ATOM 1 N PRO A 1 -11.482 -0.250 4.075 1.00 0.94 N ATOM 2 CA PRO A 1 -10.379 -0.214 3.093 1.00 0.45 C ATOM 3 C PRO A 1 -9.053 0.037 3.798 1.00 0.37 C ATOM 4 O PRO A 1 -9.025 0.310 4.998 1.00 0.55 O ATOM 5 CB PRO A 1 -10.651 0.891 2.082 1.00 1.13 C ATOM 6 CG PRO A 1 -11.791 1.637 2.678 1.00 1.31 C ATOM 7 CD PRO A 1 -12.529 0.651 3.555 1.00 1.20 C ATOM 8 H2 PRO A 1 -11.050 0.002 4.980 1.00 1.42 H ATOM 9 H3 PRO A 1 -11.699 -1.268 4.188 1.00 1.38 H ATOM 10 HA PRO A 1 -10.336 -1.167 2.585 1.00 1.10 H ATOM 11 HB2 PRO A 1 -9.774 1.516 1.979 1.00 1.56 H ATOM 12 HB3 PRO A 1 -10.915 0.460 1.126 1.00 1.61 H ATOM 13 HG2 PRO A 1 -11.416 2.458 3.271 1.00 2.09 H ATOM 14 HG3 PRO A 1 -12.441 2.005 1.898 1.00 1.47 H ATOM 15 HD2 PRO A 1 -13.023 1.166 4.364 1.00 1.99 H ATOM 16 HD3 PRO A 1 -13.248 0.098 2.969 1.00 1.32 H ATOM 17 N PHE A 2 -7.963 -0.055 3.051 1.00 0.25 N ATOM 18 CA PHE A 2 -6.632 0.169 3.591 1.00 0.26 C ATOM 19 C PHE A 2 -5.942 1.272 2.796 1.00 0.26 C ATOM 20 O PHE A 2 -6.047 1.306 1.571 1.00 0.37 O ATOM 21 CB PHE A 2 -5.800 -1.117 3.517 1.00 0.34 C ATOM 22 CG PHE A 2 -6.449 -2.300 4.176 1.00 0.32 C ATOM 23 CD1 PHE A 2 -7.218 -3.184 3.438 1.00 0.31 C ATOM 24 CD2 PHE A 2 -6.293 -2.526 5.535 1.00 0.39 C ATOM 25 CE1 PHE A 2 -7.818 -4.272 4.042 1.00 0.32 C ATOM 26 CE2 PHE A 2 -6.890 -3.613 6.143 1.00 0.41 C ATOM 27 CZ PHE A 2 -7.644 -4.490 5.397 1.00 0.35 C ATOM 28 H PHE A 2 -8.056 -0.276 2.097 1.00 0.33 H ATOM 29 HA PHE A 2 -6.731 0.475 4.621 1.00 0.30 H ATOM 30 HB2 PHE A 2 -5.630 -1.366 2.480 1.00 0.39 H ATOM 31 HB3 PHE A 2 -4.850 -0.945 4.001 1.00 0.41 H ATOM 32 HD1 PHE A 2 -7.344 -3.017 2.378 1.00 0.36 H ATOM 33 HD2 PHE A 2 -5.696 -1.844 6.122 1.00 0.46 H ATOM 34 HE1 PHE A 2 -8.416 -4.953 3.456 1.00 0.36 H ATOM 35 HE2 PHE A 2 -6.759 -3.779 7.201 1.00 0.51 H ATOM 36 HZ PHE A 2 -8.107 -5.341 5.871 1.00 0.39 H HETATM 37 N 9KK A 3 -5.238 2.197 3.457 1.00 0.29 N HETATM 38 CE 9KK A 3 -4.455 8.322 2.897 1.00 0.99 C HETATM 39 CD 9KK A 3 -5.011 7.074 3.547 1.00 0.93 C HETATM 40 CG 9KK A 3 -4.501 5.838 2.825 1.00 0.85 C HETATM 41 CB 9KK A 3 -5.018 4.559 3.465 1.00 0.45 C HETATM 42 CA 9KK A 3 -4.578 3.286 2.730 1.00 0.31 C HETATM 43 CM 9KK A 3 -5.120 2.120 4.928 1.00 0.43 C HETATM 44 C 9KK A 3 -3.055 3.169 2.721 1.00 0.39 C HETATM 45 O 9KK A 3 -2.436 2.691 3.676 1.00 0.68 O HETATM 46 HE3 9KK A 3 -4.842 9.194 3.404 1.00 1.42 H HETATM 47 HE2 9KK A 3 -3.377 8.314 2.968 1.00 1.57 H HETATM 48 HE1 9KK A 3 -4.749 8.351 1.859 1.00 1.25 H HETATM 49 HD2 9KK A 3 -4.694 7.047 4.579 1.00 1.00 H HETATM 50 HD3 9KK A 3 -6.088 7.106 3.488 1.00 0.93 H HETATM 51 HG2 9KK A 3 -4.828 5.871 1.796 1.00 1.24 H HETATM 52 HG3 9KK A 3 -3.422 5.834 2.861 1.00 1.05 H HETATM 53 HB2 9KK A 3 -4.655 4.521 4.481 1.00 0.54 H HETATM 54 HB3 9KK A 3 -6.096 4.598 3.477 1.00 0.83 H HETATM 55 HA 9KK A 3 -4.924 3.330 1.709 1.00 0.24 H HETATM 56 HM1 9KK A 3 -4.988 1.091 5.228 1.00 1.10 H HETATM 57 HM3 9KK A 3 -4.267 2.698 5.250 1.00 0.98 H HETATM 58 HM2 9KK A 3 -6.016 2.517 5.381 1.00 1.22 H ATOM 59 N CYS A 4 -2.463 3.596 1.617 1.00 0.22 N ATOM 60 CA CYS A 4 -1.019 3.640 1.479 1.00 0.30 C ATOM 61 C CYS A 4 -0.385 4.475 2.596 1.00 0.67 C ATOM 62 O CYS A 4 0.601 4.066 3.215 1.00 1.71 O ATOM 63 CB CYS A 4 -0.652 4.210 0.109 1.00 0.29 C ATOM 64 SG CYS A 4 1.026 4.854 0.021 1.00 0.40 S ATOM 65 H CYS A 4 -3.023 3.883 0.862 1.00 0.25 H ATOM 66 HA CYS A 4 -0.647 2.630 1.548 1.00 0.57 H ATOM 67 HB2 CYS A 4 -0.749 3.431 -0.634 1.00 0.50 H