USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=9 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 51 ASN : amide:sc= 0.311 K(o=1.1,f=-5.2) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -152:sc= 0.772 (180deg=0) USER MOD Set 2.1: A 17 CYS SG : rot -160:sc= -5.27! USER MOD Set 2.2: A 20 CYS SG : rot -41:sc= -6.92! USER MOD Set 2.3: A 40 HIS : no HD1:sc= 0.635 K(o=-11,f=-18!) USER MOD Set 2.4: A 43 CYS SG : rot 125:sc= 0.826 USER MOD Set 3.1: A 37 HIS : no HD1:sc= -0.601 X(o=-0.23,f=-0.59) USER MOD Set 3.2: A 54 CYS SG : rot -169:sc= 0.371 USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= 0.365 (180deg=-0.0295) USER MOD Single : A 18 THR OG1 : rot -27:sc= 0.0883 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 X(o=0,f=-0.34) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 90:sc= 0.745 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 200 N GLU A 15 -9.040 4.002 -2.859 1.00 1.35 N ATOM 201 CA GLU A 15 -7.717 3.422 -2.951 1.00 1.26 C ATOM 202 C GLU A 15 -6.662 4.526 -2.943 1.00 1.01 C ATOM 203 O GLU A 15 -6.464 5.267 -3.908 1.00 0.90 O ATOM 204 CB GLU A 15 -7.642 2.450 -4.134 1.00 1.48 C ATOM 205 CG GLU A 15 -8.151 2.994 -5.478 1.00 1.85 C ATOM 206 CD GLU A 15 -7.974 1.956 -6.595 1.00 2.18 C ATOM 207 OE1 GLU A 15 -8.539 2.181 -7.687 1.00 2.27 O ATOM 208 OE2 GLU A 15 -7.279 0.941 -6.345 1.00 3.48 O ATOM 0 HA GLU A 15 -7.500 2.812 -2.075 1.00 1.26 H new ATOM 0 HB2 GLU A 15 -6.605 2.138 -4.259 1.00 1.48 H new ATOM 0 HB3 GLU A 15 -8.215 1.557 -3.884 1.00 1.48 H new ATOM 0 HG2 GLU A 15 -9.204 3.263 -5.390 1.00 1.85 H new ATOM 0 HG3 GLU A 15 -7.610 3.905 -5.734 1.00 1.85 H new ATOM 215 N LYS A 16 -5.966 4.637 -1.810 1.00 1.03 N ATOM 216 CA LYS A 16 -4.919 5.602 -1.596 1.00 0.88 C ATOM 217 C LYS A 16 -3.674 4.848 -1.186 1.00 0.89 C ATOM 218 O LYS A 16 -3.703 4.028 -0.269 1.00 1.10 O ATOM 219 CB LYS A 16 -5.353 6.582 -0.502 1.00 1.13 C ATOM 220 CG LYS A 16 -4.528 7.854 -0.588 1.00 1.97 C ATOM 221 CD LYS A 16 -4.882 8.854 0.518 1.00 1.70 C ATOM 222 CE LYS A 16 -5.011 10.253 -0.095 1.00 1.87 C ATOM 223 NZ LYS A 16 -4.907 11.319 0.921 1.00 2.65 N ATOM 0 H LYS A 16 -6.130 4.036 -1.002 1.00 1.03 H new ATOM 0 HA LYS A 16 -4.716 6.174 -2.501 1.00 0.88 H new ATOM 0 HB2 LYS A 16 -6.412 6.817 -0.612 1.00 1.13 H new ATOM 0 HB3 LYS A 16 -5.228 6.123 0.479 1.00 1.13 H new ATOM 0 HG2 LYS A 16 -3.469 7.603 -0.522 1.00 1.97 H new ATOM 0 HG3 LYS A 16 -4.685 8.321 -1.560 1.00 1.97 H new ATOM 0 HD2 LYS A 16 -5.817 8.567 1.000 1.00 1.70 H new ATOM 0 HD3 LYS A 16 -4.112 8.851 1.289 1.00 1.70 H new ATOM 0 HE2 LYS A 16 -4.233 10.392 -0.846 1.00 1.87 H new ATOM 0 HE3 LYS A 16 -5.969 10.336 -0.609 1.00 1.87 H new ATOM 0 HZ1 LYS A 16 -5.510 12.121 0.646 1.00 2.65 H new ATOM 0 HZ2 LYS A 16 -5.219 10.952 1.843 1.00 2.65 H new ATOM 0 HZ3 LYS A 16 -3.919 11.637 0.991 1.00 2.65 H new ATOM 237 N CYS A 17 -2.571 5.186 -1.834 1.00 0.76 N ATOM 238 CA CYS A 17 -1.242 4.856 -1.368 1.00 0.80 C ATOM 239 C CYS A 17 -1.103 5.537 -0.013 1.00 0.75 C ATOM 240 O CYS A 17 -0.774 6.716 0.046 1.00 0.94 O ATOM 241 CB CYS A 17 -0.257 5.475 -2.365 1.00 0.75 C ATOM 242 SG CYS A 17 1.480 5.122 -1.972 1.00 0.95 S ATOM 0 H CYS A 17 -2.578 5.705 -2.712 1.00 0.76 H new ATOM 0 HA CYS A 17 -1.059 3.785 -1.285 1.00 0.80 H new ATOM 0 HB2 CYS A 17 -0.479 5.101 -3.364 1.00 0.75 H new ATOM 0 HB3 CYS