GROningen MAchine for Chemical Simulation 579 1LEU N 1 0.984 2.470 1.401 1LEU H1 2 0.904 2.420 1.433 1LEU H2 3 0.999 2.561 1.442 1LEU H3 4 0.896 2.433 1.432 1LEU CA 5 0.984 2.473 1.253 1LEU HA 6 1.000 2.368 1.229 1LEU CB 7 0.852 2.532 1.203 1LEU HB1 8 0.841 2.638 1.224 1LEU HB2 9 0.773 2.477 1.253 1LEU CG 10 0.836 2.500 1.054 1LEU HG 11 0.917 2.543 0.995 1LEU CD1 12 0.835 2.353 1.013 1LEU HD11 13 0.746 2.311 1.061 1LEU HD12 14 0.825 2.344 0.905 1LEU HD13 15 0.923 2.298 1.046 1LEU CD2 16 0.710 2.570 1.006 1LEU HD21 17 0.707 2.564 0.897 1LEU HD22 18 0.624 2.517 1.047 1LEU HD23 19 0.706 2.675 1.037 1LEU C 20 1.105 2.549 1.202 1LEU O 21 1.138 2.652 1.262 2SER N 22 1.169 2.506 1.093 2SER HN 23 1.169 2.410 1.061 2SER CA 24 1.266 2.585 1.021 2SER HA 25 1.317 2.647 1.094 2SER CB 26 1.368 2.491 0.956 2SER HB1 27 1.398 2.412 1.025 2SER HB2 28 1.455 2.548 0.925 2SER OG 29 1.316 2.440 0.836 2SER HG1 30 1.250 2.374 0.857 2SER C 31 1.202 2.694 0.936 2SER O 32 1.091 2.677 0.885 3ASP N 33 1.275 2.802 0.908 3ASP HN 34 1.372 2.802 0.936 3ASP CA 35 1.240 2.899 0.805 3ASP HA 36 1.135 2.928 0.808 3ASP CB 37 1.324 3.026 0.819 3ASP HB1 38 1.324 3.092 0.733 3ASP HB2 39 1.427 3.004 0.849 3ASP CG 40 1.261 3.107 0.932 3ASP OD1 41 1.183 3.202 0.909 3ASP OD2 42 1.280 3.073 1.051 3ASP C 43 1.271 2.846 0.666 3ASP O 44 1.239 2.911 0.566 4GLU N 45 1.330 2.727 0.658 4GLU HN 46 1.355 2.683 0.745 4GLU CA 47 1.366 2.667 0.531 4GLU HA 48 1.390 2.741 0.454 4GLU CB 49 1.490 2.580 0.550 4GLU HB1 50 1.497 2.516 0.462 4GLU HB2 51 1.480 2.518 0.639 4GLU CG 52 1.615 2.667 0.558 4GLU HG1 53 1.698 2.601 0.583 4GLU HG2 54 1.608 2.746 0.632 4GLU CD 55 1.669 2.750 0.442 4GLU OE1 56 1.633 2.713 0.328 4GLU OE2 57 1.724 2.859 0.466 4GLU C 58 1.246 2.587 0.483 4GLU O 59 1.219 2.576 0.363 5ASP N 60 1.184 2.513 0.574 5ASP HN 61 1.230 2.517 0.664 5ASP CA 62 1.053 2.453 0.558 5ASP HA 63 1.054 2.383 0.475 5ASP CB 64 1.023 2.364 0.678 5ASP HB1 65 0.917 2.342 0.673 5ASP HB2 66 1.044 2.422 0.768 5ASP CG 67 1.094 2.230 0.687 5ASP OD1 68 1.100 2.170 0.577 5ASP OD2 69 1.146 2.192 0.794 5ASP C 70 0.939 2.553 0.541 5ASP O 71 0.849 2.524 0.462 6PHE N 72 0.944 2.670 0.605 6PHE HN 73 1.023 2.682 0.667 6PHE CA 74 0.851 2.776 0.575 6PHE HA 75 0.751 2.734 0.585 6PHE CB 76 0.862 2.886 0.680 6PHE HB1 77 0.958 2.934 0.663 