USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=12 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 35 CYS SG : rot 132:sc= -23.1! USER MOD Set 1.2: A 37 HIS : no HE2:sc= 0.161 K(o=-44,f=-48) USER MOD Set 1.3: A 54 CYS SG : rot 96:sc= -19.9! USER MOD Set 1.4: A 57 CYS SG : rot 130:sc= -0.683 USER MOD Set 2.1: A 17 CYS SG : rot -162:sc= -4.86! USER MOD Set 2.2: A 20 CYS SG : rot -42:sc= -7.4! USER MOD Set 2.3: A 40 HIS : no HD1:sc= 0.654 K(o=-12,f=-17) USER MOD Set 2.4: A 43 CYS SG : rot 134:sc= -0.772 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0.675 (180deg=0.639) USER MOD Single : A 18 THR OG1 : rot -46:sc= 0.0772 USER MOD Single : A 22 SER OG : rot 74:sc= 0.259 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.323 X(o=0.32,f=-0.0032) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 50 THR OG1 : rot 88:sc= 0.782 USER MOD Single : A 51 ASN : amide:sc= -2.54! C(o=-2.5!,f=-3.5!) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0.992 (180deg=0.991) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 200 N GLU A 15 -9.006 4.348 -2.164 1.00 1.43 N ATOM 201 CA GLU A 15 -7.673 3.827 -2.396 1.00 1.35 C ATOM 202 C GLU A 15 -6.625 4.941 -2.344 1.00 1.17 C ATOM 203 O GLU A 15 -6.538 5.816 -3.207 1.00 1.16 O ATOM 204 CB GLU A 15 -7.646 2.997 -3.685 1.00 1.42 C ATOM 205 CG GLU A 15 -8.188 3.681 -4.947 1.00 1.75 C ATOM 206 CD GLU A 15 -7.730 2.899 -6.182 1.00 2.20 C ATOM 207 OE1 GLU A 15 -7.904 1.659 -6.164 1.00 2.30 O ATOM 208 OE2 GLU A 15 -7.150 3.534 -7.089 1.00 3.31 O ATOM 0 HA GLU A 15 -7.402 3.146 -1.589 1.00 1.35 H new ATOM 0 HB2 GLU A 15 -6.616 2.695 -3.875 1.00 1.42 H new ATOM 0 HB3 GLU A 15 -8.220 2.086 -3.517 1.00 1.42 H new ATOM 0 HG2 GLU A 15 -9.277 3.724 -4.912 1.00 1.75 H new ATOM 0 HG3 GLU A 15 -7.830 4.709 -5.000 1.00 1.75 H new ATOM 215 N LYS A 16 -5.794 4.893 -1.302 1.00 1.23 N ATOM 216 CA LYS A 16 -4.651 5.776 -1.153 1.00 1.14 C ATOM 217 C LYS A 16 -3.408 4.949 -0.893 1.00 1.08 C ATOM 218 O LYS A 16 -3.374 4.124 0.022 1.00 1.33 O ATOM 219 CB LYS A 16 -4.841 6.757 0.009 1.00 1.53 C ATOM 220 CG LYS A 16 -5.905 7.820 -0.270 1.00 1.20 C ATOM 221 CD LYS A 16 -5.774 8.962 0.746 1.00 1.17 C ATOM 222 CE LYS A 16 -4.527 9.809 0.459 1.00 2.30 C ATOM 223 NZ LYS A 16 -3.626 9.914 1.625 1.00 3.91 N ATOM 0 H LYS A 16 -5.902 4.231 -0.533 1.00 1.23 H new ATOM 0 HA LYS A 16 -4.550 6.349 -2.075 1.00 1.14 H new ATOM 0 HB2 LYS A 16 -5.118 6.201 0.904 1.00 1.53 H new ATOM 0 HB3 LYS A 16 -3.891 7.249 0.220 1.00 1.53 H new ATOM 0 HG2 LYS A 16 -5.790 8.206 -1.283 1.00 1.20 H new ATOM 0 HG3 LYS A 16 -6.899 7.378 -0.208 1.00 1.20 H new ATOM 0 HD2 LYS A 16 -6.663 9.592 0.708 1.00 1.17 H new ATOM 0 HD3 LYS A 16 -5.716 8.552 1.754 1.00 1.17 H new ATOM 0 HE2 LYS A 16 -3.982 9.373 -0.378 1.00 2.30 H new ATOM 0 HE3 LYS A 16 -4.835 10.809 0.152 1.00 2.30 H new ATOM 0 HZ1 LYS A 16 -2.827 10.538 1.391 1.00 3.91 H new ATOM 0 HZ2 LYS A 16 -4.149 10.308 2.433 1.00 3.91 H new ATOM 0 HZ3 LYS A 16 -3.267 8.970 1.873 1.00 3.91 H new ATOM 237 N CYS A 17 -2.353 5.262 -1.638 1.00 0.88 N ATOM 238 CA CYS A 17 -0.996 4.928 -1.276 1.00 0.97 C ATOM 239 C CYS A 17 -0.736 5.658 0.038 1.00 1.01 C ATOM 240 O CYS A 17 -0.438 6.848 0.036 1.00 1.18 O ATOM 241 CB CYS A 17 -0.108 5.505 -2.386 1.00 0.85 C ATOM 242 SG CYS A 17 1.626 4.972 -2.293 1.00 1.06 S ATOM 0 H CYS A 17 -2.427 5.763 -2.523 1.00 0.88 H new ATOM 0 HA CYS A 17 -0.808 3.860 -1.165 1.00 0.97 H new ATOM 0 HB2 CYS A 17 -0.516 5.213 -3.353 1.00 0.85 H new ATOM 0 HB3 CYS A 17 -0.146 6.593 -2.340 1.00 0.85 H new ATOM 0 HG CYS A 17 2.364 5.770 -3.006 1.00 1.06 H new ATOM 247 N THR A 18 -0.854 4.987 1.183 1.00 0.86 N ATOM 248 CA THR A 18 -0.549 5.667 2.435 1.00 0.98 C ATOM 249 C THR A 18 0.949 5.955 2.558 1.00 0.93 C ATOM 250 O THR A 18 1.345 6.704 3.444 1.00 1.04 O ATOM 251 CB THR A 18 -1.082 4.896 3.639 1.00 1.04 C ATOM 252 OG1 THR A 18 -1.186 5.760 4.748 1.00 1.31 O ATOM 253 CG2 THR A 18 -0.168 3.735 4.007 1.00 0.87 C ATOM 0 H THR A 18 -1.146 4.014 1.269 1.00 0.86 H new ATOM 0 HA THR A 18 -1.064 6.628 2.423 1.00 0.98 H new ATOM 0 HB THR A 18 -2.061 4.498 3.372 1.00 1.04 H new ATOM 0 HG1 THR A 18 -0.367 6.292 4.826 1.00 1.31 H new ATOM 0 HG21 THR A 18 -0.578 3.208 4.869 1.00 0.87 H new ATOM 0 HG22 THR A 18 -0.094 3.049 3.163 1.00 0.87 H new ATOM 0 HG23 THR A 18 0.823 4.116 4.253 1.00 0.87 H new ATOM 261 N ILE A 19 1.777 5.341 1.708 1.00 0.81 N ATOM 262 CA ILE A 19 3.213 5.506 1.697 1.00 0.85 C ATOM 263 C ILE A 19 3.549 6.882 1.117 1.00 0.90 C ATOM 264 O ILE A 19 4.193 7.683 1.787 1.00 1.00 O ATOM 265 CB ILE A 19 3.799 4.336 0.899 1.00 0.75 C ATOM 266 CG1 ILE A 19 3.598 3.021 1.675 1.00 0.75 C ATOM 267 CG2 ILE A 19 5.284 4.533 0.614 1.00 0.84 C ATOM 268 CD1 ILE A 19 3.271 1.891 0.706 1.00 0.73 C ATOM 0 H ILE A 19 1.445 4.697 0.990 1.00 0.81 H new ATOM 0 HA ILE A 19 3.651 5.482 2.695 1.00 0.85 H new ATOM 0 HB ILE A 19 3.274 4.292 -0.055 1.00 0.75 H new ATOM 0 HG12 ILE A 19 4.500 2.779 2.238 1.00 0.75 H new ATOM 0 HG13 ILE A 19 2.791 3.136 2.399 1.00 0.75 H new ATOM 0 HG21 ILE A 19 5.662 3.682 0.047 1.00 0.84 H new ATOM 0 HG22 ILE A 19 5.426 5.446 0.036 1.00 0.84 H new ATOM 0 HG23 ILE A 19 5.828 4.611 1.555 1.00 0.84 H new ATOM 0 HD11 ILE A 19 3.130 0.964 1.262 1.00 0.73 H new ATOM 0 HD12 ILE A 19 2.357 2.131 0.163 1.00 0.73 H new ATOM 0 HD13 ILE A 19 4.092 1.769 -0.001 1.00 0.73 H new ATOM 280 N CYS A 20 3.096 