ATOM 68 HB3 CYS A 4 -1.329 5.017 -0.129 1.00 0.45 H ATOM 69 N THR A 5 -0.973 5.648 2.835 1.00 0.40 N ATOM 70 CA THR A 5 -0.581 6.529 3.932 1.00 0.47 C ATOM 71 C THR A 5 0.799 7.161 3.687 1.00 0.41 C ATOM 72 O THR A 5 1.389 7.778 4.577 1.00 0.54 O ATOM 73 CB THR A 5 -0.611 5.777 5.287 1.00 0.82 C ATOM 74 OG1 THR A 5 -1.810 4.990 5.372 1.00 1.39 O ATOM 75 CG2 THR A 5 -0.583 6.746 6.462 1.00 1.47 C ATOM 76 H THR A 5 -1.702 5.932 2.249 1.00 1.12 H ATOM 77 HA THR A 5 -1.313 7.324 3.979 1.00 0.62 H ATOM 78 HB THR A 5 0.249 5.127 5.348 1.00 1.13 H ATOM 79 HG1 THR A 5 -1.604 4.068 5.168 1.00 1.89 H ATOM 80 HG21 THR A 5 -1.437 7.407 6.403 1.00 1.77 H ATOM 81 HG22 THR A 5 0.326 7.329 6.426 1.00 2.12 H ATOM 82 HG23 THR A 5 -0.618 6.191 7.388 1.00 1.94 H ATOM 83 N TRP A 6 1.307 7.023 2.466 1.00 0.37 N ATOM 84 CA TRP A 6 2.544 7.680 2.089 1.00 0.47 C ATOM 85 C TRP A 6 2.253 9.136 1.762 1.00 0.61 C ATOM 86 O TRP A 6 1.274 9.440 1.070 1.00 0.63 O ATOM 87 CB TRP A 6 3.186 6.984 0.893 1.00 0.47 C ATOM 88 CG TRP A 6 4.608 7.378 0.654 1.00 0.60 C ATOM 89 CD1 TRP A 6 5.058 8.450 -0.059 1.00 0.73 C ATOM 90 CD2 TRP A 6 5.769 6.690 1.125 1.00 0.67 C ATOM 91 NE1 TRP A 6 6.429 8.471 -0.058 1.00 0.85 N ATOM 92 CE2 TRP A 6 6.891 7.400 0.662 1.00 0.82 C ATOM 93 CE3 TRP A 6 5.968 5.542 1.895 1.00 0.68 C ATOM 94 CZ2 TRP A 6 8.192 6.997 0.944 1.00 0.94 C ATOM 95 CZ3 TRP A 6 7.258 5.144 2.175 1.00 0.82 C ATOM 96 CH2 TRP A 6 8.356 5.869 1.701 1.00 0.94 C ATOM 97 H TRP A 6 0.844 6.462 1.810 1.00 0.38 H ATOM 98 HA TRP A 6 3.219 7.638 2.932 1.00 0.51 H ATOM 99 HB2 TRP A 6 3.161 5.918 1.050 1.00 0.43 H ATOM 100 HB3 TRP A 6 2.621 7.223 0.007 1.00 0.47 H ATOM 101 HD1 TRP A 6 4.414 9.169 -0.544 1.00 0.78 H ATOM 102 HE1 TRP A 6 6.991 9.146 -0.501 1.00 0.97 H ATOM 103 HE3 TRP A 6 5.132 4.970 2.268 1.00 0.61 H ATOM 104 HZ2 TRP A 6 9.051 7.546 0.585 1.00 1.06 H ATOM 105 HZ3 TRP A 6 7.430 4.260 2.769 1.00 0.88 H ATOM 106 HH2 TRP A 6 9.346 5.519 1.944 1.00 1.05 H HETATM 107 N AIB A 7 3.102 10.017 2.264 1.00 0.79 N HETATM 108 CA AIB A 7 2.898 11.462 2.162 1.00 0.99 C HETATM 109 C AIB A 7 2.723 11.884 0.693 1.00 0.94 C HETATM 110 O AIB A 7 3.646 11.751 -0.111 1.00 0.94 O HETATM 111 CB1 AIB A 7 4.098 12.177 2.747 1.00 1.21 C HETATM 112 CB2 AIB A 7 1.689 11.861 2.989 1.00 1.13 C HETATM 113 H AIB A 7 3.905 9.684 2.725 1.00 0.83 H HETATM 114 HB11 AIB A 7 4.983 11.912 2.185 1.00 1.51 H HETATM 115 HB12 AIB A 7 4.225 11.883 3.777 1.00 1.83 H HETATM 116 HB13 AIB A 7 3.943 13.243 2.692 1.00 1.48 H HETATM 117 HB21 AIB A 7 0.810 11.360 2.609 1.00 1.35 H HETATM 118 HB22 AIB A 7 1.551 12.929 2.930 1.00 1.60 H HETATM 119 HB23 AIB A 7 1.849 11.574 4.018 1.00 1.63 H ATOM 120 N GLY A 8 1.539 12.383 0.350 1.00 0.95 N ATOM 121 CA GLY A 8 1.308 12.917 -0.979 1.00 0.93 C ATOM 122 C GLY A 8 0.974 11.854 -2.008 1.00 0.76 C ATOM 123 O GLY A 8 0.883 12.148 -3.202 1.00 0.83 O ATOM 124 H GLY A 8 0.812 12.395 1.009 1.00 1.01 H ATOM 125 HA2 GLY A 8 0.490 13.621 -0.930 1.00 1.03 H ATOM 126 HA3 GLY A 8 2.198 13.440 -1.297 1.00 0.99 H ATOM 127 N CYS A 9 0.794 10.618 -1.563 1.00 0.61 N ATOM 128 CA CYS A 9 0.472 9.536 -2.479 1.00 0.55 C ATOM 129 C CYS A 9 -1.039 9.442 -2.685 1.00 0.92 C ATOM 130 O CYS A 9 -1.528 9.592 -3.807 1.00 1.94 O ATOM 131 CB CYS A 9 1.032 8.214 -1.954 1.00 0.42 C ATOM 132 SG CYS A 9 0.992 6.865 -3.156 1.00 0.36 S ATOM 133 H CYS A 9 0.886 10.429 -0.601 1.00 0.60 H ATOM 134 HA CYS A 9 0.933 9.760 -3.428 1.00 0.54 H ATOM 135 HB2 CYS