TITLE SUPPORTING INFORMATION FOR: TITLE NATURE OF ASYMMERTIC ELECTRON TRANSFER IN THE SYMMETRIC PATHWAYS OF PHOTOSYSTEM I TITLE IN PHOTOSYNTHETIC REACTION CENTERS TITLE KOJI MITSUHASHI, HIROYUKI TAMURA, KEISUKE SAITO, AND HIROSHI ISHIKITA REMARK 400 REMARK 400 QM/MM-OPTIMIZED STRUCTURE FOR CHLOROPHYLL-A IN PSI REMARK 400 CHL-A'/CHL-A HETERODIMER REMARK 400 HETATM 1 MG CLA 1 99.309 121.897 87.432 HETATM 2 CHA CLA 1 101.920 123.997 86.330 HETATM 3 CHB CLA 1 98.891 120.908 84.189 HETATM 4 CHC CLA 1 97.580 119.137 88.532 HETATM 5 CHD CLA 1 100.287 122.522 90.703 HETATM 6 NA CLA 1 100.282 122.412 85.534 HETATM 7 C1A CLA 1 101.244 123.365 85.302 HETATM 8 C2A CLA 1 101.445 123.567 83.801 HETATM 9 C3A CLA 1 100.134 122.953 83.244 HETATM 10 C4A CLA 1 99.732 122.002 84.365 HETATM 11 CMA CLA 1 99.054 124.039 83.066 HETATM 12 CAA CLA 1 102.726 122.869 83.297 HETATM 13 CBA CLA 1 102.944 123.076 81.794 HETATM 14 CGA CLA 1 104.221 122.516 81.203 HETATM 15 O1A CLA 1 104.408 122.312 80.021 HETATM 16 O2A CLA 1 105.178 122.307 82.120 HETATM 17 NB CLA 1 98.477 120.245 86.523 HETATM 18 C1B CLA 1 98.358 120.046 85.179 HETATM 19 C2B CLA 1 97.553 118.857 84.932 HETATM 20 C3B CLA 1 97.162 118.379 86.164 HETATM 21 C4B CLA 1 97.761 119.257 87.160 HETATM 22 CMB CLA 1 97.289 118.220 83.605 HETATM 23 CAB CLA 1 96.291 117.254 86.495 HETATM 24 CBB CLA 1 95.205 116.876 85.805 HETATM 25 NC CLA 1 98.912 121.043 89.287 HETATM 26 C1C CLA 1 98.120 119.963 89.537 HETATM 27 C2C CLA 1 97.971 119.760 90.969 HETATM 28 C3C CLA 1 98.729 120.734 91.573 HETATM 29 C4C CLA 1 99.335 121.515 90.511 HETATM 30 CMC CLA 1 97.161 118.699 91.656 HETATM 31 CAC CLA 1 98.867 121.005 93.039 HETATM 32 CBC CLA 1 97.971 122.178 93.484 HETATM 33 ND CLA 1 100.802 122.956 88.348 HETATM 34 C1D CLA 1 100.993 123.207 89.703 HETATM 35 C2D CLA 1 101.984 124.236 89.887 HETATM 36 C3D CLA 1 102.380 124.582 88.596 HETATM 37 C4D CLA 1 101.638 123.767 87.700 HETATM 38 CMD CLA 1 102.471 124.773 91.191 HETATM 39 CAD CLA 1 103.234 125.468 87.840 HETATM 40 OBD CLA 1 103.959 126.366 88.226 HETATM 41 CBD CLA 1 103.057 125.034 86.300 HETATM 42 CGD CLA 1 104.378 124.413 85.888 HETATM 43 O1D CLA 1 104.924 123.505 86.475 HETATM 44 O2D CLA 1 104.910 124.979 84.770 HETATM 45 CED CLA 1 106.202 124.457 84.413 HETATM 46 C1 CLA 1 106.427 121.733 81.676 HETATM 47 C2 CLA 1 106.923 120.847 82.789 HETATM 48 C3 CLA 1 107.984 121.096 83.568 HETATM 49 C4 CLA 1 108.984 122.251 83.316 HETATM 50 C5 CLA 1 108.306 120.211 84.780 HETATM 51 C6 CLA 1 108.183 121.000 86.124 HETATM 52 C7 CLA 1 107.953 120.056 87.294 HETATM 53 C8 CLA 1 109.025 118.961 87.576 HETATM 54 C9 CLA 1 108.639 118.124 88.814 HETATM 55 C10 CLA 1 110.383 119.625 87.776 HETATM 56 C11 CLA 1 111.542 118.687 87.974 HETATM 57 C12 CLA 1 112.806 119.544 87.932 HETATM 58 C13 CLA 1 114.135 118.770 87.818 HETATM 59 C14 CLA 1 115.354 119.682 88.003 HETATM 60 C15 CLA 1 114.169 117.993 86.459 HETATM 61 C16 CLA 1 113.999 118.807 85.170 HETATM 62 C17 CLA 1 114.082 118.000 83.880 HETATM 63 C18 CLA 1 114.127 118.897 82.621 HETATM 64 C19 CLA 1 114.750 118.174 81.448 HETATM 65 C20 CLA 1 112.725 119.350 82.246 HETATM 66 HHB CLA 1 98.596 120.709 83.166 HETATM 67 HHC CLA 1 96.970 118.309 88.874 HETATM 68 HHD CLA 1 100.532 122.772 91.732 HETATM 69 H2A CLA 1 101.514 124.638 83.563 HETATM 70 H3A CLA 1 100.279 122.425 82.297 HETATM 71 HMA1 CLA 1 99.392 124.786 82.339 HETATM 72 HMA2 CLA 1 98.864 124.553 84.014 HETATM 73 HMA3 CLA 1 98.111 123.602 82.720 HETATM 74 HAA1 CLA 1 102.677 121.800 83.522 HETATM 75 HAA2 CLA 1 103.585 123.255 83.841 HETATM 76 HBA1 CLA 1 102.920 124.149 81.543 HETATM 77 HBA2 CLA 1 102.130 122.641 81.218 HETATM 78 HMB1 CLA 1 97.922 118.650 82.824 HETATM 79 HMB2 CLA 1 96.243 118.333 83.300 HETATM 80 HMB3 CLA 1 97.504 117.148 83.653 HETATM 81 HAB CLA 1 96.542 116.696 87.396 HETATM 82 HBB1 CLA 1 94.870 117.392 84.910 HETATM 83 HBB2 CLA 1 94.606 116.026 86.120 HETATM 84 HMC1 CLA 1 97.757 118.193 92.423 HETATM 85 HMC2 CLA 1 96.816 117.930 90.961 HETATM 86 HMC3 CLA 1 96.284 119.124 92.160 HETATM 87 HAC1 CLA 1 99.912 121.224 93.297 HETATM 88 HAC2 CLA 1 98.597 120.097 93.591 HETATM 89 HBC1 CLA 1 96.916 121.949 93.298 HETATM 90 HBC2 CLA 1 98.217 123.082 92.913 HETATM 91 HBC3 CLA 1 98.096 122.402 94.548 HETATM 92 HMD1 CLA 1 102.668 123.967 91.908 HETATM 93 HMD2 CLA 1 101.732 125.440 91.655 HETATM 94 HMD3 CLA 1 103.393 125.336 91.044 HETATM 95 HBD CLA 1 102.872 125.916 85.678 HETATM 96 HED1 CLA 1 106.141 123.385 84.214 HETATM 97 HED2 CLA 1 106.918 124.640 85.217 HETATM 98 HED3 CLA 1 106.504 125.001 83.514 HETATM 99 H1A CLA 1 107.010 122.496 81.133 HETATM 100 H1B CLA 1 106.242 120.914 80.976 HETATM 101 H2 CLA 1 106.288 119.989 83.014 HETATM 102 H4A CLA 1 108.692 122.820 82.425 HETATM 103 H4B CLA 1 109.988 121.823 83.181 HETATM 104 H4C CLA 1 108.994 122.906 84.199 HETATM 105 H5A CLA 1 109.342 119.850 84.689 HETATM 106 H5B CLA 1 107.600 119.370 84.792 HETATM 107 H6A CLA 1 107.314 121.676 86.048 HETATM 108 H6B CLA 1 109.091 121.598 86.286 HETATM 109 H7A CLA 1 106.994 119.542 87.117 HETATM 110 H7B CLA 1 107.867 120.676 88.199 HETATM 111 H8 CLA 1 109.081 118.291 86.701 HETATM 112 H9A CLA 1 107.655 117.667 88.632 HETATM 113 H9B CLA 1 108.587 118.786 89.690 HETATM 114 H9C CLA 1 109.387 117.336 88.970 HETATM 115 H10A CLA 1 110.320 120.294 88.649 HETATM 116 H10B CLA 1 110.596 120.214 86.873 HETATM 117 H11A CLA 1 111.543 117.962 87.149 HETATM 118 H11B CLA 1 111.472 118.182 88.946 HETATM 119 H12A CLA 1 112.840 120.128 88.863 HETATM 120 H12B CLA 1 112.746 120.244 87.086 HETATM 121 H13 CLA 1 114.160 118.024 88.629 HETATM 122 H14A CLA 1 115.318 120.125 89.006 HETATM 123 H14B CLA 1 115.326 120.474 87.242 HETATM 124 H14C CLA 1 116.268 119.083 87.888 HETATM 125 H15A CLA 1 113.390 117.222 86.474 HETATM 126 H15B CLA 1 115.149 117.493 86.399 HETATM 127 H16A CLA 1 114.768 119.581 85.152 HETATM 128 H16B CLA 1 113.007 119.281 85.190 HETATM 129 H17A CLA 1 113.202 117.343 83.812 HETATM 130 H17B CLA 1 114.990 117.389 83.910 HETATM 131 H18 CLA 1 114.736 119.790 82.837 HETATM 132 H19A