6PHE HB2 78 0.864 2.832 0.775 6PHE CG 79 0.756 2.993 0.683 6PHE CD1 80 0.752 3.095 0.587 6PHE HD1 81 0.836 3.095 0.519 6PHE CE1 82 0.643 3.181 0.576 6PHE HE1 83 0.648 3.258 0.501 6PHE CZ 84 0.533 3.162 0.660 6PHE HZ 85 0.442 3.221 0.653 6PHE CD2 86 0.637 2.963 0.752 6PHE HD2 87 0.625 2.874 0.811 6PHE CE2 88 0.528 3.050 0.743 6PHE HE2 89 0.432 3.029 0.789 6PHE C 90 0.869 2.841 0.438 6PHE O 91 0.777 2.858 0.359 7LYS N 92 0.992 2.853 0.388 7LYS HN 93 1.071 2.841 0.450 7LYS CA 94 1.024 2.912 0.259 7LYS HA 95 0.948 2.986 0.234 7LYS CB 96 1.164 2.972 0.268 7LYS HB1 97 1.238 2.897 0.297 7LYS HB2 98 1.155 3.047 0.347 7LYS CG 99 1.203 3.041 0.137 7LYS HG1 100 1.125 3.113 0.114 7LYS HG2 101 1.219 2.976 0.051 7LYS CD 102 1.329 3.126 0.150 7LYS HD1 103 1.298 3.220 0.197 7LYS HD2 104 1.356 3.145 0.046 7LYS CE 105 1.441 3.061 0.229 7LYS HE1 106 1.402 3.031 0.326 7LYS HE2 107 1.524 3.131 0.243 7LYS NZ 108 1.507 2.948 0.160 7LYS HZ1 109 1.581 2.913 0.219 7LYS HZ2 110 1.440 2.874 0.143 7LYS HZ3 111 1.545 2.980 0.072 7LYS C 112 1.004 2.805 0.152 7LYS O 113 0.965 2.835 0.040 8ALA N 114 1.019 2.676 0.183 8ALA HN 115 1.057 2.652 0.273 8ALA CA 116 0.982 2.569 0.094 8ALA HA 117 1.028 2.584 -0.004 8ALA CB 118 1.032 2.438 0.153 8ALA HB1 119 0.987 2.422 0.251 8ALA HB2 120 1.003 2.358 0.085 8ALA HB3 121 0.991 2.424 0.243 8ALA C 122 0.832 2.567 0.065 8ALA O 123 0.792 2.511 -0.036 9VAL N 124 0.750 2.638 0.143 9VAL HN 125 0.788 2.678 0.227 9VAL CA 126 0.610 2.652 0.109 9VAL HA 127 0.591 2.580 0.030 9VAL CB 128 0.515 2.603 0.218 9VAL HB 129 0.540 2.654 0.310 9VAL CG1 130 0.367 2.625 0.188 9VAL HG11 131 0.302 2.594 0.269 9VAL HG12 132 0.364 2.734 0.179 9VAL HG13 133 0.332 2.580 0.094 9VAL CG2 134 0.530 2.452 0.237 9VAL HG21 135 0.628 2.430 0.281 9VAL HG22 136 0.452 2.420 0.305 9VAL HG23 137 0.521 2.399 0.142 9VAL C 138 0.582 2.790 0.051 9VAL O 139 0.517 2.800 -0.053 10PHE N 140 0.630 2.896 0.117 10PHE HN 141 0.689 2.884 0.198 10PHE CA 142 0.592 3.035 0.101 10PHE HA 143 0.503 3.034 0.039 10PHE CB 144 0.551 3.086 0.239 10PHE HB1 145 0.520 3.190 0.227 10PHE HB2 146 0.633 3.081 0.311 10PHE CG 147 0.428 3.019 0.295 10PHE CD1 148 0.306 3.038 0.231 10PHE HD1 149 0.308 3.091 0.137 10PHE CE1 150 0.186 2.988 0.285 10PHE HE1 151 0.097 3.019 0.233 10PHE CZ 152 0.191 2.943 0.417 10PHE HZ 