A 9 2.060 8.360 -1.664 1.00 0.40 H ATOM 136 HB3 CYS A 9 0.461 7.903 -1.090 1.00 0.62 H ATOM 137 N GLY A 10 -1.775 9.210 -1.606 1.00 0.51 N ATOM 138 CA GLY A 10 -3.224 9.157 -1.691 1.00 0.65 C ATOM 139 C GLY A 10 -3.717 7.971 -2.496 1.00 0.58 C ATOM 140 O GLY A 10 -4.298 8.136 -3.571 1.00 0.90 O ATOM 141 H GLY A 10 -1.335 9.073 -0.743 1.00 1.03 H ATOM 142 HA2 GLY A 10 -3.631 9.096 -0.693 1.00 0.78 H ATOM 143 HA3 GLY A 10 -3.578 10.064 -2.155 1.00 0.82 H ATOM 144 N LYS A 11 -3.468 6.773 -1.987 1.00 0.37 N ATOM 145 CA LYS A 11 -3.904 5.554 -2.652 1.00 0.28 C ATOM 146 C LYS A 11 -4.589 4.617 -1.657 1.00 0.22 C ATOM 147 O LYS A 11 -4.068 4.381 -0.567 1.00 0.28 O ATOM 148 CB LYS A 11 -2.708 4.853 -3.307 1.00 0.36 C ATOM 149 CG LYS A 11 -2.053 5.669 -4.416 1.00 0.42 C ATOM 150 CD LYS A 11 -2.924 5.718 -5.660 1.00 0.67 C ATOM 151 CE LYS A 11 -2.376 6.679 -6.706 1.00 1.05 C ATOM 152 NZ LYS A 11 -2.419 8.096 -6.250 1.00 1.40 N1+ ATOM 153 H LYS A 11 -2.981 6.706 -1.142 1.00 0.51 H ATOM 154 HA LYS A 11 -4.613 5.833 -3.414 1.00 0.30 H ATOM 155 HB2 LYS A 11 -1.965 4.650 -2.552 1.00 0.43 H ATOM 156 HB3 LYS A 11 -3.043 3.917 -3.731 1.00 0.39 H ATOM 157 HG2 LYS A 11 -1.895 6.675 -4.059 1.00 0.81 H ATOM 158 HG3 LYS A 11 -1.103 5.220 -4.667 1.00 0.69 H ATOM 159 HD2 LYS A 11 -2.974 4.729 -6.088 1.00 0.84 H ATOM 160 HD3 LYS A 11 -3.915 6.037 -5.378 1.00 1.18 H ATOM 161 HE2 LYS A 11 -1.351 6.412 -6.918 1.00 1.67 H ATOM 162 HE3 LYS A 11 -2.964 6.583 -7.605 1.00 1.72 H ATOM 163 HZ1 LYS A 11 -3.379 8.343 -5.929 1.00 1.79 H ATOM 164 HZ2 LYS A 11 -2.159 8.730 -7.031 1.00 1.89 H ATOM 165 HZ3 LYS A 11 -1.753 8.246 -5.463 1.00 1.93 H HETATM 166 N MMO A 12 -5.779 4.093 -2.006 1.00 0.18 N HETATM 167 CA MMO A 12 -6.505 3.166 -1.110 1.00 0.17 C HETATM 168 C MMO A 12 -6.907 1.850 -1.786 1.00 0.14 C HETATM 169 O MMO A 12 -7.428 1.826 -2.903 1.00 0.25 O HETATM 170 CB MMO A 12 -7.750 3.947 -0.675 1.00 0.28 C HETATM 171 CG MMO A 12 -7.444 5.167 0.179 1.00 0.38 C HETATM 172 CD MMO A 12 -8.712 5.917 0.548 1.00 0.55 C HETATM 173 NE MMO A 12 -9.438 6.381 -0.636 1.00 1.09 N HETATM 174 CZ MMO A 12 -10.341 7.360 -0.622 1.00 1.58 C HETATM 175 NH2 MMO A 12 -10.630 7.994 0.508 1.00 1.59 N HETATM 176 NH1 MMO A 12 -10.960 7.697 -1.744 1.00 2.55 N HETATM 177 CN MMO A 12 -6.369 4.456 -3.313 1.00 0.27 C HETATM 178 HA MMO A 12 -5.910 2.936 -0.238 1.00 0.21 H HETATM 179 HCB1 MMO A 12 -8.387 3.288 -0.103 1.00 0.32 H HETATM 180 HCB2 MMO A 12 -8.282 4.274 -1.554 1.00 0.31 H HETATM 181 HCG1 MMO A 12 -6.792 5.827 -0.372 1.00 0.37 H HETATM 182 HCG2 MMO A 12 -6.952 4.846 1.086 1.00 0.41 H HETATM 183 HCD1 MMO A 12 -8.449 6.767 1.158 1.00 1.24 H HETATM 184 HCD2 MMO A 12 -9.352 5.254 1.111 1.00 1.20 H HETATM 185 HH21 MMO A 12 -10.171 7.741 1.363 1.00 1.64 H HETATM 186 HH22 MMO A 12 -11.316 8.726 0.513 1.00 2.05 H HETATM 187 HH11 MMO A 12 -11.642 8.434 -1.741 1.00 2.91 H HETATM 188 HC1 MMO A 12 -6.629 5.504 -3.313 1.00 1.00 H HETATM 189 HC2 MMO A 12 -7.256 3.865 -3.484 1.00 1.08 H HETATM 190 HC3 MMO A 12 -5.651 4.264 -4.096 1.00 1.02 H HETATM 191 HE MMO A 12 -9.244 5.929 -1.491 1.00 1.66 H HETATM 192 HH12 MMO A 12 -10.755 7.214 -2.600 1.00 3.06 H ATOM 193 N PHE A 13 -6.675 0.754 -1.087 1.00 0.13 N ATOM 194 CA PHE A 13 -6.906 -0.576 -1.631 1.00 0.12 C ATOM 195 C PHE A 13 -7.833 -1.364 -0.714 1.00 0.16 C ATOM 196 O PHE A 13 -7.862 -1.134 0.492 1.00 0.32 O ATOM 197 CB PHE A 13 -5.568 -1.300 -1.795 1.00 0.18 C ATOM 198 CG PHE A 13 -4.622 -0.591 -2.720 1.00 0.23 C ATOM 199 CD1 PHE A 13 -4.498 -0.990 -4.041 1.00 0.27 C ATOM 200 CD2 PHE A 13 -3.852 0.467 -2.269 1.00 0.28 C ATOM 201 CE1 PHE A 13 -3.626 -0.351 -4.894 1.00 0.33 C ATOM 202 CE2 PHE A 13 -2.977 1.113 -3.119 1.00 0.35 C ATOM 203 CZ PHE A 13 -2.885 0.739 -4.428 1.00 0.36 C ATOM 204 H PHE A 13 -6.345 0.839 -0.164 1.00 0.24 H ATOM 205 HA PHE A 13 -7.373 -0.468 -2.598 1.00 0.13 H ATOM 206 HB2 PHE A 13 -5.090 -1.379 -0.830 1.00 0.22 H ATOM 207 HB3 PHE A 13 -5.741 -2.290 -2.186 1.00 0.19 H ATOM 208 HD1 PHE A 13 -5.092 -1.817 -4.401 1.00 0.28 H ATOM 209 HD2 PHE A 13 -3.942 0.788 -1.242 1.00 0.30 H ATOM 210 HE1 PHE A 13 -3.542 -0.673 -5.921 1.00 0.38 H ATOM 211 HE2 PHE A 13 -2.381 1.937 -2.758 1.00 0.41 H ATOM 212 HZ PHE A 13 -2.210 1.258 -5.093 1.00 0.41 H ATOM 213 N THR A 14 -8.591 -2.287 -1.284 1.00 0.20 N ATOM 214 CA THR A 14 -9.560 -3.054 -0.514 1.00 0.26 C ATOM 215 C THR A 14 -8.953 -4.369 -0.017 1.00 0.18 C ATOM 216 O THR A 14 -9.631 -5.178 0.618 1.00 0.32 O ATOM 217 CB THR A 14 -10.839 -3.334 -1.343 1.00 0.46 C ATOM 218 OG1 THR A 14 -11.857 -3.921 -0.518 1.00 1.31 O ATOM 219 CG2 THR A 14 -10.546 -4.257 -2.519 1.00 0.93 C ATOM 220 H THR A 14 -8.500 -2.457 -2.247 1.00 0.30 H ATOM 221 HA THR A 14 -9.839 -2.461 0.345 1.00 0.34 H ATOM 222 HB THR A 14 -11.208 -2.394 -1.729 1.00 1.25 H ATOM 223 HG1 THR A 14 -11.466 -4.629 0.016 1.00 1.99 H ATOM 224 HG21 THR A 14 -10.193 -5.207 -2.149 1.00 1.54 H ATOM 225 HG22 THR A 14 -9.788 -3.811 -3.147 1.00 1.62 H ATOM 226 HG23 THR A 14 -11.449 -4.406 -3.094 1.00 1.52 H ATOM 227 N ARG A 15 -7.677 -4.578 -0.312 1.00 0.16 N ATOM 228 CA ARG A 15 -6.964 -5.760 0.148 1.00 0.16 C ATOM 229 C ARG A 15 -5.619 -5.363 0.734 1.00 0.14 C ATOM 230 O ARG A 15 -4.781 -4.771 0.049 1.00 0.14 O ATOM 231 CB ARG A 15 -6.768 -6.746 -1.005 1.00 0.29 C ATOM 232 CG ARG A 15 -8.058 -7.413 -1.452 1.00 0.31 C ATOM 233 CD ARG A 15 -7.874 -8.194 -2.743 1.00 0.92 C ATOM 234 NE ARG A 15 -6.862 -9.236 -2.619 1.00 1.27 N ATOM 235 CZ ARG A 15 -6.408 -9.955 -3.643 1.00 1.98 C ATOM 236 NH1 ARG A 15 -6.916 -9.787 -4.858 1.00 2.51 N1+ ATOM 237 NH2 ARG A 15 -5.456 -10.856 -3.446 1.00 2.55 N ATOM 238 H ARG A 15 -7.199 -3.917 -0.855 1.00 0.29 H ATOM 239 HA ARG A 15 -7.558 -6.227 0.918 1.00 0.19 H ATOM 240 HB2 ARG A 15 -6.349 -6.217 -1.847 1.00 0.36 H ATOM 241 HB3 ARG A 15 -6.077 -7.514 -0.692 1.00 0.38 H ATOM 242 HG2 ARG A 15 -8.383 -8.092 -0.678 1.00 0.57 H ATOM 243 HG3 ARG A 15 -8.808 -6.652 -1.603 1.00 0.65 H ATOM 244 HD2 ARG A 15 -8.814 -8.653 -3.008 1.00 1.45 H ATOM 245 HD3 ARG A 15 -7.577 -7.510 -3.523 1.00 1.50 H ATOM 246 HE ARG A 15 -6.491 -9.404 -1.722 1.00 1.47 H ATOM 247 HH11 ARG A 15 -7.646 -9.115 -5.012 1.00 2.52 H ATOM 248 HH12 ARG A 15 -6.573 -10.332 -5.627 1.00 3.13 H ATOM 249 HH21 ARG A 15 -5.078 -10.995 -2.527 1.00 2.68 H ATOM 250 HH22 ARG A 15 -5.110 -11.400 -4.215 1.00 3.07 H ATOM 251 N SER A 16 -5.425 -5.707 2.004 1.00 0.15 N ATOM 252 CA SER A 16 -4.232 -5.318 2.744 1.00 0.17 C ATOM 253 C SER A 16 -2.982 -5.904 2.108 1.00 0.15 C ATOM 254 O SER A 16 -1.930 -5.270 2.086 1.00 0.17 O ATOM 255 CB SER A 16 -4.359 -5.765 4.200 1.00 0.24 C ATOM 256 OG SER A 16 -4.785 -7.116 4.283 1.00 1.27 O ATOM 257 H SER A 16 -6.101 -6.255 2.456 1.00 0.17 H ATOM 258 HA SER A 16 -4.162 -4.243 2.712 1.00 0.18 H ATOM 259 HB2 SER A 16 -3.400 -5.671 4.688 1.00 1.04 H ATOM 260 HB3 SER A 16 -5.084 -5.141 4.704 1.00 1.05 H ATOM 261 HG SER A 16 -4.012 -7.686 4.409 1.00 