CLA 1 114.167 117.271 81.238 HETATM 133 H19B CLA 1 115.786 117.907 81.700 HETATM 134 H19C CLA 1 114.738 118.840 80.571 HETATM 135 H20A CLA 1 112.252 119.834 83.111 HETATM 136 H20B CLA 1 112.132 118.476 81.937 HETATM 137 H20C CLA 1 112.795 120.068 81.418 HETATM 138 MG CLA 2 99.673 115.610 87.797 HETATM 139 CHA CLA 2 96.915 113.687 86.894 HETATM 140 CHB CLA 2 100.177 116.299 84.499 HETATM 141 CHC CLA 2 101.490 118.406 88.678 HETATM 142 CHD CLA 2 98.648 115.352 91.144 HETATM 143 NA CLA 2 98.725 115.000 85.985 HETATM 144 C1A CLA 2 97.680 114.123 85.831 HETATM 145 C2A CLA 2 97.480 113.752 84.370 HETATM 146 C3A CLA 2 98.796 114.271 83.731 HETATM 147 C4A CLA 2 99.294 115.261 84.778 HETATM 148 CMA CLA 2 99.815 113.133 83.526 HETATM 149 CAA CLA 2 96.211 114.401 83.790 HETATM 150 CBA CLA 2 95.920 113.916 82.369 HETATM 151 CGA CLA 2 94.807 114.665 81.673 HETATM 152 O1A CLA 2 94.869 115.084 80.530 HETATM 153 O2A CLA 2 93.718 114.759 82.461 HETATM 154 NB CLA 2 100.659 117.095 86.764 HETATM 155 C1B CLA 2 100.734 117.226 85.411 HETATM 156 C2B CLA 2 101.485 118.429 85.069 HETATM 157 C3B CLA 2 101.862 119.003 86.261 HETATM 158 C4B CLA 2 101.317 118.170 87.321 HETATM 159 CMB CLA 2 101.673 119.010 83.701 HETATM 160 CAB CLA 2 102.671 120.202 86.509 HETATM 161 CBB CLA 2 103.888 120.403 85.987 HETATM 162 NC CLA 2 100.108 116.603 89.596 HETATM 163 C1C CLA 2 100.948 117.665 89.748 HETATM 164 C2C CLA 2 101.128 117.972 91.155 HETATM 165 C3C CLA 2 100.336 117.093 91.851 HETATM 166 C4C CLA 2 99.673 116.261 90.861 HETATM 167 CMC CLA 2 102.003 119.052 91.707 HETATM 168 CAC CLA 2 100.216 116.944 93.337 HETATM 169 CBC CLA 2 101.143 115.837 93.875 HETATM 170 ND CLA 2 98.170 114.695 88.834 HETATM 171 C1D CLA 2 97.896 114.640 90.199 HETATM 172 C2D CLA 2 96.752 113.798 90.451 HETATM 173 C3D CLA 2 96.319 113.403 89.186 HETATM 174 C4D CLA 2 97.218 113.971 88.244 HETATM 175 CMD CLA 2 96.217 113.413 91.792 HETATM 176 CAD CLA 2 95.256 112.729 88.469 HETATM 177 OBD CLA 2 94.285 112.123 88.881 HETATM 178 CBD CLA 2 95.529 113.045 86.923 HETATM 179 CGD CLA 2 95.229 111.880 86.006 HETATM 180 O1D CLA 2 95.972 110.957 85.743 HETATM 181 O2D CLA 2 93.988 112.030 85.493 HETATM 182 CED CLA 2 93.494 111.035 84.579 HETATM 183 C1 CLA 2 92.519 115.344 81.910 HETATM 184 C2 CLA 2 92.177 116.561 82.747 HETATM 185 C3 CLA 2 91.266 116.584 83.733 HETATM 186 C4 CLA 2 90.374 115.372 84.111 HETATM 187 C5 CLA 2 91.031 117.869 84.540 HETATM 188 C6 CLA 2 91.048 117.750 86.088 HETATM 189 C7 CLA 2 90.654 119.137 86.594 HETATM 190 C8 CLA 2 89.780 119.272 87.855 HETATM 191 C9 CLA 2 90.561 119.009 89.137 HETATM 192 C10 CLA 2 88.595 118.331 87.766 HETATM 193 C11 CLA 2 87.435 118.873 87.002 HETATM 194 C12 CLA 2 86.390 117.818 87.120 HETATM 195 C13 CLA 2 84.965 118.201 86.768 HETATM 196 C14 CLA 2 84.057 117.075 87.227 HETATM 197 C15 CLA 2 84.804 118.433 85.242 HETATM 198 C16 CLA 2 84.812 119.863 84.694 HETATM 199 C17 CLA 2 83.734 120.089 83.639 HETATM 200 C18 CLA 2 83.914 121.301 82.693 HETATM 201 C19 CLA 2 82.713 121.453 81.767 HETATM 202 C20 CLA 2 84.091 122.599 83.466 HETATM 203 HHB CLA 2 100.458 116.419 83.462 HETATM 204 HHC CLA 2 102.067 119.287 88.937 HETATM 205 HHD CLA 2 98.367 115.235 92.187 HETATM 206 H2A CLA 2 97.398 112.662 84.267 HETATM 207 H3A CLA 2 98.624 114.768 82.772 HETATM 208 HMA1 CLA 2 99.428 112.410 82.798 HETATM 209 HMA2 CLA 2 100.004 112.606 84.468 HETATM 210 HMA3 CLA 2 100.769 113.525 83.158 HETATM 211 HAA1 CLA 2 96.327 115.487 83.804 HETATM 212 HAA2 CLA 2 95.347 114.177 84.419 HETATM 213 HBA1 CLA 2 95.638 112.855 82.409 HETATM 214 HBA2 CLA 2 96.801 113.995 81.733 HETATM 215 HMB1 CLA 2 100.866 118.703 83.027 HETATM 216 HMB2 CLA 2 102.628 118.733 83.240 HETATM 217 HMB3 CLA 2 101.647 120.099 83.767 HETATM 218 HAB CLA 2 102.271 120.938 87.207 HETATM 219 HBB1 CLA 2 104.348 119.666 85.334 HETATM 220 HBB2 CLA 2 104.465 121.289 86.233 HETATM 221 HMC1 CLA 2 101.492 120.023 91.711 HETATM 222 HMC2 CLA 2 102.905 119.161 91.098 HETATM 223 HMC3 CLA 2 102.319 118.828 92.732 HETATM 224 HAC1 CLA 2 99.185 116.710 93.627 HETATM 225 HAC2 CLA 2 100.458 117.903 93.813 HETATM 226 HBC1 CLA 2 102.191 116.099 93.696 HETATM 227 HBC2 CLA 2 100.937 114.897 93.351 HETATM 228 HBC3 CLA 2 100.989 115.669 94.944 HETATM 229 HMD1 CLA 2 96.013 114.284 92.423 HETATM 230 HMD2 CLA 2 96.951 112.802 92.334 HETATM 231 HMD3 CLA 2 95.305 112.822 91.690 HETATM 232 HBD CLA 2 94.782 113.812 86.685 HETATM 233 HED1 CLA 2 92.818 110.360 85.113 HETATM 234 HED2 CLA 2 94.320 110.472 84.136 HETATM 235 HED3 CLA 2 92.939 111.586 83.817 HETATM 236 H1A CLA 2 91.823 114.541 81.681 HETATM 237 H1B CLA 2 92.746 115.896 80.998 HETATM 238 H2 CLA 2 92.806 117.433 82.581 HETATM 239 H4A CLA 2 90.502 114.561 83.384 HETATM 240 H4B CLA 2 89.329 115.703 84.142 HETATM 241 H4C CLA 2 90.665 115.024 85.111 HETATM 242 H5A CLA 2 90.029 118.221 84.251 HETATM 243 H5B CLA 2 91.787 118.609 84.239 HETATM 244 H6A CLA 2 92.064 117.501 86.428 HETATM 245 H6B CLA 2 90.376 116.953 86.373 HETATM 246 H7A CLA 2 90.075 119.630 85.803 HETATM 247 H7B CLA 2 91.534 119.727 86.754 HETATM 248 H8 CLA 2 89.406 120.309 87.903 HETATM 249 H9A CLA 2 91.530 119.526 89.080 HETATM 250 H9B CLA 2 90.717 117.926 89.246 HETATM 251 H9C CLA 2 89.996 119.398 89.981 HETATM 252 H10A CLA 2 88.249 118.191 88.797 HETATM 253 H10B CLA 2 88.849 117.349 87.391 HETATM 254 H11A CLA 2 87.702 119.024 85.946 HETATM 255 H11B CLA 2 87.083 119.798 87.473 HETATM 256 H12A CLA 2 86.359 117.486 88.170 HETATM 257 H12B CLA 2 86.687 116.965 86.489 HETATM 258 H13 CLA 2 84.685 119.119 87.313 HETATM 259 H14A CLA 2 84.074 117.023 88.319 HETATM 260 H14B CLA 2 84.392 116.123 86.787 HETATM 261 H14C CLA 2 83.065 117.338 86.864 HETATM 262 H15A CLA 2 83.856 117.967 84.933 HETATM 263 H15B CLA 2 85.611 117.915 84.768 HETATM 264 H16A CLA 2 85.797 120.052 84.242 HETATM 265 H16B CLA 2 84.636 120.563 85.523 HETATM 266 H17A CLA 2 82.772 120.196 84.164 HETATM 267 H17B CLA 2 83.709 119.194 83.001 HETATM 268 H18 CLA 2 84.813 121.129 82.078 HETATM 269 H19A CLA 2 81.822 121.641 82.377 HETATM 270 H19B CLA 2 82.586 