153 0.098 2.931 0.469 10PHE CD2 154 0.433 2.948 0.417 10PHE HD2 155 0.531 2.930 0.459 10PHE CE2 156 0.313 2.912 0.479 10PHE HE2 157 0.306 2.865 0.576 10PHE C 158 0.690 3.135 0.042 10PHE O 159 0.664 3.255 0.035 11GLY N 160 0.808 3.087 0.003 11GLY HN 161 0.825 2.988 0.007 11GLY CA 162 0.890 3.174 -0.079 11GLY HA1 163 0.826 3.218 -0.156 11GLY HA2 164 0.962 3.107 -0.126 11GLY C 165 0.974 3.276 -0.004 11GLY O 166 1.064 3.335 -0.065 12MET N 167 0.947 3.308 0.123 12MET HN 168 0.872 3.260 0.171 12MET CA 169 1.022 3.396 0.210 12MET HA 170 1.127 3.394 0.180 12MET CB 171 0.969 3.539 0.196 12MET HB1 172 0.960 3.574 0.093 12MET HB2 173 1.039 3.603 0.250 12MET CG 174 0.834 3.551 0.266 12MET HG1 175 0.846 3.541 0.374 12MET HG2 176 0.767 3.474 0.229 12MET SD 177 0.762 3.716 0.251 12MET CE 178 0.689 3.699 0.086 12MET HE1 179 0.615 3.619 0.093 12MET HE2 180 0.640 3.790 0.053 12MET HE3 181 0.622 3.624 0.087 12MET C 182 1.027 3.336 0.350 12MET O 183 0.975 3.226 0.366 13THR N 184 1.086 3.399 0.451 13THR HN 185 1.102 3.496 0.429 13THR CA 186 1.104 3.350 0.587 13THR HA 187 1.104 3.241 0.591 13THR CB 188 1.235 3.405 0.641 13THR HB 189 1.249 3.365 0.742 13THR OG1 190 1.237 3.546 0.637 13THR HG1 191 1.325 3.576 0.658 13THR CG2 192 1.355 3.355 0.561 13THR HG21 193 1.446 3.397 0.603 13THR HG22 194 1.358 3.247 0.567 13THR HG23 195 1.346 3.385 0.456 13THR C 196 0.988 3.394 0.675 13THR O 197 0.905 3.475 0.634 14ARG N 198 0.977 3.346 0.799 14ARG HN 199 1.050 3.284 0.830 14ARG CA 200 0.882 3.397 0.896 14ARG HA 201 0.782 3.394 0.854 14ARG CB 202 0.880 3.319 1.027 14ARG HB1 203 0.815 3.370 1.097 14ARG HB2 204 0.981 3.314 1.067 14ARG CG 205 0.833 3.176 1.002 14ARG HG1 206 0.898 3.130 0.928 14ARG HG2 207 0.731 3.182 0.962 14ARG CD 208 0.846 3.088 1.125 14ARG HD1 209 0.792 2.994 1.111 14ARG HD2 210 0.808 3.139 1.214 14ARG NE 211 0.987 3.066 1.157 14ARG HE 212 1.053 3.114 1.097 14ARG CZ 213 1.031 2.986 1.255 14ARG NH1 214 0.951 2.903 1.322 14ARG HH11 215 0.851 2.911 1.305 14ARG HH12 216 0.984 2.858 1.406 14ARG NH2 217 1.163 2.978 1.276 14ARG HH21 218 1.214 3.026 1.204 14ARG HH22 219 1.212 2.917 1.340 14ARG C 220 0.907 3.543 0.932 14ARG O 221 0.810 3.612 0.962 15SER N 222 1.031 3.592 0.922 15SER HN 223 1.098 3.524 0.888 15SER CA 224 1.068 3.730 0.943 15SER HA 225 1.034 3.758 1.043 15SER