USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 385 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 17 CYS SG : rot 40:sc= -1.1! USER MOD Set 1.2: A 20 CYS SG : rot -57:sc= -1.71! USER MOD Set 1.3: A 40 HIS : no HE2:sc= -1.11 K(o=-4.7,f=-11!) USER MOD Set 1.4: A 43 CYS SG : rot -171:sc= -0.768 USER MOD Set 2.1: A 35 CYS SG : rot 149:sc= -2.25! USER MOD Set 2.2: A 37 HIS : no HE2:sc= -0.131 X(o=-2.4,f=-2.7) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00159) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0602 X(o=-0.06,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.205 USER MOD Single : A 51 ASN : amide:sc= -1.23! C(o=-1.2!,f=-4.7!) USER MOD Single : A 52 LYS NZ :NH3+ -140:sc= 0.996 (180deg=-0.275) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 200 N GLU A 15 -9.627 5.543 -2.962 1.00 1.13 N ATOM 201 CA GLU A 15 -8.531 4.598 -3.069 1.00 0.95 C ATOM 202 C GLU A 15 -7.203 5.323 -2.832 1.00 0.81 C ATOM 203 O GLU A 15 -6.575 5.837 -3.756 1.00 0.82 O ATOM 204 CB GLU A 15 -8.613 3.841 -4.402 1.00 0.97 C ATOM 205 CG GLU A 15 -9.919 3.027 -4.431 1.00 1.84 C ATOM 206 CD GLU A 15 -9.901 1.896 -5.461 1.00 2.32 C ATOM 207 OE1 GLU A 15 -8.995 1.039 -5.350 1.00 2.70 O ATOM 208 OE2 GLU A 15 -10.831 1.855 -6.297 1.00 3.06 O ATOM 0 HA GLU A 15 -8.602 3.834 -2.295 1.00 0.95 H new ATOM 0 HB2 GLU A 15 -8.587 4.542 -5.236 1.00 0.97 H new ATOM 0 HB3 GLU A 15 -7.754 3.180 -4.514 1.00 0.97 H new ATOM 0 HG2 GLU A 15 -10.099 2.606 -3.442 1.00 1.84 H new ATOM 0 HG3 GLU A 15 -10.752 3.696 -4.650 1.00 1.84 H new ATOM 215 N LYS A 16 -6.768 5.371 -1.566 1.00 0.88 N ATOM 216 CA LYS A 16 -5.523 6.017 -1.166 1.00 0.92 C ATOM 217 C LYS A 16 -4.465 5.001 -0.751 1.00 0.82 C ATOM 218 O LYS A 16 -4.712 4.096 0.041 1.00 0.90 O ATOM 219 CB LYS A 16 -5.743 7.009 -0.010 1.00 1.24 C ATOM 220 CG LYS A 16 -6.148 8.407 -0.496 1.00 1.49 C ATOM 221 CD LYS A 16 -5.612 9.499 0.438 1.00 1.45 C ATOM 222 CE LYS A 16 -5.656 10.868 -0.247 1.00 1.70 C ATOM 223 NZ LYS A 16 -7.030 11.405 -0.346 1.00 2.13 N ATOM 0 H LYS A 16 -7.280 4.957 -0.787 1.00 0.88 H new ATOM 0 HA LYS A 16 -5.169 6.561 -2.042 1.00 0.92 H new ATOM 0 HB2 LYS A 16 -6.516 6.622 0.653 1.00 1.24 H new ATOM 0 HB3 LYS A 16 -4.828 7.084 0.577 1.00 1.24 H new ATOM 0 HG2 LYS A 16 -5.766 8.568 -1.504 1.00 1.49 H new ATOM 0 HG3 LYS A 16 -7.234 8.474 -0.552 1.00 1.49 H new ATOM 0 HD2 LYS A 16 -6.205 9.525 1.352 1.00 1.45 H new ATOM 0 HD3 LYS A 16 -4.588 9.265 0.729 1.00 1.45 H new ATOM 0 HE2 LYS A 16 -5.034 11.569 0.309 1.00 1.70 H new ATOM 0 HE3 LYS A 16 -5.228 10.785 -1.246 1.00 1.70 H new ATOM 0 HZ1 LYS A 16 -7.011 12.316 -0.847 1.00 2.13 H new ATOM 0 HZ2 LYS A 16 -7.628 10.734 -0.870 1.00 2.13 H new ATOM 0 HZ3 LYS A 16 -7.419 11.543 0.609 1.00 2.13 H new ATOM 237 N CYS A 17 -3.252 5.241 -1.243 1.00 0.77 N ATOM 238 CA CYS A 17 -2.001 4.625 -0.839 1.00 0.73 C ATOM 239 C CYS A 17 -1.672 5.146 0.563 1.00 0.78 C ATOM 240 O CYS A 17 -1.514 6.351 0.743 1.00 0.93 O ATOM 241 CB CYS A 17 -0.973 5.164 -1.845 1.00 0.70 C ATOM 242 SG CYS A 17 0.723 4.536 -1.651 1.00 0.67 S ATOM 0 H CYS A 17 -3.113 5.922 -1.989 1.00 0.77 H new ATOM 0 HA CYS A 17 -2.023 3.535 -0.822 1.00 0.73 H new ATOM 0 HB2 CYS A 17 -1.317 4.925 -2.851 1.00 0.70 H new ATOM 0 HB3 CYS A 17 -0.950 6.251 -1.766 1.00 0.70 H new ATOM 0 HG CYS A 17 0.686 3.269 -1.361 1.00 0.67 H new ATOM 247 N THR A 18 -1.527 4.273 1.563 1.00 0.75 N ATOM 248 CA THR A 18 -1.181 4.732 2.910 1.00 0.86 C ATOM 249 C THR A 18 0.258 5.264 2.974 1.00 0.74 C ATOM 250 O THR A 18 0.604 5.980 3.906 1.00 0.83 O ATOM 251 CB THR A 18 -1.472 3.623 3.944 1.00 0.99 C ATOM 252 OG1 THR A 18 -2.199 4.118 5.049 1.00 1.19 O ATOM 253 CG2 THR A 18 -0.226 2.922 4.492 1.00 0.96 C ATOM 0 H THR A 18 -1.641 3.264 1.469 1.00 0.75 H new ATOM 0 HA THR A 18 -1.815 5.580 3.168 1.00 0.86 H new ATOM 0 HB THR A 18 -2.054 2.893 3.382 1.00 0.99 H new ATOM 0 HG1 THR A 18 -2.367 3.390 5.683 1.00 1.19 H new ATOM 0 HG21 THR A 18 -0.524 2.159 5.211 1.00 0.96 H new ATOM 0 HG22 THR A 18 0.319 2.455 3.672 1.00 0.96 H new ATOM 0 HG23 THR A 18 0.416 3.653 4.984 1.00 0.96 H new ATOM 261 N ILE A 19 1.118 4.908 2.015 1.00 0.57 N ATOM 262 CA ILE A 19 2.528 5.249 2.060 1.00 0.53 C ATOM 263 C ILE A 19 2.738 6.672 1.546 1.00 0.55 C ATOM 264 O ILE A 19 3.305 7.498 2.251 1.00 0.64 O ATOM 265 CB ILE A 19 3.293 4.191 1.260 1.00 0.45 C ATOM 266 CG1 ILE A 19 3.319 2.878 2.057 1.00 0.51 C ATOM 267 CG2 ILE A 19 4.724 4.630 0.954 1.00 0.46 C ATOM 268 CD1 ILE A 19 3.338 1.686 1.109 1.00 0.50 C ATOM 0 H ILE A 19 0.848 4.375 1.188 1.00 0.57 H new ATOM 0 HA ILE A 19 2.911 5.242 3.080 1.00 0.53 H new ATOM 0 HB ILE A 19 2.780 4.051 0.309 1.00 0.45 H new ATOM 0 HG12 ILE A 19 4.198 2.853 2.702 1.00 0.51 H new ATOM 0 HG13 ILE A 19 2.445 2.821 2.706 1.00 0.51 H new ATOM 0 HG21 ILE A 19 5.230 3.850 0.385 1.00 0.46 H new ATOM 0 HG22 ILE A 19 4.705 5.550 0.370 1.00 0.46 H new ATOM 0 HG23 ILE A 19 5.259 4.803 1.888 1.00 0.46 H new ATOM 0 HD11 ILE A 19 3.356 0.762 1.687 1.00 0.50 H new ATOM 0 HD12 ILE A 19 2.446 1.705 0.483 1.00 0.50 H new ATOM 0 HD13 ILE A 19 4.225 1.737 0.478 1.00 0.50 H new ATOM 280 N CYS A 20 2.295 6.969 0.318 1.00 0.52 N ATOM 281 CA CYS A 20 2.415 8.316 -0.232 1.00 0.60 C ATOM 282 C CYS A 20 1.191 9.165 0.140 1.00 0.67 C ATOM 283 O CYS A 20 1.123 10.332 -0.240 1.00 0.75 O ATOM 284 CB CYS A 20 2.605 