120.519 81.199 HETATM 271 H19C CLA 2 82.887 122.291 81.079 HETATM 272 H20A CLA 2 85.105 122.618 83.880 HETATM 273 H20B CLA 2 83.356 122.632 84.276 HETATM 274 H20C CLA 2 83.948 123.447 82.788 HETATM 275 MG CLA 3 90.135 119.722 80.451 HETATM 276 CHA CLA 3 92.427 121.053 82.741 HETATM 277 CHB CLA 3 87.865 122.003 81.553 HETATM 278 CHC CLA 3 88.345 119.302 77.526 HETATM 279 CHD CLA 3 92.760 117.932 78.999 HETATM 280 NA CLA 3 90.152 121.250 81.995 HETATM 281 C1A CLA 3 91.146 121.548 82.897 HETATM 282 C2A CLA 3 90.641 122.472 84.005 HETATM 283 C3A CLA 3 89.124 122.573 83.684 HETATM 284 C4A CLA 3 89.007 121.885 82.338 HETATM 285 CMA CLA 3 88.233 121.851 84.705 HETATM 286 CAA CLA 3 91.352 123.838 84.118 HETATM 287 CBA CLA 3 90.894 124.663 85.330 HETATM 288 CGA CLA 3 89.671 125.520 85.069 HETATM 289 O1A CLA 3 89.198 125.748 83.974 HETATM 290 O2A CLA 3 89.151 125.978 86.199 HETATM 291 NB CLA 3 88.352 120.452 79.703 HETATM 292 C1B CLA 3 87.608 121.431 80.293 HETATM 293 C2B CLA 3 86.559 121.865 79.391 HETATM 294 C3B CLA 3 86.723 121.144 78.235 HETATM 295 C4B CLA 3 87.853 120.245 78.430 HETATM 296 CMB CLA 3 85.560 122.960 79.630 HETATM 297 CAB CLA 3 86.018 121.453 76.984 HETATM 298 CBB CLA 3 84.720 121.229 76.799 HETATM 299 NC CLA 3 90.465 118.736 78.618 HETATM 300 C1C CLA 3 89.538 118.550 77.635 HETATM 301 C2C CLA 3 89.982 117.496 76.728 HETATM 302 C3C CLA 3 91.233 117.115 77.155 HETATM 303 C4C CLA 3 91.528 117.912 78.334 HETATM 304 CMC CLA 3 89.206 116.959 75.564 HETATM 305 CAC CLA 3 92.150 116.058 76.606 HETATM 306 CBC CLA 3 92.240 114.781 77.465 HETATM 307 ND CLA 3 92.144 119.469 80.794 HETATM 308 C1D CLA 3 93.096 118.724 80.103 HETATM 309 C2D CLA 3 94.408 118.921 80.681 HETATM 310 C3D CLA 3 94.210 119.829 81.721 HETATM 311 C4D CLA 3 92.813 120.113 81.756 HETATM 312 CMD CLA 3 95.670 118.311 80.162 HETATM 313 CAD CLA 3 94.870 120.721 82.675 HETATM 314 OBD CLA 3 96.047 120.984 82.828 HETATM 315 CBD CLA 3 93.721 121.500 83.424 HETATM 316 CGD CLA 3 93.787 121.424 84.949 HETATM 317 O1D CLA 3 93.808 122.415 85.657 HETATM 318 O2D CLA 3 93.796 120.182 85.460 HETATM 319 CED CLA 3 93.983 120.148 86.907 HETATM 320 C1 CLA 3 87.821 126.566 86.138 HETATM 321 C2 CLA 3 87.826 127.932 86.854 HETATM 322 C3 CLA 3 88.501 129.000 86.449 HETATM 323 C4 CLA 3 89.290 129.009 85.133 HETATM 324 C5 CLA 3 88.573 130.300 87.276 HETATM 325 C6 CLA 3 89.351 131.456 86.597 HETATM 326 C7 CLA 3 88.408 132.396 85.931 HETATM 327 C8 CLA 3 89.068 133.581 85.215 HETATM 328 C9 CLA 3 89.712 134.573 86.193 HETATM 329 C10 CLA 3 88.007 134.259 84.376 HETATM 330 C11 CLA 3 88.478 135.359 83.466 HETATM 331 C12 CLA 3 87.376 135.507 82.426 HETATM 332 C13 CLA 3 87.457 136.728 81.513 HETATM 333 C14 CLA 3 86.174 136.914 80.717 HETATM 334 C15 CLA 3 88.668 136.603 80.581 HETATM 335 C16 CLA 3 89.671 137.716 80.736 HETATM 336 C17 CLA 3 90.405 138.108 79.476 HETATM 337 C18 CLA 3 91.159 139.434 79.618 HETATM 338 C19 CLA 3 92.113 139.646 78.470 HETATM 339 C20 CLA 3 90.168 140.593 79.669 HETATM 340 HHB CLA 3 87.103 122.669 81.946 HETATM 341 HHC CLA 3 87.775 119.175 76.610 HETATM 342 HHD CLA 3 93.544 117.304 78.587 HETATM 343 H2A CLA 3 90.793 121.951 84.963 HETATM 344 H3A CLA 3 88.812 123.615 83.602 HETATM 345 HMA1 CLA 3 88.386 122.244 85.716 HETATM 346 HMA2 CLA 3 88.458 120.780 84.711 HETATM 347 HMA3 CLA 3 87.177 121.966 84.449 HETATM 348 HAA1 CLA 3 91.170 124.411 83.206 HETATM 349 HAA2 CLA 3 92.423 123.679 84.217 HETATM 350 HBA1 CLA 3 91.692 125.343 85.647 HETATM 351 HBA2 CLA 3 90.691 124.028 86.198 HETATM 352 HMB1 CLA 3 85.888 123.913 79.186 HETATM 353 HMB2 CLA 3 85.402 123.140 80.696 HETATM 354 HMB3 CLA 3 84.596 122.725 79.174 HETATM 355 HAB CLA 3 86.538 122.024 76.250 HETATM 356 HBB1 CLA 3 84.198 120.652 77.563 HETATM 357 HBB2 CLA 3 84.154 121.554 75.929 HETATM 358 HMC1 CLA 3 89.175 117.656 74.718 HETATM 359 HMC2 CLA 3 88.164 116.760 75.842 HETATM 360 HMC3 CLA 3 89.637 116.021 75.197 HETATM 361 HAC1 CLA 3 93.160 116.482 76.509 HETATM 362 HAC2 CLA 3 91.839 115.794 75.589 HETATM 363 HBC1 CLA 3 91.325 114.190 77.406 HETATM 364 HBC2 CLA 3 92.420 115.023 78.518 HETATM 365 HBC3 CLA 3 93.044 114.128 77.113 HETATM 366 HMD1 CLA 3 96.219 119.017 79.524 HETATM 367 HMD2 CLA 3 95.462 117.424 79.559 HETATM 368 HMD3 CLA 3 96.332 118.012 80.978 HETATM 369 HBD CLA 3 93.914 122.550 83.193 HETATM 370 HED1 CLA 3 93.509 121.011 87.370 HETATM 371 HED2 CLA 3 95.051 120.143 87.123 HETATM 372 HED3 CLA 3 93.513 119.228 87.261 HETATM 373 H1A CLA 3 87.259 125.928 86.825 HETATM 374 H1B CLA 3 87.434 126.441 85.113 HETATM 375 H2 CLA 3 87.330 127.989 87.823 HETATM 376 H4A CLA 3 88.821 128.290 84.471 HETATM 377 H4B CLA 3 90.309 128.706 85.340 HETATM 378 H4C CLA 3 89.238 129.976 84.631 HETATM 379 H5A CLA 3 89.080 130.052 88.222 HETATM 380 H5B CLA 3 87.546 130.620 87.515 HETATM 381 H6A CLA 3 90.149 131.129 85.929 HETATM 382 H6B CLA 3 89.810 132.024 87.415 HETATM 383 H7A CLA 3 87.715 132.793 86.692 HETATM 384 H7B CLA 3 87.839 131.815 85.188 HETATM 385 H8 CLA 3 89.849 133.189 84.542 HETATM 386 H9A CLA 3 90.501 134.057 86.757 HETATM 387 H9B CLA 3 88.939 134.945 86.883 HETATM 388 H9C CLA 3 90.149 135.407 85.628 HETATM 389 H10A CLA 3 87.243 134.674 85.055 HETATM 390 H10B CLA 3 87.546 133.475 83.752 HETATM 391 H11A CLA 3 89.420 135.066 82.980 HETATM 392 H11B CLA 3 88.588 136.294 84.037 HETATM 393 H12A CLA 3 86.420 135.569 82.951 HETATM 394 H12B CLA 3 87.371 134.608 81.793 HETATM 395 H13 CLA 3 87.560 137.601 82.157 HETATM 396 H14A CLA 3 85.321 137.128 81.362 HETATM 397 H14B CLA 3 85.948 136.028 80.123 HETATM 398 H14C CLA 3 86.306 137.748 80.032 HETATM 399 H15A CLA 3 88.320 136.582 79.550 HETATM 400 H15B CLA 3 89.186 135.654 80.781 HETATM 401 H16A CLA 3 90.376 137.474 81.533 HETATM 402 H16B CLA 3 89.132 138.589 81.091 HETATM 403 H17A CLA 3 89.703 138.175 78.645 HETATM 404 H17B CLA 3 91.097 137.305 79.217 HETATM 405 H18 CLA 3 91.744 139.415 80.541 HETATM 406 H19A CLA 3 91.606 139.802 77.519 HETATM 407 H19B CLA 3 92.765 138.782 78.357 HETATM 408 H19C CLA 3 92.752 140.508 78.652 HETATM 409 H20A CLA 3 89.561 140.602 