATM 415 HH1 HMR A 24 5.661 -7.561 -4.841 1.00 2.03 H HETATM 416 HH21 HMR A 24 8.108 -8.391 -1.736 1.00 1.35 H HETATM 417 HH22 HMR A 24 7.406 -9.678 -2.658 1.00 1.83 H HETATM 418 HC1 HMR A 24 6.872 -3.224 -4.014 1.00 0.28 H HETATM 419 HC2 HMR A 24 5.417 -2.242 -3.995 1.00 0.23 H HETATM 420 HH2 HMR A 24 6.012 -9.210 -4.426 1.00 2.15 H ATOM 421 N THR A 25 6.498 -0.053 -4.456 1.00 0.16 N ATOM 422 CA THR A 25 7.088 1.116 -5.093 1.00 0.23 C ATOM 423 C THR A 25 7.841 1.983 -4.089 1.00 0.22 C ATOM 424 O THR A 25 8.799 2.663 -4.449 1.00 0.34 O ATOM 425 CB THR A 25 6.026 1.970 -5.831 1.00 0.34 C ATOM 426 OG1 THR A 25 6.647 3.095 -6.470 1.00 1.33 O ATOM 427 CG2 THR A 25 4.944 2.469 -4.883 1.00 1.09 C ATOM 428 H THR A 25 5.545 -0.035 -4.208 1.00 0.17 H ATOM 429 HA THR A 25 7.793 0.760 -5.827 1.00 0.30 H ATOM 430 HB THR A 25 5.562 1.354 -6.587 1.00 0.94 H ATOM 431 HG1 THR A 25 7.585 3.126 -6.225 1.00 1.98 H ATOM 432 HG21 THR A 25 4.426 1.626 -4.451 1.00 1.66 H ATOM 433 HG22 THR A 25 4.240 3.079 -5.430 1.00 1.47 H ATOM 434 HG23 THR A 25 5.396 3.056 -4.099 1.00 1.67 H ATOM 435 N HIS A 26 7.417 1.959 -2.835 1.00 0.20 N ATOM 436 CA HIS A 26 8.077 2.752 -1.810 1.00 0.25 C ATOM 437 C HIS A 26 9.136 1.911 -1.114 1.00 0.30 C ATOM 438 O HIS A 26 10.304 2.295 -1.036 1.00 0.38 O ATOM 439 CB HIS A 26 7.082 3.271 -0.767 1.00 0.25 C ATOM 440 CG HIS A 26 5.878 3.968 -1.323 1.00 0.24 C ATOM 441 ND1 HIS A 26 5.915 5.111 -2.121 1.00 0.29 N ATOM 442 CD2 HIS A 26 4.569 3.682 -1.142 1.00 0.25 C ATOM 443 CE1 HIS A 26 4.639 5.471 -2.380 1.00 0.30 C ATOM 444 NE2 HIS A 26 3.821 4.628 -1.806 1.00 0.25 N ATOM 445 H HIS A 26 6.655 1.387 -2.588 1.00 0.24 H ATOM 446 HA HIS A 26 8.553 3.591 -2.295 1.00 0.31 H ATOM 447 HB2 HIS A 26 6.727 2.436 -0.180 1.00 0.27 H ATOM 448 HB3 HIS A 26 7.593 3.965 -0.114 1.00 0.28 H ATOM 449 HD1 HIS A 26 6.724 5.573 -2.436 1.00 0.33 H ATOM 450 HD2 HIS A 26 4.169 2.856 -0.575 1.00 0.28 H ATOM 451 HE1 HIS A 26 4.339 6.329 -2.962 1.00 0.37 H HETATM 452 CG B3T A 27 8.957 -0.726 1.330 1.00 0.60 C HETATM 453 OD1 B3T A 27 7.703 -1.322 0.987 1.00 0.76 O HETATM 454 CD2 B3T A 27 8.741 0.363 2.369 1.00 0.76 C HETATM 455 CB B3T A 27 9.625 -0.156 0.070 1.00 0.46 C HETATM 456 N B3T A 27 8.721 0.749 -0.624 1.00 0.36 N HETATM 457 CA B3T A 27 10.062 -1.292 -0.855 1.00 0.62 C HETATM 458 C B3T A 27 11.544 -1.601 -0.739 1.00 0.82 C HETATM 459 O B3T A 27 12.374 -0.694 -0.692 1.00 1.03 O HETATM 460 HG B3T A 27 9.602 -1.482 1.752 1.00 0.67 H HETATM 461 HOD1 B3T A 27 7.712 -2.254 1.249 1.00 1.25 H HETATM 462 H1D2 B3T A 27 8.271 -0.061 3.244 1.00 1.25 H HETATM 463 H2D2 B3T A 27 8.105 1.131 1.955 1.00 1.43 H HETATM 464 H3D2 B3T A 27 9.691 0.793 2.643 1.00 1.15 H HETATM 465 HB B3T A 27 10.495 0.409 0.371 1.00 0.52 H