CB 226 1.219 3.751 0.940 15SER HB1 227 1.241 3.858 0.952 15SER HB2 228 1.257 3.717 0.844 15SER OG 229 1.288 3.682 1.042 15SER HG1 230 1.324 3.601 1.005 15SER C 231 1.005 3.826 0.843 15SER O 232 0.954 3.933 0.874 16ALA N 233 1.014 3.775 0.720 16ALA HN 234 1.080 3.699 0.714 16ALA CA 235 0.964 3.838 0.600 16ALA HA 236 0.975 3.946 0.603 16ALA CB 237 1.047 3.777 0.487 16ALA HB1 238 1.032 3.824 0.389 16ALA HB2 239 1.148 3.798 0.522 16ALA HB3 240 1.034 3.678 0.485 16ALA C 241 0.813 3.822 0.584 16ALA O 242 0.746 3.920 0.554 17PHE N 243 0.756 3.711 0.631 17PHE HN 244 0.813 3.629 0.641 17PHE CA 245 0.612 3.694 0.642 17PHE HA 246 0.574 3.732 0.548 17PHE CB 247 0.586 3.544 0.657 17PHE HB1 248 0.626 3.514 0.754 17PHE HB2 249 0.640 3.494 0.577 17PHE CG 250 0.446 3.488 0.651 17PHE CD1 251 0.374 3.470 0.770 17PHE HD1 252 0.411 3.509 0.863 17PHE CE1 253 0.244 3.419 0.759 17PHE HE1 254 0.198 3.385 0.851 17PHE CZ 255 0.183 3.401 0.635 17PHE HZ 256 0.083 3.360 0.622 17PHE CD2 257 0.389 3.462 0.525 17PHE HD2 258 0.446 3.470 0.434 17PHE CE2 259 0.254 3.428 0.517 17PHE HE2 260 0.220 3.393 0.421 17PHE C 261 0.554 3.776 0.757 17PHE O 262 0.446 3.831 0.742 18ALA N 263 0.623 3.789 0.871 18ALA HN 264 0.715 3.748 0.878 18ALA CA 265 0.580 3.879 0.976 18ALA HA 266 0.482 3.843 1.008 18ALA CB 267 0.672 3.871 1.097 18ALA HB1 268 0.640 3.943 1.171 18ALA HB2 269 0.668 3.770 1.139 18ALA HB3 270 0.765 3.896 1.070 18ALA C 271 0.563 4.025 0.937 18ALA O 272 0.482 4.101 0.991 19ASN N 273 0.638 4.067 0.835 19ASN HN 274 0.702 3.999 0.797 19ASN CA 275 0.648 4.203 0.785 19ASN HA 276 0.622 4.267 0.870 19ASN CB 277 0.792 4.231 0.743 19ASN HB1 278 0.814 4.159 0.664 19ASN HB2 279 0.858 4.212 0.828 19ASN CG 280 0.804 4.370 0.682 19ASN OD1 281 0.777 4.470 0.748 19ASN ND2 282 0.829 4.381 0.552 19ASN HD21 283 0.844 4.308 0.484 19ASN HD22 284 0.838 4.478 0.525 19ASN C 285 0.536 4.231 0.687 19ASN O 286 0.506 4.347 0.658 20LEU N 287 0.468 4.126 0.638 20LEU HN 288 0.496 4.032 0.663 20LEU CA 289 0.353 4.146 0.553 20LEU HA 290 0.384 4.231 0.492 20LEU CB 291 0.333 4.022 0.467 20LEU HB1 292 0.253 4.044 0.396 20LEU HB2 293 0.303 3.939 0.530 20LEU CG 294 0.450 3.972 0.382 20LEU HG 295 0.533 3.941 0.445 20LEU CD1 296 0.398 3.854 0.301 20LEU HD11 297 0.366 3.771 0.364 20LEU HD12 298 0.316 3.886 0.237 20LEU HD13 