8.244 -1.755 1.00 0.69 C ATOM 285 SG CYS A 20 1.283 7.312 -2.569 1.00 1.59 S ATOM 0 H CYS A 20 1.853 6.295 -0.307 1.00 0.52 H new ATOM 0 HA CYS A 20 3.292 8.799 0.200 1.00 0.60 H new ATOM 0 HB2 CYS A 20 2.639 9.254 -2.163 1.00 0.69 H new ATOM 0 HB3 CYS A 20 3.565 7.778 -1.978 1.00 0.69 H new ATOM 0 HG CYS A 20 1.220 6.116 -2.063 1.00 1.59 H new ATOM 290 N LEU A 21 0.237 8.600 0.891 1.00 0.70 N ATOM 291 CA LEU A 21 -0.933 9.277 1.442 1.00 0.85 C ATOM 292 C LEU A 21 -1.704 10.057 0.377 1.00 0.98 C ATOM 293 O LEU A 21 -2.321 11.083 0.660 1.00 1.28 O ATOM 294 CB LEU A 21 -0.508 10.129 2.648 1.00 0.93 C ATOM 295 CG LEU A 21 0.055 9.259 3.784 1.00 0.95 C ATOM 296 CD1 LEU A 21 0.776 10.140 4.800 1.00 1.09 C ATOM 297 CD2 LEU A 21 -1.059 8.489 4.501 1.00 1.07 C ATOM 0 H LEU A 21 0.266 7.611 1.140 1.00 0.70 H new ATOM 0 HA LEU A 21 -1.644 8.532 1.800 1.00 0.85 H new ATOM 0 HB2 LEU A 21 0.245 10.853 2.336 1.00 0.93 H new ATOM 0 HB3 LEU A 21 -1.364 10.697 3.013 1.00 0.93 H new ATOM 0 HG LEU A 21 0.748 8.543 3.343 1.00 0.95 H new ATOM 0 HD11 LEU A 21 1.173 9.519 5.603 1.00 1.09 H new ATOM 0 HD12 LEU A 21 1.595 10.666 4.309 1.00 1.09 H new ATOM 0 HD13 LEU A 21 0.076 10.865 5.215 1.00 1.09 H new ATOM 0 HD21 LEU A 21 -0.628 7.884 5.298 1.00 1.07 H new ATOM 0 HD22 LEU A 21 -1.773 9.194 4.926 1.00 1.07 H new ATOM 0 HD23 LEU A 21 -1.570 7.841 3.789 1.00 1.07 H new ATOM 309 N SER A 22 -1.739 9.526 -0.845 1.00 0.87 N ATOM 310 CA SER A 22 -2.370 10.173 -1.980 1.00 1.04 C ATOM 311 C SER A 22 -3.257 9.168 -2.700 1.00 0.88 C ATOM 312 O SER A 22 -3.184 7.967 -2.435 1.00 0.93 O ATOM 313 CB SER A 22 -1.300 10.753 -2.904 1.00 1.20 C ATOM 314 OG SER A 22 -1.901 11.689 -3.777 1.00 1.97 O ATOM 0 H SER A 22 -1.323 8.623 -1.071 1.00 0.87 H new ATOM 0 HA SER A 22 -2.997 10.999 -1.644 1.00 1.04 H new ATOM 0 HB2 SER A 22 -0.517 11.234 -2.318 1.00 1.20 H new ATOM 0 HB3 SER A 22 -0.825 9.956 -3.476 1.00 1.20 H new ATOM 0 HG SER A 22 -1.219 12.066 -4.372 1.00 1.97 H new ATOM 320 N ILE A 23 -4.137 9.667 -3.564 1.00 0.77 N ATOM 321 CA ILE A 23 -5.051 8.859 -4.342 1.00 0.71 C ATOM 322 C ILE A 23 -4.269 8.127 -5.435 1.00 0.68 C ATOM 323 O ILE A 23 -3.183 8.553 -5.832 1.00 0.74 O ATOM 324 CB ILE A 23 -6.138 9.795 -4.894 1.00 0.78 C ATOM 325 CG1 ILE A 23 -7.058 10.317 -3.778 1.00 0.88 C ATOM 326 CG2 ILE A 23 -6.978 9.138 -5.975 1.00 0.80 C ATOM 327 CD1 ILE A 23 -8.060 9.275 -3.260 1.00 1.71 C ATOM 0 H ILE A 23 -4.231 10.667 -3.741 1.00 0.77 H new ATOM 0 HA ILE A 23 -5.538 8.089 -3.743 1.00 0.71 H new ATOM 0 HB ILE A 23 -5.606 10.635 -5.340 1.00 0.78 H new ATOM 0 HG12 ILE A 23 -6.444 10.662 -2.946 1.00 0.88 H new ATOM 0 HG13 ILE A 23 -7.607 11.182 -4.148 1.00 0.88 H new ATOM 0 HG21 ILE A 23 -7.730 9.843 -6.330 1.00 0.80 H new ATOM 0 HG22 ILE A 23 -6.336 8.843 -6.805 1.00 0.80 H new ATOM 0 HG23 ILE A 23 -7.471 8.256 -5.567 1.00 0.80 H new ATOM 0 HD11 ILE A 23 -8.673 9.718 -2.475 1.00 1.71 H new ATOM 0 HD12 ILE A 23 -8.700 8.947 -4.079 1.00 1.71 H new ATOM 0 HD13 ILE A 23 -7.519 8.419 -2.858 1.00 1.71 H new ATOM 339 N LEU A 24 -4.835 7.008 -5.880 1.00 0.65 N ATOM 340 CA LEU A 24 -4.347 6.139 -6.934 1.00 0.65 C ATOM 341 C LEU A 24 -5.045 6.510 -8.250 1.00 0.73 C ATOM 342 O LEU A 24 -5.510 7.631 -8.421 1.00 0.82 O ATOM 343 CB LEU A 24 -4.683 4.706 -6.482 1.00 0.62 C ATOM 344 CG LEU A 24 -4.010 4.365 -5.142 1.00 0.60 C ATOM 345 CD1 LEU A 24 -4.519 3.041 -4.597 1.00 0.63 C ATOM 346 CD2 LEU A 24 -2.504 4.299 -5.329 1.00 0.59 C ATOM 0 H LEU A 24 -5.709 6.665 -5.481 1.00 0.65 H new ATOM 0 HA LEU A 24 -3.275 6.235 -7.107 1.00 0.65 H new ATOM 0 HB2 LEU A 24 -5.763 4.598 -6.386 1.00 0.62 H new ATOM 0 HB3 LEU A 24 -4.358 3.997 -7.244 1.00 0.62 H new ATOM 0 HG LEU A 24 -4.257 5.147 -4.424 1.00 0.60 H new ATOM 0 HD11 LEU A 24 -4.027 2.824 -3.649 1.00 0.63 H new ATOM 0 HD12 LEU A 24 -5.596 3.102 -4.441 1.00 0.63 H new ATOM 0 HD13 LEU A 24 -4.300 2.246 -5.310 1.00 0.63 H new ATOM 0 HD21 LEU A 24 -2.030 4.057 -4.378 1.00 0.59 H new ATOM 0 HD22 LEU A 24 -2.262 3.529 -6.062 1.00 0.59 H new ATOM 0 HD23 LEU A 24 -2.139 5.263 -5.682 1.00 0.59 H new ATOM 358 N GLU A 25 -5.154 5.577 -9.188 1.00 0.78 N ATOM 359 CA GLU A 25 -6.118 5.642 -10.275 1.00 0.84 C ATOM 360 C GLU A 25 -6.484 4.226 -10.734 1.00 0.88 C ATOM 361 O GLU A 25 -5.926 3.238 -10.254 1.00 0.91 O ATOM 362 CB GLU A 25 -5.588 6.512 -11.424 1.00 0.89 C ATOM 363 CG GLU A 25 -4.353 5.937 -12.126 1.00 1.00 C ATOM 364 CD GLU A 25 -3.883 6.836 -13.277 1.00 1.15 C ATOM 365 OE1 GLU A 25 -3.643 6.294 -14.380 1.00 1.65 O ATOM 366 OE2 GLU A 25 -3.770 8.062 -13.054 1.00 1.96 O ATOM 0 H GLU A 25 -4.567 4.744 -9.214 1.00 0.78 H new ATOM 0 HA GLU A 25 -7.031 6.119 -9.919 1.00 0.84 H new ATOM 0 HB2 GLU A 25 -6.381 6.646 -12.160 1.00 0.89 H new ATOM 0 HB3 GLU A 25 -5.344 7.500 -11.034 1.00 0.89 H new ATOM 0 HG2 GLU A 25 -3.546 5.820 -11.403 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -4.583 4.944 -12.511 1.00 1.00 H new ATOM 373 N GLU A 26 -7.441 4.116 -11.657 1.00 0.96 N ATOM 374 CA GLU A 26 -7.873 2.830 -12.182 1.00 1.00 C ATOM 375 C GLU A 26 -6.774 2.244 -13.071 1.00 1.03 C ATOM 376 O GLU A 26 -6.220 2.938 -13.920 1.00 1.47 O ATOM 377 CB GLU A 26 -9.186 3.020 -12.958 1.00 1.18 C ATOM 378 CG GLU A 26 -9.696 1.760 -13.675 1.00 1.36 C ATOM 379 CD GLU A 26 -9.994 0.603 -12.719 1.00 1.83 C ATOM 380 OE1 GLU A 26 -9.017 0.079 -12.137 1.00 