HETATM 466 HN B3T A 27 7.775 0.493 -0.728 1.00 0.39 H HETATM 467 HA B3T A 27 9.850 -1.017 -1.877 1.00 0.63 H HETATM 468 HAA B3T A 27 9.505 -2.182 -0.603 1.00 0.70 H ATOM 469 N GLY A 28 11.877 -2.885 -0.700 1.00 1.30 N ATOM 470 CA GLY A 28 13.266 -3.287 -0.596 1.00 1.53 C ATOM 471 C GLY A 28 13.497 -4.252 0.546 1.00 1.68 C ATOM 472 O GLY A 28 13.937 -5.383 0.336 1.00 2.18 O ATOM 473 H GLY A 28 11.176 -3.567 -0.743 1.00 1.67 H ATOM 474 HA2 GLY A 28 13.562 -3.761 -1.518 1.00 1.86 H ATOM 475 HA3 GLY A 28 13.875 -2.409 -0.442 1.00 1.58 H ATOM 476 N GLU A 29 13.198 -3.807 1.756 1.00 1.96 N ATOM 477 CA GLU A 29 13.343 -4.647 2.938 1.00 2.41 C ATOM 478 C GLU A 29 11.981 -5.155 3.395 1.00 2.39 C ATOM 479 O GLU A 29 11.861 -6.257 3.934 1.00 3.19 O ATOM 480 CB GLU A 29 14.015 -3.864 4.070 1.00 3.15 C ATOM 481 CG GLU A 29 14.305 -4.703 5.301 1.00 3.91 C ATOM 482 CD GLU A 29 14.893 -3.892 6.433 1.00 4.36 C ATOM 483 OE1 GLU A 29 14.131 -3.486 7.334 1.00 4.89 O ATOM 484 OE2 GLU A 29 16.121 -3.653 6.425 1.00 4.51 O1- ATOM 485 H GLU A 29 12.873 -2.886 1.859 1.00 2.25 H ATOM 486 HA GLU A 29 13.963 -5.491 2.674 1.00 2.64 H ATOM 487 HB2 GLU A 29 14.947 -3.459 3.709 1.00 3.38 H ATOM 488 HB3 GLU A 29 13.368 -3.051 4.362 1.00 3.49 H ATOM 489 HG2 GLU A 29 13.385 -5.151 5.640 1.00 4.30 H ATOM 490 HG3 GLU A 29 15.006 -5.480 5.033 1.00 4.26 H ATOM 491 N LYS A 30 10.958 -4.342 3.178 1.00 1.95 N ATOM 492 CA LYS A 30 9.606 -4.694 3.578 1.00 2.32 C ATOM 493 C LYS A 30 8.705 -4.810 2.356 1.00 2.89 C ATOM 494 O LYS A 30 8.109 -3.834 1.904 1.00 3.15 O ATOM 495 CB LYS A 30 9.053 -3.653 4.559 1.00 2.23 C ATOM 496 CG LYS A 30 7.687 -4.009 5.120 1.00 2.98 C ATOM 497 CD LYS A 30 7.224 -2.990 6.145 1.00 3.35 C ATOM 498 CE LYS A 30 5.857 -3.352 6.698 1.00 3.96 C ATOM 499 NZ LYS A 30 5.419 -2.414 7.763 1.00 4.54 N1+ ATOM 500 H LYS A 30 11.116 -3.481 2.733 1.00 1.83 H ATOM 501 HA LYS A 30 9.647 -5.655 4.071 1.00 2.86 H ATOM 502 HB2 LYS A 30 9.740 -3.550 5.384 1.00 2.41 H ATOM 503 HB3 LYS A 30 8.972 -2.703 4.050 1.00 2.30 H ATOM 504 HG2 LYS A 30 6.973 -4.039 4.312 1.00 3.30 H ATOM 505 HG3 LYS A 30 7.742 -4.981 5.590 1.00 3.48 H ATOM 506 HD2 LYS A 30 7.936 -2.958 6.957 1.00 3.50 H ATOM 507 HD3 LYS A 30 7.166 -2.020 5.672 1.00 3.54 H ATOM 508 HE2 LYS A 30 5.140 -3.326 5.892 1.00 4.07 H ATOM 509 HE3 LYS A 30 5.902 -4.351 7.106 1.00 4.35 H ATOM 510 HZ1 LYS A 30 6.062 -2.470 8.578 1.00 4.69 H ATOM 511 HZ2 LYS A 30 4.457 -2.656 8.082 1.00 4.86 H ATOM 512 HZ3 LYS A 30 5.416 -1.438 7.404 1.00 4.84 H HETATM 513 N NH2 A 31 8.614 -6.010 1.816 1.00 3.54 N HETATM 514 HN1 NH2 A 31 9.122 -6.742 2.230 1.00 3.61 H HETATM 515 HN2 NH2 A 31 8.039 -6.123 1.033 1.00 4.13 H TER 516 NH2 A 31 HETATM 517 ZN ZN A 101 1.826 4.667 -1.833 1.00 0.26 ZN