299 0.482 3.822 0.239 20LEU CD2 300 0.491 4.077 0.278 20LEU HD21 301 0.536 4.158 0.334 20LEU HD22 302 0.562 4.039 0.205 20LEU HD23 303 0.401 4.113 0.228 20LEU C 304 0.222 4.181 0.622 20LEU O 305 0.191 4.134 0.731 21PRO N 306 0.140 4.263 0.556 21PRO CD 307 0.171 4.339 0.436 21PRO HD1 308 0.219 4.281 0.357 21PRO HD2 309 0.238 4.420 0.467 21PRO CA 310 -0.000 4.282 0.588 21PRO HA 311 -0.017 4.307 0.693 21PRO CB 312 -0.056 4.392 0.498 21PRO HB1 313 -0.157 4.378 0.461 21PRO HB2 314 -0.050 4.485 0.554 21PRO CG 315 0.042 4.398 0.381 21PRO HG1 316 -0.005 4.338 0.303 21PRO HG2 317 0.059 4.499 0.344 21PRO C 318 -0.074 4.152 0.563 21PRO O 319 -0.033 4.069 0.482 22LEU N 320 -0.181 4.130 0.641 22LEU HN 321 -0.197 4.193 0.718 22LEU CA 322 -0.243 4.000 0.659 22LEU HA 323 -0.163 3.927 0.675 22LEU CB 324 -0.333 4.004 0.781 22LEU HB1 325 -0.399 4.088 0.757 22LEU HB2 326 -0.278 4.027 0.872 22LEU CG 327 -0.416 3.878 0.805 22LEU HG 328 -0.493 3.889 0.729 22LEU CD1 329 -0.341 3.745 0.798 22LEU HD11 330 -0.294 3.727 0.895 22LEU HD12 331 -0.418 3.671 0.780 22LEU HD13 332 -0.265 3.739 0.719 22LEU CD2 333 -0.493 3.886 0.936 22LEU HD21 334 -0.428 3.885 1.024 22LEU HD22 335 -0.552 3.978 0.934 22LEU HD23 336 -0.560 3.800 0.940 22LEU C 337 -0.315 3.958 0.532 22LEU O 338 -0.297 3.848 0.479 23TRP N 339 -0.391 4.049 0.470 23TRP HN 340 -0.404 4.138 0.517 23TRP CA 341 -0.431 4.023 0.333 23TRP HA 342 -0.509 3.946 0.339 23TRP CB 343 -0.496 4.151 0.282 23TRP HB1 344 -0.560 4.195 0.359 23TRP HB2 345 -0.557 4.121 0.197 23TRP CG 346 -0.410 4.257 0.221 23TRP CD1 347 -0.354 4.360 0.289 23TRP HD1 348 -0.391 4.393 0.385 23TRP NE1 349 -0.288 4.444 0.201 23TRP HE1 350 -0.242 4.532 0.218 23TRP CE2 351 -0.282 4.387 0.075 23TRP CD2 352 -0.353 4.265 0.088 23TRP CE3 353 -0.362 4.185 -0.027 23TRP HE3 354 -0.399 4.092 -0.020 23TRP CZ3 355 -0.320 4.234 -0.152 23TRP HZ3 356 -0.340 4.177 -0.242 23TRP CZ2 357 -0.234 4.439 -0.046 23TRP HZ2 358 -0.193 4.539 -0.044 23TRP CH2 359 -0.253 4.356 -0.157 23TRP HH2 360 -0.231 4.392 -0.257 23TRP C 361 -0.321 3.974 0.240 23TRP O 362 -0.341 3.878 0.165 24LYS N 363 -0.199 4.027 0.249 24LYS HN 364 -0.177 4.102 0.314 24LYS CA 365 -0.086 3.987 0.169 24LYS HA 366 -0.120 3.969 0.068 24LYS CB 367 0.010 4.104 0.150 24LYS HB1 368 0.051 4.141 0.244 24LYS HB2 369 -0.043 4.184 