7.178 -0.110 1.00 0.85 N ATOM 281 CA CYS A 20 3.288 8.493 -0.721 1.00 0.88 C ATOM 282 C CYS A 20 2.091 9.415 -0.425 1.00 0.86 C ATOM 283 O CYS A 20 1.975 10.494 -1.010 1.00 0.86 O ATOM 284 CB CYS A 20 3.521 8.315 -2.233 1.00 1.12 C ATOM 285 SG CYS A 20 2.159 7.447 -3.069 1.00 1.08 S ATOM 0 H CYS A 20 2.591 6.516 -0.699 1.00 0.85 H new ATOM 0 HA CYS A 20 4.166 8.975 -0.290 1.00 0.88 H new ATOM 0 HB2 CYS A 20 3.655 9.295 -2.691 1.00 1.12 H new ATOM 0 HB3 CYS A 20 4.447 7.761 -2.389 1.00 1.12 H new ATOM 0 HG CYS A 20 1.767 6.447 -2.337 1.00 1.08 H new ATOM 290 N LEU A 21 1.195 8.992 0.478 1.00 0.93 N ATOM 291 CA LEU A 21 -0.003 9.686 0.940 1.00 0.97 C ATOM 292 C LEU A 21 -0.826 10.285 -0.197 1.00 0.83 C ATOM 293 O LEU A 21 -1.608 11.207 0.034 1.00 0.83 O ATOM 294 CB LEU A 21 0.380 10.712 2.017 1.00 1.13 C ATOM 295 CG LEU A 21 0.929 10.031 3.282 1.00 1.30 C ATOM 296 CD1 LEU A 21 1.578 11.078 4.179 1.00 1.47 C ATOM 297 CD2 LEU A 21 -0.186 9.335 4.068 1.00 1.40 C ATOM 0 H LEU A 21 1.302 8.087 0.936 1.00 0.93 H new ATOM 0 HA LEU A 21 -0.669 8.952 1.392 1.00 0.97 H new ATOM 0 HB2 LEU A 21 1.129 11.396 1.618 1.00 1.13 H new ATOM 0 HB3 LEU A 21 -0.493 11.311 2.276 1.00 1.13 H new ATOM 0 HG LEU A 21 1.659 9.283 2.973 1.00 1.30 H new ATOM 0 HD11 LEU A 21 1.968 10.597 5.076 1.00 1.47 H new ATOM 0 HD12 LEU A 21 2.395 11.561 3.642 1.00 1.47 H new ATOM 0 HD13 LEU A 21 0.837 11.826 4.461 1.00 1.47 H new ATOM 0 HD21 LEU A 21 0.235 8.863 4.956 1.00 1.40 H new ATOM 0 HD22 LEU A 21 -0.934 10.070 4.367 1.00 1.40 H new ATOM 0 HD23 LEU A 21 -0.654 8.576 3.441 1.00 1.40 H new ATOM 309 N SER A 22 -0.757 9.695 -1.387 1.00 0.90 N ATOM 310 CA SER A 22 -1.419 10.190 -2.579 1.00 0.82 C ATOM 311 C SER A 22 -2.483 9.194 -3.017 1.00 0.76 C ATOM 312 O SER A 22 -2.390 8.001 -2.726 1.00 0.74 O ATOM 313 CB SER A 22 -0.368 10.417 -3.665 1.00 0.79 C ATOM 314 OG SER A 22 0.346 11.598 -3.368 1.00 1.73 O ATOM 0 H SER A 22 -0.225 8.839 -1.548 1.00 0.90 H new ATOM 0 HA SER A 22 -1.917 11.139 -2.381 1.00 0.82 H new ATOM 0 HB2 SER A 22 0.313 9.567 -3.715 1.00 0.79 H new ATOM 0 HB3 SER A 22 -0.846 10.500 -4.641 1.00 0.79 H new ATOM 0 HG SER A 22 0.955 11.432 -2.618 1.00 1.73 H new ATOM 320 N ILE A 23 -3.531 9.691 -3.673 1.00 0.77 N ATOM 321 CA ILE A 23 -4.589 8.884 -4.212 1.00 0.80 C ATOM 322 C ILE A 23 -3.996 8.088 -5.365 1.00 0.70 C ATOM 323 O ILE A 23 -3.047 8.519 -6.022 1.00 0.62 O ATOM 324 CB ILE A 23 -5.724 9.815 -4.664 1.00 0.89 C ATOM 325 CG1 ILE A 23 -6.420 10.539 -3.499 1.00 1.08 C ATOM 326 CG2 ILE A 23 -6.826 9.032 -5.373 1.00 1.09 C ATOM 327 CD1 ILE A 23 -5.539 11.248 -2.479 1.00 3.02 C ATOM 0 H ILE A 23 -3.657 10.689 -3.840 1.00 0.77 H new ATOM 0 HA ILE A 23 -5.007 8.189 -3.483 1.00 0.80 H new ATOM 0 HB ILE A 23 -5.238 10.538 -5.319 1.00 0.89 H new ATOM 0 HG12 ILE A 23 -7.103 11.276 -3.922 1.00 1.08 H new ATOM 0 HG13 ILE A 23 -7.029 9.809 -2.966 1.00 1.08 H new ATOM 0 HG21 ILE A 23 -7.617 9.716 -5.682 1.00 1.09 H new ATOM 0 HG22 ILE A 23 -6.412 8.535 -6.250 1.00 1.09 H new ATOM 0 HG23 ILE A 23 -7.237 8.286 -4.693 1.00 1.09 H new ATOM 0 HD11 ILE A 23 -6.165 11.713 -1.718 1.00 3.02 H new ATOM 0 HD12 ILE A 23 -4.872 10.525 -2.009 1.00 3.02 H new ATOM 0 HD13 ILE A 23 -4.948 12.015 -2.980 1.00 3.02 H new ATOM 339 N LEU A 24 -4.548 6.901 -5.554 1.00 0.81 N ATOM 340 CA LEU A 24 -4.228 6.006 -6.650 1.00 0.73 C ATOM 341 C LEU A 24 -5.124 6.326 -7.855 1.00 0.80 C ATOM 342 O LEU A 24 -5.524 7.472 -8.027 1.00 0.89 O ATOM 343 CB LEU A 24 -4.368 4.584 -6.095 1.00 0.76 C ATOM 344 CG LEU A 24 -3.337 4.347 -4.985 1.00 0.79 C ATOM 345 CD1 LEU A 24 -3.584 3.006 -4.313 1.00 0.97 C ATOM 346 CD2 LEU A 24 -1.932 4.410 -5.569 1.00 0.70 C ATOM 0 H LEU A 24 -5.256 6.522 -4.925 1.00 0.81 H new ATOM 0 HA LEU A 24 -3.212 6.122 -7.027 1.00 0.73 H new ATOM 0 HB2 LEU A 24 -5.375 4.435 -5.705 1.00 0.76 H new ATOM 0 HB3 LEU A 24 -4.226 3.857 -6.895 1.00 0.76 H new ATOM 0 HG LEU A 24 -3.437 5.126 -4.229 1.00 0.79 H new ATOM 0 HD11 LEU A 24 -2.845 2.851 -3.527 1.00 0.97 H new ATOM 0 HD12 LEU A 24 -4.583 2.996 -3.878 1.00 0.97 H new ATOM 0 HD13 LEU A 24 -3.501 2.208 -5.051 1.00 0.97 H new ATOM 0 HD21 LEU A 24 -1.201 4.241 -4.778 1.00 0.70 H new ATOM 0 HD22 LEU A 24 -1.822 3.642 -6.335 1.00 0.70 H new ATOM 0 HD23 LEU A 24 -1.766 5.392 -6.013 1.00 0.70 H new ATOM 358 N GLU A 25 -5.396 5.360 -8.727 1.00 0.83 N ATOM 359 CA GLU A 25 -6.386 5.465 -9.784 1.00 0.89 C ATOM 360 C GLU A 25 -6.688 4.054 -10.292 1.00 0.86 C ATOM 361 O GLU A 25 -5.841 3.157 -10.206 1.00 0.87 O ATOM 362 CB GLU A 25 -5.871 6.335 -10.942 1.00 0.94 C ATOM 363 CG GLU A 25 -4.738 5.671 -11.737 1.00 0.93 C ATOM 364 CD GLU A 25 -4.131 6.586 -12.808 1.00 1.12 C ATOM 365 OE1 GLU A 25 -3.919 6.085 -13.936 1.00 1.54 O ATOM 366 OE2 GLU A 25 -3.861 7.767 -12.493 1.00 2.05 O ATOM 0 H GLU A 25 -4.918 4.459 -8.714 1.00 0.83 H new ATOM 0 HA GLU A 25 -7.287 5.936 -9.391 1.00 0.89 H new ATOM 0 HB2 GLU A 25 -6.698 6.558 -11.616 1.00 0.94 H new ATOM 0 HB3 GLU A 25 -5.518 7.287 -10.544 1.00 0.94 H new ATOM 0 HG2 GLU A 25 -3.953 5.360 -11.047 1.00 0.93 H new ATOM 0 HG3 GLU A 25 -5.119 4.768 -12.214 1.00 0.93 H new ATOM 373 N GLU A 26 -7.853 3.877 -10.907 1.00 1.04 N ATOM 374 CA GLU A 26 -8.227 2.633 -11.561 1.00 0.96 C ATOM 375 C GLU A 26 -7.374 2.474 -12.822 1.00 1.11 C ATOM 376 O GLU A 26 -7.718 2.987 -13.885 1.00 1.49 O ATOM 377 CB GLU A 26 -9.740 2.636 -11.844 1.00 1.30 C