80.572 HETATM 410 H20B CLA 3 89.489 140.586 78.815 HETATM 411 H20C CLA 3 90.688 141.551 79.656 HETATM 412 MG CLA 4 109.041 117.614 80.694 HETATM 413 CHA CLA 4 106.684 116.280 82.907 HETATM 414 CHB CLA 4 111.327 115.484 82.140 HETATM 415 CHC CLA 4 110.961 117.802 77.862 HETATM 416 CHD CLA 4 106.426 119.122 78.939 HETATM 417 NA CLA 4 109.019 116.186 82.385 HETATM 418 C1A CLA 4 107.963 115.859 83.194 HETATM 419 C2A CLA 4 108.397 114.981 84.369 HETATM 420 C3A CLA 4 109.943 114.993 84.226 HETATM 421 C4A CLA 4 110.141 115.590 82.847 HETATM 422 CMA CLA 4 110.646 115.870 85.273 HETATM 423 CAA CLA 4 107.787 113.560 84.328 HETATM 424 CBA CLA 4 107.899 112.753 85.634 HETATM 425 CGA CLA 4 109.164 111.920 85.790 HETATM 426 O1A CLA 4 110.036 111.798 84.950 HETATM 427 O2A CLA 4 109.181 111.306 86.981 HETATM 428 NB CLA 4 110.843 116.836 80.130 HETATM 429 C1B CLA 4 111.586 115.945 80.841 HETATM 430 C2B CLA 4 112.667 115.442 80.026 HETATM 431 C3B CLA 4 112.549 116.047 78.805 HETATM 432 C4B CLA 4 111.409 116.951 78.872 HETATM 433 CMB CLA 4 113.649 114.386 80.409 HETATM 434 CAB CLA 4 113.249 115.497 77.647 HETATM 435 CBB CLA 4 114.430 115.827 77.158 HETATM 436 NC CLA 4 108.777 118.423 78.776 HETATM 437 C1C CLA 4 109.758 118.549 77.839 HETATM 438 C2C CLA 4 109.330 119.470 76.801 HETATM 439 C3C CLA 4 108.048 119.859 77.119 HETATM 440 C4C CLA 4 107.699 119.162 78.347 HETATM 441 CMC CLA 4 110.155 119.890 75.629 HETATM 442 CAC CLA 4 107.182 120.847 76.391 HETATM 443 CBC CLA 4 107.277 122.268 76.975 HETATM 444 ND CLA 4 107.010 117.750 80.876 HETATM 445 C1D CLA 4 106.064 118.398 80.085 HETATM 446 C2D CLA 4 104.730 118.174 80.614 HETATM 447 C3D CLA 4 104.919 117.359 81.729 HETATM 448 C4D CLA 4 106.322 117.134 81.840 HETATM 449 CMD CLA 4 103.454 118.693 80.033 HETATM 450 CAD CLA 4 104.252 116.537 82.743 HETATM 451 OBD CLA 4 103.083 116.245 82.896 HETATM 452 CBD CLA 4 105.402 115.935 83.641 HETATM 453 CGD CLA 4 105.362 116.563 85.025 HETATM 454 O1D CLA 4 105.784 117.671 85.277 HETATM 455 O2D CLA 4 104.812 115.737 85.930 HETATM 456 CED CLA 4 104.631 116.292 87.255 HETATM 457 C1 CLA 4 110.326 110.473 87.337 HETATM 458 C2 CLA 4 110.119 109.085 86.663 HETATM 459 C3 CLA 4 110.195 107.897 87.259 HETATM 460 C4 CLA 4 110.562 107.701 88.738 HETATM 461 C5 CLA 4 109.955 106.607 86.495 HETATM 462 C6 CLA 4 111.153 106.381 85.557 HETATM 463 C7 CLA 4 110.959 105.199 84.667 HETATM 464 C8 CLA 4 112.241 104.748 83.960 HETATM 465 C9 CLA 4 112.826 105.859 83.080 HETATM 466 C10 CLA 4 111.929 103.529 83.132 HETATM 467 C11 CLA 4 113.133 102.714 82.694 HETATM 468 C12 CLA 4 112.602 101.439 81.999 HETATM 469 C13 CLA 4 111.775 100.426 82.810 HETATM 470 C14 CLA 4 112.378 100.162 84.201 HETATM 471 C15 CLA 4 111.662 99.142 81.966 HETATM 472 C16 CLA 4 111.022 97.962 82.656 HETATM 473 C17 CLA 4 110.554 96.859 81.733 HETATM 474 C18 CLA 4 110.807 95.417 82.238 HETATM 475 C19 CLA 4 110.492 95.215 83.700 HETATM 476 C20 CLA 4 109.966 94.466 81.418 HETATM 477 HHB CLA 4 112.102 114.875 82.585 HETATM 478 HHC CLA 4 111.582 117.849 76.971 HETATM 479 HHD CLA 4 105.635 119.659 78.422 HETATM 480 H2A CLA 4 108.085 115.466 85.305 HETATM 481 H3A CLA 4 110.345 113.977 84.272 HETATM 482 HMA1 CLA 4 110.475 115.480 86.280 HETATM 483 HMA2 CLA 4 110.271 116.898 85.233 HETATM 484 HMA3 CLA 4 111.727 115.904 85.096 HETATM 485 HAA1 CLA 4 108.259 113.003 83.514 HETATM 486 HAA2 CLA 4 106.726 113.640 84.081 HETATM 487 HBA1 CLA 4 107.072 112.038 85.703 HETATM 488 HBA2 CLA 4 107.791 113.398 86.515 HETATM 489 HMB1 CLA 4 113.152 113.446 80.676 HETATM 490 HMB2 CLA 4 114.227 114.703 81.280 HETATM 491 HMB3 CLA 4 114.350 114.193 79.592 HETATM 492 HAB CLA 4 112.843 114.580 77.289 HETATM 493 HBB1 CLA 4 114.945 116.630 77.636 HETATM 494 HBB2 CLA 4 114.912 115.269 76.363 HETATM 495 HMC1 CLA 4 110.572 119.017 75.116 HETATM 496 HMC2 CLA 4 111.006 120.520 75.923 HETATM 497 HMC3 CLA 4 109.571 120.456 74.896 HETATM 498 HAC1 CLA 4 106.132 120.532 76.417 HETATM 499 HAC2 CLA 4 107.464 120.875 75.330 HETATM 500 HBC1 CLA 4 108.304 122.643 76.924 HETATM 501 HBC2 CLA 4 106.966 122.268 78.027 HETATM 502 HBC3 CLA 4 106.630 122.964 76.427 HETATM 503 HMD1 CLA 4 102.964 117.939 79.402 HETATM 504 HMD2 CLA 4 103.633 119.573 79.408 HETATM 505 HMD3 CLA 4 102.749 118.969 80.824 HETATM 506 HBD CLA 4 105.202 114.865 83.717 HETATM 507 HED1 CLA 4 103.965 117.157 87.210 HETATM 508 HED2 CLA 4 105.597 116.594 87.670 HETATM 509 HED3 CLA 4 104.175 115.496 87.843 HETATM 510 H1A CLA 4 110.332 110.534 88.437 HETATM 511 H1B CLA 4 111.240 110.994 86.987 HETATM 512 H2 CLA 4 109.848 109.085 85.611 HETATM 513 H4A CLA 4 110.712 108.670 89.228 HETATM 514 H4B CLA 4 111.484 107.103 88.786 HETATM 515 H4C CLA 4 109.750 107.145 89.225 HETATM 516 H5A CLA 4 109.052 106.719 85.882 HETATM 517 H5B CLA 4 109.869 105.765 87.195 HETATM 518 H6A CLA 4 112.050 106.220 86.177 HETATM 519 H6B CLA 4 111.293 107.279 84.935 HETATM 520 H7A CLA 4 110.232 105.478 83.890 HETATM 521 H7B CLA 4 110.575 104.369 85.263 HETATM 522 H8 CLA 4 112.987 104.475 84.726 HETATM 523 H9A CLA 4 113.106 106.715 83.710 HETATM 524 H9B CLA 4 112.075 106.167 82.336 HETATM 525 H9C CLA 4 113.724 105.481 82.572 HETATM 526 H10A CLA 4 111.381 103.850 82.231 HETATM 527 H10B CLA 4 111.285 102.878 83.737 HETATM 528 H11A CLA 4 113.775 102.464 83.539 HETATM 529 H11B CLA 4 113.750 103.280 81.997 HETATM 530 H12A CLA 4 113.492 100.925 81.636 HETATM 531 H12B CLA 4 112.059 101.716 81.095 HETATM 532 H13 CLA 4 110.772 100.823 82.961 HETATM 533 H14A CLA 4 112.455 101.083 84.776 HETATM 534 H14B CLA 4 113.368 99.718 84.133 HETATM 535 H14C CLA 4 111.756 99.487 84.790 HETATM 536 H15A CLA 4 112.646 98.830 81.616 HETATM 537 H15B CLA 4 111.101 99.374 81.061 HETATM 538 H16A CLA 4 110.177 98.292 83.261 HETATM 539 H16B CLA 4 111.762 97.580 83.357 HETATM 540 H17A CLA 4 111.036 96.960 80.759 HETATM 541 H17B CLA 4 109.492 97.010 81.543 HETATM 542 H18 CLA 4 111.861 95.176 82.085 HETATM 543 H19A CLA 4 109.467 95.508 83.927 HETATM 544 H19B CLA 4 111.139 95.781 84.365 HETATM 545 H19C CLA 4 110.603 94.169 83.988 HETATM 546 