USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 463 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 117:sc= -0.768 USER MOD Set 1.2: A 70 SER OG : rot 149:sc= 1.55 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 15 MET CE :methyl -132:sc= -2.43 (180deg=-6.75!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.525 USER MOD Single : A 20 LYS NZ :NH3+ -137:sc= -0.513 (180deg=-1.11) USER MOD Single : A 25 MET CE :methyl 149:sc= -1.88 (180deg=-3.16!) USER MOD Single : A 36 GLN : amide:sc= -1.49! C(o=-1.5!,f=-1.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -1.44 F(o=-2.1,f=-1.4) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -83:sc= -7.57! USER MOD Single : A 46 CYS SG : rot -35:sc= -0.326 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.611 K(o=-0.61,f=-4.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= -5.46! USER MOD Single : A 63 MET CE :methyl -166:sc= 0 (180deg=-0.293) USER MOD Single : A 72 GLN : amide:sc= 0.0745 K(o=0.074,f=-1.4!) USER MOD Single : A 73 SER OG : rot 81:sc= 0.919 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.282 -9.110 8.313 1.00 0.00 N ATOM 186 CA MET A 15 8.060 -7.908 8.561 1.00 0.00 C ATOM 187 C MET A 15 7.278 -6.656 8.155 1.00 0.00 C ATOM 188 O MET A 15 6.324 -6.738 7.383 1.00 0.00 O ATOM 189 CB MET A 15 9.367 -7.973 7.768 1.00 0.00 C ATOM 190 CG MET A 15 9.094 -8.204 6.280 1.00 0.00 C ATOM 191 SD MET A 15 10.189 -7.194 5.295 1.00 0.00 S ATOM 192 CE MET A 15 9.165 -5.748 5.079 1.00 0.00 C ATOM 0 HA MET A 15 8.275 -7.850 9.628 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.923 -7.045 7.900 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.992 -8.777 8.156 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.237 -9.256 6.035 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.057 -7.961 6.050 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.160 -5.459 4.028 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.147 -5.972 5.398 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.561 -4.929 5.679 1.00 0.00 H new ATOM 202 N THR A 16 7.713 -5.526 8.694 1.00 0.00 N ATOM 203 CA THR A 16 7.066 -4.259 8.398 1.00 0.00 C ATOM 204 C THR A 16 7.995 -3.366 7.574 1.00 0.00 C ATOM 205 O THR A 16 9.215 -3.502 7.643 1.00 0.00 O ATOM 206 CB THR A 16 6.634 -3.628 9.723 1.00 0.00 C ATOM 207 OG1 THR A 16 5.623 -4.504 10.212 1.00 0.00 O ATOM 208 CG2 THR A 16 5.910 -2.294 9.528 1.00 0.00 C ATOM 0 H THR A 16 8.505 -5.462 9.333 1.00 0.00 H new ATOM 0 HA THR A 16 6.176 -4.403 7.785 1.00 0.00 H new ATOM 0 HB THR A 16 7.509 -3.477 10.355 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.288 -4.170 11.070 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.625 -1.889 10.499 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.572 -1.591 9.022 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.016 -2.450 8.924 1.00 0.00 H new ATOM 216 N GLU A 17 7.381 -2.473 6.811 1.00 0.00 N ATOM 217 CA GLU A 17 8.138 -1.557 5.974 1.00 0.00 C ATOM 218 C GLU A 17 7.362 -0.254 5.777 1.00 0.00 C ATOM 219 O GLU A 17 6.150 -0.274 5.571 1.00 0.00 O ATOM 220 CB GLU A 17 8.481 -2.201 4.629 1.00 0.00 C ATOM 221 CG GLU A 17 9.227 -1.217 3.725 1.00 0.00 C ATOM 222 CD GLU A 17 8.960 -1.518 2.249 1.00 0.00 C ATOM 223 OE1 GLU A 17 7.862 -1.143 1.784 1.00 0.00 O ATOM 224 OE2 GLU A 17 9.859 -2.115 1.619 1.00 0.00 O ATOM 0 H GLU A 17 6.368 -2.364 6.755 1.00 0.00 H new ATOM 0 HA GLU A 17 9.076 -1.325 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.094 -3.087 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.567 -2.532 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.915 -0.198 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.297 -1.275 3.924 1.00 0.00 H new ATOM 231 N GLU A 18 8.093 0.849 5.846 1.00 0.00 N ATOM 232 CA GLU A 18 7.489 2.160 5.677 1.00 0.00 C ATOM 233 C GLU A 18 7.678 2.651 4.240 1.00 0.00 C ATOM 234 O GLU A 18 8.733 3.183 3.897 1.00 0.00 O ATOM 235 CB GLU A 18 8.064 3.162 6.679 1.00 0.00 C ATOM 236 CG GLU A 18 7.717 4.598 6.280 1.00 0.00 C ATOM 237 CD GLU A 18 8.102 5.583 7.386 1.00 0.00 C ATOM 238 OE1 GLU A 18 8.057 5.162 8.562 1.00 0.00 O ATOM 239 OE2 GLU A 18 8.432 6.735 7.030 1.00 0.00 O ATOM 0 H GLU A 18 9.099 0.862 6.017 1.00 0.00 H new ATOM 0 HA GLU A 18 6.420 2.074 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.671 2.952 7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.147 3.047 6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.237 4.859 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.649 4.674 6.076 1.00 0.00 H new ATOM 246 N TYR A 19 6.641 2.454 3.440 1.00 0.00 N ATOM 247 CA TYR A 19 6.680 2.871 2.048 1.00 0.00 C ATOM 248 C TYR A 19 5.952 4.202 1.854 1.00 0.00 C ATOM 249 O TYR A 19 4.771 4.321 2.178 1.00 0.00 O ATOM 250 CB TYR A 19 5.947 1.782 1.262 1.00 0.00 C ATOM 251 CG TYR A 19 6.010 1.962 -0.256 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.199 1.759 -0.927 1.00 0.00 C ATOM 253 CD2 TYR A 19 4.877 2.329 -0.955 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.258 1.928 -2.356 1.00 0.00 C ATOM 255 CE2 TYR A 19 4.936 2.498 -2.384 1.00 0.00 C ATOM 256 CZ TYR A 19 6.123 2.290 -3.014 1.00 0.00 C ATOM 257 OH TYR A 19 6.179 2.450 -4.363 1.00 0.00 O ATOM 0 H TYR A 19 5.769 2.011 3.729 1.00 0.00 H new ATOM 0 HA TYR A 19 7.709 3.006 1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.373 0.812 1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.902 1.765 1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.085 1.473 -0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.947 2.489 -0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.182 1.771 -2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.057 2.784 -2.943 1.00 0.00 H new ATOM 0 HH TYR A 19 5.295 2.708 -4.699 1.00 0.00 H new ATOM 267 N LYS A 20 6.686 5.170 1.325 1.00 0.00 N ATOM 268 CA LYS A 20 6.125 6.488 1.083 1.00 0.00 C ATOM 269 C LYS A 20 5.516 6.529 -0.319 1.00 0.00 C ATOM 270 O LYS A 20 5.918 5.767 -1.197 1.00 0.00 O ATOM 271 CB LYS A 20 7.177 7.572 1.329 1.00 0.00 C ATOM 272 CG LYS A 20 7.435 7.757 2.825 1.00 0.00 C ATOM 273 CD LYS A 20 6.130 8.030 3.577 1.00 0.00 C ATOM 274 CE LYS A 20 6.316 9.139 4.613 1.00 0.00 C ATOM 275 NZ LYS A 20 6.706 10.405 3.953 1.00 0.00 N ATOM 0 H LYS A 20 7.665 5.068 1.057 1.00 0.00 H new ATOM 0 HA LYS A 20 5.319 6.694 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.106 7.302 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.842 8.514 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.911 6.864 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.127 8.585 2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.351 8.315 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.793 7.119 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.390 9.283 5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.080 8.847 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.465 10.862 4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.044 10.205 