ATOM 378 CG GLU A 26 -10.309 1.239 -12.139 1.00 1.47 C ATOM 379 CD GLU A 26 -10.013 0.714 -13.548 1.00 1.78 C ATOM 380 OE1 GLU A 26 -9.010 -0.024 -13.680 1.00 3.38 O ATOM 381 OE2 GLU A 26 -10.835 0.983 -14.453 1.00 2.50 O ATOM 0 H GLU A 26 -8.569 4.601 -10.965 1.00 1.04 H new ATOM 0 HA GLU A 26 -8.034 1.771 -10.923 1.00 0.96 H new ATOM 0 HB2 GLU A 26 -10.262 3.059 -10.985 1.00 1.30 H new ATOM 0 HB3 GLU A 26 -9.942 3.289 -12.693 1.00 1.30 H new ATOM 0 HG2 GLU A 26 -9.905 0.535 -11.411 1.00 1.47 H new ATOM 0 HG3 GLU A 26 -11.389 1.263 -11.994 1.00 1.47 H new ATOM 388 N GLY A 27 -6.231 1.794 -12.697 1.00 1.41 N ATOM 389 CA GLY A 27 -5.369 1.505 -13.832 1.00 1.91 C ATOM 390 C GLY A 27 -3.896 1.401 -13.446 1.00 1.40 C ATOM 391 O GLY A 27 -3.139 0.706 -14.121 1.00 1.24 O ATOM 0 H GLY A 27 -5.884 1.433 -11.809 1.00 1.41 H new ATOM 0 HA2 GLY A 27 -5.686 0.570 -14.294 1.00 1.91 H new ATOM 0 HA3 GLY A 27 -5.489 2.287 -14.582 1.00 1.91 H new ATOM 395 N GLU A 28 -3.473 2.111 -12.398 1.00 1.37 N ATOM 396 CA GLU A 28 -2.078 2.156 -11.977 1.00 1.03 C ATOM 397 C GLU A 28 -1.589 0.794 -11.490 1.00 0.79 C ATOM 398 O GLU A 28 -2.366 -0.067 -11.071 1.00 0.93 O ATOM 399 CB GLU A 28 -1.914 3.202 -10.863 1.00 1.06 C ATOM 400 CG GLU A 28 -1.217 4.468 -11.371 1.00 1.44 C ATOM 401 CD GLU A 28 0.297 4.291 -11.316 1.00 2.22 C ATOM 402 OE1 GLU A 28 0.783 3.321 -11.939 1.00 3.73 O ATOM 403 OE2 GLU A 28 0.939 5.083 -10.585 1.00 2.59 O ATOM 0 H GLU A 28 -4.095 2.673 -11.817 1.00 1.37 H new ATOM 0 HA GLU A 28 -1.472 2.433 -12.840 1.00 1.03 H new ATOM 0 HB2 GLU A 28 -2.893 3.462 -10.461 1.00 1.06 H new ATOM 0 HB3 GLU A 28 -1.337 2.773 -10.044 1.00 1.06 H new ATOM 0 HG2 GLU A 28 -1.529 4.679 -12.394 1.00 1.44 H new ATOM 0 HG3 GLU A 28 -1.513 5.324 -10.764 1.00 1.44 H new ATOM 410 N ASP A 29 -0.269 0.624 -11.482 1.00 0.65 N ATOM 411 CA ASP A 29 0.347 -0.555 -10.905 1.00 0.66 C ATOM 412 C ASP A 29 0.217 -0.456 -9.393 1.00 0.58 C ATOM 413 O ASP A 29 0.824 0.395 -8.737 1.00 0.60 O ATOM 414 CB ASP A 29 1.823 -0.693 -11.275 1.00 0.91 C ATOM 415 CG ASP A 29 2.043 -1.237 -12.682 1.00 1.92 C ATOM 416 OD1 ASP A 29 1.455 -2.308 -12.961 1.00 3.37 O ATOM 417 OD2 ASP A 29 2.838 -0.623 -13.428 1.00 2.20 O ATOM 0 H ASP A 29 0.393 1.295 -11.872 1.00 0.65 H new ATOM 0 HA ASP A 29 -0.162 -1.434 -11.300 1.00 0.66 H new ATOM 0 HB2 ASP A 29 2.304 0.281 -11.190 1.00 0.91 H new ATOM 0 HB3 ASP A 29 2.310 -1.353 -10.557 1.00 0.91 H new ATOM 422 N VAL A 30 -0.559 -1.365 -8.819 1.00 0.58 N ATOM 423 CA VAL A 30 -0.817 -1.423 -7.399 1.00 0.56 C ATOM 424 C VAL A 30 -0.671 -2.876 -6.970 1.00 0.62 C ATOM 425 O VAL A 30 -0.419 -3.762 -7.793 1.00 0.74 O ATOM 426 CB VAL A 30 -2.193 -0.804 -7.070 1.00 0.61 C ATOM 427 CG1 VAL A 30 -2.245 0.679 -7.454 1.00 0.62 C ATOM 428 CG2 VAL A 30 -3.353 -1.521 -7.768 1.00 0.77 C ATOM 0 H VAL A 30 -1.035 -2.097 -9.346 1.00 0.58 H new ATOM 0 HA VAL A 30 -0.102 -0.827 -6.832 1.00 0.56 H new ATOM 0 HB VAL A 30 -2.310 -0.920 -5.992 1.00 0.61 H new ATOM 0 HG11 VAL A 30 -3.227 1.084 -7.209 1.00 0.62 H new ATOM 0 HG12 VAL A 30 -1.480 1.225 -6.902 1.00 0.62 H new ATOM 0 HG13 VAL A 30 -2.066 0.784 -8.524 1.00 0.62 H new ATOM 0 HG21 VAL A 30 -4.293 -1.040 -7.498 1.00 0.77 H new ATOM 0 HG22 VAL A 30 -3.216 -1.469 -8.848 1.00 0.77 H new ATOM 0 HG23 VAL A 30 -3.376 -2.565 -7.455 1.00 0.77 H new ATOM 438 N ARG A 31 -0.796 -3.119 -5.672 1.00 0.66 N ATOM 439 CA ARG A 31 -0.782 -4.430 -5.065 1.00 0.78 C ATOM 440 C ARG A 31 -1.694 -4.370 -3.848 1.00 0.72 C ATOM 441 O ARG A 31 -2.161 -3.297 -3.458 1.00 0.79 O ATOM 442 CB ARG A 31 0.648 -4.818 -4.651 1.00 0.90 C ATOM 443 CG ARG A 31 1.404 -5.590 -5.741 1.00 1.32 C ATOM 444 CD ARG A 31 2.059 -6.831 -5.130 1.00 1.28 C ATOM 445 NE ARG A 31 2.848 -7.587 -6.111 1.00 2.02 N ATOM 446 CZ ARG A 31 3.450 -8.757 -5.857 1.00 2.35 C ATOM 447 NH1 ARG A 31 4.156 -9.367 -6.808 1.00 3.41 N ATOM 448 NH2 ARG A 31 3.342 -9.317 -4.650 1.00 2.37 N ATOM 0 H ARG A 31 -0.915 -2.370 -4.989 1.00 0.66 H new ATOM 0 HA ARG A 31 -1.130 -5.185 -5.770 1.00 0.78 H new ATOM 0 HB2 ARG A 31 1.205 -3.915 -4.402 1.00 0.90 H new ATOM 0 HB3 ARG A 31 0.605 -5.426 -3.747 1.00 0.90 H new ATOM 0 HG2 ARG A 31 0.718 -5.882 -6.536 1.00 1.32 H new ATOM 0 HG3 ARG A 31 2.163 -4.951 -6.194 1.00 1.32 H new ATOM 0 HD2 ARG A 31 2.703 -6.529 -4.304 1.00 1.28 H new ATOM 0 HD3 ARG A 31 1.287 -7.478 -4.712 1.00 1.28 H new ATOM 0 HE ARG A 31 2.944 -7.196 -7.048 1.00 2.02 H new ATOM 0 HH11 ARG A 31 4.239 -8.944 -7.732 1.00 3.41 H new ATOM 0 HH12 ARG A 31 4.613 -10.257 -6.612 1.00 3.41 H new ATOM 0 HH21 ARG A 31 2.801 -8.854 -3.920 1.00 2.37 H new ATOM 0 HH22 ARG A 31 3.801 -10.208 -4.458 1.00 2.37 H new ATOM 462 N ARG A 32 -1.927 -5.528 -3.234 1.00 0.78 N ATOM 463 CA ARG A 32 -2.840 -5.669 -2.119 1.00 0.87 C ATOM 464 C ARG A 32 -2.137 -6.534 -1.084 1.00 0.86 C ATOM 465 O ARG A 32 -1.496 -7.510 -1.465 1.00 1.12 O ATOM 466 CB ARG A 32 -4.130 -6.314 -2.642 1.00 1.19 C ATOM 467 CG ARG A 32 -5.380 -5.888 -1.871 1.00 1.98 C ATOM 468 CD ARG A 32 -5.292 -6.189 -0.373 1.00 1.03 C ATOM 469 NE ARG A 32 -6.616 -6.532 0.164 1.00 1.49 N ATOM 470 CZ ARG A 32 -7.093 -7.774 0.320 1.00 1.93 C ATOM 471 NH1 ARG A 32 -8.363 -7.954 0.684 1.00 2.55 N ATOM 472 NH2 ARG A 32 -6.315 -8.836 0.102 1.00 2.77 N ATOM 0 H ARG A 32 -1.477 -6.402 -3.506 1.00 0.78 H new ATOM 0 HA ARG A 32 -3.109 -4.718 -1.660 1.00 0.87 H new ATOM 0 HB2 ARG A 32 -4.256 -6.056 -3.694 1.00 1.19 H new ATOM 0 HB3 ARG A 32 -4.032 -7.398 -2.589 1.00 1.19 H new ATOM 0 HG2 ARG A 32 -5.540 -4.819 -2.012 1.00 1.98 H new ATOM 0 HG3 ARG A 32 -6.248 -6.398 -2.288 1.00 1.98 H new ATOM 0 HD2 ARG A 32 -4.600 -7.013 -0.202 1.00 1.03 H new ATOM 0 HD3 ARG A 32 -4.893 -5.323 0.155 1.00 1.03 H new ATOM 0 HE ARG A 32 -7.222 -5.760 0.441 1.00 1.49 H new ATOM 0 HH11 ARG A 32 -8.967 -7.148 0.843 1.00 2.55 H new ATOM 0 HH12 ARG A 32 -8.730 -8.898 0.804 1.00 2.55 H new ATOM 0 HH21 ARG A 32 -5.345 -8.707 -0.187 1.00 2.77 H new ATOM 0 HH22 ARG A 32 -6.690 -9.777 0.224 1.00 2.77 H new ATOM 486 N LEU A 33 -2.227 -6.181 0.200 1.00 0.72 N ATOM 487 CA LEU A 33 -1.517 -6.864 1.273 1.00 0.62 C ATOM 488 C LEU A 33 -2.530 -7.623 2.122 1.00 0.56 C ATOM 489 O LEU A 33 -3.735 -7.395 1.989 1.00 0.60 O ATOM 490 CB LEU A 33 -0.678 -5.882 2.117 1.00 0.55 C ATOM 491 CG LEU A 33 -0.545 -4.469 1.547 1.00 0.64 C ATOM 492 CD1 LEU A 33 0.117 -3.558 2.575 1.00 0.97 C ATOM 493 CD2 LEU A 33 0.306 -4.415 0.275 1.00 1.08 C ATOM 0 H LEU A 33 -2.803 -5.403 0.523 1.00 0.72 H new ATOM 0 HA LEU A 33 -0.808 -7.572 0.845 1.00 0.62 H new ATOM 0 HB2 LEU A 33 -1.122 -5.814 3.110 1.00 0.55 H new ATOM 0 HB3 LEU A 33 0.321 -6.300 2.242 1.00 0.55 H new ATOM 0 HG LEU A 33 -1.556 -4.143 1.305 1.00 0.64 H new ATOM 0 HD11 LEU A 33 0.209 -2.553 2.164 1.00 0.97 H new ATOM 0 HD12 LEU A 33 -0.492 -3.526 3.479 1.00 0.97 H new ATOM 0 HD13 LEU A 33 1.107 -3.943 2.818 1.00 0.97 H new ATOM 0 HD21 LEU A 33 0.363 -3.386 -0.081 1.00 1.08 H new ATOM 0 HD22 LEU A 33 1.310 -4.780 0.493 1.00 1.08 H new ATOM 0 HD23 LEU A 33 -0.148 -5.040 -0.494 1.00 1.08 H new ATOM 505 N PRO A 34 -2.071 -8.507 3.017 1.00 0.51 N ATOM 506 CA PRO A 34 -2.975 -9.293 3.835 1.00 0.55 C ATOM 507 C PRO A 34 -3.723 -8.374 4.793 1.00 0.61 C ATOM 508 O PRO A 34 -4.890 -8.607 5.093 1.00 0.79 O ATOM 509 CB PRO A 34 -2.102 -10.315 4.558 1.00 0.60 C ATOM 510 CG PRO A 34 -0.726 -9.655 4.618 1.00 0.57 C ATOM 511 CD PRO A 34 -0.690 -8.666 3.451 1.00 0.56 C ATOM 0 HA PRO A 34 -3.738 -9.808 3.252 1.00 0.55 H new ATOM 0 HB2 PRO A 34 -2.484 -10.531 5.556 1.00 0.60 H new ATOM 0 HB3 PRO A 34 -2.067 -11.262 4.019 1.00 0.60 H new ATOM 0 HG2 PRO A 34 -0.578 -9.144 5.569 1.00 0.57 H new ATOM 0 HG3 PRO A 34 0.068 -10.396 4.528 1.00 0.57 H new ATOM 0 HD2 PRO A 34 -0.266 -7.711 3.762 1.00 0.56 H new ATOM 0 HD3 PRO A 34 -0.067 -9.042 2.640 1.00 0.56 H new ATOM 519 N CYS A 35 -3.088 -7.276 5.217 1.00 0.58 N ATOM 520 CA CYS A 35 -3.659 -6.321 6.147 1.00 0.73 C ATOM 521 C CYS A 35 -4.562 -5.301 5.424 1.00 0.97 C ATOM 522 O CYS A 35 -4.592 -4.119 5.815 1.00 1.46 O ATOM 523 CB CYS A 35 -2.464 -5.661 6.850 1.00 0.89 C ATOM 524 SG CYS A 35 -1.739 -4.370 5.795 1.00 2.26 S ATOM 0 H CYS A 35 -2.146 -7.030 4.912 1.00 0.58 H new ATOM 0 HA CYS A 35 -4.313 -6.803 6.874 1.00 0.73 H new ATOM 0 HB2 CYS A 35 -2.786 -5.227 7.797 1.00 0.89 H new ATOM 0 HB3 CYS A 35 -1.711 -6.414 7.084 1.00 0.89 H new ATOM 0 HG CYS A 35 -1.563 -3.288 6.493 1.00 2.26 H new ATOM 529 N MET A 36 -5.256 -5.762 4.375 1.00 0.88 N ATOM 530 CA MET A 36 -6.231 -5.083 3.537 1.00 1.05 C ATOM 531 C MET A 36 -5.845 -3.647 3.231 1.00 1.10 C ATOM 532 O MET A 36 -6.587 -2.704 3.489 1.00 1.65 O ATOM 533 CB MET A 36 -7.657 -5.249 4.081 1.00 1.19 C ATOM 534 CG MET A 36 -7.884 -4.612 5.456 1.00 2.93 C ATOM 535 SD MET A 36 -9.600 -4.730 6.018 1.00 3.89 S ATOM 536 CE MET A 36 -9.543 -3.505 7.350 1.00 5.74 C ATOM 0 H MET A 36 -5.128 -6.726 4.066 1.00 0.88 H new ATOM 0 HA MET A 36 -6.226 -5.577 2.565 1.00 1.05 H new ATOM 0 HB2 MET A 36 -8.358 -4.811 3.370 1.00 1.19 H new ATOM 0 HB3 MET A 36 -7.888 -6.312 4.143 1.00 1.19 H new ATOM 0 HG2 MET A 36 -7.235 -5.096 6.186 1.00 2.93 H new ATOM 0 HG3 MET A 36 -7.592 -3.563 5.416 1.00 2.93 H new ATOM 0 HE1 MET A 36 -10.523 -3.435 7.822 1.00 5.74 H new ATOM 0 HE2 MET A 36 -8.803 -3.808 8.091 1.00 5.74 H new ATOM 0 HE3 MET A 36 -9.268 -2.533 6.939 1.00 5.74 H new ATOM 546 N HIS A 37 -4.688 -3.495 2.597 1.00 0.79 N ATOM 547 CA HIS A 37 -4.262 -2.204 2.093 1.00 0.76 C ATOM 548 C HIS A 37 -3.971 -2.295 0.600 1.00 0.66 C ATOM 549 O HIS A 37 -3.609 -3.363 0.108 1.00 0.93 O ATOM 550 CB HIS A 37 -3.079 -1.699 2.923 1.00 0.93 C ATOM 551 CG HIS A 37 -3.542 -0.812 4.048 1.00 1.11 C ATOM 552 ND1 HIS A 37 -3.691 -1.157 5.394 1.00 0.90 N ATOM 553 CD2 HIS A 37 -3.969 0.474 3.871 1.00 1.61 C ATOM 554 CE1 HIS A 37 -4.182 -0.063 5.993 1.00 1.21 C ATOM 555 NE2 HIS A 37 -4.354 0.936 5.108 1.00 1.64 N ATOM 0 H HIS A 37 -4.030 -4.254 2.422 1.00 0.79 H new ATOM 0 HA HIS A 37 -5.058 -1.467 2.200 1.00 0.76 H new ATOM 0 HB2 HIS A 37 -2.528 -2.547 3.329 1.00 0.93 H new ATOM 0 HB3 HIS A 37 -2.390 -1.148 2.282 1.00 0.93 H new ATOM 0 HD1 HIS A 37 -3.472 -2.053 5.829 1.00 0.90 H new ATOM 0 HD2 HIS A 37 -3.998 1.021 2.940 1.00 1.61 H new ATOM 0 HE1 HIS A 37 -4.409 0.007 7.046 1.00 1.21 H new ATOM 563 N LEU A 38 -4.168 -1.179 -0.105 1.00 0.79 N ATOM 564 CA LEU A 38 -4.102 -1.060 -1.556 1.00 0.80 C ATOM 565 C LEU A 38 -3.037 -0.005 -1.821 1.00 0.73 C ATOM 566 O LEU A 38 -3.277 1.171 -1.563 1.00 0.82 O ATOM 567 CB LEU A 38 -5.485 -0.631 -2.095 1.00 1.13 C ATOM 568 CG LEU A 38 -5.953 -1.472 -3.288 1.00 1.14 C ATOM 569 CD1 LEU A 38 -7.446 -1.241 -3.528 1.00 2.11 C ATOM 570 CD2 LEU A 38 -5.180 -1.115 -4.558 1.00 2.08 C ATOM 0 H LEU A 38 -4.389 -0.292 0.347 1.00 0.79 H new ATOM 0 HA LEU A 38 -3.848 -1.996 -2.054 1.00 