H20A CLA 4 110.213 94.538 80.358 HETATM 547 H20B CLA 4 108.903 94.681 81.520 HETATM 548 H20C CLA 4 110.134 93.427 81.707 REMARK 400 REMARK 400 QM/MM-OPTIMIZED STRUCTURE FOR CHLOROPHYLL-A IN PSI REMARK 400 CHL-A/CHL-A HOMODIMER REMARK 400 HETATM 1 MG CLA 1 99.297 121.703 87.435 HETATM 2 CHA CLA 1 102.037 123.639 86.423 HETATM 3 CHB CLA 1 98.923 120.715 84.204 HETATM 4 CHC CLA 1 97.512 118.957 88.510 HETATM 5 CHD CLA 1 100.127 122.392 90.744 HETATM 6 NA CLA 1 100.314 122.181 85.590 HETATM 7 C1A CLA 1 101.343 123.066 85.377 HETATM 8 C2A CLA 1 101.540 123.333 83.886 HETATM 9 C3A CLA 1 100.243 122.718 83.293 HETATM 10 C4A CLA 1 99.785 121.788 84.405 HETATM 11 CMA CLA 1 99.175 123.808 83.072 HETATM 12 CAA CLA 1 102.840 122.741 83.312 HETATM 13 CBA CLA 1 103.095 123.227 81.874 HETATM 14 CGA CLA 1 104.321 122.627 81.223 HETATM 15 O1A CLA 1 104.449 122.355 80.041 HETATM 16 O2A CLA 1 105.300 122.424 82.116 HETATM 17 NB CLA 1 98.464 120.045 86.523 HETATM 18 C1B CLA 1 98.354 119.861 85.177 HETATM 19 C2B CLA 1 97.508 118.706 84.904 HETATM 20 C3B CLA 1 97.084 118.228 86.125 HETATM 21 C4B CLA 1 97.710 119.072 87.139 HETATM 22 CMB CLA 1 97.287 118.096 83.556 HETATM 23 CAB CLA 1 96.155 117.140 86.441 HETATM 24 CBB CLA 1 95.011 116.877 85.795 HETATM 25 NC CLA 1 98.845 120.860 89.288 HETATM 26 C1C CLA 1 98.046 119.780 89.521 HETATM 27 C2C CLA 1 97.843 119.596 90.950 HETATM 28 C3C CLA 1 98.564 120.587 91.570 HETATM 29 C4C CLA 1 99.203 121.364 90.522 HETATM 30 CMC CLA 1 97.027 118.530 91.623 HETATM 31 CAC CLA 1 98.649 120.871 93.039 HETATM 32 CBC CLA 1 97.724 122.031 93.457 HETATM 33 ND CLA 1 100.760 122.752 88.416 HETATM 34 C1D CLA 1 100.891 123.052 89.768 HETATM 35 C2D CLA 1 101.895 124.071 89.959 HETATM 36 C3D CLA 1 102.382 124.334 88.679 HETATM 37 C4D CLA 1 101.663 123.497 87.783 HETATM 38 CMD CLA 1 102.332 124.673 91.255 HETATM 39 CAD CLA 1 103.315 125.136 87.911 HETATM 40 OBD CLA 1 103.954 126.125 88.220 HETATM 41 CBD CLA 1 103.359 124.413 86.484 HETATM 42 CGD CLA 1 103.750 125.299 85.334 HETATM 43 O1D CLA 1 103.070 126.161 84.817 HETATM 44 O2D CLA 1 105.001 124.983 84.914 HETATM 45 CED CLA 1 105.508 125.686 83.771 HETATM 46 C1 CLA 1 106.477 121.741 81.657 HETATM 47 C2 CLA 1 106.923 120.847 82.789 HETATM 48 C3 CLA 1 107.984 121.096 83.568 HETATM 49 C4 CLA 1 108.984 122.251 83.316 HETATM 50 C5 CLA 1 108.306 120.211 84.780 HETATM 51 C6 CLA 1 108.183 121.000 86.124 HETATM 52 C7 CLA 1 107.953 120.056 87.294 HETATM 53 C8 CLA 1 109.025 118.961 87.576 HETATM 54 C9 CLA 1 108.639 118.124 88.814 HETATM 55 C10 CLA 1 110.383 119.625 87.776 HETATM 56 C11 CLA 1 111.542 118.687 87.974 HETATM 57 C12 CLA 1 112.806 119.544 87.932 HETATM 58 C13 CLA 1 114.135 118.770 87.818 HETATM 59 C14 CLA 1 115.354 119.682 88.003 HETATM 60 C15 CLA 1 114.169 117.993 86.459 HETATM 61 C16 CLA 1 113.999 118.807 85.170 HETATM 62 C17 CLA 1 114.082 118.000 83.880 HETATM 63 C18 CLA 1 114.127 118.897 82.621 HETATM 64 C19 CLA 1 114.750 118.174 81.448 HETATM 65 C20 CLA 1 112.725 119.350 82.246 HETATM 66 HHB CLA 1 98.651 120.526 83.172 HETATM 67 HHC CLA 1 96.873 118.147 88.846 HETATM 68 HHD CLA 1 100.304 122.675 91.779 HETATM 69 H2A CLA 1 101.557 124.417 83.720 HETATM 70 H3A CLA 1 100.417 122.180 82.355 HETATM 71 HMA1 CLA 1 99.524 124.527 82.323 HETATM 72 HMA2 CLA 1 98.987 124.351 84.004 HETATM 73 HMA3 CLA 1 98.228 123.371 82.739 HETATM 74 HAA1 CLA 1 102.792 121.648 83.330 HETATM 75 HAA2 CLA 1 103.691 123.014 83.941 HETATM 76 HBA1 CLA 1 103.218 124.320 81.876 HETATM 77 HBA2 CLA 1 102.248 123.012 81.223 HETATM 78 HMB1 CLA 1 97.614 118.772 82.762 HETATM 79 HMB2 CLA 1 96.237 117.848 83.381 HETATM 80 HMB3 CLA 1 97.870 117.172 83.461 HETATM 81 HAB CLA 1 96.425 116.511 87.287 HETATM 82 HBB1 CLA 1 94.664 117.483 84.963 HETATM 83 HBB2 CLA 1 94.374 116.048 86.088 HETATM 84 HMC1 CLA 1 97.657 117.886 92.245 HETATM 85 HMC2 CLA 1 96.525 117.879 90.901 HETATM 86 HMC3 CLA 1 96.260 118.965 92.276 HETATM 87 HAC1 CLA 1 99.683 121.106 93.324 HETATM 88 HAC2 CLA 1 98.377 119.961 93.589 HETATM 89 HBC1 CLA 1 96.674 121.766 93.290 HETATM 90 HBC2 CLA 1 97.938 122.925 92.859 HETATM 91 HBC3 CLA 1 97.852 122.290 94.513 HETATM 92 HMD1 CLA 1 102.546 123.900 92.003 HETATM 93 HMD2 CLA 1 101.562 125.330 91.681 HETATM 94 HMD3 CLA 1 103.236 125.267 91.111 HETATM 95 HBD CLA 1 104.172 123.679 86.586 HETATM 96 HED1 CLA 1 105.226 126.740 83.788 HETATM 97 HED2 CLA 1 105.125 125.219 82.857 HETATM 98 HED3 CLA 1 106.592 125.584 83.809 HETATM 99 H1A CLA 1 107.045 122.384 80.976 HETATM 100 H1B CLA 1 106.209 120.835 81.105 HETATM 101 H2 CLA 1 106.304 119.980 83.012 HETATM 102 H4A CLA 1 109.033 122.577 82.279 HETATM 103 H4B CLA 1 109.992 121.934 83.583 HETATM 104 H4C CLA 1 108.728 123.107 83.942 HETATM 105 H5A CLA 1 109.304 119.781 84.679 HETATM 106 H5B CLA 1 107.617 119.366 84.790 HETATM 107 H6A CLA 1 107.317 121.662 86.059 HETATM 108 H6B CLA 1 109.040 121.656 86.279 HETATM 109 H7A CLA 1 106.987 119.566 87.152 HETATM 110 H7B CLA 1 107.838 120.662 88.193 HETATM 111 H8 CLA 1 109.068 118.294 86.716 HETATM 112 H9A CLA 1 107.674 117.639 88.663 HETATM 113 H9B CLA 1 108.547 118.744 89.706 HETATM 114 H9C CLA 1 109.357 117.334 89.024 HETATM 115 H10A CLA 1 110.332 120.325 88.612 HETATM 116 H10B CLA 1 110.592 120.223 86.890 HETATM 117 H11A CLA 1 111.533 117.950 87.176 HETATM 118 H11B CLA 1 111.484 118.145 88.917 HETATM 119 H12A CLA 1 112.836 120.138 88.846 HETATM 120 H12B CLA 1 112.764 120.284 87.134 HETATM 121 H13 CLA 1 114.167 118.035 88.626 HETATM 122 H14A CLA 1 115.351 120.142 88.990 HETATM 123 H14B CLA 1 115.380 120.481 87.265 HETATM 124 H14C CLA 1 116.282 119.117 87.918 HETATM 125 H15A CLA 1 113.434 117.191 86.473 HETATM 126 H15B CLA 1 115.126 117.470 86.409 HETATM 127 H16A CLA 1 114.706 119.624 85.173 HETATM 128 H16B CLA 1 113.019 119.282 85.187 HETATM 129 H17A CLA 1 113.237 117.312 83.817 HETATM 130 H17B CLA 1 114.954 117.353 83.917 HETATM 131 H18 CLA 1 114.735 119.779 82.827 HETATM 132 H19A CLA 1 114.201 117.266 81.208 HETATM 133 H19B CLA 1 115.779 117.884 81.665 HETATM 134 H19C CLA 1 114.767 118.799 80.555 