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.883 11.040 3.906 1.00 0.00 H new ATOM 289 N VAL A 21 4.555 7.426 -0.487 1.00 0.00 N ATOM 290 CA VAL A 21 3.887 7.576 -1.768 1.00 0.00 C ATOM 291 C VAL A 21 3.355 9.005 -1.897 1.00 0.00 C ATOM 292 O VAL A 21 3.235 9.718 -0.902 1.00 0.00 O ATOM 293 CB VAL A 21 2.793 6.516 -1.915 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.354 5.232 -2.529 1.00 0.00 C ATOM 295 CG2 VAL A 21 2.120 6.233 -0.571 1.00 0.00 C ATOM 0 H VAL A 21 4.223 8.056 0.243 1.00 0.00 H new ATOM 0 HA VAL A 21 4.589 7.415 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 21 2.035 6.908 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.557 4.495 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.765 5.449 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.141 4.836 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.347 5.476 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.864 5.871 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.669 7.149 -0.190 1.00 0.00 H new ATOM 305 N PRO A 22 3.044 9.391 -3.164 1.00 0.00 N ATOM 306 CA PRO A 22 2.528 10.722 -3.435 1.00 0.00 C ATOM 307 C PRO A 22 1.066 10.842 -3.002 1.00 0.00 C ATOM 308 O PRO A 22 0.200 10.141 -3.524 1.00 0.00 O ATOM 309 CB PRO A 22 2.724 10.922 -4.929 1.00 0.00 C ATOM 310 CG PRO A 22 2.910 9.532 -5.515 1.00 0.00 C ATOM 311 CD PRO A 22 3.174 8.573 -4.366 1.00 0.00 C ATOM 0 HA PRO A 22 3.046 11.498 -2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.862 11.421 -5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.593 11.549 -5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.021 9.229 -6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.742 9.523 -6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.459 7.750 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.168 8.131 -4.439 1.00 0.00 H new ATOM 319 N ASP A 23 0.835 11.736 -2.052 1.00 0.00 N ATOM 320 CA ASP A 23 -0.508 11.958 -1.543 1.00 0.00 C ATOM 321 C ASP A 23 -1.428 12.357 -2.699 1.00 0.00 C ATOM 322 O ASP A 23 -2.649 12.259 -2.587 1.00 0.00 O ATOM 323 CB ASP A 23 -0.527 13.088 -0.512 1.00 0.00 C ATOM 324 CG ASP A 23 -1.897 13.726 -0.277 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.305 14.529 -1.143 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.506 13.396 0.764 1.00 0.00 O ATOM 0 H ASP A 23 1.555 12.315 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.847 11.035 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.156 12.700 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.168 13.864 -0.833 1.00 0.00 H new ATOM 331 N GLY A 24 -0.806 12.798 -3.782 1.00 0.00 N ATOM 332 CA GLY A 24 -1.553 13.212 -4.957 1.00 0.00 C ATOM 333 C GLY A 24 -2.041 12.000 -5.753 1.00 0.00 C ATOM 334 O GLY A 24 -2.793 12.145 -6.715 1.00 0.00 O ATOM 0 H GLY A 24 0.207 12.878 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.406 13.820 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.924 13.838 -5.590 1.00 0.00 H new ATOM 338 N MET A 25 -1.591 10.830 -5.322 1.00 0.00 N ATOM 339 CA MET A 25 -1.972 9.593 -5.982 1.00 0.00 C ATOM 340 C MET A 25 -2.618 8.620 -4.994 1.00 0.00 C ATOM 341 O MET A 25 -3.610 7.968 -5.317 1.00 0.00 O ATOM 342 CB MET A 25 -0.733 8.943 -6.602 1.00 0.00 C ATOM 343 CG MET A 25 -0.123 9.842 -7.679 1.00 0.00 C ATOM 344 SD MET A 25 -1.253 10.005 -9.051 1.00 0.00 S ATOM 345 CE MET A 25 -1.014 8.420 -9.839 1.00 0.00 C ATOM 0 H MET A 25 -0.966 10.713 -4.524 1.00 0.00 H new ATOM 0 HA MET A 25 -2.699 9.827 -6.760 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.006 8.747 -5.825 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.002 7.980 -7.036 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.099 10.824 -7.262 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.822 9.421 -8.023 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.940 8.111 -10.323 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.224 8.500 -10.585 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.732 7.680 -9.090 1.00 0.00 H new ATOM 355 N VAL A 26 -2.030 8.554 -3.808 1.00 0.00 N ATOM 356 CA VAL A 26 -2.537 7.672 -2.770 1.00 0.00 C ATOM 357 C VAL A 26 -4.064 7.751 -2.740 1.00 0.00 C ATOM 358 O VAL A 26 -4.743 6.725 -2.757 1.00 0.00 O ATOM 359 CB VAL A 26 -1.893 8.021 -1.427 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.616 9.194 -0.762 1.00 0.00 C ATOM 361 CG2 VAL A 26 -1.858 6.803 -0.502 1.00 0.00 C ATOM 0 H VAL A 26 -1.208 9.097 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.270 6.637 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.864 8.326 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.139 9.422 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.566 10.068 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.659 8.929 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.395 7.079 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.875 6.454 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.279 6.007 -0.970 1.00 0.00 H new ATOM 371 N GLY A 27 -4.561 8.979 -2.696 1.00 0.00 N ATOM 372 CA GLY A 27 -5.996 9.205 -2.664 1.00 0.00 C ATOM 373 C GLY A 27 -6.703 8.398 -3.754 1.00 0.00 C ATOM 374 O GLY A 27 -7.824 7.932 -3.558 1.00 0.00 O ATOM 0 H GLY A 27 -3.995 9.828 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.390 8.926 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.204 10.266 -2.800 1.00 0.00 H new ATOM 378 N PHE A 28 -6.018 8.258 -4.880 1.00 0.00 N ATOM 379 CA PHE A 28 -6.567 7.515 -6.002 1.00 0.00 C ATOM 380 C PHE A 28 -6.249 6.023 -5.880 1.00 0.00 C ATOM 381 O PHE A 28 -6.967 5.185 -6.424 1.00 0.00 O ATOM 382 CB PHE A 28 -5.906 8.063 -7.268 1.00 0.00 C ATOM 383 CG PHE A 28 -5.800 7.045 -8.405 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.875 6.283 -8.738 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.629 6.903 -9.083 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.776 5.338 -9.794 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.530 5.958 -10.138 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.606 5.196 -10.471 1.00 0.00 C ATOM 0 H PHE A 28 -5.088 8.646 -5.039 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.651 7.627 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.474 8.925 -7.618 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.906 8.419 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.804 6.396 -8.200 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.775 7.509 -8.819 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.630 4.733 -10.059 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.600 5.844 -10.676 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.531 4.478 -11.274 1.00 0.00 H new ATOM 398 N ILE A 29 -5.173 5.737 -5.162 1.00 0.00 N ATOM 399 CA ILE A 29 -4.751 4.361 -4.962 1.00 0.00 C ATOM 400 C ILE A 29 -5.802 3.627 -4.126 1.00 0.00 C ATOM 401 O ILE A 29 -5.930 2.407 -4.217 1.00 0.00 O ATOM 402 CB ILE A 29 -3.345 4.314 -4.361 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.355 