1.61 H HETATM 262 OE1 B3D A 17 -0.521 -10.609 0.182 1.00 2.20 O HETATM 263 CD B3D A 17 -0.442 -9.764 1.104 1.00 1.42 C HETATM 264 OE2 B3D A 17 0.641 -9.448 1.635 1.00 2.21 O HETATM 265 CG B3D A 17 -1.716 -9.104 1.606 1.00 0.28 C HETATM 266 CB B3D A 17 -1.997 -7.750 0.931 1.00 0.19 C HETATM 267 N B3D A 17 -3.104 -7.112 1.586 1.00 0.15 N HETATM 268 CA B3D A 17 -2.334 -8.034 -0.532 1.00 0.16 C HETATM 269 C B3D A 17 -1.828 -6.980 -1.480 1.00 0.15 C HETATM 270 O B3D A 17 -0.622 -6.806 -1.665 1.00 0.20 O HETATM 271 HG3 B3D A 17 -1.624 -8.953 2.670 1.00 1.07 H HETATM 272 HG2 B3D A 17 -2.543 -9.771 1.415 1.00 0.93 H HETATM 273 HB B3D A 17 -1.147 -7.048 0.999 1.00 0.20 H HETATM 274 H B3D A 17 -3.964 -7.580 1.655 1.00 0.16 H HETATM 275 HA1 B3D A 17 -1.896 -8.978 -0.811 1.00 0.22 H HETATM 276 HA2 B3D A 17 -3.406 -8.095 -0.641 1.00 0.15 H ATOM 277 N GLU A 18 -2.770 -6.244 -2.061 1.00 0.14 N ATOM 278 CA GLU A 18 -2.462 -5.228 -3.055 1.00 0.21 C ATOM 279 C GLU A 18 -1.981 -3.942 -2.397 1.00 0.15 C ATOM 280 O GLU A 18 -1.261 -3.157 -3.010 1.00 0.18 O ATOM 281 CB GLU A 18 -3.694 -4.951 -3.916 1.00 0.39 C ATOM 282 CG GLU A 18 -4.149 -6.159 -4.717 1.00 0.56 C ATOM 283 CD GLU A 18 -3.111 -6.614 -5.724 1.00 1.75 C ATOM 284 OE1 GLU A 18 -2.212 -7.392 -5.341 1.00 2.68 O ATOM 285 OE2 GLU A 18 -3.184 -6.194 -6.899 1.00 2.01 O1- ATOM 286 H GLU A 18 -3.704 -6.388 -1.809 1.00 0.13 H ATOM 287 HA GLU A 18 -1.675 -5.611 -3.684 1.00 0.29 H ATOM 288 HB2 GLU A 18 -4.508 -4.643 -3.274 1.00 0.42 H ATOM 289 HB3 GLU A 18 -3.468 -4.151 -4.604 1.00 0.44 H ATOM 290 HG2 GLU A 18 -4.348 -6.972 -4.037 1.00 0.84 H ATOM 291 HG3 GLU A 18 -5.054 -5.902 -5.244 1.00 0.95 H ATOM 292 N LEU A 19 -2.392 -3.724 -1.157 1.00 0.15 N ATOM 293 CA LEU A 19 -1.953 -2.561 -0.406 1.00 0.17 C ATOM 294 C LEU A 19 -0.470 -2.687 -0.067 1.00 0.16 C ATOM 295 O LEU A 19 0.322 -1.791 -0.361 1.00 0.19 O ATOM 296 CB LEU A 19 -2.818 -2.412 0.857 1.00 0.22 C ATOM 297 CG LEU A 19 -2.529 -1.213 1.776 1.00 0.31 C ATOM 298 CD1 LEU A 19 -1.458 -1.558 2.798 1.00 0.69 C ATOM 299 CD2 LEU A 19 -2.121 0.015 0.973 1.00 0.86 C ATOM 300 H LEU A 19 -3.019 -4.355 -0.737 1.00 0.16 H ATOM 301 HA LEU A 19 -2.093 -1.694 -1.032 1.00 0.21 H ATOM 302 HB2 LEU A 19 -3.849 -2.347 0.545 1.00 0.26 H ATOM 303 HB3 LEU A 19 -2.704 -3.312 1.441 1.00 0.20 H ATOM 304 HG LEU A 19 -3.430 -0.968 2.317 1.00 0.82 H ATOM 305 HD11 LEU A 19 -1.301 -0.714 3.449 1.00 1.31 H ATOM 306 HD12 LEU A 19 -0.537 -1.799 2.289 1.00 1.20 H ATOM 307 HD13 LEU A 19 -1.780 -2.407 3.382 1.00 1.31 H ATOM 308 HD21 LEU A 19 -1.219 -0.197 0.418 1.00 1.38 H ATOM 309 HD22 LEU A 19 -1.943 0.842 1.645 1.00 1.53 H ATOM 310 HD23 LEU A 19 -2.911 0.275 0.289 1.00 1.36 H ATOM 311 N GLN A 20 -0.099 -3.808 0.533 1.00 0.16 N ATOM 312 CA GLN A 20 1.288 -4.047 0.897 1.00 0.21 C ATOM 313 C GLN A 20 2.146 -4.253 -0.346 1.00 0.16 C ATOM 314 O GLN A 20 3.186 -3.611 -0.508 1.00 0.16 O ATOM 315 CB GLN A 20 1.405 -5.263 1.812 1.00 0.30 C ATOM 316 CG GLN A 20 2.812 -5.465 2.344 1.00 0.37 C ATOM 317 CD GLN A 20 2.957 -6.719 3.181 1.00 1.09 C ATOM 318 OE1 GLN A 20 3.281 -7.788 2.665 1.00 1.82 O ATOM 319 NE2 GLN A 20 2.725 -6.598 4.480 1.00 1.83 N ATOM 320 H GLN A 20 -0.778 -4.482 0.753 1.00 0.16 H ATOM 321 HA GLN A 20 1.645 -3.178 1.425 1.00 0.27 H ATOM 322 HB2 GLN A 20 0.734 -5.138 2.649 1.00 0.35 H ATOM 323 HB3 GLN A 20 1.118 -6.144 1.260 1.00 0.30 H ATOM 324 HG2 GLN A 20 3.489 -5.536 1.506 1.00 0.90 H ATOM 325 HG3 GLN A 20 3.080 -4.611 2.946 1.00 1.00 H ATOM 326 HE21 GLN A 20 2.473 -5.714 4.829 1.00 2.08 H ATOM 327 HE22 GLN A 20 2.815 -7.396 5.043 1.00 2.45 H HETATM 328 N HMR A 21 1.709 -5.145 -1.228 1.00 0.18 N HETATM 329 CA HMR A 21 2.443 -5.414 -2.434 1.00 0.19 C HETATM 330 CB HMR A 21 2.453 -6.932 -2.683 1.00 0.29 C HETATM 331 CG HMR A 21 2.792 -7.767 -1.457 1.00 0.51 C HETATM 332 CD HMR A 21 4.229 -7.568 -1.002 1.00 0.94 C HETATM 333 NE HMR A 21 4.551 -8.403 0.159 1.00 1.75 N HETATM 334 CZ HMR A 21 5.654 -9.150 0.264 1.00 2.14 C HETATM 335 NH1 HMR A 21 6.549 -9.170 -0.714 1.00 1.94 N HETATM 336 NH2 HMR A 21 5.857 -9.884 1.350 1.00 3.01 N HETATM 337 C HMR A 21 2.182 -3.379 -3.943 1.00 0.17 C HETATM 338 O HMR A 21 3.225 -3.143 -4.560 1.00 0.27 O HETATM 339 CH2 HMR A 21 1.751 -4.790 -3.649 1.00 0.16 C HETATM 340 H HMR A 21 0.864 -5.624 -1.061 1.00 0.22 H HETATM 341 HA HMR A 21 3.455 -4.985 -2.296 1.00 0.23 H HETATM 342 HB2 HMR A 21 3.176 -7.151 -3.454 1.00 0.35 H HETATM 343 HB3 HMR A 21 1.475 -7.228 -3.029 1.00 0.29 H HETATM 344 HG2 HMR A 21 2.641 -8.809 -1.696 1.00 0.69 H HETATM 345 HG3 HMR A 21 2.132 -7.484 -0.652 1.00 0.87 H HETATM 346 HD2 HMR A 21 4.371 -6.531 -0.739 1.00 1.35 H HETATM 347 HD3 HMR A 21 4.889 -7.826 -1.816 1.00 1.23 H HETATM 348 HE HMR A 21 3.900 -8.409 0.904 1.00 2.22 H HETATM 349 HH1 HMR A 21 6.407 -8.624 -1.543 1.00 1.68 H HETATM 350 HH21 HMR A 21 6.689 -10.446 1.433 1.00 3.31 H HETATM 351 HH22 HMR A 21 5.185 -9.884 2.095 1.00 3.45 H HETATM 352 HC1 HMR A 21 1.967 -5.393 -4.517 1.00 0.19 H HETATM 353 HC2 HMR A 21 0.683 -4.787 -3.480 1.00 0.14 H HETATM 354 HH2 HMR A 21 7.377 -9.734 -0.628 1.00 2.33 H ATOM 355 N HIS A 22 1.373 -2.432 -3.486 1.00 0.15 N ATOM 356 CA HIS A 22 1.603 -1.021 -3.740 1.00 0.15 C ATOM 357 C HIS A 22 2.744 -0.470 -2.885 1.00 0.13 C ATOM 358 O HIS A 22 3.704 0.079 -3.425 1.00 0.12 O ATOM 359 CB HIS A 22 0.315 -0.224 -3.496 1.00 0.20 C ATOM 360 CG HIS A 22 0.515 1.256 -3.548 1.00 0.16 C ATOM 361 ND1 HIS A 22 0.316 2.042 -4.679 1.00 0.20 N ATOM 362 CD2 HIS A 22 0.976 2.090 -2.588 1.00 0.17 C ATOM 363 CE1 HIS A 22 0.678 3.297 -4.369 1.00 0.21 C ATOM 364 NE2 HIS A 22 1.075 3.346 -3.125 1.00 0.18 N ATOM 365 H HIS A 22 0.584 -2.695 -2.962 1.00 0.18 H ATOM 366 HA HIS A 22 1.879 -0.919 -4.777 1.00 0.16 H ATOM 367 HB2 HIS A 22 -0.413 -0.487 -4.247 1.00 0.25 H ATOM 368 HB3 HIS A 22 -0.075 -0.473 -2.520 1.00 0.25 H ATOM 369 HD1 HIS A 22 -0.029 1.737 -5.546 1.00 0.24 H ATOM 370 HD2 HIS A 22 1.210 1.825 -1.569 1.00 0.21 H ATOM 371 HE1 HIS A 22 0.644 4.138 -5.046 1.00 0.27 H ATOM 372 N LYS A 23 2.634 -0.611 -1.558 1.00 0.18 N ATOM 373 CA LYS A 23 3.628 -0.046 -0.641 1.00 0.19 C ATOM 374 C LYS A 23 5.026 -0.454 -1.078 1.00 0.17 C ATOM 375 O LYS A 23 5.932 0.379 -1.179 1.00 0.18 O ATOM 376 CB LYS A 23 3.351 -0.480 0.803 1.00 0.27 C ATOM 377 CG LYS A 23 4.341 0.075 1.826 1.00 0.73 C ATOM 378 CD LYS A 23 4.456 1.598 1.766 1.00 0.61 C ATOM 379 CE LYS A 23 3.116 2.292 1.993 1.00 0.85 C ATOM 380 NZ LYS A 23 2.600 2.084 3.372 1.00 1.01 N1+ ATOM 381 H LYS A 23 1.871 -1.113 -1.191 1.00 0.22 H ATOM 382 HA LYS A 23 3.553 1.029 -0.704 1.00 0.20 H ATOM 383 HB2 LYS A 23 2.359 -0.150 1.080 1.00 0.78 H ATOM 384 HB3 LYS A 23 3.384 -1.558 0.853 1.00 0.73 H ATOM 385 HG2 LYS A 23 4.013 -0.208 2.814 1.00 1.26 H ATOM 386 HG3 LYS A 23 5.313 -0.356 1.634 1.00 1.25 H ATOM 387 HD2 LYS A 23 5.148 1.925 2.531 1.00 0.85 H ATOM 388 HD3 LYS A 23 4.839 1.879 0.795 1.00 0.88 H ATOM 389 HE2 LYS A 23 