0.80 H new ATOM 0 HB2 LEU A 38 -6.220 -0.707 -1.294 1.00 1.13 H new ATOM 0 HB3 LEU A 38 -5.444 0.417 -2.391 1.00 1.13 H new ATOM 0 HG LEU A 38 -5.768 -2.520 -3.053 1.00 1.14 H new ATOM 0 HD11 LEU A 38 -7.775 -1.840 -4.377 1.00 2.11 H new ATOM 0 HD12 LEU A 38 -8.007 -1.532 -2.639 1.00 2.11 H new ATOM 0 HD13 LEU A 38 -7.622 -0.186 -3.739 1.00 2.11 H new ATOM 0 HD21 LEU A 38 -5.536 -1.729 -5.385 1.00 2.08 H new ATOM 0 HD22 LEU A 38 -5.335 -0.062 -4.795 1.00 2.08 H new ATOM 0 HD23 LEU A 38 -4.117 -1.299 -4.401 1.00 2.08 H new ATOM 582 N PHE A 39 -1.845 -0.419 -2.245 1.00 0.63 N ATOM 583 CA PHE A 39 -0.675 0.450 -2.315 1.00 0.58 C ATOM 584 C PHE A 39 -0.080 0.337 -3.716 1.00 0.57 C ATOM 585 O PHE A 39 -0.232 -0.694 -4.363 1.00 0.66 O ATOM 586 CB PHE A 39 0.355 0.026 -1.247 1.00 0.60 C ATOM 587 CG PHE A 39 0.035 0.290 0.223 1.00 0.69 C ATOM 588 CD1 PHE A 39 -0.985 1.172 0.635 1.00 1.92 C ATOM 589 CD2 PHE A 39 0.813 -0.343 1.212 1.00 1.60 C ATOM 590 CE1 PHE A 39 -1.264 1.351 2.001 1.00 2.04 C ATOM 591 CE2 PHE A 39 0.566 -0.132 2.579 1.00 1.67 C ATOM 592 CZ PHE A 39 -0.501 0.686 2.976 1.00 1.06 C ATOM 0 H PHE A 39 -1.664 -1.375 -2.552 1.00 0.63 H new ATOM 0 HA PHE A 39 -0.955 1.485 -2.120 1.00 0.58 H new ATOM 0 HB2 PHE A 39 0.529 -1.044 -1.361 1.00 0.60 H new ATOM 0 HB3 PHE A 39 1.295 0.528 -1.476 1.00 0.60 H new ATOM 0 HD1 PHE A 39 -1.556 1.714 -0.104 1.00 1.92 H new ATOM 0 HD2 PHE A 39 1.614 -1.003 0.914 1.00 1.60 H new ATOM 0 HE1 PHE A 39 -2.070 2.004 2.303 1.00 2.04 H new ATOM 0 HE2 PHE A 39 1.196 -0.599 3.322 1.00 1.67 H new ATOM 0 HZ PHE A 39 -0.735 0.804 4.024 1.00 1.06 H new ATOM 602 N HIS A 40 0.610 1.377 -4.194 1.00 0.57 N ATOM 603 CA HIS A 40 1.358 1.294 -5.451 1.00 0.54 C ATOM 604 C HIS A 40 2.349 0.138 -5.388 1.00 0.50 C ATOM 605 O HIS A 40 2.876 -0.151 -4.319 1.00 0.55 O ATOM 606 CB HIS A 40 2.187 2.560 -5.663 1.00 0.56 C ATOM 607 CG HIS A 40 1.495 3.740 -6.273 1.00 0.60 C ATOM 608 ND1 HIS A 40 1.627 5.047 -5.804 1.00 0.80 N ATOM 609 CD2 HIS A 40 0.918 3.749 -7.508 1.00 0.64 C ATOM 610 CE1 HIS A 40 1.117 5.825 -6.774 1.00 0.97 C ATOM 611 NE2 HIS A 40 0.678 5.070 -7.804 1.00 0.87 N ATOM 0 H HIS A 40 0.666 2.284 -3.730 1.00 0.57 H new ATOM 0 HA HIS A 40 0.636 1.160 -6.256 1.00 0.54 H new ATOM 0 HB2 HIS A 40 2.588 2.866 -4.697 1.00 0.56 H new ATOM 0 HB3 HIS A 40 3.038 2.304 -6.295 1.00 0.56 H new ATOM 0 HD2 HIS A 40 0.695 2.893 -8.128 1.00 0.64 H new ATOM 0 HE1 HIS A 40 1.065 6.903 -6.735 1.00 0.97 H new ATOM 0 HE2 HIS A 40 0.242 5.420 -8.657 1.00 0.87 H new ATOM 619 N GLN A 41 2.686 -0.445 -6.539 1.00 0.49 N ATOM 620 CA GLN A 41 3.742 -1.442 -6.636 1.00 0.48 C ATOM 621 C GLN A 41 5.080 -0.882 -6.157 1.00 0.53 C ATOM 622 O GLN A 41 5.695 -1.445 -5.257 1.00 1.03 O ATOM 623 CB GLN A 41 3.819 -1.977 -8.073 1.00 0.54 C ATOM 624 CG GLN A 41 3.094 -3.323 -8.102 1.00 1.35 C ATOM 625 CD GLN A 41 2.973 -3.913 -9.497 1.00 1.21 C ATOM 626 OE1 GLN A 41 3.971 -4.152 -10.163 1.00 1.51 O ATOM 627 NE2 GLN A 41 1.755 -4.202 -9.935 1.00 1.41 N ATOM 0 H GLN A 41 2.232 -0.236 -7.428 1.00 0.49 H new ATOM 0 HA GLN A 41 3.504 -2.276 -5.976 1.00 0.48 H new ATOM 0 HB2 GLN A 41 3.356 -1.277 -8.768 1.00 0.54 H new ATOM 0 HB3 GLN A 41 4.857 -2.094 -8.383 1.00 0.54 H new ATOM 0 HG2 GLN A 41 3.626 -4.028 -7.462 1.00 1.35 H new ATOM 0 HG3 GLN A 41 2.097 -3.199 -7.680 1.00 1.35 H new ATOM 0 HE21 GLN A 41 0.942 -3.991 -9.357 1.00 1.41 H new ATOM 0 HE22 GLN A 41 1.632 -4.635 -10.850 1.00 1.41 H new ATOM 636 N VAL A 42 5.552 0.216 -6.746 1.00 0.73 N ATOM 637 CA VAL A 42 6.863 0.751 -6.393 1.00 0.77 C ATOM 638 C VAL A 42 6.892 1.172 -4.921 1.00 0.72 C ATOM 639 O VAL A 42 7.829 0.840 -4.198 1.00 0.67 O ATOM 640 CB VAL A 42 7.245 1.892 -7.350 1.00 0.91 C ATOM 641 CG1 VAL A 42 8.621 2.471 -7.002 1.00 1.14 C ATOM 642 CG2 VAL A 42 7.293 1.367 -8.792 1.00 1.07 C ATOM 0 H VAL A 42 5.053 0.746 -7.461 1.00 0.73 H new ATOM 0 HA VAL A 42 7.618 -0.027 -6.509 1.00 0.77 H new ATOM 0 HB VAL A 42 6.492 2.674 -7.251 1.00 0.91 H new ATOM 0 HG11 VAL A 42 8.863 3.276 -7.696 1.00 1.14 H new ATOM 0 HG12 VAL A 42 8.605 2.862 -5.985 1.00 1.14 H new ATOM 0 HG13 VAL A 42 9.375 1.688 -7.077 1.00 1.14 H new ATOM 0 HG21 VAL A 42 7.564 2.179 -9.466 1.00 1.07 H new ATOM 0 HG22 VAL A 42 8.035 0.572 -8.865 1.00 1.07 H new ATOM 0 HG23 VAL A 42 6.314 0.976 -9.070 1.00 1.07 H new ATOM 652 N CYS A 43 5.867 1.894 -4.458 1.00 0.73 N ATOM 653 CA CYS A 43 5.852 2.375 -3.085 1.00 0.71 C ATOM 654 C CYS A 43 5.868 1.184 -2.125 1.00 0.61 C ATOM 655 O CYS A 43 6.582 1.215 -1.128 1.00 0.55 O ATOM 656 CB CYS A 43 4.605 3.232 -2.841 1.00 0.72 C ATOM 657 SG CYS A 43 4.541 4.591 -4.046 1.00 0.90 S ATOM 0 H CYS A 43 5.049 2.153 -5.010 1.00 0.73 H new ATOM 0 HA CYS A 43 6.736 2.988 -2.910 1.00 0.71 H new ATOM 0 HB2 CYS A 43 3.709 2.617 -2.925 1.00 0.72 H new ATOM 0 HB3 CYS A 43 4.622 3.634 -1.828 1.00 0.72 H new ATOM 0 HG CYS A 43 3.341 4.679 -4.537 1.00 0.90 H new ATOM 662 N VAL A 44 5.065 0.146 -2.379 1.00 0.59 N ATOM 663 CA VAL A 44 4.996 -0.977 -1.467 1.00 0.51 C ATOM 664 C VAL A 44 6.236 -1.853 -1.548 1.00 0.44 C ATOM 665 O VAL A 44 6.516 -2.573 -0.600 1.00 0.37 O ATOM 666 CB VAL A 44 3.713 -1.784 -1.649 1.00 0.58 C ATOM 667 CG1 VAL A 44 3.800 -2.802 -2.774 1.00 0.61 C ATOM 668 CG2 VAL A 44 3.426 -2.561 -0.371 1.00 0.64 C ATOM 0 H VAL A 44 4.465 0.069 -3.200 1.00 0.59 H new ATOM 0 HA VAL A 44 4.967 -0.563 -0.459 1.00 0.51 H new ATOM 