5.103 -5.220 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.890 2.869 -4.143 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.918 4.646 -4.961 1.00 0.00 C ATOM 0 H ILE A 29 -4.581 6.435 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.682 3.841 -5.917 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.376 4.793 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.598 4.971 -6.274 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.447 6.167 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.888 2.864 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.578 2.370 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.880 2.343 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.235 5.223 -5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.670 4.802 -3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.824 3.587 -5.203 1.00 0.00 H new ATOM 417 N ILE A 30 -6.526 4.401 -3.332 1.00 0.00 N ATOM 418 CA ILE A 30 -7.562 3.839 -2.481 1.00 0.00 C ATOM 419 C ILE A 30 -8.631 3.180 -3.354 1.00 0.00 C ATOM 420 O ILE A 30 -8.874 1.979 -3.245 1.00 0.00 O ATOM 421 CB ILE A 30 -8.113 4.905 -1.533 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.989 5.552 -0.721 1.00 0.00 C ATOM 423 CG2 ILE A 30 -9.209 4.327 -0.635 1.00 0.00 C ATOM 424 CD1 ILE A 30 -7.472 6.833 -0.039 1.00 0.00 C ATOM 0 H ILE A 30 -6.416 5.412 -3.259 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.148 3.060 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.570 5.692 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.628 4.850 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.147 5.779 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.584 5.106 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.026 3.953 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.800 3.510 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.654 7.272 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.810 7.542 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.298 6.598 0.633 1.00 0.00 H new ATOM 436 N GLY A 31 -9.243 3.994 -4.202 1.00 0.00 N ATOM 437 CA GLY A 31 -10.281 3.506 -5.093 1.00 0.00 C ATOM 438 C GLY A 31 -11.658 4.012 -4.660 1.00 0.00 C ATOM 439 O GLY A 31 -11.820 4.504 -3.545 1.00 0.00 O ATOM 0 H GLY A 31 -9.039 4.989 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.074 3.833 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.276 2.416 -5.100 1.00 0.00 H new ATOM 481 N GLU A 35 -11.260 -0.124 -2.833 1.00 0.00 N ATOM 482 CA GLU A 35 -11.085 -1.435 -3.434 1.00 0.00 C ATOM 483 C GLU A 35 -9.809 -1.465 -4.279 1.00 0.00 C ATOM 484 O GLU A 35 -9.134 -2.490 -4.355 1.00 0.00 O ATOM 485 CB GLU A 35 -12.305 -1.823 -4.270 1.00 0.00 C ATOM 486 CG GLU A 35 -12.063 -3.135 -5.019 1.00 0.00 C ATOM 487 CD GLU A 35 -13.328 -3.995 -5.042 1.00 0.00 C ATOM 488 OE1 GLU A 35 -13.787 -4.359 -3.938 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.808 -4.269 -6.163 1.00 0.00 O ATOM 0 HA GLU A 35 -10.986 -2.169 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.176 -1.925 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.529 -1.029 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.745 -2.922 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.253 -3.686 -4.542 1.00 0.00 H new ATOM 496 N GLN A 36 -9.517 -0.327 -4.893 1.00 0.00 N ATOM 497 CA GLN A 36 -8.335 -0.210 -5.729 1.00 0.00 C ATOM 498 C GLN A 36 -7.109 -0.756 -4.994 1.00 0.00 C ATOM 499 O GLN A 36 -6.325 -1.513 -5.565 1.00 0.00 O ATOM 500 CB GLN A 36 -8.113 1.240 -6.165 1.00 0.00 C ATOM 501 CG GLN A 36 -6.848 1.369 -7.015 1.00 0.00 C ATOM 502 CD GLN A 36 -7.160 1.155 -8.498 1.00 0.00 C ATOM 503 OE1 GLN A 36 -8.284 0.888 -8.890 1.00 0.00 O ATOM 504 NE2 GLN A 36 -6.105 1.286 -9.297 1.00 0.00 N ATOM 0 H GLN A 36 -10.079 0.522 -4.828 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.490 -0.805 -6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.975 1.588 -6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.032 1.879 -5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.408 2.356 -6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.108 0.639 -6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.191 1.511 -8.903 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.209 1.162 -10.304 1.00 0.00 H new ATOM 513 N ILE A 37 -6.982 -0.350 -3.739 1.00 0.00 N ATOM 514 CA ILE A 37 -5.864 -0.788 -2.921 1.00 0.00 C ATOM 515 C ILE A 37 -6.021 -2.278 -2.608 1.00 0.00 C ATOM 516 O ILE A 37 -5.076 -3.050 -2.761 1.00 0.00 O ATOM 517 CB ILE A 37 -5.735 0.091 -1.676 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.415 -0.177 -0.949 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.942 -0.083 -0.753 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.226 0.339 -1.763 1.00 0.00 C ATOM 0 H ILE A 37 -7.635 0.277 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.926 -0.672 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.722 1.133 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.429 0.307 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.303 -1.247 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.824 0.553 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.851 0.198 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.013 -1.124 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.301 0.136 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.201 -0.164 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.329 1.413 -1.916 1.00 0.00 H new ATOM 532 N SER A 38 -7.221 -2.636 -2.175 1.00 0.00 N ATOM 533 CA SER A 38 -7.513 -4.019 -1.839 1.00 0.00 C ATOM 534 C SER A 38 -6.931 -4.951 -2.905 1.00 0.00 C ATOM 535 O SER A 38 -6.236 -5.912 -2.581 1.00 0.00 O ATOM 536 CB SER A 38 -9.020 -4.246 -1.702 1.00 0.00 C ATOM 537 OG SER A 38 -9.316 -5.411 -0.937 1.00 0.00 O ATOM 0 H SER A 38 -8.002 -1.992 -2.049 1.00 0.00 H new ATOM 0 HA SER A 38 -7.050 -4.242 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.476 -3.376 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.464 -4.340 -2.693 1.00 0.00 H new ATOM 0 HG SER A 38 -10.288 -5.521 -0.871 1.00 0.00 H new ATOM 543 N ARG A 39 -7.237 -4.633 -4.154 1.00 0.00 N ATOM 544 CA ARG A 39 -6.753 -5.429 -5.269 1.00 0.00 C ATOM 545 C ARG A 39 -5.231 -5.570 -5.199 1.00 0.00 C ATOM 546 O ARG A 39 -4.684 -6.613 -5.554 1.00 0.00 O ATOM 547 CB ARG A 39 -7.140 -4.795 -6.607 1.00 0.00 C ATOM 548 CG ARG A 39 -7.969 -5.764 -7.453 1.00 0.00 C ATOM 549 CD ARG A 39 -9.170 -5.053 -8.081 1.00 0.00 C ATOM 550 NE ARG A 39 -10.421 -5.504 -7.431 1.00 0.00 N ATOM 551 CZ ARG A 39 -10.842 -6.776 -7.413 1.00 0.00 C ATOM 552 NH1 ARG A 39 -10.114 -7.731 -8.009 1.00 0.00 N ATOM 553 NH2 ARG A 39 -11.990 -7.093 -6.800 1.00 0.00 N ATOM 0 H ARG A 39 -7.814 -3.835 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.216 -6.414 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.709 -3.882 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.240 -4.509 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.345 -6.193 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.315 -6.590 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.062 -3.974 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.209 -5.263 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.999 -4.803 -6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.240 -7.489 -8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.434 -8.699 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.544 -6.366 -6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.310 -8.061 -6.786 1.00 0.00 H new ATOM 567 N ILE A 40 -4.591 -4.505 -4.740 1.00 0.00 N ATOM 568 CA ILE A 40 -3.143 -4.497 -4.619 1.00 0.00 C ATOM 569 C ILE A 40 -2.728 -5.384 -3.444 1.00 0.00 C ATOM 570 O ILE A 40 -1.705 -6.064 -3.506 1.00 0.00 O ATOM 571 CB ILE A 40 -2.622 -3.062 -4.520 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.202 -2.189 -5.635 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.092 -3.033 -4.507 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.877 -0.712 -5.400 1.00 0.00 C ATOM 0 H ILE A 40 -5.048 -3.642 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.684 -4.918 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.960 -2.641 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.798 -2.505 -6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.283 -2.324 -5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.748 -2.001 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.725 -3.598 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.712 -3.480 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.301 -0.113 -6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.303 -0.393 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.796 -0.577 -5.377 1.00 0.00 H new ATOM 586 N GLN A 41 -3.544 -5.350 -2.401 1.00 0.00 N ATOM 587 CA GLN A 41 -3.275 -6.143 -1.214 1.00 0.00 C ATOM 588 C GLN A 41 -3.495 -7.629 -1.507 1.00 0.00 C ATOM 589 O GLN A 41 -2.760 -8.479 -1.006 1.00 0.00 O ATOM 590 CB GLN A 41 -4.139 -5.682 -0.039 1.00 0.00 C ATOM 591 CG GLN A 41 -3.672 -4.323 0.486 1.00 0.00 C ATOM 592 CD GLN A 41 -4.398 -3.956 1.782 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.761 -2.679 1.856 1.00 0.00 O flip ATOM 594 NE2 GLN A 41 -4.615 -4.779 2.656 1.00 0.00 N flip ATOM 0 H GLN A 41 -4.392 -4.785 -2.353 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.232 -5.999 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.181 -5.616 -0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.094 -6.420 0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.597 -4.347 0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.855 -3.556 -0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.309 -5.744 2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.103 -4.502 3.508 1.00 0.00 H new ATOM 603 N GLN A 42 -4.509 -7.896 -2.316 1.00 0.00 N ATOM 604 CA GLN A 42 -4.835 -9.264 -2.682 1.00 0.00 C ATOM 605 C GLN A 42 -3.913 -9.748 -3.803 1.00 0.00 C ATOM 606 O GLN A 42 -3.622 -10.939 -3.902 1.00 0.00 O ATOM 607 CB GLN A 42 -6.304 -9.388 -3.089 1.00 0.00 C ATOM 608 CG GLN A 42 -7.224 -9.230 -1.876 1.00 0.00 C ATOM 609 CD GLN A 42 -7.599 -10.593 -1.291 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.572 -11.218 -1.679 1.00 0.00 O ATOM 611 NE2 GLN A 42 -6.773 -11.018 -0.338 1.00 0.00 N ATOM 0 H GLN A 42 -5.116 -7.188 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.679 -9.899 -1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.544 -8.629 -3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.475 -10.358 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.728 -8.628 -1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.127 -8.694 -2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.976 -10.445 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.937 -11.917 0.115 1.00 0.00 H new ATOM 620 N GLU A 43 -3.479 -8.799 -4.619 1.00 0.00 N ATOM 621 CA GLU A 43 -2.596 -9.113 -5.730 1.00 0.00 C ATOM 622 C GLU A 43 -1.210 -9.505 -5.212 1.00 0.00 C ATOM 623 O GLU A 43 -0.654 -10.521 -5.624 1.00 0.00 O ATOM 624 CB GLU A 43 -2.504 -7.940 -6.707 1.00 0.00 C ATOM 625 CG GLU A 43 -3.581 -8.042 -7.789 1.00 0.00 C ATOM 626 CD GLU A 43 -3.202 -9.085 -8.843 1.00 0.00 C ATOM 627 OE1 GLU A 43 -2.043 -9.026 -9.307 1.00 0.00 O ATOM 628 OE2 GLU A 43 -4.079 -9.916 -9.161 1.00 0.00 O ATOM 0 H GLU A 43 -3.722 -7.812 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.014 -9.962 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.616 -7.001 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.518 -7.925 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.535 -8.309 -7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.716 -7.071 -8.265 1.00 0.00 H new ATOM 635 N SER A 44 -0.694 -8.677 -4.315 1.00 0.00 N ATOM 636 CA SER A 44 0.616 -8.924 -3.736 1.00 0.00 C ATOM 637 C SER A 44 0.473 -9.722 -2.438 1.00 0.00 C ATOM 638 O SER A 44 1.469 -10.135 -1.847 1.00 0.00 O ATOM 639 CB SER A 44 1.359 -7.613 -3.474 1.00 0.00 C ATOM 640 OG SER A 44 1.377 -7.277 -2.089 1.00 0.00 O ATOM 0 H SER A 44 -1.159 -7.835 -3.975 1.00 0.00 H new ATOM 0 HA SER A 44 1.201 -9.505 -4.449 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.382 -7.697 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.884 -6.809 -4.036 1.00 0.00 H new ATOM 0 HG SER A 44 0.540 -6.827 -1.851 1.00 0.00 H new ATOM 646 N GLY A 45 -0.774 -9.913 -2.033 1.00 0.00 N ATOM 647 CA GLY A 45 -1.060 -10.653 -0.816 1.00 0.00 C ATOM 648 C GLY A 45 -0.322 -10.049 0.380 1.00 0.00 C ATOM 649 O GLY A 45 0.106 -10.771 1.279 1.00 0.00 O ATOM 0 H GLY A 45 -1.598 -9.568 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.133 -10.647 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.765 -11.695 -0.942 1.00 0.00 H new ATOM 653 N CYS A 46 -0.196 -8.730 0.351 1.00 0.00 N ATOM 654 CA CYS A 46 0.483 -8.020 1.422 1.00 0.00 C ATOM 655 C CYS A 46 -0.496 -7.011 2.025 1.00 0.00 C ATOM 656 O CYS A 46 -1.422 -6.561 1.353 1.00 0.00 O ATOM 657 CB CYS A 46 1.766 -7.347 0.930 1.00 0.00 C ATOM 658 SG CYS A 46 3.124 -7.643 2.121 1.00 0.00 S ATOM 0 H CYS A 46 -0.552 -8.135 -0.397 1.00 0.00 H new ATOM 0 HA CYS A 46 0.794 -8.727 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.039 -7.738 -0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.602 -6.276 0.811 1.00 0.00 H new ATOM 0 HG CYS A 46 2.647 -7.647 3.330 1.00 0.00 H new ATOM 664 N LYS A 47 -0.257 -6.685 3.287 1.00 0.00 N ATOM 665 CA LYS A 47 -1.106 -5.737 3.989 1.00 0.00 C ATOM 666 C LYS A 47 -0.662 -4.313 3.650 1.00 0.00 C ATOM 667 O LYS A 47 0.529 -4.053 3.485 1.00 0.00 O ATOM 668 CB LYS A 47 -1.118 -6.037 5.489 1.00 0.00 C ATOM 669 CG LYS A 47 -2.444 -5.612 6.122 1.00 0.00 C ATOM 670 CD LYS A 47 -2.985 -6.704 7.047 1.00 0.00 C ATOM 671 CE LYS A 47 -4.065 -6.149 7.979 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.416 -7.145 9.016 1.00 0.00 N ATOM 0 H LYS A 47 0.512 -7.060 3.842 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.140 -5.836 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.958 -7.103 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.295 -5.514 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.303 -4.690 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.173 -5.399 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.397 -7.519 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.170 -7.122 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.710 -5.233 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.952 -5.888 7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.150 -6.753 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.774 -8.009 8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.571 -7.374 9.577 1.00 0.00 H new ATOM 686 N ILE A 48 -1.643 -3.428 3.555 1.00 0.00 N ATOM 687 CA ILE A 48 -1.368 -2.036 3.238 1.00 0.00 C ATOM 688 C ILE A 48 -2.220 -1.136 4.135 1.00 0.00 C ATOM 689 O ILE A 48 -3.415 -0.971 3.899 1.00 0.00 O ATOM 690 CB ILE A 48 -1.565 -1.778 1.743 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.576 -2.598 0.910 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.477 -0.283 1.429 1.00 0.00 C ATOM 693 CD1 ILE A 48 -1.105 -2.817 -0.508 1.00 0.00 C ATOM 0 H ILE A 48 -2.630 -3.647 3.692 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.325 -1.797 3.444 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.567 -2.107 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.384 -2.084 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.401 -3.561 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.620 -0.127 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.251 0.251 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.497 0.093 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.384 -3.402 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.053 -3.353 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.255 -1.853 -0.993 1.00 0.00 H new ATOM 705 N GLN A 49 -1.570 -0.577 5.146 1.00 0.00 N ATOM 706 CA GLN A 49 -2.253 0.303 6.079 1.00 0.00 C ATOM 707 C GLN A 49 -1.907 1.763 5.782 1.00 0.00 C ATOM 708 O GLN A 49 -0.844 2.244 6.172 1.00 0.00 O ATOM 709 CB GLN A 49 -1.909 -0.059 7.525 1.00 0.00 C ATOM 710 CG GLN A 49 -2.260 -1.518 7.824 1.00 0.00 C ATOM 711 CD GLN A 49 -1.127 -2.211 8.583 1.00 0.00 C ATOM 712 OE1 GLN A 49 -0.059 -1.660 8.794 1.00 0.00 O ATOM 713 NE2 GLN A 49 -1.418 -3.446 8.980 1.00 0.00 N ATOM 0 H GLN A 49 -0.578 -0.717 5.339 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.328 0.172 5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.846 0.107 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.452 0.596 8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.177 -1.562 8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.454 -2.047 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.332 -3.847 8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.727 -3.992 9.495 1.00 0.00 H new ATOM 722 N ILE A 50 -2.824 2.428 5.095 1.00 0.00 N ATOM 723 CA ILE A 50 -2.630 3.823 4.742 1.00 0.00 C ATOM 724 C ILE A 50 -3.396 4.707 5.728 1.00 0.00 C ATOM 725 O ILE A 50 -4.548 4.424 6.054 1.00 0.00 O ATOM 726 CB ILE A 50 -3.008 4.064 3.279 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.622 2.865 2.409 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.398 5.368 2.762 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.985 3.113 0.943 1.00 0.00 C ATOM 0 H ILE A 50 -3.704 2.026 4.773 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.577 4.092 4.824 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.091 4.170 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.552 2.677 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.132 1.971 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.682 5.515 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.764 6.203 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.312 5.317 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.701 2.246 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.059 3.276 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.454 3.993 0.581 1.00 0.00 H new ATOM 741 N ALA A 51 -2.726 5.758 6.176 1.00 0.00 N ATOM 742 CA ALA A 51 -3.330 6.685 7.119 1.00 0.00 C ATOM 743 C ALA A 51 -4.497 7.406 6.442 1.00 0.00 C ATOM 744 O ALA A 51 -4.525 7.538 5.219 1.00 0.00 O ATOM 745 CB ALA A 51 -2.265 7.655 7.635 1.00 0.00 C ATOM 0 H ALA A 51 -1.770 5.989 5.904 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.729 6.150 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.718 8.350 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.474 7.095 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.844 8.212 6.798 1.00 0.00 H new ATOM 821 N PRO A 58 4.256 15.635 2.210 1.00 0.00 N ATOM 822 CA PRO A 58 4.199 15.570 0.760 1.00 0.00 C ATOM 823 C PRO A 58 3.942 14.139 0.285 1.00 0.00 C ATOM 824 O PRO A 58 3.335 13.929 -0.764 1.00 0.00 O ATOM 825 CB PRO A 58 5.534 16.122 0.289 1.00 0.00 C ATOM 826 CG PRO A 58 6.465 16.041 1.487 1.00 0.00 C ATOM 827 CD PRO A 58 5.615 15.787 2.722 1.00 0.00 C ATOM 0 HA PRO A 58 3.375 16.150 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.923 15.542 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.431 17.151 -0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.192 15.240 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.029 16.968 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.942 14.892 3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.683 16.616 3.427 1.00 0.00 H new ATOM 835 N GLU A 59 4.416 13.191 1.080 1.00 0.00 N ATOM 836 CA GLU A 59 4.246 11.785 0.753 1.00 0.00 C ATOM 837 C GLU A 59 3.470 11.073 1.863 1.00 0.00 C ATOM 838 O GLU A 59 3.716 11.307 3.046 1.00 0.00 O ATOM 839 CB GLU A 59 5.597 11.111 0.510 1.00 0.00 C ATOM 840 CG GLU A 59 6.295 11.708 -0.714 1.00 0.00 C ATOM 841 CD GLU A 59 7.255 12.827 -0.307 1.00 0.00 C ATOM 842 OE1 GLU A 59 7.816 12.717 0.804 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.405 13.768 -1.116 1.00 0.00 O ATOM 0 H GLU A 59 4.918 13.369 1.950 1.00 0.00 H new ATOM 0 HA GLU A 59 3.671 11.714 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.231 11.231 1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.453 10.040 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.844 10.927 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.550 12.098 -1.408 1.00 0.00 H new ATOM 850 N ARG A 60 2.549 10.219 1.443 1.00 0.00 N ATOM 851 CA ARG A 60 1.735 9.471 2.387 1.00 0.00 C ATOM 852 C ARG A 60 2.457 8.191 2.812 1.00 0.00 C ATOM 853 O ARG A 60 3.011 7.479 1.976 1.00 0.00 O ATOM 854 CB ARG A 60 0.380 9.106 1.778 1.00 0.00 C ATOM 855 CG ARG A 60 -0.388 8.144 2.686 1.00 0.00 C ATOM 856 CD ARG A 60 -1.346 8.904 3.606 1.00 0.00 C ATOM 857 NE ARG A 60 -0.585 9.823 4.482 1.00 0.00 N ATOM 858 CZ ARG A 60 -0.003 9.454 5.631 1.00 0.00 C ATOM 859 NH1 ARG A 60 -0.093 8.185 6.051 1.00 0.00 N ATOM 860 NH2 ARG A 60 0.667 10.356 6.362 1.00 0.00 N ATOM 0 H ARG A 60 2.348 