0.099 24LYS CG 370 0.111 4.064 0.042 24LYS HG1 371 0.067 4.017 -0.045 24LYS HG2 372 0.177 3.994 0.093 24LYS CD 373 0.190 4.183 -0.013 24LYS HD1 374 0.231 4.228 0.078 24LYS HD2 375 0.116 4.251 -0.056 24LYS CE 376 0.301 4.144 -0.109 24LYS HE1 377 0.384 4.092 -0.061 24LYS HE2 378 0.335 4.242 -0.144 24LYS NZ 379 0.255 4.070 -0.227 24LYS HZ1 380 0.272 3.971 -0.220 24LYS HZ2 381 0.155 4.086 -0.233 24LYS HZ3 382 0.300 4.107 -0.309 24LYS C 383 -0.025 3.852 0.206 24LYS O 384 0.014 3.777 0.117 25GLN N 385 -0.028 3.815 0.335 25GLN HN 386 -0.058 3.884 0.402 25GLN CA 387 -0.009 3.678 0.380 25GLN HA 388 0.089 3.646 0.344 25GLN CB 389 -0.009 3.661 0.532 25GLN HB1 390 -0.003 3.554 0.554 25GLN HB2 391 -0.106 3.700 0.563 25GLN CG 392 0.108 3.735 0.597 25GLN HG1 393 0.102 3.839 0.566 25GLN HG2 394 0.204 3.693 0.566 25GLN CD 395 0.090 3.734 0.748 25GLN OE1 396 -0.016 3.706 0.804 25GLN NE2 397 0.183 3.793 0.824 25GLN HE21 398 0.271 3.816 0.779 25GLN HE22 399 0.178 3.787 0.924 25GLN C 400 -0.113 3.582 0.325 25GLN O 401 -0.085 3.469 0.286 26GLN N 402 -0.239 3.624 0.315 26GLN HN 403 -0.257 3.708 0.367 26GLN CA 404 -0.349 3.543 0.266 26GLN HA 405 -0.330 3.440 0.298 26GLN CB 406 -0.485 3.587 0.321 26GLN HB1 407 -0.552 3.543 0.247 26GLN HB2 408 -0.495 3.696 0.319 26GLN CG 409 -0.510 3.538 0.463 26GLN HG1 410 -0.426 3.556 0.530 26GLN HG2 411 -0.523 3.431 0.449 26GLN CD 412 -0.627 3.600 0.539 26GLN OE1 413 -0.695 3.691 0.492 26GLN NE2 414 -0.655 3.542 0.656 26GLN HE21 415 -0.598 3.467 0.692 26GLN HE22 416 -0.722 3.588 0.716 26GLN C 417 -0.351 3.529 0.115 26GLN O 418 -0.371 3.419 0.063 27ASN N 419 -0.308 3.630 0.040 27ASN HN 420 -0.313 3.723 0.081 27ASN CA 421 -0.277 3.624 -0.102 27ASN HA 422 -0.363 3.589 -0.160 27ASN CB 423 -0.240 3.765 -0.147 27ASN HB1 424 -0.329 3.828 -0.151 27ASN HB2 425 -0.166 3.810 -0.082 27ASN CG 426 -0.187 3.772 -0.290 27ASN OD1 427 -0.073 3.743 -0.326 27ASN ND2 428 -0.271 3.816 -0.384 27ASN HD21 429 -0.248 3.818 -0.482 27ASN HD22 430 -0.363 3.844 -0.352 27ASN C 431 -0.168 3.523 -0.132 27ASN O 432 -0.176 3.448 -0.229 28LEU N 433 -0.064 3.520 -0.048 28LEU HN 434 -0.049 3.593 0.020 28LEU CA 435 0.036 3.415 -0.054 28LEU HA 436 0.062 3.402 -0.159 28LEU CB 437 0.153 3.464 0.030 28LEU HB1 438 0.124 3.445 0.133 28LEU HB2 439 0.166 3.571 0.015 28LEU CG 440 0.291 