HETATM 135 H20A CLA 1 112.217 119.841 83.076 HETATM 136 H20B CLA 1 112.099 118.510 81.947 HETATM 137 H20C CLA 1 112.744 120.063 81.426 HETATM 138 MG CLA 2 99.679 115.617 87.831 HETATM 139 CHA CLA 2 96.867 113.753 86.930 HETATM 140 CHB CLA 2 100.217 116.268 84.540 HETATM 141 CHC CLA 2 101.523 118.398 88.708 HETATM 142 CHD CLA 2 98.660 115.359 91.174 HETATM 143 NA CLA 2 98.704 115.032 86.026 HETATM 144 C1A CLA 2 97.649 114.168 85.869 HETATM 145 C2A CLA 2 97.467 113.771 84.412 HETATM 146 C3A CLA 2 98.793 114.275 83.782 HETATM 147 C4A CLA 2 99.295 115.267 84.825 HETATM 148 CMA CLA 2 99.813 113.136 83.594 HETATM 149 CAA CLA 2 96.206 114.410 83.806 HETATM 150 CBA CLA 2 95.929 113.911 82.386 HETATM 151 CGA CLA 2 94.815 114.655 81.687 HETATM 152 O1A CLA 2 94.875 115.071 80.541 HETATM 153 O2A CLA 2 93.730 114.763 82.475 HETATM 154 NB CLA 2 100.703 117.080 86.796 HETATM 155 C1B CLA 2 100.791 117.195 85.442 HETATM 156 C2B CLA 2 101.568 118.377 85.092 HETATM 157 C3B CLA 2 101.947 118.959 86.282 HETATM 158 C4B CLA 2 101.373 118.150 87.348 HETATM 159 CMB CLA 2 101.763 118.954 83.723 HETATM 160 CAB CLA 2 102.754 120.159 86.498 HETATM 161 CBB CLA 2 103.867 120.462 85.814 HETATM 162 NC CLA 2 100.140 116.591 89.627 HETATM 163 C1C CLA 2 100.970 117.663 89.776 HETATM 164 C2C CLA 2 101.134 117.980 91.183 HETATM 165 C3C CLA 2 100.353 117.092 91.879 HETATM 166 C4C CLA 2 99.699 116.254 90.890 HETATM 167 CMC CLA 2 101.977 119.085 91.735 HETATM 168 CAC CLA 2 100.226 116.946 93.365 HETATM 169 CBC CLA 2 101.144 115.835 93.910 HETATM 170 ND CLA 2 98.130 114.762 88.863 HETATM 171 C1D CLA 2 97.879 114.681 90.231 HETATM 172 C2D CLA 2 96.731 113.841 90.487 HETATM 173 C3D CLA 2 96.277 113.470 89.223 HETATM 174 C4D CLA 2 97.168 114.046 88.277 HETATM 175 CMD CLA 2 96.226 113.425 91.830 HETATM 176 CAD CLA 2 95.221 112.779 88.506 HETATM 177 OBD CLA 2 94.269 112.143 88.917 HETATM 178 CBD CLA 2 95.486 113.100 86.961 HETATM 179 CGD CLA 2 95.210 111.916 86.059 HETATM 180 O1D CLA 2 95.951 110.976 85.861 HETATM 181 O2D CLA 2 93.997 112.063 85.483 HETATM 182 CED CLA 2 93.536 111.033 84.590 HETATM 183 C1 CLA 2 92.536 115.350 81.914 HETATM 184 C2 CLA 2 92.177 116.561 82.747 HETATM 185 C3 CLA 2 91.266 116.584 83.733 HETATM 186 C4 CLA 2 90.374 115.372 84.111 HETATM 187 C5 CLA 2 91.031 117.869 84.540 HETATM 188 C6 CLA 2 91.048 117.750 86.088 HETATM 189 C7 CLA 2 90.654 119.137 86.594 HETATM 190 C8 CLA 2 89.780 119.272 87.855 HETATM 191 C9 CLA 2 90.561 119.009 89.137 HETATM 192 C10 CLA 2 88.595 118.331 87.766 HETATM 193 C11 CLA 2 87.435 118.873 87.002 HETATM 194 C12 CLA 2 86.390 117.818 87.120 HETATM 195 C13 CLA 2 84.965 118.201 86.768 HETATM 196 C14 CLA 2 84.057 117.075 87.227 HETATM 197 C15 CLA 2 84.804 118.433 85.242 HETATM 198 C16 CLA 2 84.812 119.863 84.694 HETATM 199 C17 CLA 2 83.734 120.089 83.639 HETATM 200 C18 CLA 2 83.914 121.301 82.693 HETATM 201 C19 CLA 2 82.713 121.453 81.767 HETATM 202 C20 CLA 2 84.091 122.599 83.466 HETATM 203 HHB CLA 2 100.513 116.359 83.503 HETATM 204 HHC CLA 2 102.100 119.276 88.976 HETATM 205 HHD CLA 2 98.394 115.231 92.220 HETATM 206 H2A CLA 2 97.386 112.680 84.333 HETATM 207 H3A CLA 2 98.631 114.768 82.818 HETATM 208 HMA1 CLA 2 99.437 112.405 82.869 HETATM 209 HMA2 CLA 2 99.996 112.618 84.543 HETATM 210 HMA3 CLA 2 100.769 113.530 83.233 HETATM 211 HAA1 CLA 2 96.321 115.496 83.806 HETATM 212 HAA2 CLA 2 95.334 114.193 84.426 HETATM 213 HBA1 CLA 2 95.651 112.849 82.429 HETATM 214 HBA2 CLA 2 96.813 113.991 81.753 HETATM 215 HMB1 CLA 2 101.027 118.559 83.016 HETATM 216 HMB2 CLA 2 102.763 118.778 83.310 HETATM 217 HMB3 CLA 2 101.621 120.036 83.774 HETATM 218 HAB CLA 2 102.415 120.841 87.277 HETATM 219 HBB1 CLA 2 104.272 119.801 85.052 HETATM 220 HBB2 CLA 2 104.425 121.373 86.015 HETATM 221 HMC1 CLA 2 101.432 120.038 91.736 HETATM 222 HMC2 CLA 2 102.873 119.223 91.124 HETATM 223 HMC3 CLA 2 102.298 118.874 92.760 HETATM 224 HAC1 CLA 2 99.192 116.717 93.651 HETATM 225 HAC2 CLA 2 100.469 117.905 93.839 HETATM 226 HBC1 CLA 2 102.195 116.091 93.738 HETATM 227 HBC2 CLA 2 100.937 114.894 93.388 HETATM 228 HBC3 CLA 2 100.983 115.669 94.979 HETATM 229 HMD1 CLA 2 96.056 114.278 92.495 HETATM 230 HMD2 CLA 2 96.964 112.782 92.329 HETATM 231 HMD3 CLA 2 95.301 112.854 91.737 HETATM 232 HBD CLA 2 94.732 113.856 86.712 HETATM 233 HED1 CLA 2 92.892 110.338 85.140 HETATM 234 HED2 CLA 2 94.378 110.497 84.146 HETATM 235 HED3 CLA 2 92.950 111.550 83.828 HETATM 236 H1A CLA 2 91.916 114.555 81.493 HETATM 237 H1B CLA 2 92.797 116.042 81.108 HETATM 238 H2 CLA 2 92.748 117.463 82.582 HETATM 239 H4A CLA 2 90.530 114.524 83.444 HETATM 240 H4B CLA 2 89.323 115.646 84.058 HETATM 241 H4C CLA 2 90.592 115.030 85.121 HETATM 242 H5A CLA 2 90.053 118.226 84.213 HETATM 243 H5B CLA 2 91.746 118.633 84.229 HETATM 244 H6A CLA 2 92.033 117.460 86.451 HETATM 245 H6B CLA 2 90.385 116.943 86.360 HETATM 246 H7A CLA 2 90.041 119.618 85.834 HETATM 247 H7B CLA 2 91.475 119.829 86.658 HETATM 248 H8 CLA 2 89.424 120.304 87.914 HETATM 249 H9A CLA 2 91.524 119.519 89.122 HETATM 250 H9B CLA 2 90.747 117.947 89.290 HETATM 251 H9C CLA 2 90.035 119.391 90.001 HETATM 252 H10A CLA 2 88.242 118.217 88.787 HETATM 253 H10B CLA 2 88.822 117.308 87.493 HETATM 254 H11A CLA 2 87.676 119.065 85.957 HETATM 255 H11B CLA 2 87.094 119.799 87.450 HETATM 256 H12A CLA 2 86.343 117.476 88.155 HETATM 257 H12B CLA 2 86.689 116.940 86.545 HETATM 258 H13 CLA 2 84.672 119.102 87.313 HETATM 259 H14A CLA 2 84.017 117.000 88.308 HETATM 260 H14B CLA 2 84.330 116.107 86.806 HETATM 261 H14C CLA 2 83.083 117.355 86.847 HETATM 262 H15A CLA 2 83.899 117.936 84.893 HETATM 263 H15B CLA 2 85.598 117.908 84.759 HETATM 264 H16A CLA 2 85.795 120.068 84.271 HETATM 265 H16B CLA 2 84.672 120.580 85.499 HETATM 266 H17A CLA 2 82.765 120.138 84.136 HETATM 267 H17B CLA 2 83.715 119.211 82.994 HETATM 268 H18 CLA 2 84.802 121.134 82.079 HETATM 269 H19A CLA 2 81.800 121.628 82.327 HETATM 270 H19B CLA 2 82.564 120.551 81.172 HETATM 271 H19C CLA 2 82.841 122.282 81.070 HETATM 272 H20A CLA 2 85.104 122.649 83.856 HETATM 273 H20B