3.240 3.351 1.823 1.00 1.56 H ATOM 390 HE3 LYS A 23 2.398 1.899 1.288 1.00 1.39 H ATOM 391 HZ1 LYS A 23 2.435 1.074 3.549 1.00 1.57 H ATOM 392 HZ2 LYS A 23 1.702 2.596 3.501 1.00 1.30 H ATOM 393 HZ3 LYS A 23 3.287 2.439 4.067 1.00 1.62 H HETATM 394 N HMR A 24 5.190 -1.731 -1.370 1.00 0.18 N HETATM 395 CA HMR A 24 6.446 -2.216 -1.854 1.00 0.20 C HETATM 396 CB HMR A 24 6.749 -3.586 -1.232 1.00 0.30 C HETATM 397 CG HMR A 24 8.049 -4.207 -1.714 1.00 0.34 C HETATM 398 CD HMR A 24 8.361 -5.497 -0.978 1.00 0.50 C HETATM 399 NE HMR A 24 9.511 -6.187 -1.557 1.00 0.95 N HETATM 400 CZ HMR A 24 10.044 -7.304 -1.061 1.00 1.35 C HETATM 401 NH1 HMR A 24 11.077 -7.869 -1.672 1.00 1.85 N HETATM 402 NH2 HMR A 24 9.539 -7.863 0.034 1.00 1.46 N HETATM 403 C HMR A 24 7.085 -1.288 -4.128 1.00 0.18 C HETATM 404 O HMR A 24 8.276 -1.387 -4.419 1.00 0.27 O HETATM 405 CH2 HMR A 24 6.369 -2.381 -3.373 1.00 0.21 C HETATM 406 H HMR A 24 4.436 -2.356 -1.260 1.00 0.21 H HETATM 407 HA HMR A 24 7.200 -1.453 -1.593 1.00 0.21 H HETATM 408 HB2 HMR A 24 5.942 -4.263 -1.470 1.00 0.35 H HETATM 409 HB3 HMR A 24 6.807 -3.473 -0.161 1.00 0.37 H HETATM 410 HG2 HMR A 24 8.852 -3.506 -1.550 1.00 0.40 H HETATM 411 HG3 HMR A 24 7.965 -4.422 -2.767 1.00 0.38 H HETATM 412 HD2 HMR A 24 7.498 -6.144 -1.029 1.00 0.63 H HETATM 413 HD3 HMR A 24 8.576 -5.264 0.054 1.00 0.77 H HETATM 414 HE HMR A 24 9.908 -5.793 -2.367 1.00 1.18 H HETATM 415 HH1 HMR A 24 11.458 -7.461 -2.503 1.00 2.03 H HETATM 416 HH21 HMR A 24 8.753 -7.452 0.495 1.00 1.35 H HETATM 417 HH22 HMR A 24 9.944 -8.706 0.405 1.00 1.83 H HETATM 418 HC1 HMR A 24 6.810 -3.323 -3.645 1.00 0.28 H HETATM 419 HC2 HMR A 24 5.333 -2.375 -3.675 1.00 0.23 H HETATM 420 HH2 HMR A 24 11.482 -8.711 -1.303 1.00 2.15 H ATOM 421 N THR A 25 6.349 -0.225 -4.436 1.00 0.16 N ATOM 422 CA THR A 25 6.875 0.858 -5.250 1.00 0.23 C ATOM 423 C THR A 25 7.618 1.893 -4.396 1.00 0.22 C ATOM 424 O THR A 25 8.513 2.587 -4.886 1.00 0.34 O ATOM 425 CB THR A 25 5.754 1.538 -6.076 1.00 0.34 C ATOM 426 OG1 THR A 25 6.319 2.351 -7.111 1.00 1.33 O ATOM 427 CG2 THR A 25 4.847 2.397 -5.205 1.00 1.09 C ATOM 428 H THR A 25 5.423 -0.170 -4.105 1.00 0.17 H ATOM 429 HA THR A 25 7.579 0.425 -5.944 1.00 0.30 H ATOM 430 HB THR A 25 5.153 0.764 -6.531 1.00 0.94 H ATOM 431 HG1 THR A 25 7.029 1.860 -7.545 1.00 1.98 H ATOM 432 HG21 THR A 25 4.106 2.879 -5.825 1.00 1.66 H ATOM 433 HG22 THR A 25 5.436 3.148 -4.701 1.00 1.47 H ATOM 434 HG23 THR A 25 4.354 1.777 -4.474 1.00 1.67 H ATOM 435 N HIS A 26 7.266 1.990 -3.118 1.00 0.20 N ATOM 436 CA HIS A 26 7.951 2.916 -2.224 1.00 0.25 C ATOM 437 C HIS A 26 9.089 2.202 -1.509 1.00 0.30 C ATOM 438 O HIS A 26 10.245 2.620 -1.572 1.00 0.38 O ATOM 439 CB HIS A 26 7.007 3.503 -1.172 1.00 0.25 C ATOM 440 CG HIS A 26 5.799 4.211 -1.704 1.00 0.24 C ATOM 441 ND1 HIS A 26 5.831 5.397 -2.437 1.00 0.29 N ATOM 442 CD2 HIS A 26 4.489 3.910 -1.534 1.00 0.25 C ATOM 443 CE1 HIS A 26 4.553 5.768 -2.667 1.00 0.30 C ATOM 444 NE2 HIS A 26 3.740 4.892 -2.136 1.00 0.25 N ATOM 445 H HIS A 26 6.544 1.421 -2.766 1.00 0.24 H ATOM 446 HA HIS A 26 8.358 3.717 -2.823 1.00 0.31 H ATOM 447 HB2 HIS A 26 6.655 2.702 -0.539 1.00 0.27 H ATOM 448 HB3 HIS A 26 7.559 4.206 -0.564 1.00 0.28 H ATOM 449 HD1 HIS A 26 6.637 5.882 -2.725 1.00 0.33 H ATOM 450 HD2 HIS A 26 4.093 3.054 -1.014 1.00 0.28 H ATOM 451 HE1 HIS A 26 4.248 6.659 -3.196 1.00 0.37 H HETATM 452 CG B3T A 27 9.397 0.315 1.414 1.00 0.60 C HETATM 453 OD1 B3T A 