3.53 O ATOM 381 OE2 GLU A 26 -11.186 0.240 -12.607 1.00 2.07 O ATOM 0 H GLU A 26 -7.933 4.915 -12.057 1.00 0.96 H new ATOM 0 HA GLU A 26 -8.054 2.128 -11.368 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -9.955 3.364 -12.266 1.00 1.18 H new ATOM 0 HB3 GLU A 26 -9.045 3.810 -13.696 1.00 1.18 H new ATOM 0 HG2 GLU A 26 -10.601 2.007 -14.230 1.00 1.36 H new ATOM 0 HG3 GLU A 26 -8.952 1.438 -14.404 1.00 1.36 H new ATOM 388 N GLY A 27 -6.471 0.958 -12.896 1.00 1.01 N ATOM 389 CA GLY A 27 -5.497 0.256 -13.717 1.00 1.18 C ATOM 390 C GLY A 27 -4.054 0.665 -13.421 1.00 1.02 C ATOM 391 O GLY A 27 -3.164 0.356 -14.212 1.00 1.16 O ATOM 0 H GLY A 27 -6.899 0.375 -12.176 1.00 1.01 H new ATOM 0 HA2 GLY A 27 -5.604 -0.817 -13.558 1.00 1.18 H new ATOM 0 HA3 GLY A 27 -5.713 0.446 -14.768 1.00 1.18 H new ATOM 395 N GLU A 28 -3.802 1.347 -12.301 1.00 0.89 N ATOM 396 CA GLU A 28 -2.464 1.757 -11.916 1.00 0.77 C ATOM 397 C GLU A 28 -1.687 0.551 -11.377 1.00 0.66 C ATOM 398 O GLU A 28 -2.252 -0.505 -11.084 1.00 0.70 O ATOM 399 CB GLU A 28 -2.572 2.854 -10.847 1.00 0.75 C ATOM 400 CG GLU A 28 -1.473 3.918 -10.948 1.00 0.99 C ATOM 401 CD GLU A 28 -1.497 4.892 -9.766 1.00 1.54 C ATOM 402 OE1 GLU A 28 -2.311 4.702 -8.832 1.00 2.57 O ATOM 403 OE2 GLU A 28 -0.635 5.797 -9.730 1.00 2.20 O ATOM 0 H GLU A 28 -4.526 1.627 -11.640 1.00 0.89 H new ATOM 0 HA GLU A 28 -1.928 2.149 -12.780 1.00 0.77 H new ATOM 0 HB2 GLU A 28 -3.545 3.339 -10.932 1.00 0.75 H new ATOM 0 HB3 GLU A 28 -2.531 2.393 -9.860 1.00 0.75 H new ATOM 0 HG2 GLU A 28 -0.500 3.429 -10.993 1.00 0.99 H new ATOM 0 HG3 GLU A 28 -1.594 4.475 -11.877 1.00 0.99 H new ATOM 410 N ASP A 29 -0.378 0.708 -11.200 1.00 0.61 N ATOM 411 CA ASP A 29 0.441 -0.272 -10.513 1.00 0.57 C ATOM 412 C ASP A 29 0.137 -0.220 -9.019 1.00 0.55 C ATOM 413 O ASP A 29 0.495 0.719 -8.305 1.00 0.66 O ATOM 414 CB ASP A 29 1.926 -0.046 -10.813 1.00 0.66 C ATOM 415 CG ASP A 29 2.460 1.312 -10.342 1.00 2.61 C ATOM 416 OD1 ASP A 29 3.308 1.334 -9.415 1.00 4.05 O ATOM 417 OD2 ASP A 29 2.020 2.311 -10.951 1.00 3.62 O ATOM 0 H ASP A 29 0.140 1.521 -11.531 1.00 0.61 H new ATOM 0 HA ASP A 29 0.201 -1.272 -10.874 1.00 0.57 H new ATOM 0 HB2 ASP A 29 2.506 -0.837 -10.338 1.00 0.66 H new ATOM 0 HB3 ASP A 29 2.086 -0.135 -11.888 1.00 0.66 H new ATOM 422 N VAL A 30 -0.533 -1.253 -8.520 1.00 0.52 N ATOM 423 CA VAL A 30 -0.960 -1.332 -7.140 1.00 0.59 C ATOM 424 C VAL A 30 -0.652 -2.730 -6.641 1.00 0.56 C ATOM 425 O VAL A 30 -0.216 -3.596 -7.403 1.00 0.61 O ATOM 426 CB VAL A 30 -2.445 -0.948 -6.988 1.00 0.68 C ATOM 427 CG1 VAL A 30 -2.672 0.510 -7.392 1.00 0.72 C ATOM 428 CG2 VAL A 30 -3.373 -1.844 -7.815 1.00 0.73 C ATOM 0 H VAL A 30 -0.795 -2.067 -9.076 1.00 0.52 H new ATOM 0 HA VAL A 30 -0.418 -0.612 -6.527 1.00 0.59 H new ATOM 0 HB VAL A 30 -2.689 -1.087 -5.935 1.00 0.68 H new ATOM 0 HG11 VAL A 30 -3.727 0.759 -7.277 1.00 0.72 H new ATOM 0 HG12 VAL A 30 -2.074 1.161 -6.755 1.00 0.72 H new ATOM 0 HG13 VAL A 30 -2.378 0.649 -8.432 1.00 0.72 H new ATOM 0 HG21 VAL A 30 -4.406 -1.529 -7.671 1.00 0.73 H new ATOM 0 HG22 VAL A 30 -3.113 -1.762 -8.870 1.00 0.73 H new ATOM 0 HG23 VAL A 30 -3.261 -2.879 -7.493 1.00 0.73 H new ATOM 438 N ARG A 31 -0.846 -2.943 -5.346 1.00 0.67 N ATOM 439 CA ARG A 31 -0.527 -4.174 -4.661 1.00 0.61 C ATOM 440 C ARG A 31 -1.508 -4.313 -3.507 1.00 0.61 C ATOM 441 O ARG A 31 -2.142 -3.339 -3.098 1.00 0.72 O ATOM 442 CB ARG A 31 0.918 -4.099 -4.143 1.00 0.75 C ATOM 443 CG ARG A 31 1.931 -4.738 -5.102 1.00 0.88 C ATOM 444 CD ARG A 31 2.002 -6.261 -4.918 1.00 1.19 C ATOM 445 NE ARG A 31 3.293 -6.676 -4.343 1.00 1.61 N ATOM 446 CZ ARG A 31 3.714 -7.941 -4.220 1.00 1.99 C ATOM 447 NH1 ARG A 31 4.947 -8.195 -3.780 1.00 3.03 N ATOM 448 NH2 ARG A 31 2.902 -8.950 -4.543 1.00 2.33 N ATOM 0 H ARG A 31 -1.244 -2.235 -4.729 1.00 0.67 H new ATOM 0 HA ARG A 31 -0.606 -5.036 -5.323 1.00 0.61 H new ATOM 0 HB2 ARG A 31 1.187 -3.055 -3.982 1.00 0.75 H new ATOM 0 HB3 ARG A 31 0.978 -4.597 -3.175 1.00 0.75 H new ATOM 0 HG2 ARG A 31 1.654 -4.508 -6.131 1.00 0.88 H new ATOM 0 HG3 ARG A 31 2.917 -4.304 -4.933 1.00 0.88 H new ATOM 0 HD2 ARG A 31 1.191 -6.588 -4.267 1.00 1.19 H new ATOM 0 HD3 ARG A 31 1.857 -6.752 -5.880 1.00 1.19 H new ATOM 0 HE ARG A 31 3.917 -5.940 -4.012 1.00 1.61 H new ATOM 0 HH11 ARG A 31 5.570 -7.425 -3.537 1.00 3.03 H new ATOM 0 HH12 ARG A 31 5.267 -9.159 -3.687 1.00 3.03 H new ATOM 0 HH21 ARG A 31 1.960 -8.758 -4.884 1.00 2.33 H new ATOM 0 HH22 ARG A 31 3.223 -9.913 -4.449 1.00 2.33 H new ATOM 462 N ARG A 32 -1.610 -5.519 -2.956 1.00 0.62 N ATOM 463 CA ARG A 32 -2.498 -5.810 -1.848 1.00 0.66 C ATOM 464 C ARG A 32 -1.706 -6.684 -0.887 1.00 0.56 C ATOM 465 O ARG A 32 -0.871 -7.469 -1.334 1.00 0.75 O ATOM 466 CB ARG A 32 -3.756 -6.508 -2.385 1.00 0.91 C ATOM 467 CG ARG A 32 -5.028 -6.191 -1.592 1.00 1.62 C ATOM 468 CD ARG A 32 -4.992 -6.664 -0.133 1.00 0.77 C ATOM 469 NE ARG A 32 -6.303 -7.165 0.301 1.00 1.47 N ATOM 470 CZ ARG A 32 -7.375 -6.406 0.562 1.00 2.20 C ATOM 471 NH1 ARG A 32 -8.522 -6.981 0.924 1.00 2.65 N ATOM 472 NH2 ARG A 32 -7.287 -5.077 0.484 1.00 3.61 N ATOM 0 H ARG A 32 -1.071 -6.325 -3.273 1.00 0.62 H new ATOM 0 HA ARG A 32 -2.837 -4.915 -1.327 1.00 0.66 H new ATOM 0 HB2 ARG A 32 -3.906 -6.216 -3.425 1.00 0.91 H new ATOM 0 HB3 ARG A 32 -3.593 -7.586 -2.376 1.00 0.91 H new ATOM 0 HG2 ARG A 32 -5.195 -5.114 -1.609 1.00 1.62 H new ATOM 0 HG3 ARG A 32 -5.879 -6.654 -2.092 1.00 1.62 H new ATOM 0 HD2 ARG A 32 -4.246 -7.451 -0.022 1.00 0.77 H new ATOM 0 HD3 ARG A 32 -4.685 -5.840 0.511 1.00 0.77 H new ATOM 0 HE ARG A 32 -6.405 -8.174 0.413 1.00 1.47 H new ATOM 0 HH11 ARG A 32 -8.581 -7.996 1.002 1.00 2.65 H new ATOM 0 HH12 ARG A 32 -9.340 -6.406 1.123 1.00 2.65 H new ATOM 0 HH21 ARG A 32 -6.403 -4.639 0.225 1.00 3.61 H new ATOM 0 HH22 ARG A 32 -8.104 -4.499 0.683 1.00 3.61 H new ATOM 486 N LEU A 33 -1.944 -6.533 0.412 1.00 0.50 N ATOM 487 CA LEU A 33 -1.218 -7.213 1.468 1.00 0.43 C ATOM 488 C LEU A 33 -2.237 -7.828 2.425 1.00 0.44 C ATOM 489 O LEU A 33 -3.403 -7.424 2.412 1.00 0.53 O ATOM 490 CB LEU A 33 -0.248 -6.239 2.162 1.00 0.45 C ATOM 491 CG LEU A 33 -0.548 -4.740 1.990 1.00 0.49 C ATOM 492 CD1 LEU A 33 0.246 -3.977 3.050 1.00 0.83 C ATOM 493 CD2 LEU A 33 -0.117 -4.173 0.630 1.00 0.74 C ATOM 0 H LEU A 33 -2.672 -5.913 0.765 1.00 0.50 H new ATOM 0 HA LEU A 33 -0.600 -8.016 1.066 1.00 0.43 H new ATOM 0 HB2 LEU A 33 -0.240 -6.466 3.228 1.00 0.45 H new ATOM 0 HB3 LEU A 33 0.757 -6.432 1.787 1.00 0.45 H new ATOM 0 HG LEU A 33 -1.628 -4.625 2.077 1.00 0.49 H new ATOM 0 HD11 LEU A 33 0.052 -2.909 2.951 1.00 0.83 H new ATOM 0 HD12 LEU A 33 -0.058 -4.311 4.042 1.00 0.83 H new ATOM 0 HD13 LEU A 33 1.311 -4.166 2.913 1.00 0.83 H new ATOM 0 HD21 LEU A 33 -0.361 -3.112 0.584 1.00 0.74 H new ATOM 0 HD22 LEU A 33 0.958 -4.304 0.506 1.00 0.74 H new ATOM 0 HD23 LEU A 33 -0.641 -4.701 -0.167 1.00 0.74 H new ATOM 505 N PRO A 34 -1.829 -8.812 3.245 1.00 0.43 N ATOM 506 CA PRO A 34 -2.760 -9.626 4.007 1.00 0.51 C ATOM 507 C PRO A 34 -3.473 -8.799 5.070 1.00 0.63 C ATOM 508 O PRO A 34 -4.574 -9.149 5.481 1.00 0.83 O ATOM 509 CB PRO A 34 -1.935 -10.766 4.604 1.00 0.57 C ATOM 510 CG PRO A 34 -0.522 -10.194 4.688 1.00 0.54 C ATOM 511 CD PRO A 34 -0.453 -9.179 3.549 1.00 0.45 C ATOM 0 HA PRO A 34 -3.556 -10.025 3.378 1.00 0.51 H new ATOM 0 HB2 PRO A 34 -2.307 -11.056 5.586 1.00 0.57 H new ATOM 0 HB3 PRO A 34 -1.969 -11.655 3.975 1.00 0.57 H new ATOM 0 HG2 PRO A 34 -0.342 -9.721 5.653 1.00 0.54 H new ATOM 0 HG3 PRO A 34 0.230 -10.974 4.571 1.00 0.54 H new ATOM 0 HD2 PRO A 34 0.127 -8.304 3.842 1.00 0.45 H new ATOM 0 HD3 PRO A 34 0.037 -9.608 2.675 1.00 0.45 H new ATOM 519 N CYS A 35 -2.906 -7.651 5.456 1.00 0.61 N ATOM 520 CA CYS A 35 -3.527 -6.727 6.389 1.00 0.82 C ATOM 521 C CYS A 35 -4.574 -5.840 5.689 1.00 0.94 C ATOM 522 O CYS A 35 -4.812 -4.709 6.118 1.00 1.34 O ATOM 523 CB CYS A 35 -2.385 -5.917 7.008 1.00 0.99 C ATOM 524 SG CYS A 35 -1.748 -4.626 5.916 1.00 2.19 S ATOM 0 H CYS A 35 -1.994 -7.341 5.121 1.00 0.61 H new ATOM 0 HA CYS A 35 -4.081 -7.253 7.166 1.00 0.82 H new ATOM 0 HB2 CYS A 35 -2.734 -5.460 7.934 1.00 0.99 H new ATOM 0 HB3 CYS A 35 -1.572 -6.593 7.273 1.00 0.99 H new ATOM 0 HG CYS A 35 -1.325 -3.625 6.629 1.00 2.19 H new ATOM 529 N MET A 36 -5.195 -6.361 4.622 1.00 0.83 N ATOM 530 CA MET A 36 -6.279 -5.787 3.838 1.00 0.94 C ATOM 531 C MET A 36 -6.054 -4.320 3.486 1.00 0.95 C ATOM 532 O MET A 36 -6.983 -3.517 3.461 1.00 1.27 O ATOM 533 CB MET A 36 -7.643 -6.083 4.479 1.00 1.09 C ATOM 534 CG MET A 36 -7.811 -5.482 5.876 1.00 2.60 C ATOM 535 SD MET A 36 -9.456 -5.754 6.584 1.00 3.71 S ATOM 536 CE MET A 36 -9.222 -4.908 8.167 1.00 5.43 C ATOM 0 H MET A 36 -4.922 -7.275 4.260 1.00 0.83 H new ATOM 0 HA MET A 36 -6.284 -6.287 2.870 1.00 0.94 H new ATOM 0 HB2 MET A 36 -8.430 -5.698 3.831 1.00 1.09 H new ATOM 0 HB3 MET A 36 -7.779 -7.163 4.539 1.00 1.09 H new ATOM 0 HG2 MET A 36 -7.062 -5.912 6.541 1.00 2.60 H new ATOM 0 HG3 MET A 36 -7.617 -4.410 5.828 1.00 2.60 H new ATOM 0 HE1 MET A 36 -10.140 -4.969 8.751 1.00 5.43 H new ATOM 0 HE2 MET A 36 -8.410 -5.383 8.717 1.00 5.43 H new ATOM 0 HE3 MET A 36 -8.975 -3.862 7.987 1.00 5.43 H new ATOM 546 N HIS A 37 -4.819 -3.993 3.111 1.00 0.80 N ATOM 547 CA HIS A 37 -4.439 -2.660 2.677 1.00 0.72 C ATOM 548 C HIS A 37 -4.200 -2.708 1.167 1.00 0.65 C ATOM 549 O HIS A 37 -3.738 -3.728 0.652 1.00 0.95 O ATOM 550 CB HIS A 37 -3.179 -2.223 3.451 1.00 0.76 C ATOM 551 CG HIS A 37 -3.430 -1.198 4.534 1.00 1.06 C ATOM 552 ND1 HIS A 37 -3.072 -1.271 5.892 1.00 1.22 N ATOM 553 CD2 HIS A 37 -3.978 0.032 4.290 1.00 1.43 C ATOM 554 CE1 HIS A 37 -3.415 -0.085 6.414 1.00 1.68 C ATOM 555 NE2 HIS A 37 -3.954 0.720 5.482 1.00 1.83 N ATOM 0 H HIS A 37 -4.047 -4.659 3.102 1.00 0.80 H new ATOM 0 HA HIS A 37 -5.221 -1.929 2.882 1.00 0.72 H new ATOM 0 HB2 HIS A 37 -2.722 -3.104 3.902 1.00 0.76 H new ATOM 0 HB3 HIS A 37 -2.457 -1.815 2.743 1.00 0.76 H new ATOM 0 HD1 HIS A 37 -2.643 -2.059 6.377 1.00 1.22 H new ATOM 0 HD2 HIS A 37 -4.356 0.393 3.345 1.00 1.43 H new ATOM 0 HE1 HIS A 37 -3.276 0.189 7.450 1.00 1.68 H new ATOM 563 N LEU A 38 -4.514 -1.618 0.457 1.00 0.73 N ATOM 564 CA LEU A 38 -4.197 -1.448 -0.957 1.00 0.75 C ATOM 565 C LEU A 38 -3.132 -0.359 -1.024 1.00 0.72 C ATOM 566 O LEU A 38 -3.352 0.730 -0.504 1.00 0.93 O ATOM 567 CB LEU A 38 -5.475 -1.156 -1.785 1.00 0.96 C ATOM 568 CG LEU A 38 -5.558 0.197 -2.530 1.00 1.76 C ATOM 569 CD1 LEU A 38 -6.451 0.036 -3.760 1.00 2.08 C ATOM 570 CD2 LEU A 38 -6.166 1.306 -1.659 1.00 3.08 C ATOM 0 H LEU A 38 -5.003 -0.819 0.860 1.00 0.73 H new ATOM 0 HA LEU A 38 -3.800 -2.357 -1.409 1.00 0.75 H new ATOM 0 HB2 LEU A 38 -5.586 -1.951 -2.522 1.00 0.96 H new ATOM 