CLA 2 83.403 122.675 84.302 HETATM 274 H20C CLA 2 83.956 123.471 82.831 HETATM 275 MG CLA 3 90.228 119.923 80.325 HETATM 276 CHA CLA 3 92.452 121.118 82.729 HETATM 277 CHB CLA 3 87.870 122.026 81.557 HETATM 278 CHC CLA 3 88.349 119.323 77.527 HETATM 279 CHD CLA 3 92.782 117.975 79.000 HETATM 280 NA CLA 3 90.176 121.321 81.976 HETATM 281 C1A CLA 3 91.170 121.616 82.882 HETATM 282 C2A CLA 3 90.649 122.504 84.013 HETATM 283 C3A CLA 3 89.132 122.600 83.687 HETATM 284 C4A CLA 3 89.027 121.948 82.323 HETATM 285 CMA CLA 3 88.241 121.869 84.700 HETATM 286 CAA CLA 3 91.347 123.873 84.141 HETATM 287 CBA CLA 3 90.883 124.700 85.350 HETATM 288 CGA CLA 3 89.643 125.535 85.085 HETATM 289 O1A CLA 3 89.208 125.797 83.976 HETATM 290 O2A CLA 3 89.082 125.944 86.225 HETATM 291 NB CLA 3 88.369 120.499 79.693 HETATM 292 C1B CLA 3 87.613 121.459 80.294 HETATM 293 C2B CLA 3 86.544 121.870 79.406 HETATM 294 C3B CLA 3 86.710 121.152 78.244 HETATM 295 C4B CLA 3 87.851 120.266 78.431 HETATM 296 CMB CLA 3 85.547 122.961 79.661 HETATM 297 CAB CLA 3 85.981 121.468 77.013 HETATM 298 CBB CLA 3 84.699 121.191 76.821 HETATM 299 NC CLA 3 90.508 118.814 78.572 HETATM 300 C1C CLA 3 89.549 118.574 77.633 HETATM 301 C2C CLA 3 89.982 117.486 76.760 HETATM 302 C3C CLA 3 91.236 117.112 77.188 HETATM 303 C4C CLA 3 91.560 117.969 78.315 HETATM 304 CMC CLA 3 89.197 116.906 75.623 HETATM 305 CAC CLA 3 92.145 116.031 76.667 HETATM 306 CBC CLA 3 92.199 114.762 77.545 HETATM 307 ND CLA 3 92.178 119.560 80.758 HETATM 308 C1D CLA 3 93.117 118.767 80.105 HETATM 309 C2D CLA 3 94.421 118.936 80.706 HETATM 310 C3D CLA 3 94.227 119.855 81.737 HETATM 311 C4D CLA 3 92.840 120.189 81.734 HETATM 312 CMD CLA 3 95.677 118.303 80.201 HETATM 313 CAD CLA 3 94.887 120.737 82.698 HETATM 314 OBD CLA 3 96.067 120.975 82.879 HETATM 315 CBD CLA 3 93.745 121.532 83.435 HETATM 316 CGD CLA 3 93.816 121.373 84.950 HETATM 317 O1D CLA 3 93.860 122.314 85.717 HETATM 318 O2D CLA 3 93.833 120.095 85.354 HETATM 319 CED CLA 3 94.035 119.924 86.784 HETATM 320 C1 CLA 3 87.777 126.585 86.122 HETATM 321 C2 CLA 3 87.826 127.932 86.854 HETATM 322 C3 CLA 3 88.501 129.000 86.449 HETATM 323 C4 CLA 3 89.290 129.009 85.133 HETATM 324 C5 CLA 3 88.573 130.300 87.276 HETATM 325 C6 CLA 3 89.351 131.456 86.597 HETATM 326 C7 CLA 3 88.408 132.396 85.931 HETATM 327 C8 CLA 3 89.068 133.581 85.215 HETATM 328 C9 CLA 3 89.712 134.573 86.193 HETATM 329 C10 CLA 3 88.007 134.259 84.376 HETATM 330 C11 CLA 3 88.478 135.359 83.466 HETATM 331 C12 CLA 3 87.376 135.507 82.426 HETATM 332 C13 CLA 3 87.457 136.728 81.513 HETATM 333 C14 CLA 3 86.174 136.914 80.717 HETATM 334 C15 CLA 3 88.668 136.603 80.581 HETATM 335 C16 CLA 3 89.671 137.716 80.736 HETATM 336 C17 CLA 3 90.405 138.108 79.476 HETATM 337 C18 CLA 3 91.159 139.434 79.618 HETATM 338 C19 CLA 3 92.113 139.646 78.470 HETATM 339 C20 CLA 3 90.168 140.593 79.669 HETATM 340 HHB CLA 3 87.098 122.676 81.960 HETATM 341 HHC CLA 3 87.741 119.135 76.646 HETATM 342 HHD CLA 3 93.552 117.307 78.625 HETATM 343 H2A CLA 3 90.800 121.970 84.963 HETATM 344 H3A CLA 3 88.813 123.642 83.614 HETATM 345 HMA1 CLA 3 88.385 122.263 85.712 HETATM 346 HMA2 CLA 3 88.472 120.799 84.705 HETATM 347 HMA3 CLA 3 87.185 121.977 84.440 HETATM 348 HAA1 CLA 3 91.166 124.448 83.231 HETATM 349 HAA2 CLA 3 92.420 123.717 84.241 HETATM 350 HBA1 CLA 3 91.673 125.399 85.643 HETATM 351 HBA2 CLA 3 90.704 124.072 86.231 HETATM 352 HMB1 CLA 3 85.870 123.916 79.226 HETATM 353 HMB2 CLA 3 85.392 123.125 80.730 HETATM 354 HMB3 CLA 3 84.579 122.724 79.211 HETATM 355 HAB CLA 3 86.503 122.061 76.277 HETATM 356 HBB1 CLA 3 84.217 120.569 77.563 HETATM 357 HBB2 CLA 3 84.134 121.496 75.946 HETATM 358 HMC1 CLA 3 89.165 117.577 74.757 HETATM 359 HMC2 CLA 3 88.157 116.715 75.912 HETATM 360 HMC3 CLA 3 89.628 115.956 75.287 HETATM 361 HAC1 CLA 3 93.163 116.436 76.580 HETATM 362 HAC2 CLA 3 91.846 115.756 75.649 HETATM 363 HBC1 CLA 3 91.303 114.154 77.436 HETATM 364 HBC2 CLA 3 92.314 115.014 78.604 HETATM 365 HBC3 CLA 3 93.032 114.117 77.249 HETATM 366 HMD1 CLA 3 96.237 118.996 79.560 HETATM 367 HMD2 CLA 3 95.458 117.415 79.604 HETATM 368 HMD3 CLA 3 96.331 117.998 81.021 HETATM 369 HBD CLA 3 93.957 122.585 83.237 HETATM 370 HED1 CLA 3 93.508 120.704 87.337 HETATM 371 HED2 CLA 3 95.102 119.983 87.002 HETATM 372 HED3 CLA 3 93.645 118.938 87.029 HETATM 373 H1A CLA 3 87.171 125.971 86.807 HETATM 374 H1B CLA 3 87.391 126.466 85.094 HETATM 375 H2 CLA 3 87.319 128.001 87.810 HETATM 376 H4A CLA 3 88.784 128.340 84.453 HETATM 377 H4B CLA 3 90.293 128.640 85.276 HETATM 378 H4C CLA 3 89.279 129.952 84.593 HETATM 379 H5A CLA 3 89.093 130.039 88.200 HETATM 380 H5B CLA 3 87.571 130.600 87.590 HETATM 381 H6A CLA 3 90.219 131.173 86.007 HETATM 382 H6B CLA 3 89.781 132.024 87.418 HETATM 383 H7A CLA 3 87.677 132.764 86.654 HETATM 384 H7B CLA 3 87.838 131.811 85.207 HETATM 385 H8 CLA 3 89.839 133.192 84.546 HETATM 386 H9A CLA 3 90.501 134.097 86.774 HETATM 387 H9B CLA 3 88.981 134.974 86.896 HETATM 388 H9C CLA 3 90.171 135.414 85.673 HETATM 389 H10A CLA 3 87.210 134.635 85.021 HETATM 390 H10B CLA 3 87.543 133.478 83.769 HETATM 391 H11A CLA 3 89.426 135.100 82.993 HETATM 392 H11B CLA 3 88.629 136.285 84.023 HETATM 393 H12A CLA 3 86.420 135.569 82.951 HETATM 394 H12B CLA 3 87.308 134.607 81.816 HETATM 395 H13 CLA 3 87.560 137.601 82.157 HETATM 396 H14A CLA 3 85.321 137.128 81.362 HETATM 397 H14B CLA 3 85.948 136.028 80.123 HETATM 398 H14C CLA 3 86.306 137.748 80.032 HETATM 399 H15A CLA 3 88.320 136.582 79.550 HETATM 400 H15B CLA 3 89.179 135.647 80.702 HETATM 401 H16A CLA 3 90.376 137.474 81.533 HETATM 402 H16B CLA 3 89.132 138.589 81.091 HETATM 403 H17A CLA 3 89.703 138.175 78.645 HETATM 404 H17B CLA 3 91.097 137.305 79.217 HETATM 405 H18 CLA 3 91.744 139.415 80.541 HETATM 406 H19A CLA 3 91.606 139.802 77.519 HETATM 407 H19B CLA 3 92.765 138.782 78.357 HETATM 408 H19C CLA 3 92.752 140.508 78.652 HETATM 409 H20A CLA 3 89.561 140.602 80.572 HETATM 410 H20B CLA 3 89.489 140.586 78.815 HETATM 411 H20C CLA 3 90.688 141.551 79.656 HETATM 412 MG CLA 4 109.035 