3.400 0.017 28LEU HG 441 0.287 3.291 0.009 28LEU CD1 442 0.367 3.443 -0.108 28LEU HD11 443 0.301 3.437 -0.194 28LEU HD12 444 0.404 3.546 -0.098 28LEU HD13 445 0.451 3.375 -0.122 28LEU CD2 446 0.377 3.440 0.136 28LEU HD21 447 0.338 3.401 0.230 28LEU HD22 448 0.474 3.395 0.114 28LEU HD23 449 0.389 3.548 0.145 28LEU C 450 -0.002 3.272 -0.015 28LEU O 451 0.051 3.176 -0.070 29LYS N 452 -0.094 3.252 0.080 29LYS HN 453 -0.127 3.328 0.138 29LYS CA 454 -0.159 3.125 0.103 29LYS HA 455 -0.089 3.042 0.108 29LYS CB 456 -0.238 3.134 0.233 29LYS HB1 457 -0.303 3.046 0.235 29LYS HB2 458 -0.299 3.224 0.233 29LYS CG 459 -0.154 3.130 0.360 29LYS HG1 460 -0.073 3.203 0.361 29LYS HG2 461 -0.112 3.030 0.368 29LYS CD 462 -0.241 3.149 0.484 29LYS HD1 463 -0.316 3.070 0.484 29LYS HD2 464 -0.290 3.246 0.473 29LYS CE 465 -0.165 3.140 0.616 29LYS HE1 466 -0.113 3.235 0.630 29LYS HE2 467 -0.093 3.059 0.615 29LYS NZ 468 -0.253 3.102 0.728 29LYS HZ1 469 -0.303 3.022 0.693 29LYS HZ2 470 -0.197 3.075 0.807 29LYS HZ3 471 -0.319 3.174 0.756 29LYS C 472 -0.253 3.087 -0.011 29LYS O 473 -0.223 2.980 -0.064 30LYS N 474 -0.351 3.165 -0.057 30LYS HN 475 -0.362 3.256 -0.015 30LYS CA 476 -0.442 3.129 -0.164 30LYS HA 477 -0.492 3.033 -0.148 30LYS CB 478 -0.552 3.234 -0.180 30LYS HB1 479 -0.606 3.213 -0.272 30LYS HB2 480 -0.506 3.333 -0.187 30LYS CG 481 -0.645 3.230 -0.059 30LYS HG1 482 -0.599 3.270 0.032 30LYS HG2 483 -0.687 3.132 -0.040 30LYS CD 484 -0.766 3.319 -0.084 30LYS HD1 485 -0.835 3.257 -0.141 30LYS HD2 486 -0.745 3.411 -0.140 30LYS CE 487 -0.839 3.370 0.040 30LYS HE1 488 -0.917 3.441 0.011 30LYS HE2 489 -0.764 3.421 0.100 30LYS NZ 490 -0.891 3.260 0.123 30LYS HZ1 491 -0.979 3.232 0.083 30LYS HZ2 492 -0.827 3.182 0.123 30LYS HZ3 493 -0.906 3.291 0.218 30LYS C 494 -0.376 3.108 -0.299 30LYS O 495 -0.424 3.024 -0.375 31GLU N 496 -0.259 3.166 -0.326 31GLU HN 497 -0.234 3.243 -0.266 31GLU CA 498 -0.172 3.131 -0.436 31GLU HA 499 -0.225 3.170 -0.523 31GLU CB 500 -0.038 3.201 -0.418 31GLU HB1 501 0.012 3.174 -0.324 31GLU HB2 502 -0.067 3.306 -0.414 31GLU CG 503 0.060 3.178 -0.533 31GLU HG1 504 0.009 3.178 -0.629 31GLU HG2 505 0.109 3.082 -0.518 31GLU CD 506 0.170 3.283 -0.526 31GLU OE1 507 0.157 3.398 -0.572 31GLU OE2 508 0.272 3.265 -0.456 31GLU C 509 -0.150 2.982 -0.454 31GLU O 510 -0.143 