0 HB3 LEU A 38 -6.331 -1.222 -1.114 1.00 0.96 H new ATOM 0 HG LEU A 38 -4.540 0.480 -2.798 1.00 1.76 H new ATOM 0 HD11 LEU A 38 -6.514 0.986 -4.291 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -6.028 -0.721 -4.420 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -7.449 -0.272 -3.447 1.00 2.08 H new ATOM 0 HD21 LEU A 38 -6.203 2.236 -2.227 1.00 3.08 H new ATOM 0 HD22 LEU A 38 -7.176 1.023 -1.361 1.00 3.08 H new ATOM 0 HD23 LEU A 38 -5.552 1.448 -0.770 1.00 3.08 H new ATOM 582 N PHE A 39 -1.970 -0.657 -1.605 1.00 0.58 N ATOM 583 CA PHE A 39 -0.838 0.263 -1.712 1.00 0.53 C ATOM 584 C PHE A 39 -0.454 0.374 -3.197 1.00 0.60 C ATOM 585 O PHE A 39 -0.886 -0.447 -4.002 1.00 0.92 O ATOM 586 CB PHE A 39 0.347 -0.259 -0.867 1.00 0.55 C ATOM 587 CG PHE A 39 0.252 -0.217 0.660 1.00 0.72 C ATOM 588 CD1 PHE A 39 -0.796 0.407 1.359 1.00 1.54 C ATOM 589 CD2 PHE A 39 1.282 -0.812 1.408 1.00 2.05 C ATOM 590 CE1 PHE A 39 -0.848 0.354 2.763 1.00 1.58 C ATOM 591 CE2 PHE A 39 1.267 -0.820 2.813 1.00 2.34 C ATOM 592 CZ PHE A 39 0.178 -0.258 3.496 1.00 1.37 C ATOM 0 H PHE A 39 -1.785 -1.568 -2.025 1.00 0.58 H new ATOM 0 HA PHE A 39 -1.105 1.249 -1.331 1.00 0.53 H new ATOM 0 HB2 PHE A 39 0.525 -1.295 -1.156 1.00 0.55 H new ATOM 0 HB3 PHE A 39 1.231 0.309 -1.156 1.00 0.55 H new ATOM 0 HD1 PHE A 39 -1.567 0.931 0.813 1.00 1.54 H new ATOM 0 HD2 PHE A 39 2.108 -1.276 0.889 1.00 2.05 H new ATOM 0 HE1 PHE A 39 -1.688 0.790 3.283 1.00 1.58 H new ATOM 0 HE2 PHE A 39 2.088 -1.256 3.363 1.00 2.34 H new ATOM 0 HZ PHE A 39 0.131 -0.296 4.574 1.00 1.37 H new ATOM 602 N HIS A 40 0.364 1.358 -3.589 1.00 0.51 N ATOM 603 CA HIS A 40 0.983 1.318 -4.921 1.00 0.54 C ATOM 604 C HIS A 40 1.981 0.170 -4.977 1.00 0.55 C ATOM 605 O HIS A 40 2.450 -0.286 -3.936 1.00 0.70 O ATOM 606 CB HIS A 40 1.791 2.581 -5.222 1.00 0.51 C ATOM 607 CG HIS A 40 1.028 3.771 -5.707 1.00 0.53 C ATOM 608 ND1 HIS A 40 1.019 5.003 -5.068 1.00 0.60 N ATOM 609 CD2 HIS A 40 0.414 3.877 -6.919 1.00 0.59 C ATOM 610 CE1 HIS A 40 0.382 5.841 -5.901 1.00 0.71 C ATOM 611 NE2 HIS A 40 -0.003 5.186 -7.013 1.00 0.70 N ATOM 0 H HIS A 40 0.608 2.170 -3.022 1.00 0.51 H new ATOM 0 HA HIS A 40 0.169 1.212 -5.639 1.00 0.54 H new ATOM 0 HB2 HIS A 40 2.325 2.866 -4.316 1.00 0.51 H new ATOM 0 HB3 HIS A 40 2.544 2.332 -5.970 1.00 0.51 H new ATOM 0 HD1 HIS A 40 1.415 5.226 -4.155 1.00 0.60 H new ATOM 0 HD2 HIS A 40 0.282 3.096 -7.653 1.00 0.59 H new ATOM 0 HE1 HIS A 40 0.204 6.889 -5.708 1.00 0.71 H new ATOM 619 N GLN A 41 2.391 -0.216 -6.187 1.00 0.51 N ATOM 620 CA GLN A 41 3.475 -1.160 -6.387 1.00 0.51 C ATOM 621 C GLN A 41 4.801 -0.548 -5.936 1.00 0.59 C ATOM 622 O GLN A 41 5.420 -1.074 -5.016 1.00 1.20 O ATOM 623 CB GLN A 41 3.491 -1.590 -7.853 1.00 0.57 C ATOM 624 CG GLN A 41 4.472 -2.727 -8.142 1.00 1.05 C ATOM 625 CD GLN A 41 4.262 -3.274 -9.552 1.00 1.33 C ATOM 626 OE1 GLN A 41 5.167 -3.276 -10.375 1.00 2.07 O ATOM 627 NE2 GLN A 41 3.064 -3.758 -9.859 1.00 1.25 N ATOM 0 H GLN A 41 1.974 0.123 -7.054 1.00 0.51 H new ATOM 0 HA GLN A 41 3.323 -2.051 -5.777 1.00 0.51 H new ATOM 0 HB2 GLN A 41 2.488 -1.903 -8.143 1.00 0.57 H new ATOM 0 HB3 GLN A 41 3.749 -0.731 -8.473 1.00 0.57 H new ATOM 0 HG2 GLN A 41 5.495 -2.367 -8.034 1.00 1.05 H new ATOM 0 HG3 GLN A 41 4.336 -3.526 -7.413 1.00 1.05 H new ATOM 0 HE21 GLN A 41 2.318 -3.751 -9.164 1.00 1.25 H new ATOM 0 HE22 GLN A 41 2.890 -4.137 -10.790 1.00 1.25 H new ATOM 636 N VAL A 42 5.253 0.553 -6.547 1.00 0.56 N ATOM 637 CA VAL A 42 6.549 1.130 -6.176 1.00 0.51 C ATOM 638 C VAL A 42 6.582 1.474 -4.684 1.00 0.49 C ATOM 639 O VAL A 42 7.544 1.126 -4.000 1.00 0.46 O ATOM 640 CB VAL A 42 6.907 2.334 -7.065 1.00 0.53 C ATOM 641 CG1 VAL A 42 8.270 2.924 -6.676 1.00 0.74 C ATOM 642 CG2 VAL A 42 6.985 1.903 -8.534 1.00 0.68 C ATOM 0 H VAL A 42 4.754 1.052 -7.283 1.00 0.56 H new ATOM 0 HA VAL A 42 7.319 0.379 -6.352 1.00 0.51 H new ATOM 0 HB VAL A 42 6.128 3.083 -6.925 1.00 0.53 H new ATOM 0 HG11 VAL A 42 8.496 3.773 -7.321 1.00 0.74 H new ATOM 0 HG12 VAL A 42 8.240 3.255 -5.638 1.00 0.74 H new ATOM 0 HG13 VAL A 42 9.042 2.164 -6.793 1.00 0.74 H new ATOM 0 HG21 VAL A 42 7.239 2.764 -9.153 1.00 0.68 H new ATOM 0 HG22 VAL A 42 7.751 1.136 -8.648 1.00 0.68 H new ATOM 0 HG23 VAL A 42 6.021 1.503 -8.847 1.00 0.68 H new ATOM 652 N CYS A 43 5.535 2.126 -4.160 1.00 0.52 N ATOM 653 CA CYS A 43 5.505 2.483 -2.748 1.00 0.51 C ATOM 654 C CYS A 43 5.669 1.220 -1.897 1.00 0.49 C ATOM 655 O CYS A 43 6.476 1.214 -0.971 1.00 0.48 O ATOM 656 CB CYS A 43 4.187 3.176 -2.377 1.00 0.50 C ATOM 657 SG CYS A 43 3.926 4.699 -3.337 1.00 0.55 S ATOM 0 H CYS A 43 4.711 2.411 -4.690 1.00 0.52 H new ATOM 0 HA CYS A 43 6.324 3.176 -2.555 1.00 0.51 H new ATOM 0 HB2 CYS A 43 3.356 2.492 -2.549 1.00 0.50 H new ATOM 0 HB3 CYS A 43 4.189 3.414 -1.313 1.00 0.50 H new ATOM 0 HG CYS A 43 2.906 5.345 -2.856 1.00 0.55 H new ATOM 662 N VAL A 44 4.894 0.157 -2.155 1.00 0.49 N ATOM 663 CA VAL A 44 4.980 -1.013 -1.305 1.00 0.45 C ATOM 664 C VAL A 44 6.293 -1.759 -1.481 1.00 0.36 C ATOM 665 O VAL A 44 6.659 -2.533 -0.607 1.00 0.35 O ATOM 666 CB VAL A 44 3.772 -1.933 -1.457 1.00 0.58 C ATOM 667 CG1 VAL A 44 3.848 -2.837 -2.672 1.00 0.59 C ATOM 668 CG2 VAL A 44 3.661 -2.864 -0.256 1.00 0.74 C ATOM 0 H VAL A 44 4.225 0.093 -2.922 1.00 0.49 H new ATOM 0 HA VAL A 44 4.964 -0.647 -0.278 1.00 0.45 H new ATOM 0 HB