10.028 0.461 1.00 0.00 H new ATOM 0 HA ARG A 60 1.570 10.105 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.208 10.011 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.528 8.648 0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.949 7.434 2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.315 7.565 3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.064 9.468 3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.917 8.200 4.212 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.498 10.797 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.605 7.499 5.496 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.350 7.905 6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.734 11.323 6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.110 10.076 7.237 1.00 0.00 H new ATOM 874 N SER A 61 2.427 7.937 4.112 1.00 0.00 N ATOM 875 CA SER A 61 3.072 6.755 4.658 1.00 0.00 C ATOM 876 C SER A 61 2.090 5.581 4.671 1.00 0.00 C ATOM 877 O SER A 61 0.980 5.702 5.186 1.00 0.00 O ATOM 878 CB SER A 61 3.601 7.018 6.070 1.00 0.00 C ATOM 879 OG SER A 61 4.325 5.904 6.585 1.00 0.00 O ATOM 0 H SER A 61 1.966 8.529 4.803 1.00 0.00 H new ATOM 0 HA SER A 61 3.921 6.505 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.247 7.896 6.057 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.767 7.246 6.733 1.00 0.00 H new ATOM 0 HG SER A 61 4.647 6.112 7.487 1.00 0.00 H new ATOM 885 N CYS A 62 2.535 4.473 4.096 1.00 0.00 N ATOM 886 CA CYS A 62 1.709 3.279 4.035 1.00 0.00 C ATOM 887 C CYS A 62 2.480 2.128 4.684 1.00 0.00 C ATOM 888 O CYS A 62 3.434 1.611 4.105 1.00 0.00 O ATOM 889 CB CYS A 62 1.295 2.951 2.599 1.00 0.00 C ATOM 890 SG CYS A 62 0.444 4.387 1.849 1.00 0.00 S ATOM 0 H CYS A 62 3.456 4.377 3.669 1.00 0.00 H new ATOM 0 HA CYS A 62 0.781 3.447 4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.174 2.690 2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.636 2.083 2.591 1.00 0.00 H new ATOM 0 HG CYS A 62 0.099 4.098 0.629 1.00 0.00 H new ATOM 896 N MET A 63 2.036 1.760 5.877 1.00 0.00 N ATOM 897 CA MET A 63 2.672 0.679 6.611 1.00 0.00 C ATOM 898 C MET A 63 2.299 -0.681 6.017 1.00 0.00 C ATOM 899 O MET A 63 1.138 -1.085 6.062 1.00 0.00 O ATOM 900 CB MET A 63 2.239 0.733 8.077 1.00 0.00 C ATOM 901 CG MET A 63 2.723 2.021 8.745 1.00 0.00 C ATOM 902 SD MET A 63 3.276 1.676 10.407 1.00 0.00 S ATOM 903 CE MET A 63 4.921 1.073 10.068 1.00 0.00 C ATOM 0 H MET A 63 1.244 2.191 6.353 1.00 0.00 H new ATOM 0 HA MET A 63 3.753 0.802 6.538 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.153 0.672 8.141 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.639 -0.130 8.610 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.536 2.458 8.165 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.917 2.755 8.766 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.319 0.582 10.956 1.00 0.00 H new ATOM 0 HE2 MET A 63 4.884 0.359 9.245 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.566 1.908 9.795 1.00 0.00 H new ATOM 913 N LEU A 64 3.306 -1.350 5.474 1.00 0.00 N ATOM 914 CA LEU A 64 3.098 -2.656 4.873 1.00 0.00 C ATOM 915 C LEU A 64 3.496 -3.743 5.873 1.00 0.00 C ATOM 916 O LEU A 64 4.425 -3.559 6.658 1.00 0.00 O ATOM 917 CB LEU A 64 3.833 -2.753 3.534 1.00 0.00 C ATOM 918 CG LEU A 64 3.512 -1.661 2.512 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.772 -0.885 2.124 1.00 0.00 C ATOM 920 CD2 LEU A 64 2.800 -2.246 1.290 1.00 0.00 C ATOM 0 H LEU A 64 4.268 -1.012 5.438 1.00 0.00 H new ATOM 0 HA LEU A 64 2.043 -2.805 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.905 -2.737 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.605 -3.720 3.086 1.00 0.00 H new ATOM 0 HG LEU A 64 2.827 -0.951 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.515 -0.115 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.199 -0.418 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.500 -1.568 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.583 -1.449 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.441 -2.990 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.868 -2.717 1.603 1.00 0.00 H new ATOM 932 N THR A 65 2.774 -4.852 5.812 1.00 0.00 N ATOM 933 CA THR A 65 3.040 -5.968 6.703 1.00 0.00 C ATOM 934 C THR A 65 2.801 -7.296 5.981 1.00 0.00 C ATOM 935 O THR A 65 1.723 -7.523 5.433 1.00 0.00 O ATOM 936 CB THR A 65 2.177 -5.792 7.953 1.00 0.00 C ATOM 937 OG1 THR A 65 2.487 -4.478 8.407 1.00 0.00 O ATOM 938 CG2 THR A 65 2.620 -6.698 9.104 1.00 0.00 C ATOM 0 H THR A 65 2.005 -5.002 5.159 1.00 0.00 H new ATOM 0 HA THR A 65 4.085 -5.986 7.013 1.00 0.00 H new ATOM 0 HB THR A 65 1.136 -6.001 7.707 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.969 -4.280 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.974 -6.533 9.966 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.551 -7.741 8.794 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.651 -6.467 9.373 1.00 0.00 H new ATOM 946 N GLY A 66 3.823 -8.138 6.004 1.00 0.00 N ATOM 947 CA GLY A 66 3.737 -9.437 5.359 1.00 0.00 C ATOM 948 C GLY A 66 5.109 -9.893 4.858 1.00 0.00 C ATOM 949 O GLY A 66 6.136 -9.374 5.293 1.00 0.00 O ATOM 0 H GLY A 66 4.715 -7.946 6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.340 -10.170 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.039 -9.386 4.523 1.00 0.00 H new ATOM 953 N THR A 67 5.082 -10.858 3.951 1.00 0.00 N ATOM 954 CA THR A 67 6.311 -11.389 3.387 1.00 0.00 C ATOM 955 C THR A 67 7.123 -10.271 2.729 1.00 0.00 C ATOM 956 O THR A 67 6.589 -9.203 2.433 1.00 0.00 O ATOM 957 CB THR A 67 5.940 -12.518 2.423 1.00 0.00 C ATOM 958 OG1 THR A 67 4.885 -11.970 1.636 1.00 0.00 O ATOM 959 CG2 THR A 67 5.293 -13.708 3.136 1.00 0.00 C ATOM 0 H THR A 67 4.228 -11.286 3.593 1.00 0.00 H new ATOM 0 HA THR A 67 6.955 -11.803 4.163 1.00 0.00 H new ATOM 0 HB THR A 67 6.833 -12.853 1.895 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.169 -11.916 0.700 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.049 -14.481 2.407 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.987 -14.111 3.874 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.381 -13.381 3.636 1.00 0.00 H new ATOM 967 N PRO A 68 8.434 -10.563 2.514 1.00 0.00 N ATOM 968 CA PRO A 68 9.324 -9.595 1.897 1.00 0.00 C ATOM 969 C PRO A 68 9.065 -9.492 0.393 1.00 0.00 C ATOM 970 O PRO A 68 9.107 -8.402 -0.175 1.00 0.00 O ATOM 971 CB PRO A 68 10.725 -10.084 2.226 1.00 0.00 C ATOM 972 CG PRO A 68 10.577 -11.546 2.612 1.00 0.00 C ATOM 973 CD PRO A 68 9.100 -11.817 2.851 1.00 0.00 C ATOM 0 HA PRO A 68 9.171 -8.583 2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.389 -9.972 1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.158 -9.507 3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.960 -12.191 1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.155 -11.764 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.742 -12.636 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.912 -12.099 