0 HB VAL A 44 2.930 -1.065 -1.890 1.00 0.58 H new ATOM 0 HG11 VAL A 44 2.856 -3.342 -2.850 1.00 0.61 H new ATOM 0 HG12 VAL A 44 4.002 -2.289 -3.714 1.00 0.61 H new ATOM 0 HG13 VAL A 44 4.605 -3.507 -2.565 1.00 0.61 H new ATOM 0 HG21 VAL A 44 2.511 -3.140 -0.495 1.00 0.64 H new ATOM 0 HG22 VAL A 44 4.256 -3.236 -0.161 1.00 0.64 H new ATOM 0 HG23 VAL A 44 3.306 -1.865 0.459 1.00 0.64 H new ATOM 678 N ASP A 45 6.974 -1.821 -2.654 1.00 0.53 N ATOM 679 CA ASP A 45 8.252 -2.509 -2.730 1.00 0.54 C ATOM 680 C ASP A 45 9.160 -1.933 -1.650 1.00 0.46 C ATOM 681 O ASP A 45 9.569 -2.628 -0.720 1.00 0.43 O ATOM 682 CB ASP A 45 8.863 -2.357 -4.124 1.00 0.68 C ATOM 683 CG ASP A 45 10.195 -3.093 -4.190 1.00 1.13 C ATOM 684 OD1 ASP A 45 10.155 -4.335 -4.074 1.00 2.11 O ATOM 685 OD2 ASP A 45 11.223 -2.397 -4.341 1.00 2.22 O ATOM 0 H ASP A 45 6.707 -1.327 -3.506 1.00 0.53 H new ATOM 0 HA ASP A 45 8.122 -3.578 -2.561 1.00 0.54 H new ATOM 0 HB2 ASP A 45 8.180 -2.755 -4.875 1.00 0.68 H new ATOM 0 HB3 ASP A 45 9.009 -1.301 -4.353 1.00 0.68 H new ATOM 690 N GLN A 46 9.401 -0.622 -1.709 1.00 0.49 N ATOM 691 CA GLN A 46 10.225 0.031 -0.703 1.00 0.50 C ATOM 692 C GLN A 46 9.595 -0.032 0.684 1.00 0.46 C ATOM 693 O GLN A 46 10.312 -0.039 1.682 1.00 0.50 O ATOM 694 CB GLN A 46 10.542 1.474 -1.108 1.00 0.62 C ATOM 695 CG GLN A 46 11.403 1.499 -2.378 1.00 0.76 C ATOM 696 CD GLN A 46 11.846 2.912 -2.750 1.00 1.78 C ATOM 697 OE1 GLN A 46 11.627 3.871 -2.022 1.00 2.76 O ATOM 698 NE2 GLN A 46 12.492 3.067 -3.899 1.00 2.64 N ATOM 0 H GLN A 46 9.040 -0.002 -2.435 1.00 0.49 H new ATOM 0 HA GLN A 46 11.165 -0.519 -0.647 1.00 0.50 H new ATOM 0 HB2 GLN A 46 9.615 2.022 -1.279 1.00 0.62 H new ATOM 0 HB3 GLN A 46 11.066 1.979 -0.296 1.00 0.62 H new ATOM 0 HG2 GLN A 46 12.282 0.872 -2.231 1.00 0.76 H new ATOM 0 HG3 GLN A 46 10.839 1.068 -3.205 1.00 0.76 H new ATOM 0 HE21 GLN A 46 12.669 2.260 -4.498 1.00 2.64 H new ATOM 0 HE22 GLN A 46 12.812 3.993 -4.183 1.00 2.64 H new ATOM 707 N ALA A 47 8.271 -0.104 0.783 1.00 0.44 N ATOM 708 CA ALA A 47 7.623 -0.292 2.065 1.00 0.45 C ATOM 709 C ALA A 47 8.071 -1.613 2.683 1.00 0.37 C ATOM 710 O ALA A 47 8.563 -1.627 3.804 1.00 0.46 O ATOM 711 CB ALA A 47 6.112 -0.262 1.884 1.00 0.49 C ATOM 0 H ALA A 47 7.633 -0.035 -0.010 1.00 0.44 H new ATOM 0 HA ALA A 47 7.907 0.515 2.740 1.00 0.45 H new ATOM 0 HB1 ALA A 47 5.627 -0.404 2.850 1.00 0.49 H new ATOM 0 HB2 ALA A 47 5.815 0.700 1.466 1.00 0.49 H new ATOM 0 HB3 ALA A 47 5.811 -1.061 1.206 1.00 0.49 H new ATOM 717 N LEU A 48 7.902 -2.719 1.957 1.00 0.30 N ATOM 718 CA LEU A 48 8.189 -4.060 2.440 1.00 0.31 C ATOM 719 C LEU A 48 9.659 -4.170 2.825 1.00 0.42 C ATOM 720 O LEU A 48 9.963 -4.593 3.940 1.00 0.56 O ATOM 721 CB LEU A 48 7.763 -5.079 1.371 1.00 0.40 C ATOM 722 CG LEU A 48 7.655 -6.522 1.895 1.00 0.62 C ATOM 723 CD1 LEU A 48 6.750 -7.325 0.957 1.00 0.84 C ATOM 724 CD2 LEU A 48 9.005 -7.243 1.977 1.00 1.06 C ATOM 0 H LEU A 48 7.555 -2.702 0.998 1.00 0.30 H new ATOM 0 HA LEU A 48 7.618 -4.278 3.343 1.00 0.31 H new ATOM 0 HB2 LEU A 48 6.799 -4.779 0.960 1.00 0.40 H new ATOM 0 HB3 LEU A 48 8.481 -5.053 0.551 1.00 0.40 H new ATOM 0 HG LEU A 48 7.251 -6.458 2.905 1.00 0.62 H new ATOM 0 HD11 LEU A 48 6.667 -8.349 1.320 1.00 0.84 H new ATOM 0 HD12 LEU A 48 5.760 -6.869 0.928 1.00 0.84 H new ATOM 0 HD13 LEU A 48 7.177 -7.329 -0.046 1.00 0.84 H new ATOM 0 HD21 LEU A 48 8.855 -8.255 2.354 1.00 1.06 H new ATOM 0 HD22 LEU A 48 9.454 -7.288 0.985 1.00 1.06 H new ATOM 0 HD23 LEU A 48 9.667 -6.699 2.651 1.00 1.06 H new ATOM 736 N ILE A 49 10.577 -3.782 1.932 1.00 0.44 N ATOM 737 CA ILE A 49 12.004 -3.865 2.232 1.00 0.56 C ATOM 738 C ILE A 49 12.362 -3.009 3.447 1.00 0.63 C ATOM 739 O ILE A 49 13.247 -3.384 4.211 1.00 0.76 O ATOM 740 CB ILE A 49 12.881 -3.535 1.007 1.00 0.61 C ATOM 741 CG1 ILE A 49 12.915 -2.043 0.655 1.00 0.59 C ATOM 742 CG2 ILE A 49 12.477 -4.388 -0.203 1.00 0.63 C ATOM 743 CD1 ILE A 49 14.151 -1.342 1.231 1.00 0.71 C ATOM 0 H ILE A 49 10.357 -3.412 1.007 1.00 0.44 H new ATOM 0 HA ILE A 49 12.221 -4.902 2.488 1.00 0.56 H new ATOM 0 HB ILE A 49 13.902 -3.791 1.289 1.00 0.61 H new ATOM 0 HG12 ILE A 49 12.905 -1.926 -0.429 1.00 0.59 H new ATOM 0 HG13 ILE A 49 12.015 -1.561 1.036 1.00 0.59 H new ATOM 0 HG21 ILE A 49 13.110 -4.136 -1.054 1.00 0.63 H new ATOM 0 HG22 ILE A 49 12.598 -5.444 0.039 1.00 0.63 H new ATOM 0 HG23 ILE A 49 11.435 -4.191 -0.456 1.00 0.63 H new ATOM 0 HD11 ILE A 49 14.132 -0.287 0.956 1.00 0.71 H new ATOM 0 HD12 ILE A 49 14.148 -1.434 2.317 1.00 0.71 H new ATOM 0 HD13 ILE A 49 15.052 -1.806 0.830 1.00 0.71 H new ATOM 755 N THR A 50 11.697 -1.863 3.638 1.00 0.59 N ATOM 756 CA THR A 50 11.942 -1.040 4.810 1.00 0.70 C ATOM 757 C THR A 50 11.506 -1.805 6.057 1.00 0.73 C ATOM 758 O THR A 50 12.252 -1.899 7.030 1.00 0.83 O ATOM 759 CB THR A 50 11.228 0.313 4.676 1.00 0.71 C ATOM 760 OG1 THR A 50 11.906 1.080 3.708 1.00 0.76 O ATOM 761 CG2 THR A 50 11.218 1.123 5.972 1.00 0.85 C ATOM 0 H THR A 50 10.993 -1.494 2.998 1.00 0.59 H new ATOM 0 HA THR A 50 13.007 -0.824 4.899 1.00 0.70 H new ATOM 0 HB THR A 50 10.194 0.100 4.403 1.00 0.71 H new ATOM 0 HG1 THR A 50 11.538 0.886 2.821 1.00 0.76 H new ATOM 0 HG21 THR A 50 10.698 2.067 5.807 1.00 0.85 H new ATOM 0 HG22 THR A 50 10.706 0.558 6.750 1.00 0.85 H new ATOM 0 HG23 THR A 50 12.243 1.323 6.284 1.00 0.85 H new ATOM 769 N ASN A 51 10.282 -2.333 6.057 