VAL A 44 2.918 -1.262 -1.553 1.00 0.58 H new ATOM 0 HG11 VAL A 44 2.957 -3.463 -2.716 1.00 0.59 H new ATOM 0 HG12 VAL A 44 3.910 -2.229 -3.575 1.00 0.59 H new ATOM 0 HG13 VAL A 44 4.732 -3.470 -2.600 1.00 0.59 H new ATOM 0 HG21 VAL A 44 2.795 -3.514 -0.379 1.00 0.74 H new ATOM 0 HG22 VAL A 44 4.563 -3.471 -0.182 1.00 0.74 H new ATOM 0 HG23 VAL A 44 3.546 -2.273 0.653 1.00 0.74 H new ATOM 678 N ASP A 45 6.998 -1.570 -2.594 1.00 0.38 N ATOM 679 CA ASP A 45 8.285 -2.214 -2.790 1.00 0.42 C ATOM 680 C ASP A 45 9.235 -1.742 -1.693 1.00 0.39 C ATOM 681 O ASP A 45 9.716 -2.531 -0.879 1.00 0.46 O ATOM 682 CB ASP A 45 8.823 -1.920 -4.194 1.00 0.51 C ATOM 683 CG ASP A 45 9.975 -2.864 -4.521 1.00 1.03 C ATOM 684 OD1 ASP A 45 11.060 -2.351 -4.868 1.00 1.91 O ATOM 685 OD2 ASP A 45 9.740 -4.089 -4.419 1.00 2.16 O ATOM 0 H ASP A 45 6.698 -0.978 -3.368 1.00 0.38 H new ATOM 0 HA ASP A 45 8.185 -3.297 -2.718 1.00 0.42 H new ATOM 0 HB2 ASP A 45 8.027 -2.037 -4.929 1.00 0.51 H new ATOM 0 HB3 ASP A 45 9.162 -0.886 -4.253 1.00 0.51 H new ATOM 690 N GLN A 46 9.441 -0.425 -1.599 1.00 0.35 N ATOM 691 CA GLN A 46 10.258 0.106 -0.517 1.00 0.40 C ATOM 692 C GLN A 46 9.588 -0.037 0.842 1.00 0.39 C ATOM 693 O GLN A 46 10.282 -0.098 1.850 1.00 0.45 O ATOM 694 CB GLN A 46 10.668 1.560 -0.765 1.00 0.46 C ATOM 695 CG GLN A 46 11.633 1.669 -1.951 1.00 0.56 C ATOM 696 CD GLN A 46 12.637 2.799 -1.739 1.00 1.28 C ATOM 697 OE1 GLN A 46 12.477 3.900 -2.248 1.00 2.59 O ATOM 698 NE2 GLN A 46 13.689 2.547 -0.969 1.00 2.18 N ATOM 0 H GLN A 46 9.063 0.272 -2.241 1.00 0.35 H new ATOM 0 HA GLN A 46 11.164 -0.500 -0.502 1.00 0.40 H new ATOM 0 HB2 GLN A 46 9.781 2.163 -0.958 1.00 0.46 H new ATOM 0 HB3 GLN A 46 11.140 1.965 0.130 1.00 0.46 H new ATOM 0 HG2 GLN A 46 12.164 0.726 -2.080 1.00 0.56 H new ATOM 0 HG3 GLN A 46 11.070 1.846 -2.867 1.00 0.56 H new ATOM 0 HE21 GLN A 46 13.807 1.623 -0.553 1.00 2.18 H new ATOM 0 HE22 GLN A 46 14.379 3.277 -0.794 1.00 2.18 H new ATOM 707 N ALA A 47 8.263 -0.111 0.916 1.00 0.37 N ATOM 708 CA ALA A 47 7.620 -0.348 2.195 1.00 0.38 C ATOM 709 C ALA A 47 8.092 -1.678 2.766 1.00 0.33 C ATOM 710 O ALA A 47 8.661 -1.713 3.847 1.00 0.39 O ATOM 711 CB ALA A 47 6.110 -0.335 2.022 1.00 0.42 C ATOM 0 H ALA A 47 7.629 -0.012 0.123 1.00 0.37 H new ATOM 0 HA ALA A 47 7.891 0.443 2.894 1.00 0.38 H new ATOM 0 HB1 ALA A 47 5.632 -0.513 2.985 1.00 0.42 H new ATOM 0 HB2 ALA A 47 5.796 0.635 1.635 1.00 0.42 H new ATOM 0 HB3 ALA A 47 5.817 -1.117 1.321 1.00 0.42 H new ATOM 717 N LEU A 48 7.869 -2.766 2.028 1.00 0.29 N ATOM 718 CA LEU A 48 8.196 -4.124 2.406 1.00 0.32 C ATOM 719 C LEU A 48 9.668 -4.241 2.793 1.00 0.41 C ATOM 720 O LEU A 48 9.972 -4.783 3.852 1.00 0.48 O ATOM 721 CB LEU A 48 7.780 -5.055 1.255 1.00 0.39 C ATOM 722 CG LEU A 48 7.851 -6.560 1.567 1.00 0.52 C ATOM 723 CD1 LEU A 48 6.980 -7.311 0.553 1.00 0.88 C ATOM 724 CD2 LEU A 48 9.272 -7.124 1.479 1.00 0.84 C ATOM 0 H LEU A 48 7.434 -2.712 1.107 1.00 0.29 H new ATOM 0 HA LEU A 48 7.645 -4.426 3.297 1.00 0.32 H new ATOM 0 HB2 LEU A 48 6.759 -4.809 0.962 1.00 0.39 H new ATOM 0 HB3 LEU A 48 8.417 -4.849 0.395 1.00 0.39 H new ATOM 0 HG LEU A 48 7.502 -6.693 2.591 1.00 0.52 H new ATOM 0 HD11 LEU A 48 7.020 -8.380 0.761 1.00 0.88 H new ATOM 0 HD12 LEU A 48 5.950 -6.964 0.631 1.00 0.88 H new ATOM 0 HD13 LEU A 48 7.351 -7.123 -0.455 1.00 0.88 H new ATOM 0 HD21 LEU A 48 9.256 -8.189 1.710 1.00 0.84 H new ATOM 0 HD22 LEU A 48 9.660 -6.977 0.471 1.00 0.84 H new ATOM 0 HD23 LEU A 48 9.913 -6.608 2.194 1.00 0.84 H new ATOM 736 N ILE A 49 10.595 -3.744 1.969 1.00 0.46 N ATOM 737 CA ILE A 49 12.008 -3.844 2.328 1.00 0.60 C ATOM 738 C ILE A 49 12.315 -3.051 3.603 1.00 0.65 C ATOM 739 O ILE A 49 13.147 -3.480 4.398 1.00 0.78 O ATOM 740 CB ILE A 49 12.930 -3.470 1.153 1.00 0.67 C ATOM 741 CG1 ILE A 49 12.945 -1.969 0.845 1.00 0.62 C ATOM 742 CG2 ILE A 49 12.582 -4.300 -0.091 1.00 0.68 C ATOM 743 CD1 ILE A 49 14.143 -1.261 1.482 1.00 0.75 C ATOM 0 H ILE A 49 10.401 -3.284 1.079 1.00 0.46 H new ATOM 0 HA ILE A 49 12.220 -4.890 2.551 1.00 0.60 H new ATOM 0 HB ILE A 49 13.946 -3.714 1.462 1.00 0.67 H new ATOM 0 HG12 ILE A 49 12.970 -1.821 -0.235 1.00 0.62 H new ATOM 0 HG13 ILE A 49 12.022 -1.516 1.208 1.00 0.62 H new ATOM 0 HG21 ILE A 49 13.244 -4.022 -0.911 1.00 0.68 H new ATOM 0 HG22 ILE A 49 12.706 -5.360 0.132 1.00 0.68 H new ATOM 0 HG23 ILE A 49 11.548 -4.109 -0.379 1.00 0.68 H new ATOM 0 HD11 ILE A 49 14.111 -0.200 1.236 1.00 0.75 H new ATOM 0 HD12 ILE A 49 14.105 -1.384 2.564 1.00 0.75 H new ATOM 0 HD13 ILE A 49 15.067 -1.694 1.100 1.00 0.75 H new ATOM 755 N THR A 50 11.677 -1.896 3.815 1.00 0.59 N ATOM 756 CA THR A 50 11.913 -1.086 5.000 1.00 0.68 C ATOM 757 C THR A 50 11.420 -1.822 6.247 1.00 0.76 C ATOM 758 O THR A 50 12.114 -1.871 7.260 1.00 0.91 O ATOM 759 CB THR A 50 11.251 0.290 4.823 1.00 0.67 C ATOM 760 OG1 THR A 50 12.051 1.068 3.955 1.00 0.66 O ATOM 761 CG2 THR A 50 11.086 1.073 6.127 1.00 0.84 C ATOM 0 H THR A 50 10.989 -1.504 3.172 1.00 0.59 H new ATOM 0 HA THR A 50 12.982 -0.919 5.134 1.00 0.68 H new ATOM 0 HB THR A 50 10.253 0.103 4.426 1.00 0.67 H new ATOM 0 HG1 THR A 50 11.748 0.944 3.031 1.00 0.66 H new ATOM 0 HG21 THR A 50 10.612 2.032 5.918 1.00 0.84 H new ATOM 0 HG22 THR A 50 10.464 0.503 6.817 1.00 0.84 H new ATOM 0 HG23 THR A 50 12.065 1.242 6.576 1.00 0.84 H new ATOM 769 N