2.942 -0.570 32LYS N 511 -0.139 2.903 -0.347 32LYS HN 512 -0.154 2.948 -0.257 32LYS CA 513 -0.108 2.762 -0.353 32LYS HA 514 -0.111 2.728 -0.457 32LYS CB 515 0.024 2.730 -0.284 32LYS HB1 516 0.024 2.622 -0.271 32LYS HB2 517 0.023 2.779 -0.186 32LYS CG 518 0.148 2.777 -0.360 32LYS HG1 519 0.158 2.885 -0.363 32LYS HG2 520 0.136 2.739 -0.461 32LYS CD 521 0.270 2.719 -0.289 32LYS HD1 522 0.258 2.611 -0.291 32LYS HD2 523 0.267 2.753 -0.185 32LYS CE 524 0.384 2.778 -0.371 32LYS HE1 525 0.380 2.885 -0.349 32LYS HE2 526 0.378 2.763 -0.479 32LYS NZ 527 0.516 2.725 -0.334 32LYS HZ1 528 0.524 2.626 -0.353 32LYS HZ2 529 0.584 2.775 -0.388 32LYS HZ3 530 0.531 2.742 -0.236 32LYS C 531 -0.220 2.680 -0.290 32LYS O 532 -0.209 2.559 -0.268 33GLY N 533 -0.337 2.738 -0.264 33GLY HN 534 -0.345 2.831 -0.303 33GLY CA 535 -0.458 2.674 -0.218 33GLY HA1 536 -0.475 2.581 -0.273 33GLY HA2 537 -0.539 2.744 -0.240 33GLY C 538 -0.459 2.648 -0.068 33GLY O 539 -0.542 2.573 -0.018 34LEU N 540 -0.375 2.717 0.010 34LEU HN 541 -0.318 2.780 -0.044 34LEU CA 542 -0.345 2.701 0.151 34LEU HA 543 -0.362 2.597 0.178 34LEU CB 544 -0.197 2.728 0.173 34LEU HB1 545 -0.178 2.700 0.276 34LEU HB2 546 -0.184 2.836 0.162 34LEU CG 547 -0.093 2.662 0.082 34LEU HG 548 -0.133 2.667 -0.020 34LEU CD1 549 0.035 2.744 0.088 34LEU HD11 550 0.045 2.739 0.197 34LEU HD12 551 0.121 2.697 0.041 34LEU HD13 552 0.030 2.849 0.057 34LEU CD2 553 -0.063 2.516 0.113 34LEU HD21 554 -0.012 2.512 0.209 34LEU HD22 555 -0.151 2.452 0.116 34LEU HD23 556 0.005 2.481 0.035 34LEU C 557 -0.430 2.783 0.248 34LEU O 558 -0.502 2.875 0.211 35PHE N 559 -0.424 2.748 0.377 35PHE HN 560 -0.366 2.668 0.397 35PHE CA 561 -0.511 2.799 0.482 35PHE HA 562 -0.556 2.892 0.449 35PHE CB 563 -0.616 2.694 0.518 35PHE HB1 564 -0.669 2.734 0.604 35PHE HB2 565 -0.561 2.605 0.548 35PHE CG 566 -0.715 2.681 0.405 35PHE CD1 567 -0.720 2.569 0.320 35PHE HD1 568 -0.643 2.496 0.338 35PHE CE1 569 -0.817 2.554 0.220 35PHE HE1 570 -0.825 2.468 0.155 35PHE CZ 571 -0.913 2.655 0.204 35PHE HZ 572 -0.991 2.649 0.130 35PHE CD2 573 -0.810 2.781 0.386 35PHE HD2 574 -0.803 2.876 0.437 35PHE CE2 575 -0.906 2.768 0.285 35PHE HE2 576 -0.981 2.847 0.278 35PHE C 577 -0.422 2.831 0.601 35PHE OT1 578 -0.445 2.940 0.658 35PHE OT2 579 -0.342 2.747 0.647 3.81450 3.81450 3.81450