3.887 1.00 0.00 H new ATOM 981 N GLU A 69 8.802 -10.642 -0.210 1.00 0.00 N ATOM 982 CA GLU A 69 8.536 -10.695 -1.637 1.00 0.00 C ATOM 983 C GLU A 69 7.193 -10.033 -1.952 1.00 0.00 C ATOM 984 O GLU A 69 6.978 -9.555 -3.065 1.00 0.00 O ATOM 985 CB GLU A 69 8.568 -12.137 -2.148 1.00 0.00 C ATOM 986 CG GLU A 69 9.327 -12.232 -3.474 1.00 0.00 C ATOM 987 CD GLU A 69 8.380 -12.589 -4.622 1.00 0.00 C ATOM 988 OE1 GLU A 69 7.790 -11.642 -5.185 1.00 0.00 O ATOM 989 OE2 GLU A 69 8.269 -13.800 -4.911 1.00 0.00 O ATOM 0 H GLU A 69 8.767 -11.544 0.264 1.00 0.00 H new ATOM 0 HA GLU A 69 9.322 -10.143 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.043 -12.779 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.550 -12.502 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.819 -11.282 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.110 -12.986 -3.396 1.00 0.00 H new ATOM 996 N SER A 70 6.324 -10.026 -0.951 1.00 0.00 N ATOM 997 CA SER A 70 5.008 -9.430 -1.107 1.00 0.00 C ATOM 998 C SER A 70 5.098 -7.912 -0.941 1.00 0.00 C ATOM 999 O SER A 70 4.378 -7.167 -1.605 1.00 0.00 O ATOM 1000 CB SER A 70 4.015 -10.016 -0.101 1.00 0.00 C ATOM 1001 OG SER A 70 3.718 -11.382 -0.378 1.00 0.00 O ATOM 0 H SER A 70 6.506 -10.423 -0.029 1.00 0.00 H new ATOM 0 HA SER A 70 4.646 -9.659 -2.109 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.426 -9.931 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.094 -9.434 -0.120 1.00 0.00 H new ATOM 0 HG SER A 70 3.532 -11.853 0.461 1.00 0.00 H new ATOM 1007 N VAL A 71 5.988 -7.497 -0.051 1.00 0.00 N ATOM 1008 CA VAL A 71 6.181 -6.081 0.211 1.00 0.00 C ATOM 1009 C VAL A 71 6.634 -5.387 -1.075 1.00 0.00 C ATOM 1010 O VAL A 71 6.210 -4.269 -1.363 1.00 0.00 O ATOM 1011 CB VAL A 71 7.162 -5.893 1.370 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.597 -4.431 1.488 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.560 -6.394 2.684 1.00 0.00 C ATOM 0 H VAL A 71 6.584 -8.117 0.498 1.00 0.00 H new ATOM 0 HA VAL A 71 5.244 -5.617 0.518 1.00 0.00 H new ATOM 0 HB VAL A 71 8.049 -6.490 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.294 -4.325 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.085 -4.121 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.723 -3.804 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.277 -6.249 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.649 -5.836 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.324 -7.454 2.595 1.00 0.00 H new ATOM 1023 N GLN A 72 7.491 -6.078 -1.813 1.00 0.00 N ATOM 1024 CA GLN A 72 8.006 -5.541 -3.061 1.00 0.00 C ATOM 1025 C GLN A 72 6.938 -5.620 -4.154 1.00 0.00 C ATOM 1026 O GLN A 72 6.672 -4.634 -4.839 1.00 0.00 O ATOM 1027 CB GLN A 72 9.281 -6.271 -3.487 1.00 0.00 C ATOM 1028 CG GLN A 72 10.384 -5.278 -3.857 1.00 0.00 C ATOM 1029 CD GLN A 72 10.891 -5.526 -5.279 1.00 0.00 C ATOM 1030 OE1 GLN A 72 10.232 -5.230 -6.262 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.096 -6.087 -5.334 1.00 0.00 N ATOM 0 H GLN A 72 7.841 -7.005 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 72 8.261 -4.493 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.623 -6.915 -2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.067 -6.917 -4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.004 -4.260 -3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.210 -5.367 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.595 -6.310 -4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.521 -6.294 -6.238 1.00 0.00 H new ATOM 1040 N SER A 73 6.355 -6.803 -4.282 1.00 0.00 N ATOM 1041 CA SER A 73 5.322 -7.023 -5.280 1.00 0.00 C ATOM 1042 C SER A 73 4.256 -5.930 -5.181 1.00 0.00 C ATOM 1043 O SER A 73 3.926 -5.288 -6.176 1.00 0.00 O ATOM 1044 CB SER A 73 4.683 -8.404 -5.115 1.00 0.00 C ATOM 1045 OG SER A 73 5.570 -9.452 -5.495 1.00 0.00 O ATOM 0 H SER A 73 6.578 -7.619 -3.712 1.00 0.00 H new ATOM 0 HA SER A 73 5.785 -6.981 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.382 -8.542 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.777 -8.459 -5.719 1.00 0.00 H new ATOM 0 HG SER A 73 6.188 -9.641 -4.758 1.00 0.00 H new ATOM 1051 N ALA A 74 3.747 -5.752 -3.970 1.00 0.00 N ATOM 1052 CA ALA A 74 2.726 -4.748 -3.728 1.00 0.00 C ATOM 1053 C ALA A 74 3.263 -3.373 -4.132 1.00 0.00 C ATOM 1054 O ALA A 74 2.601 -2.633 -4.859 1.00 0.00 O ATOM 1055 CB ALA A 74 2.298 -4.798 -2.260 1.00 0.00 C ATOM 0 H ALA A 74 4.023 -6.287 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 74 1.841 -4.947 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.532 -4.044 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.897 -5.785 -2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.160 -4.600 -1.623 1.00 0.00 H new ATOM 1061 N LYS A 75 4.457 -3.072 -3.644 1.00 0.00 N ATOM 1062 CA LYS A 75 5.090 -1.800 -3.945 1.00 0.00 C ATOM 1063 C LYS A 75 5.011 -1.540 -5.451 1.00 0.00 C ATOM 1064 O LYS A 75 4.575 -0.472 -5.878 1.00 0.00 O ATOM 1065 CB LYS A 75 6.515 -1.765 -3.389 1.00 0.00 C ATOM 1066 CG LYS A 75 6.515 -1.388 -1.906 1.00 0.00 C ATOM 1067 CD LYS A 75 7.751 -1.948 -1.198 1.00 0.00 C ATOM 1068 CE LYS A 75 8.919 -0.962 -1.271 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.993 -1.493 -2.139 1.00 0.00 N ATOM 0 H LYS A 75 5.003 -3.688 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 75 4.560 -0.985 -3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.985 -2.740 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.111 -1.046 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.493 -0.303 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.613 -1.772 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.513 -2.159 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.040 -2.894 -1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.570 -0.005 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.310 -0.778 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.777 -0.811 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.337 -2.395 -1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.621 -1.646 -3.098 1.00 0.00 H new ATOM 1083 N ARG A 76 5.440 -2.534 -6.214 1.00 0.00 N ATOM 1084 CA ARG A 76 5.424 -2.427 -7.663 1.00 0.00 C ATOM 1085 C ARG A 76 4.037 -1.999 -8.148 1.00 0.00 C ATOM 1086 O ARG A 76 3.919 -1.225 -9.096 1.00 0.00 O ATOM 1087 CB ARG A 76 5.797 -3.758 -8.318 1.00 0.00 C ATOM 1088 CG ARG A 76 7.241 -4.143 -7.992 1.00 0.00 C ATOM 1089 CD ARG A 76 8.181 -3.771 -9.141 1.00 0.00 C ATOM 1090 NE ARG A 76 8.088 -4.781 -10.218 1.00 0.00 N ATOM 1091 CZ ARG A 76 8.732 -5.956 -10.204 1.00 0.00 C ATOM 1092 NH1 ARG A 76 9.519 -6.277 -9.168 1.00 0.00 N ATOM 1093 NH2 ARG A 76 8.588 -6.811 -11.226 1.00 0.00 N ATOM 0 H ARG A 76 5.801 -3.418 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 76 6.161 -1.676 -7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.121 -4.540 -7.972 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.672 -3.684 -9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.559 -3.638 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.301 -5.214 -7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.921 -2.787 -9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.207 -3.709 -8.777 1.00 0.00 H new ATOM 0 HE ARG A 76 7.497 -4.570 -11.022 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.628 -5.627 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.009 -7.172 -9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.988 -6.567 -12.014 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.078 -7.705 -11.216 1.00 0.00 H new ATOM 1107 N LEU A 77 3.022 -2.521 -7.474 1.00 0.00 N ATOM 1108 CA LEU A 77 1.649 -2.203 -7.824 1.00 0.00 C ATOM 1109 C LEU A 77 1.352 -0.752 -7.439 1.00 0.00 C ATOM 1110 O LEU A 77 0.800 0.005 -8.236 1.00 0.00 O ATOM 1111 CB LEU A 77 0.688 -3.215 -7.197 1.00 0.00 C ATOM 1112 CG LEU A 77 0.658 -4.601 -7.843 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.145 -5.654 -6.859 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.154 -4.585 -9.140 1.00 0.00 C ATOM 0 H LEU A 77 3.124 -3.162 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 77 1.502 -2.284 -8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.950 -3.332 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.319 -2.799 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 77 1.679 -4.877 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.134 -6.630 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.800 -5.689 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.865 -5.395 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.159 -5.583 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.178 -4.278 -8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.295 -3.883 -9.842 1.00 0.00 H new ATOM 1126 N LEU A 78 1.731 -0.409 -6.217 1.00 0.00 N ATOM 1127 CA LEU A 78 1.512 0.938 -5.716 1.00 0.00 C ATOM 1128 C LEU A 78 2.210 1.940 -6.638 1.00 0.00 C ATOM 1129 O LEU A 78 1.553 2.746 -7.295 1.00 0.00 O ATOM 1130 CB LEU A 78 1.947 1.042 -4.253 1.00 0.00 C ATOM 1131 CG LEU A 78 1.170 0.176 -3.259 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.723 0.338 -1.841 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.329 0.474 -3.327 1.00 0.00 C ATOM 0 H LEU A 78 2.188 -1.040 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 78 0.449 1.181 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.002 0.776 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.861 2.083 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 78 1.304 -0.869 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.153 -0.288 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.770 0.037 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.640 1.381 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.858 -0.155 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.503 1.523 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.696 0.267 -4.332 1.00 0.00 H new ATOM 1145 N ASP A 79 3.532 1.857 -6.657 1.00 0.00 N ATOM 1146 CA ASP A 79 4.326 2.746 -7.487 1.00 0.00 C ATOM 1147 C ASP A 79 3.703 2.826 -8.882 1.00 0.00 C ATOM 1148 O ASP A 79 3.507 3.916 -9.417 1.00 0.00 O ATOM 1149 CB ASP A 79 5.757 2.228 -7.638 1.00 0.00 C ATOM 1150 CG ASP A 79 6.723 3.188 -8.334 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.347 4.373 -8.469 1.00 0.00 O ATOM 1152 OD2 ASP A 79 7.816 2.717 -8.715 1.00 0.00 O ATOM 0 H ASP A 79 4.073 1.187 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 79 4.346 3.725 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.150 1.996 -6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.732 1.293 -8.198 1.00 0.00 H new ATOM 1157 N GLN A 80 3.409 1.657 -9.432 1.00 0.00 N ATOM 1158 CA GLN A 80 2.812 1.580 -10.755 1.00 0.00 C ATOM 1159 C GLN A 80 1.773 2.690 -10.933 1.00 0.00 C ATOM 1160 O GLN A 80 1.912 3.539 -11.812 1.00 0.00 O ATOM 1161 CB GLN A 80 2.191 0.203 -10.997 1.00 0.00 C ATOM 1162 CG GLN A 80 3.042 -0.619 -11.967 1.00 0.00 C ATOM 1163 CD GLN A 80 2.536 -0.468 -13.403 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.972 0.387 -14.156 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.593 -1.344 -13.740 1.00 0.00 N ATOM 0 H GLN A 80 3.573 0.755 -8.985 1.00 0.00 H new ATOM 0 HA GLN A 80 3.598 1.722 -11.497 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.096 -0.329 -10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.185 0.319 -11.399 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.081 -0.296 -11.908 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.018 -1.670 -11.678 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.272 -2.035 -13.061 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.191 -1.325 -14.677 1.00 0.00 H new ATOM 1174 N ILE A 81 0.757 2.647 -10.084 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.305 3.637 -10.137 1.00 0.00 C ATOM 1176 C ILE A 81 0.312 5.033 -10.251 1.00 0.00 C ATOM 1177 O ILE A 81 -0.105 5.833 -11.087 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.248 3.477 -8.943 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -2.242 2.338 -9.179 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.952 4.796 -8.620 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.981 1.979 -7.888 1.00 0.00 C ATOM 0 H ILE A 81 0.647 1.942 -9.355 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.922 3.487 -11.023 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.653 3.209 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.961 2.631 -9.944 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.714 1.462 -9.556 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.616 4.655 -7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.209 5.556 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.534 5.119 -9.483 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.681 1.167 -8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.261 1.664 -7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.527 2.850 -7.527 1.00 0.00 H new ATOM 1193 N VAL A 82 1.294 5.283 -9.398 1.00 0.00 N ATOM 1194 CA VAL A 82 1.972 6.568 -9.392 1.00 0.00 C ATOM 1195 C VAL A 82 2.688 6.768 -10.729 1.00 0.00 C ATOM 1196 O VAL A 82 2.420 7.733 -11.443 1.00 0.00 O ATOM 1197 CB VAL A 82 2.914 6.657 -8.190 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.644 8.002 -8.164 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.158 6.418 -6.882 1.00 0.00 C ATOM 0 H VAL A 82 1.637 4.617 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 82 1.252 7.379 -9.284 1.00 0.00 H new ATOM 0 HB VAL A 82 3.663 5.871 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.307 8.039 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.230 8.116 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.916 8.810 -8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.851 6.487 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.377 7.170 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.706 5.426 -6.899 1.00 0.00 H new