ASN A 51 10.205 -2.365 6.194 1.00 0.69 N ATOM 770 CA ASN A 51 9.618 -3.254 7.178 1.00 0.73 C ATOM 771 C ASN A 51 8.475 -3.969 6.471 1.00 0.65 C ATOM 772 O ASN A 51 7.466 -3.352 6.149 1.00 0.71 O ATOM 773 CB ASN A 51 9.076 -2.484 8.398 1.00 0.85 C ATOM 774 CG ASN A 51 9.809 -2.877 9.673 1.00 1.42 C ATOM 775 OD1 ASN A 51 9.299 -3.633 10.494 1.00 2.23 O ATOM 776 ND2 ASN A 51 11.024 -2.389 9.855 1.00 2.21 N ATOM 0 H ASN A 51 9.572 -2.181 5.415 1.00 0.69 H new ATOM 0 HA ASN A 51 10.370 -3.947 7.556 1.00 0.73 H new ATOM 0 HB2 ASN A 51 9.183 -1.412 8.231 1.00 0.85 H new ATOM 0 HB3 ASN A 51 8.011 -2.684 8.513 1.00 0.85 H new ATOM 0 HD21 ASN A 51 11.555 -2.640 10.689 1.00 2.21 H new ATOM 0 HD22 ASN A 51 11.431 -1.762 9.161 1.00 2.21 H new ATOM 783 N LYS A 52 8.625 -5.270 6.237 1.00 0.72 N ATOM 784 CA LYS A 52 7.578 -6.105 5.667 1.00 0.75 C ATOM 785 C LYS A 52 6.272 -5.916 6.413 1.00 0.94 C ATOM 786 O LYS A 52 5.259 -5.583 5.810 1.00 2.57 O ATOM 787 CB LYS A 52 8.067 -7.546 5.531 1.00 0.77 C ATOM 788 CG LYS A 52 8.723 -8.148 6.779 1.00 1.58 C ATOM 789 CD LYS A 52 9.545 -9.352 6.309 1.00 1.57 C ATOM 790 CE LYS A 52 9.510 -10.553 7.257 1.00 2.84 C ATOM 791 NZ LYS A 52 9.889 -10.209 8.636 1.00 3.84 N ATOM 0 H LYS A 52 9.486 -5.777 6.441 1.00 0.72 H new ATOM 0 HA LYS A 52 7.350 -5.791 4.648 1.00 0.75 H new ATOM 0 HB2 LYS A 52 7.220 -8.172 5.251 1.00 0.77 H new ATOM 0 HB3 LYS A 52 8.782 -7.591 4.710 1.00 0.77 H new ATOM 0 HG2 LYS A 52 9.360 -7.414 7.273 1.00 1.58 H new ATOM 0 HG3 LYS A 52 7.968 -8.454 7.503 1.00 1.58 H new ATOM 0 HD2 LYS A 52 9.180 -9.666 5.331 1.00 1.57 H new ATOM 0 HD3 LYS A 52 10.581 -9.039 6.177 1.00 1.57 H new ATOM 0 HE2 LYS A 52 8.507 -10.979 7.258 1.00 2.84 H new ATOM 0 HE3 LYS A 52 10.184 -11.324 6.883 1.00 2.84 H new ATOM 0 HZ1 LYS A 52 10.481 -10.967 9.033 1.00 3.84 H new ATOM 0 HZ2 LYS A 52 10.423 -9.317 8.637 1.00 3.84 H new ATOM 0 HZ3 LYS A 52 9.032 -10.100 9.215 1.00 3.84 H new ATOM 805 N LYS A 53 6.273 -6.108 7.723 1.00 1.05 N ATOM 806 CA LYS A 53 5.053 -5.921 8.479 1.00 1.04 C ATOM 807 C LYS A 53 4.492 -4.514 8.296 1.00 1.11 C ATOM 808 O LYS A 53 5.232 -3.537 8.382 1.00 1.53 O ATOM 809 CB LYS A 53 5.297 -6.319 9.936 1.00 1.62 C ATOM 810 CG LYS A 53 6.288 -5.402 10.662 1.00 1.82 C ATOM 811 CD LYS A 53 6.994 -6.212 11.752 1.00 2.88 C ATOM 812 CE LYS A 53 7.752 -5.281 12.698 1.00 3.34 C ATOM 813 NZ LYS A 53 8.432 -6.040 13.767 1.00 4.35 N ATOM 0 H LYS A 53 7.087 -6.387 8.271 1.00 1.05 H new ATOM 0 HA LYS A 53 4.271 -6.577 8.097 1.00 1.04 H new ATOM 0 HB2 LYS A 53 4.347 -6.310 10.471 1.00 1.62 H new ATOM 0 HB3 LYS A 53 5.671 -7.342 9.967 1.00 1.62 H new ATOM 0 HG2 LYS A 53 7.016 -4.999 9.958 1.00 1.82 H new ATOM 0 HG3 LYS A 53 5.765 -4.552 11.101 1.00 1.82 H new ATOM 0 HD2 LYS A 53 6.263 -6.795 12.313 1.00 2.88 H new ATOM 0 HD3 LYS A 53 7.686 -6.921 11.297 1.00 2.88 H new ATOM 0 HE2 LYS A 53 8.486 -4.705 12.134 1.00 3.34 H new ATOM 0 HE3 LYS A 53 7.059 -4.566 13.141 1.00 3.34 H new ATOM 0 HZ1 LYS A 53 8.938 -5.381 14.393 1.00 4.35 H new ATOM 0 HZ2 LYS A 53 7.727 -6.570 14.319 1.00 4.35 H new ATOM 0 HZ3 LYS A 53 9.111 -6.704 13.343 1.00 4.35 H new ATOM 827 N CYS A 54 3.189 -4.445 8.002 1.00 0.89 N ATOM 828 CA CYS A 54 2.526 -3.232 7.527 1.00 0.99 C ATOM 829 C CYS A 54 2.689 -2.139 8.603 1.00 1.09 C ATOM 830 O CYS A 54 2.819 -2.467 9.779 1.00 1.27 O ATOM 831 CB CYS A 54 1.061 -3.620 7.222 1.00 0.90 C ATOM 832 SG CYS A 54 -0.166 -2.292 7.446 1.00 1.27 S ATOM 0 H CYS A 54 2.559 -5.243 8.089 1.00 0.89 H new ATOM 0 HA CYS A 54 2.956 -2.820 6.614 1.00 0.99 H new ATOM 0 HB2 CYS A 54 1.004 -3.973 6.192 1.00 0.90 H new ATOM 0 HB3 CYS A 54 0.785 -4.458 7.862 1.00 0.90 H new ATOM 837 N PRO A 55 2.709 -0.842 8.257 1.00 1.12 N ATOM 838 CA PRO A 55 3.025 0.209 9.217 1.00 1.34 C ATOM 839 C PRO A 55 1.971 0.330 10.323 1.00 1.78 C ATOM 840 O PRO A 55 2.252 0.065 11.492 1.00 2.93 O ATOM 841 CB PRO A 55 3.184 1.490 8.389 1.00 1.43 C ATOM 842 CG PRO A 55 2.424 1.200 7.094 1.00 1.41 C ATOM 843 CD PRO A 55 2.613 -0.304 6.913 1.00 1.13 C ATOM 0 HA PRO A 55 3.942 -0.013 9.763 1.00 1.34 H new ATOM 0 HB2 PRO A 55 2.769 2.354 8.909 1.00 1.43 H new ATOM 0 HB3 PRO A 55 4.234 1.710 8.194 1.00 1.43 H new ATOM 0 HG2 PRO A 55 1.370 1.467 7.176 1.00 1.41 H new ATOM 0 HG3 PRO A 55 2.831 1.762 6.253 1.00 1.41 H new ATOM 0 HD2 PRO A 55 1.775 -0.744 6.372 1.00 1.13 H new ATOM 0 HD3 PRO A 55 3.513 -0.521 6.337 1.00 1.13 H new ATOM 851 N ILE A 56 0.744 0.733 9.988 1.00 1.37 N ATOM 852 CA ILE A 56 -0.293 1.047 10.975 1.00 1.61 C ATOM 853 C ILE A 56 -1.066 -0.224 11.370 1.00 1.57 C ATOM 854 O ILE A 56 -2.272 -0.195 11.605 1.00 2.13 O ATOM 855 CB ILE A 56 -1.162 2.202 10.421 1.00 1.87 C ATOM 856 CG1 ILE A 56 -2.078 2.869 11.468 1.00 2.95 C ATOM 857 CG2 ILE A 56 -1.998 1.780 9.203 1.00 2.08 C ATOM 858 CD1 ILE A 56 -1.297 3.669 12.513 1.00 4.31 C ATOM 0 H ILE A 56 0.440 0.851 9.022 1.00 1.37 H new ATOM 0 HA ILE A 56 0.137 1.402 11.911 1.00 1.61 H new ATOM 0 HB ILE A 56 -0.431 2.949 10.112 1.00 1.87 H new ATOM 0 HG12 ILE A 56 -2.781 3.530 10.961 1.00 2.95 H new ATOM 0 HG13 ILE A 56 -2.668 2.102 11.970 1.00 2.95 H new ATOM 0 HG21 ILE A 56 -2.588 2.628 8.855 1.00 2.08 H new ATOM 0 HG22 ILE A 56 -1.335 1.447 8.404 1.00 2.08 H new ATOM 0 HG23 ILE A 56 -2.665 0.965 9.484 1.00 2.08 H new ATOM 0 HD11 ILE A 56 -1.992 4.116 13.224 1.00 4.31 H new ATOM 0 HD12 