117.623 80.701 HETATM 413 CHA CLA 4 106.667 116.266 82.897 HETATM 414 CHB CLA 4 111.336 115.552 82.163 HETATM 415 CHC CLA 4 110.921 117.714 77.816 HETATM 416 CHD CLA 4 106.430 119.163 78.973 HETATM 417 NA CLA 4 109.012 116.196 82.371 HETATM 418 C1A CLA 4 107.955 115.862 83.177 HETATM 419 C2A CLA 4 108.392 114.998 84.360 HETATM 420 C3A CLA 4 109.939 115.063 84.250 HETATM 421 C4A CLA 4 110.145 115.642 82.860 HETATM 422 CMA CLA 4 110.583 115.991 85.291 HETATM 423 CAA CLA 4 107.828 113.559 84.304 HETATM 424 CBA CLA 4 107.922 112.756 85.616 HETATM 425 CGA CLA 4 109.172 111.904 85.785 HETATM 426 O1A CLA 4 110.043 111.762 84.949 HETATM 427 O2A CLA 4 109.171 111.293 86.981 HETATM 428 NB CLA 4 110.851 116.847 80.103 HETATM 429 C1B CLA 4 111.588 115.976 80.844 HETATM 430 C2B CLA 4 112.655 115.427 80.041 HETATM 431 C3B CLA 4 112.527 115.971 78.792 HETATM 432 C4B CLA 4 111.398 116.893 78.835 HETATM 433 CMB CLA 4 113.637 114.393 80.472 HETATM 434 CAB CLA 4 113.270 115.404 77.668 HETATM 435 CBB CLA 4 114.429 115.817 77.188 HETATM 436 NC CLA 4 108.760 118.395 78.788 HETATM 437 C1C CLA 4 109.728 118.484 77.825 HETATM 438 C2C CLA 4 109.307 119.411 76.789 HETATM 439 C3C CLA 4 108.050 119.852 77.134 HETATM 440 C4C CLA 4 107.701 119.171 78.370 HETATM 441 CMC CLA 4 110.128 119.808 75.605 HETATM 442 CAC CLA 4 107.215 120.880 76.423 HETATM 443 CBC CLA 4 107.313 122.278 77.063 HETATM 444 ND CLA 4 106.997 117.764 80.897 HETATM 445 C1D CLA 4 106.062 118.436 80.115 HETATM 446 C2D CLA 4 104.723 118.205 80.633 HETATM 447 C3D CLA 4 104.900 117.365 81.732 HETATM 448 C4D CLA 4 106.301 117.132 81.844 HETATM 449 CMD CLA 4 103.456 118.732 80.038 HETATM 450 CAD CLA 4 104.233 116.531 82.736 HETATM 451 OBD CLA 4 103.063 116.248 82.892 HETATM 452 CBD CLA 4 105.386 115.904 83.623 HETATM 453 CGD CLA 4 105.339 116.490 85.027 HETATM 454 O1D CLA 4 105.886 117.524 85.350 HETATM 455 O2D CLA 4 104.625 115.721 85.863 HETATM 456 CED CLA 4 104.456 116.252 87.199 HETATM 457 C1 CLA 4 110.292 110.434 87.334 HETATM 458 C2 CLA 4 110.119 109.085 86.663 HETATM 459 C3 CLA 4 110.195 107.897 87.259 HETATM 460 C4 CLA 4 110.562 107.701 88.738 HETATM 461 C5 CLA 4 109.955 106.607 86.495 HETATM 462 C6 CLA 4 111.153 106.381 85.557 HETATM 463 C7 CLA 4 110.959 105.199 84.667 HETATM 464 C8 CLA 4 112.241 104.748 83.960 HETATM 465 C9 CLA 4 112.826 105.859 83.080 HETATM 466 C10 CLA 4 111.929 103.529 83.132 HETATM 467 C11 CLA 4 113.133 102.714 82.694 HETATM 468 C12 CLA 4 112.602 101.439 81.999 HETATM 469 C13 CLA 4 111.775 100.426 82.810 HETATM 470 C14 CLA 4 112.378 100.162 84.201 HETATM 471 C15 CLA 4 111.662 99.142 81.966 HETATM 472 C16 CLA 4 111.022 97.962 82.656 HETATM 473 C17 CLA 4 110.554 96.859 81.733 HETATM 474 C18 CLA 4 110.807 95.417 82.238 HETATM 475 C19 CLA 4 110.492 95.215 83.700 HETATM 476 C20 CLA 4 109.966 94.466 81.418 HETATM 477 HHB CLA 4 112.128 114.980 82.629 HETATM 478 HHC CLA 4 111.506 117.728 76.900 HETATM 479 HHD CLA 4 105.647 119.716 78.463 HETATM 480 H2A CLA 4 108.040 115.475 85.286 HETATM 481 H3A CLA 4 110.380 114.065 84.321 HETATM 482 HMA1 CLA 4 110.397 115.627 86.306 HETATM 483 HMA2 CLA 4 110.169 117.002 85.208 HETATM 484 HMA3 CLA 4 111.665 116.060 85.139 HETATM 485 HAA1 CLA 4 108.345 113.018 83.506 HETATM 486 HAA2 CLA 4 106.774 113.607 84.019 HETATM 487 HBA1 CLA 4 107.083 112.056 85.685 HETATM 488 HBA2 CLA 4 107.824 113.408 86.493 HETATM 489 HMB1 CLA 4 113.133 113.496 80.847 HETATM 490 HMB2 CLA 4 114.262 114.771 81.287 HETATM 491 HMB3 CLA 4 114.303 114.104 79.654 HETATM 492 HAB CLA 4 112.949 114.440 77.334 HETATM 493 HBB1 CLA 4 114.868 116.670 77.661 HETATM 494 HBB2 CLA 4 114.966 115.276 76.417 HETATM 495 HMC1 CLA 4 110.650 118.944 75.183 HETATM 496 HMC2 CLA 4 110.896 120.550 75.861 HETATM 497 HMC3 CLA 4 109.516 120.238 74.805 HETATM 498 HAC1 CLA 4 106.161 120.578 76.404 HETATM 499 HAC2 CLA 4 107.533 120.942 75.374 HETATM 500 HBC1 CLA 4 108.347 122.638 77.064 HETATM 501 HBC2 CLA 4 106.963 122.255 78.101 HETATM 502 HBC3 CLA 4 106.702 123.004 76.514 HETATM 503 HMD1 CLA 4 103.012 118.011 79.339 HETATM 504 HMD2 CLA 4 103.636 119.657 79.481 HETATM 505 HMD3 CLA 4 102.712 118.937 80.815 HETATM 506 HBD CLA 4 105.179 114.832 83.670 HETATM 507 HED1 CLA 4 104.005 117.245 87.154 HETATM 508 HED2 CLA 4 105.428 116.314 87.699 HETATM 509 HED3 CLA 4 103.797 115.554 87.714 HETATM 510 H1A CLA 4 110.489 110.613 88.389 HETATM 511 H1B CLA 4 111.156 110.700 86.726 HETATM 512 H2 CLA 4 109.866 109.076 85.613 HETATM 513 H4A CLA 4 110.722 108.637 89.270 HETATM 514 H4B CLA 4 111.473 107.108 88.822 HETATM 515 H4C CLA 4 109.763 107.163 89.249 HETATM 516 H5A CLA 4 109.036 106.702 85.920 HETATM 517 H5B CLA 4 109.806 105.774 87.182 HETATM 518 H6A CLA 4 112.045 106.237 86.170 HETATM 519 H6B CLA 4 111.332 107.270 84.952 HETATM 520 H7A CLA 4 110.229 105.463 83.903 HETATM 521 H7B CLA 4 110.533 104.378 85.237 HETATM 522 H8 CLA 4 112.972 104.475 84.724 HETATM 523 H9A CLA 4 113.121 106.728 83.668 HETATM 524 H9B CLA 4 112.117 106.194 82.322 HETATM 525 H9C CLA 4 113.728 105.525 82.568 HETATM 526 H10A CLA 4 111.331 103.808 82.263 HETATM 527 H10B CLA 4 111.285 102.884 83.729 HETATM 528 H11A CLA 4 113.775 102.464 83.539 HETATM 529 H11B CLA 4 113.750 103.280 81.997 HETATM 530 H12A CLA 4 113.492 100.925 81.636 HETATM 531 H12B CLA 4 112.059 101.716 81.095 HETATM 532 H13 CLA 4 110.772 100.823 82.961 HETATM 533 H14A CLA 4 112.455 101.083 84.776 HETATM 534 H14B CLA 4 113.368 99.718 84.133 HETATM 535 H14C CLA 4 111.756 99.487 84.790 HETATM 536 H15A CLA 4 112.646 98.830 81.616 HETATM 537 H15B CLA 4 111.101 99.374 81.061 HETATM 538 H16A CLA 4 110.177 98.292 83.261 HETATM 539 H16B CLA 4 111.762 97.580 83.357 HETATM 540 H17A CLA 4 111.036 96.960 80.759 HETATM 541 H17B CLA 4 109.492 97.010 81.543 HETATM 542 H18 CLA 4 111.861 95.176 82.085 HETATM 543 H19A CLA 4 109.467 95.508 83.927 HETATM 544 H19B CLA 4 111.139 95.781 84.365 HETATM 545 H19C CLA 4 110.603 94.169 83.988 HETATM 546 H20A CLA 4 110.213 94.538 80.358 HETATM 547 H20B CLA 4 108.903 94.681 81.520 HETATM 548 H20C CLA 4 110.134 93.427 81.707 END