1.00 0.67 N ATOM 770 CA ASN A 51 9.767 -3.130 7.150 1.00 0.74 C ATOM 771 C ASN A 51 8.565 -3.915 6.631 1.00 0.64 C ATOM 772 O ASN A 51 7.536 -3.322 6.327 1.00 0.72 O ATOM 773 CB ASN A 51 9.340 -2.200 8.300 1.00 0.90 C ATOM 774 CG ASN A 51 9.328 -2.858 9.673 1.00 1.56 C ATOM 775 OD1 ASN A 51 9.234 -2.163 10.677 1.00 2.44 O ATOM 776 ND2 ASN A 51 9.399 -4.180 9.787 1.00 2.76 N ATOM 0 H ASN A 51 9.622 -2.214 5.289 1.00 0.67 H new ATOM 0 HA ASN A 51 10.527 -3.817 7.523 1.00 0.74 H new ATOM 0 HB2 ASN A 51 10.014 -1.344 8.327 1.00 0.90 H new ATOM 0 HB3 ASN A 51 8.343 -1.814 8.087 1.00 0.90 H new ATOM 0 HD21 ASN A 51 9.375 -4.614 10.710 1.00 2.76 H new ATOM 0 HD22 ASN A 51 9.477 -4.760 8.952 1.00 2.76 H new ATOM 783 N LYS A 52 8.656 -5.244 6.558 1.00 0.61 N ATOM 784 CA LYS A 52 7.521 -6.095 6.208 1.00 0.53 C ATOM 785 C LYS A 52 6.448 -6.077 7.299 1.00 0.55 C ATOM 786 O LYS A 52 6.364 -6.989 8.117 1.00 1.47 O ATOM 787 CB LYS A 52 8.023 -7.509 5.872 1.00 0.63 C ATOM 788 CG LYS A 52 8.915 -8.161 6.950 1.00 1.67 C ATOM 789 CD LYS A 52 8.323 -9.521 7.307 1.00 2.44 C ATOM 790 CE LYS A 52 9.122 -10.357 8.304 1.00 3.46 C ATOM 791 NZ LYS A 52 8.707 -10.081 9.693 1.00 4.94 N ATOM 0 H LYS A 52 9.518 -5.759 6.740 1.00 0.61 H new ATOM 0 HA LYS A 52 7.033 -5.700 5.317 1.00 0.53 H new ATOM 0 HB2 LYS A 52 7.160 -8.152 5.699 1.00 0.63 H new ATOM 0 HB3 LYS A 52 8.582 -7.467 4.937 1.00 0.63 H new ATOM 0 HG2 LYS A 52 9.934 -8.276 6.580 1.00 1.67 H new ATOM 0 HG3 LYS A 52 8.967 -7.526 7.834 1.00 1.67 H new ATOM 0 HD2 LYS A 52 7.323 -9.365 7.713 1.00 2.44 H new ATOM 0 HD3 LYS A 52 8.208 -10.098 6.389 1.00 2.44 H new ATOM 0 HE2 LYS A 52 8.985 -11.416 8.085 1.00 3.46 H new ATOM 0 HE3 LYS A 52 10.185 -10.143 8.191 1.00 3.46 H new ATOM 0 HZ1 LYS A 52 9.280 -10.652 10.347 1.00 4.94 H new ATOM 0 HZ2 LYS A 52 8.845 -9.072 9.903 1.00 4.94 H new ATOM 0 HZ3 LYS A 52 7.703 -10.325 9.810 1.00 4.94 H new ATOM 805 N LYS A 53 5.616 -5.035 7.302 1.00 0.73 N ATOM 806 CA LYS A 53 4.427 -4.906 8.127 1.00 0.71 C ATOM 807 C LYS A 53 3.587 -3.756 7.580 1.00 0.77 C ATOM 808 O LYS A 53 4.136 -2.798 7.039 1.00 1.05 O ATOM 809 CB LYS A 53 4.794 -4.647 9.597 1.00 0.93 C ATOM 810 CG LYS A 53 5.816 -3.514 9.788 1.00 1.93 C ATOM 811 CD LYS A 53 5.333 -2.475 10.801 1.00 2.97 C ATOM 812 CE LYS A 53 6.386 -1.371 10.919 1.00 3.97 C ATOM 813 NZ LYS A 53 5.928 -0.251 11.764 1.00 5.18 N ATOM 0 H LYS A 53 5.764 -4.225 6.700 1.00 0.73 H new ATOM 0 HA LYS A 53 3.861 -5.837 8.094 1.00 0.71 H new ATOM 0 HB2 LYS A 53 3.887 -4.404 10.151 1.00 0.93 H new ATOM 0 HB3 LYS A 53 5.196 -5.564 10.029 1.00 0.93 H new ATOM 0 HG2 LYS A 53 6.765 -3.934 10.123 1.00 1.93 H new ATOM 0 HG3 LYS A 53 6.002 -3.028 8.830 1.00 1.93 H new ATOM 0 HD2 LYS A 53 4.379 -2.054 10.483 1.00 2.97 H new ATOM 0 HD3 LYS A 53 5.167 -2.943 11.771 1.00 2.97 H new ATOM 0 HE2 LYS A 53 7.302 -1.788 11.337 1.00 3.97 H new ATOM 0 HE3 LYS A 53 6.631 -0.997 9.925 1.00 3.97 H new ATOM 0 HZ1 LYS A 53 6.673 0.473 11.815 1.00 5.18 H new ATOM 0 HZ2 LYS A 53 5.069 0.166 11.352 1.00 5.18 H new ATOM 0 HZ3 LYS A 53 5.719 -0.601 12.721 1.00 5.18 H new ATOM 827 N CYS A 54 2.269 -3.830 7.738 1.00 0.67 N ATOM 828 CA CYS A 54 1.385 -2.708 7.446 1.00 0.79 C ATOM 829 C CYS A 54 1.693 -1.584 8.449 1.00 0.79 C ATOM 830 O CYS A 54 2.081 -1.884 9.579 1.00 0.72 O ATOM 831 CB CYS A 54 -0.069 -3.137 7.704 1.00 0.94 C ATOM 832 SG CYS A 54 -1.117 -3.061 6.214 1.00 1.17 S ATOM 0 H CYS A 54 1.786 -4.665 8.070 1.00 0.67 H new ATOM 0 HA CYS A 54 1.525 -2.387 6.414 1.00 0.79 H new ATOM 0 HB2 CYS A 54 -0.077 -4.155 8.094 1.00 0.94 H new ATOM 0 HB3 CYS A 54 -0.498 -2.497 8.475 1.00 0.94 H new ATOM 0 HG CYS A 54 -1.174 -4.237 5.663 1.00 1.17 H new ATOM 837 N PRO A 55 1.408 -0.318 8.104 1.00 1.24 N ATOM 838 CA PRO A 55 1.520 0.803 9.021 1.00 1.49 C ATOM 839 C PRO A 55 0.481 0.686 10.143 1.00 1.66 C ATOM 840 O PRO A 55 0.784 0.146 11.204 1.00 2.61 O ATOM 841 CB PRO A 55 1.374 2.061 8.155 1.00 2.13 C ATOM 842 CG PRO A 55 0.577 1.590 6.939 1.00 2.25 C ATOM 843 CD PRO A 55 0.943 0.114 6.797 1.00 1.75 C ATOM 0 HA PRO A 55 2.476 0.835 9.543 1.00 1.49 H new ATOM 0 HB2 PRO A 55 0.852 2.854 8.690 1.00 2.13 H new ATOM 0 HB3 PRO A 55 2.346 2.459 7.864 1.00 2.13 H new ATOM 0 HG2 PRO A 55 -0.494 1.721 7.090 1.00 2.25 H new ATOM 0 HG3 PRO A 55 0.844 2.154 6.045 1.00 2.25 H new ATOM 0 HD2 PRO A 55 0.081 -0.472 6.478 1.00 1.75 H new ATOM 0 HD3 PRO A 55 1.718 -0.024 6.043 1.00 1.75 H new ATOM 851 N ILE A 56 -0.755 1.155 9.937 1.00 1.68 N ATOM 852 CA ILE A 56 -1.787 1.124 10.971 1.00 1.80 C ATOM 853 C ILE A 56 -2.563 -0.199 10.914 1.00 1.74 C ATOM 854 O ILE A 56 -3.790 -0.224 10.918 1.00 2.63 O ATOM 855 CB ILE A 56 -2.656 2.397 10.901 1.00 2.31 C ATOM 856 CG1 ILE A 56 -3.644 2.449 12.082 1.00 3.89 C ATOM 857 CG2 ILE A 56 -3.385 2.569 9.557 1.00 2.15 C ATOM 858 CD1 ILE A 56 -3.935 3.884 12.525 1.00 4.71 C ATOM 0 H ILE A 56 -1.063 1.563 9.054 1.00 1.68 H new ATOM 0 HA ILE A 56 -1.333 1.144 11.962 1.00 1.80 H new ATOM 0 HB ILE A 56 -1.971 3.241 10.977 1.00 2.31 H new ATOM 0 HG12 ILE A 56 -4.576 1.962 11.796 1.00 3.89 H new ATOM 0 HG13 ILE A 56 -3.235 1.887 12.921 1.00 3.89 H new ATOM 0 HG21 ILE A 56 -3.977 3.484 9.579 1.00 2.15 H new ATOM 0 HG22 ILE A 56 -2.653 2.629 8.751 1.00 2.15 H new ATOM 0 HG23 ILE A 56 -4.042 1.716 9.388 1.00 2.15 H new ATOM 0 HD11 ILE A 56 -4.636 3.872 13.360 1.00 4.71 H new ATOM 0 HD12 ILE A 56 -3.007 4.364 12.837 1.00 4.71 H new ATOM 0 HD13 ILE A 56 -4.369 4.440 11.694 1.00 4.71 H new ATOM 870 N CYS A 57 -1.818 -1.304 10.910 1.00 1.20 N ATOM 871 CA CYS A 57 -2.348 -2.640 11.160 1.00 1.20 C ATOM 872 C CYS A 57 -1.350 -3.385 12.059 1.00 1.30 C ATOM 873 O CYS A 57 -1.758 -4.142 12.933 1.00 2.35 O ATOM 874 CB CYS A 57 -2.596 -3.424 9.849 1.00 1.04 C ATOM 875 SG CYS A 57 -3.162 -2.363 8.467 1.00 1.21 S ATOM 0 H CYS A 57 -0.814 -1.294 10.730 1.00 1.20 H new ATOM 0 HA CYS A 57 -3.317 -2.554 11.652 1.00 1.20 H new ATOM 0 HB2 CYS A 57 -1.676 -3.930 9.556 1.00 1.04 H new ATOM 0 HB3 CYS A 57 -3.341 -4.198 10.032 1.00 1.04 H new ATOM 0 HG CYS A 57 -2.431 -2.592 7.417 1.00 1.21 H new ATOM 880 N ARG A 58 -0.037 -3.176 11.862 1.00 0.88 N ATOM 881 CA ARG A 58 1.014 -3.841 12.636 1.00 0.91 C ATOM 882 C ARG A 58 0.959 -5.361 12.458 1.00 0.95 C ATOM 883 O ARG A 58 1.355 -6.104 13.352 1.00 1.53 O ATOM 884 CB ARG A 58 0.939 -3.412 14.116 1.00 1.14 C ATOM 885 CG ARG A 58 2.339 -3.298 14.731 1.00 1.22 C ATOM 886 CD ARG A 58 2.272 -2.918 16.216 1.00 1.70 C ATOM 887 NE ARG A 58 2.212 -4.098 17.092 1.00 2.56 N ATOM 888 CZ ARG A 58 2.310 -4.058 18.429 1.00 3.26 C ATOM 889 NH1 ARG A 58 2.401 -5.187 19.133 1.00 4.68 N ATOM 890 NH2 ARG A 58 2.327 -2.883 19.062 1.00 3.40 N ATOM 0 H ARG A 58 0.323 -2.535 11.155 1.00 0.88 H new ATOM 0 HA ARG A 58 1.985 -3.525 12.255 1.00 0.91 H new ATOM 0 HB2 ARG A 58 0.425 -2.454 14.194 1.00 1.14 H new ATOM 0 HB3 ARG A 58 0.350 -4.136 14.678 1.00 1.14 H new ATOM 0 HG2 ARG A 58 2.864 -4.247 14.621 1.00 1.22 H new ATOM 0 HG3 ARG A 58 2.916 -2.549 14.188 1.00 1.22 H new ATOM 0 HD2 ARG A 58 3.145 -2.320 16.475 1.00 1.70 H new ATOM 0 HD3 ARG A 58 1.395 -2.294 16.390 1.00 1.70 H new ATOM 0 HE ARG A 58 2.087 -5.010 16.652 1.00 2.56 H new ATOM 0 HH11 ARG A 58 2.396 -6.088 18.655 1.00 4.68 H new ATOM 0 HH12 ARG A 58 2.475 -5.150 20.150 1.00 4.68 H new ATOM 0 HH21 ARG A 58 2.265 -2.016 18.529 1.00 3.40 H new ATOM 0 HH22 ARG A 58 2.402 -2.853 20.079 1.00 3.40 H new ATOM 904 N VAL A 59 0.522 -5.810 11.280 1.00 0.62 N ATOM 905 CA VAL A 59 0.490 -7.209 10.888 1.00 0.58 C ATOM 906 C VAL A 59 1.562 -7.385 9.820 1.00 0.52 C ATOM 907 O VAL A 59 1.837 -6.450 9.067 1.00 0.53 O ATOM 908 CB VAL A 59 -0.906 -7.581 10.355 1.00 0.62 C ATOM 909 CG1 VAL A 59 -1.021 -9.080 10.055 1.00 1.30 C ATOM 910 CG2 VAL A 59 -1.995 -7.230 11.374 1.00 1.40 C ATOM 0 H VAL A 59 0.171 -5.186 10.554 1.00 0.62 H new ATOM 0 HA VAL A 59 0.687 -7.868 11.734 1.00 0.58 H new ATOM 0 HB VAL A 59 -1.042 -7.010 9.437 1.00 0.62 H new ATOM 0 HG11 VAL A 59 -2.021 -9.301 9.681 1.00 1.30 H new ATOM 0 HG12 VAL A 59 -0.283 -9.358 9.303 1.00 1.30 H new ATOM 0 HG13 VAL A 59 -0.841 -9.649 10.967 1.00 1.30 H new ATOM 0 HG21 VAL A 59 -2.971 -7.503 10.972 1.00 1.40 H new ATOM 0 HG22 VAL A 59 -1.817 -7.778 12.300 1.00 1.40 H new ATOM 0 HG23 VAL A 59 -1.973 -6.159 11.576 1.00 1.40 H new ATOM 920 N ASP A 60 2.178 -8.564 9.774 1.00 0.53 N ATOM 921 CA ASP A 60 3.153 -8.921 8.756 1.00 0.52 C ATOM 922 C ASP A 60 2.466 -8.985 7.388 1.00 0.59 C ATOM 923 O ASP A 60 1.269 -9.261 7.313 1.00 0.73 O ATOM 924 CB ASP A 60 3.766 -10.275 9.132 1.00 0.67 C ATOM 925 CG ASP A 60 5.116 -10.495 8.463 1.00 0.75 C ATOM 926 OD1 ASP A 60 5.227 -10.197 7.255 1.00 1.69 O ATOM 927 OD2 ASP A 60 6.053 -10.891 9.195 1.00 1.68 O ATOM 0 H ASP A 60 2.009 -9.306 10.454 1.00 0.53 H new ATOM 0 HA ASP A 60 3.944 -8.173 8.698 1.00 0.52 H new ATOM 0 HB2 ASP A 60 3.884 -10.332 10.214 1.00 0.67 H new ATOM 0 HB3 ASP A 60 3.084 -11.075 8.843 1.00 0.67 H new ATOM 932 N ILE A 61 3.204 -8.732 6.309 1.00 0.54 N ATOM 933 CA ILE A 61 2.695 -8.796 4.951 1.00 0.62 C ATOM 934 C ILE A 61 3.472 -9.719 4.015 1.00 0.74 C ATOM 935 O ILE A 61 3.002 -9.979 2.908 1.00 0.87 O ATOM 936 CB ILE A 61 2.656 -7.399 4.355 1.00 0.60 C ATOM 937 CG1 ILE A 61 4.075 -6.842 4.188 1.00 0.61 C ATOM 938 CG2 ILE A 61 1.800 -6.464 5.210 1.00 0.55 C ATOM 939 CD1 ILE A 61 3.971 -5.495 3.506 1.00 0.66 C ATOM 0 H ILE A 61 4.189 -8.473 6.361 1.00 0.54 H new ATOM 0 HA ILE A 61 1.697 -9.226 5.035 1.00 0.62 H new ATOM 0 HB ILE A 61 2.198 -7.464 3.368 1.00 0.60 H new ATOM 0 HG12 ILE A 61 4.562 -6.741 5.158 1.00 0.61 H new ATOM 0 HG13 ILE A 61 4.685 -7.524 3.595 1.00 0.61 H new ATOM 0 HG21 ILE A 61 1.788 -5.470 4.762 1.00 0.55 H new ATOM 0 HG22 ILE A 61 0.782 -6.850 5.264 1.00 0.55 H new ATOM 0 HG23 ILE A 61 2.219 -6.404 6.215 1.00 0.55 H new ATOM 0 HD11 ILE A 61 4.969 -5.076 3.375 1.00 0.66 H new ATOM 0 HD12 ILE A 61 3.497 -5.616 2.532 1.00 0.66 H new ATOM 0 HD13 ILE A 61 3.372 -4.822 4.120 1.00 0.66 H new ATOM 951 N GLU A 62 4.671 -10.151 4.403 1.00 0.76 N ATOM 952 CA GLU A 62 5.459 -11.078 3.597 1.00 0.96 C ATOM 953 C GLU A 62 4.619 -12.299 3.215 1.00 1.14 C ATOM 954 O GLU A 62 3.887 -12.850 4.034 1.00 1.64 O ATOM 955 CB GLU A 62 6.729 -11.517 4.343 1.00 1.01 C ATOM 956 CG GLU A 62 7.585 -12.467 3.486 1.00 1.36 C ATOM 957 CD GLU A 62 8.722 -13.148 4.247 1.00 1.56 C ATOM 958 OE1 GLU A 62 9.270 -12.523 5.183 1.00 2.02 O ATOM 959 OE2 GLU A 62 9.036 -14.297 3.850 1.00 2.72 O ATOM 0 H GLU A 62 5.119 -9.871 5.276 1.00 0.76 H new ATOM 0 HA GLU A 62 5.762 -10.560 2.687 1.00 0.96 H new ATOM 0 HB2 GLU A 62 7.316 -10.639 4.612 1.00 1.01 H new ATOM 0 HB3 GLU A 62 6.453 -12.013 5.273 1.00 1.01 H new ATOM 0 HG2 GLU A 62 6.939 -13.234 3.059 1.00 1.36 H new ATOM 0 HG3 GLU A 62 8.007 -11.905 2.653 1.00 1.36 H new