ILE A 56 -0.613 3.006 13.043 1.00 4.31 H new ATOM 0 HD13 ILE A 56 -0.728 4.456 12.018 1.00 4.31 H new ATOM 870 N CYS A 57 -0.368 -1.358 11.451 1.00 1.57 N ATOM 871 CA CYS A 57 -0.972 -2.664 11.689 1.00 1.42 C ATOM 872 C CYS A 57 0.072 -3.624 12.294 1.00 1.51 C ATOM 873 O CYS A 57 -0.242 -4.409 13.183 1.00 2.31 O ATOM 874 CB CYS A 57 -1.597 -3.200 10.372 1.00 1.18 C ATOM 875 SG CYS A 57 -1.111 -2.318 8.837 1.00 1.92 S ATOM 0 H CYS A 57 0.647 -1.392 11.351 1.00 1.57 H new ATOM 0 HA CYS A 57 -1.780 -2.579 12.415 1.00 1.42 H new ATOM 0 HB2 CYS A 57 -1.327 -4.251 10.265 1.00 1.18 H new ATOM 0 HB3 CYS A 57 -2.682 -3.158 10.464 1.00 1.18 H new ATOM 880 N ARG A 58 1.321 -3.550 11.831 1.00 1.44 N ATOM 881 CA ARG A 58 2.497 -4.334 12.235 1.00 1.52 C ATOM 882 C ARG A 58 2.311 -5.848 12.154 1.00 1.40 C ATOM 883 O ARG A 58 3.112 -6.593 12.714 1.00 1.83 O ATOM 884 CB ARG A 58 3.037 -3.906 13.608 1.00 2.00 C ATOM 885 CG ARG A 58 3.450 -2.428 13.663 1.00 1.97 C ATOM 886 CD ARG A 58 2.376 -1.550 14.309 1.00 2.80 C ATOM 887 NE ARG A 58 2.162 -1.923 15.717 1.00 2.64 N ATOM 888 CZ ARG A 58 1.175 -1.468 16.496 1.00 3.88 C ATOM 889 NH1 ARG A 58 1.054 -1.912 17.748 1.00 4.61 N ATOM 890 NH2 ARG A 58 0.313 -0.571 16.019 1.00 5.04 N ATOM 0 H ARG A 58 1.560 -2.882 11.099 1.00 1.44 H new ATOM 0 HA ARG A 58 3.252 -4.097 11.486 1.00 1.52 H new ATOM 0 HB2 ARG A 58 2.275 -4.092 14.365 1.00 2.00 H new ATOM 0 HB3 ARG A 58 3.896 -4.526 13.862 1.00 2.00 H new ATOM 0 HG2 ARG A 58 4.380 -2.333 14.224 1.00 1.97 H new ATOM 0 HG3 ARG A 58 3.649 -2.071 12.653 1.00 1.97 H new ATOM 0 HD2 ARG A 58 2.673 -0.503 14.248 1.00 2.80 H new ATOM 0 HD3 ARG A 58 1.441 -1.649 13.757 1.00 2.80 H new ATOM 0 HE ARG A 58 2.820 -2.582 16.132 1.00 2.64 H new ATOM 0 HH11 ARG A 58 1.715 -2.599 18.112 1.00 4.61 H new ATOM 0 HH12 ARG A 58 0.301 -1.565 18.342 1.00 4.61 H new ATOM 0 HH21 ARG A 58 0.407 -0.233 15.061 1.00 5.04 H new ATOM 0 HH22 ARG A 58 -0.441 -0.223 16.612 1.00 5.04 H new ATOM 904 N VAL A 59 1.327 -6.321 11.398 1.00 1.06 N ATOM 905 CA VAL A 59 1.229 -7.705 11.001 1.00 1.03 C ATOM 906 C VAL A 59 2.168 -7.929 9.826 1.00 0.84 C ATOM 907 O VAL A 59 2.268 -7.070 8.950 1.00 0.72 O ATOM 908 CB VAL A 59 -0.225 -7.988 10.631 1.00 1.06 C ATOM 909 CG1 VAL A 59 -1.155 -7.710 11.819 1.00 2.37 C ATOM 910 CG2 VAL A 59 -0.725 -7.227 9.411 1.00 2.09 C ATOM 0 H VAL A 59 0.568 -5.739 11.043 1.00 1.06 H new ATOM 0 HA VAL A 59 1.518 -8.384 11.803 1.00 1.03 H new ATOM 0 HB VAL A 59 -0.247 -9.046 10.368 1.00 1.06 H new ATOM 0 HG11 VAL A 59 -2.185 -7.919 11.531 1.00 2.37 H new ATOM 0 HG12 VAL A 59 -0.876 -8.349 12.657 1.00 2.37 H new ATOM 0 HG13 VAL A 59 -1.066 -6.665 12.114 1.00 2.37 H new ATOM 0 HG21 VAL A 59 -1.766 -7.488 9.221 1.00 2.09 H new ATOM 0 HG22 VAL A 59 -0.647 -6.155 9.594 1.00 2.09 H new ATOM 0 HG23 VAL A 59 -0.120 -7.492 8.544 1.00 2.09 H new ATOM 920 N ASP A 60 2.887 -9.049 9.820 1.00 0.89 N ATOM 921 CA ASP A 60 3.822 -9.338 8.747 1.00 0.77 C ATOM 922 C ASP A 60 3.055 -9.660 7.461 1.00 0.72 C ATOM 923 O ASP A 60 1.951 -10.203 7.516 1.00 0.86 O ATOM 924 CB ASP A 60 4.812 -10.419 9.180 1.00 1.04 C ATOM 925 CG ASP A 60 6.138 -10.246 8.429 1.00 1.23 C ATOM 926 OD1 ASP A 60 6.085 -9.998 7.203 1.00 1.76 O ATOM 927 OD2 ASP A 60 7.200 -10.247 9.099 1.00 2.29 O ATOM 0 H ASP A 60 2.837 -9.765 10.544 1.00 0.89 H new ATOM 0 HA ASP A 60 4.429 -8.460 8.524 1.00 0.77 H new ATOM 0 HB2 ASP A 60 4.983 -10.358 10.255 1.00 1.04 H new ATOM 0 HB3 ASP A 60 4.396 -11.406 8.979 1.00 1.04 H new ATOM 932 N ILE A 61 3.610 -9.284 6.307 1.00 0.57 N ATOM 933 CA ILE A 61 3.001 -9.473 4.999 1.00 0.54 C ATOM 934 C ILE A 61 3.752 -10.490 4.151 1.00 0.62 C ATOM 935 O ILE A 61 3.225 -10.942 3.138 1.00 0.73 O ATOM 936 CB ILE A 61 2.901 -8.144 4.252 1.00 0.54 C ATOM 937 CG1 ILE A 61 4.281 -7.653 3.802 1.00 0.73 C ATOM 938 CG2 ILE A 61 2.185 -7.109 5.124 1.00 0.48 C ATOM 939 CD1 ILE A 61 4.170 -6.282 3.147 1.00 0.59 C ATOM 0 H ILE A 61 4.521 -8.827 6.261 1.00 0.57 H new ATOM 0 HA ILE A 61 1.999 -9.866 5.173 1.00 0.54 H new ATOM 0 HB ILE A 61 2.312 -8.294 3.347 1.00 0.54 H new ATOM 0 HG12 ILE A 61 4.952 -7.600 4.659 1.00 0.73 H new ATOM 0 HG13 ILE A 61 4.716 -8.364 3.100 1.00 0.73 H new ATOM 0 HG21 ILE A 61 2.117 -6.164 4.585 1.00 0.48 H new ATOM 0 HG22 ILE A 61 1.182 -7.464 5.361 1.00 0.48 H new ATOM 0 HG23 ILE A 61 2.745 -6.961 6.047 1.00 0.48 H new ATOM 0 HD11 ILE A 61 5.159 -5.948 2.833 1.00 0.59 H new ATOM 0 HD12 ILE A 61 3.516 -6.346 2.278 1.00 0.59 H new ATOM 0 HD13 ILE A 61 3.756 -5.570 3.861 1.00 0.59 H new ATOM 951 N GLU A 62 4.998 -10.794 4.518 1.00 0.65 N ATOM 952 CA GLU A 62 5.812 -11.773 3.820 1.00 0.75 C ATOM 953 C GLU A 62 5.037 -13.086 3.686 1.00 0.77 C ATOM 954 O GLU A 62 4.484 -13.594 4.662 1.00 1.45 O ATOM 955 CB GLU A 62 7.125 -11.970 4.582 1.00 0.82 C ATOM 956 CG GLU A 62 8.208 -12.578 3.686 1.00 1.08 C ATOM 957 CD GLU A 62 9.465 -12.886 4.500 1.00 1.39 C ATOM 958 OE1 GLU A 62 9.698 -14.078 4.791 1.00 2.33 O ATOM 959 OE2 GLU A 62 10.157 -11.909 4.867 1.00 2.32 O ATOM 0 H GLU A 62 5.468 -10.362 5.314 1.00 0.65 H new ATOM 0 HA GLU A 62 6.048 -11.421 2.816 1.00 0.75 H new ATOM 0 HB2 GLU A 62 7.469 -11.011 4.971 1.00 0.82 H new ATOM 0 HB3 GLU A 62 6.955 -12.620 5.441 1.00 0.82 H new ATOM 0 HG2 GLU A 62 7.835 -13.491 3.223 1.00 1.08 H new ATOM 0 HG3 GLU A 62 8.451 -11.887 2.879 1.00 1.08 H new