27 8.090 -0.240 1.624 1.00 0.76 O HETATM 454 CD2 B3T A 27 9.459 1.716 2.002 1.00 0.76 C HETATM 455 CB B3T A 27 9.722 0.330 -0.084 1.00 0.46 C HETATM 456 N B3T A 27 8.744 1.116 -0.832 1.00 0.36 N HETATM 457 CA B3T A 27 9.781 -1.095 -0.647 1.00 0.62 C HETATM 458 C B3T A 27 11.138 -1.749 -0.474 1.00 0.82 C HETATM 459 O B3T A 27 11.762 -1.629 0.582 1.00 1.03 O HETATM 460 HG B3T A 27 10.126 -0.301 1.914 1.00 0.67 H HETATM 461 HOD1 B3T A 27 8.129 -1.199 1.503 1.00 1.25 H HETATM 462 H1D2 B3T A 27 8.752 2.352 1.491 1.00 1.25 H HETATM 463 H2D2 B3T A 27 10.454 2.114 1.879 1.00 1.43 H HETATM 464 H3D2 B3T A 27 9.214 1.676 3.053 1.00 1.15 H HETATM 465 HB B3T A 27 10.681 0.795 -0.188 1.00 0.52 H HETATM 466 HN B3T A 27 7.801 0.834 -0.827 1.00 0.39 H HETATM 467 HA B3T A 27 9.549 -1.063 -1.700 1.00 0.63 H HETATM 468 HAA B3T A 27 9.046 -1.702 -0.142 1.00 0.70 H ATOM 469 N GLY A 28 11.585 -2.465 -1.500 1.00 1.30 N ATOM 470 CA GLY A 28 12.887 -3.107 -1.451 1.00 1.53 C ATOM 471 C GLY A 28 12.955 -4.213 -0.413 1.00 1.68 C ATOM 472 O GLY A 28 12.520 -5.336 -0.664 1.00 2.18 O ATOM 473 H GLY A 28 11.025 -2.566 -2.299 1.00 1.67 H ATOM 474 HA2 GLY A 28 13.104 -3.529 -2.422 1.00 1.86 H ATOM 475 HA3 GLY A 28 13.633 -2.364 -1.220 1.00 1.58 H ATOM 476 N GLU A 29 13.505 -3.894 0.752 1.00 1.96 N ATOM 477 CA GLU A 29 13.605 -4.853 1.847 1.00 2.41 C ATOM 478 C GLU A 29 12.286 -4.933 2.610 1.00 2.39 C ATOM 479 O GLU A 29 11.938 -5.974 3.169 1.00 3.19 O ATOM 480 CB GLU A 29 14.724 -4.449 2.811 1.00 3.15 C ATOM 481 CG GLU A 29 16.108 -4.419 2.183 1.00 3.91 C ATOM 482 CD GLU A 29 16.586 -5.785 1.733 1.00 4.36 C ATOM 483 OE1 GLU A 29 16.940 -6.609 2.599 1.00 4.89 O ATOM 484 OE2 GLU A 29 16.601 -6.046 0.511 1.00 4.51 O1- ATOM 485 H GLU A 29 13.856 -2.986 0.879 1.00 2.25 H ATOM 486 HA GLU A 29 13.830 -5.819 1.424 1.00 2.64 H ATOM 487 HB2 GLU A 29 14.509 -3.467 3.199 1.00 3.38 H ATOM 488 HB3 GLU A 29 14.745 -5.149 3.631 1.00 3.49 H ATOM 489 HG2 GLU A 29 16.083 -3.767 1.323 1.00 4.30 H ATOM 490 HG3 GLU A 29 16.807 -4.031 2.908 1.00 4.26 H ATOM 491 N LYS A 30 11.553 -3.831 2.630 1.00 1.95 N ATOM 492 CA LYS A 30 10.312 -3.759 3.386 1.00 2.32 C ATOM 493 C LYS A 30 9.113 -3.964 2.473 1.00 2.89 C ATOM 494 O LYS A 30 8.524 -3.008 1.961 1.00 3.15 O ATOM 495 CB LYS A 30 10.203 -2.418 4.116 1.00 2.23 C ATOM 496 CG LYS A 30 11.303 -2.197 5.141 1.00 2.98 C ATOM 497 CD LYS A 30 11.166 -0.850 5.829 1.00 3.35 C ATOM 498 CE LYS A 30 12.236 -0.668 6.891 1.00 3.96 C ATOM 499 NZ LYS A 30 12.120 0.643 7.578 1.00 4.54 N1+ ATOM 500 H LYS A 30 11.846 -3.049 2.111 1.00 1.83 H ATOM 501 HA LYS A 30 10.327 -4.555 4.118 1.00 2.86 H ATOM 502 HB2 LYS A 30 10.252 -1.622 3.392 1.00 2.41 H ATOM 503 HB3 LYS A 30 9.252 -2.372 4.626 1.00 2.30 H ATOM 504 HG2 LYS A 30 11.248 -2.977 5.885 1.00 3.30 H ATOM 505 HG3 LYS A 30 12.261 -2.241 4.641 1.00 3.48 H ATOM 506 HD2 LYS A 30 11.268 -0.066 5.091 1.00 3.50 H ATOM 507 HD3 LYS A 30 10.194 -0.788 6.294 1.00 3.54 H ATOM 508 HE2 LYS A 30 12.136 -1.458 7.620 1.00 4.07 H ATOM 509 HE3 LYS A 30 13.206 -0.735 6.421 1.00 4.35 H ATOM 510 HZ1 LYS A 30 12.790 0.691 8.373 1.00 4.69 H ATOM 511 HZ2 LYS A 30 11.158 0.776 7.943 1.00 4.86 H ATOM 512 HZ3 LYS A 30 12.337 1.414 6.915 1.00 4.84 H HETATM 513 N NH2 A 31 8.744 -5.215 2.279 1.00 3.54 N HETATM 514 HN1 NH2 A 31 9.263 -5.926 2.719 1.00 3.61 H HETATM 515 HN2 NH2 A 31 7.964 -5.385 1.713 1.00 4.13 H TER 516 NH2 A 31 HETATM 517 ZN ZN A 101 1.748 4.942 -2.155 1.00 0.26 ZN