A 17 -0.405 6.555 -2.388 1.00 0.75 H new ATOM 0 HG CYS A 17 2.244 5.992 -2.563 1.00 0.95 H new ATOM 247 N THR A 18 -1.346 4.832 1.092 1.00 0.58 N ATOM 248 CA THR A 18 -1.184 5.460 2.397 1.00 0.62 C ATOM 249 C THR A 18 0.275 5.838 2.657 1.00 0.54 C ATOM 250 O THR A 18 0.544 6.596 3.581 1.00 0.58 O ATOM 251 CB THR A 18 -1.737 4.577 3.516 1.00 0.70 C ATOM 252 OG1 THR A 18 -1.959 5.351 4.675 1.00 0.83 O ATOM 253 CG2 THR A 18 -0.766 3.455 3.863 1.00 0.67 C ATOM 0 H THR A 18 -1.646 3.857 1.110 1.00 0.58 H new ATOM 0 HA THR A 18 -1.766 6.381 2.389 1.00 0.62 H new ATOM 0 HB THR A 18 -2.673 4.144 3.163 1.00 0.70 H new ATOM 0 HG1 THR A 18 -1.353 6.121 4.675 1.00 0.83 H new ATOM 0 HG21 THR A 18 -1.186 2.844 4.662 1.00 0.67 H new ATOM 0 HG22 THR A 18 -0.597 2.835 2.983 1.00 0.67 H new ATOM 0 HG23 THR A 18 0.181 3.882 4.193 1.00 0.67 H new ATOM 261 N ILE A 19 1.213 5.276 1.891 1.00 0.47 N ATOM 262 CA ILE A 19 2.633 5.489 2.055 1.00 0.47 C ATOM 263 C ILE A 19 2.993 6.895 1.569 1.00 0.54 C ATOM 264 O ILE A 19 3.634 7.643 2.299 1.00 0.66 O ATOM 265 CB ILE A 19 3.358 4.370 1.300 1.00 0.41 C ATOM 266 CG1 ILE A 19 3.131 3.026 2.018 1.00 0.47 C ATOM 267 CG2 ILE A 19 4.850 4.665 1.208 1.00 0.45 C ATOM 268 CD1 ILE A 19 3.080 1.890 1.003 1.00 0.56 C ATOM 0 H ILE A 19 0.988 4.645 1.122 1.00 0.47 H new ATOM 0 HA ILE A 19 2.943 5.443 3.099 1.00 0.47 H new ATOM 0 HB ILE A 19 2.954 4.312 0.289 1.00 0.41 H new ATOM 0 HG12 ILE A 19 3.933 2.848 2.734 1.00 0.47 H new ATOM 0 HG13 ILE A 19 2.200 3.060 2.584 1.00 0.47 H new ATOM 0 HG21 ILE A 19 5.348 3.859 0.669 1.00 0.45 H new ATOM 0 HG22 ILE A 19 5.003 5.605 0.678 1.00 0.45 H new ATOM 0 HG23 ILE A 19 5.268 4.742 2.212 1.00 0.45 H new ATOM 0 HD11 ILE A 19 2.919 0.945 1.522 1.00 0.56 H new ATOM 0 HD12 ILE A 19 2.262 2.063 0.304 1.00 0.56 H new ATOM 0 HD13 ILE A 19 4.022 1.848 0.456 1.00 0.56 H new ATOM 280 N CYS A 20 2.582 7.262 0.348 1.00 0.55 N ATOM 281 CA CYS A 20 2.784 8.609 -0.179 1.00 0.67 C ATOM 282 C CYS A 20 1.526 9.467 0.040 1.00 0.56 C ATOM 283 O CYS A 20 1.459 10.597 -0.438 1.00 0.58 O ATOM 284 CB CYS A 20 3.168 8.518 -1.668 1.00 0.96 C ATOM 285 SG CYS A 20 1.944 7.628 -2.675 1.00 1.21 S ATOM 0 H CYS A 20 2.103 6.633 -0.296 1.00 0.55 H new ATOM 0 HA CYS A 20 3.599 9.097 0.355 1.00 0.67 H new ATOM 0 HB2 CYS A 20 3.292 9.525 -2.066 1.00 0.96 H new ATOM 0 HB3 CYS A 20 4.133 8.019 -1.757 1.00 0.96 H new ATOM 0 HG CYS A 20 1.513 6.592 -2.019 1.00 1.21 H new ATOM 290 N LEU A 21 0.534 8.940 0.769 1.00 0.57 N ATOM 291 CA LEU A 21 -0.761 9.543 1.074 1.00 0.60 C ATOM 292 C LEU A 21 -1.437 10.136 -0.159 1.00 0.64 C ATOM 293 O LEU A 21 -2.215 11.087 -0.046 1.00 0.89 O ATOM 294 CB LEU A 21 -0.590 10.563 2.206 1.00 0.67 C ATOM 295 CG LEU A 21 -0.125 9.890 3.504 1.00 0.71 C ATOM 296 CD1 LEU A 21 0.353 10.963 4.470 1.00 0.84 C ATOM 297 CD2 LEU A 21 -1.263 9.097 4.150 1.00 0.75 C ATOM 0 H LEU A 21 0.626 8.015 1.189 1.00 0.57 H new ATOM 0 HA LEU A 21 -1.439 8.760 1.414 1.00 0.60 H new ATOM 0 HB2 LEU A 21 0.135 11.321 1.908 1.00 0.67 H new ATOM 0 HB3 LEU A 21 -1.535 11.077 2.380 1.00 0.67 H new ATOM 0 HG LEU A 21 0.684 9.198 3.270 1.00 0.71 H new ATOM 0 HD11 LEU A 21 0.686 10.496 5.397 1.00 0.84 H new ATOM 0 HD12 LEU A 21 1.181 11.513 4.023 1.00 0.84 H new ATOM 0 HD13 LEU A 21 -0.465 11.651 4.684 1.00 0.84 H new ATOM 0 HD21 LEU A 21 -0.906 8.630 5.068 1.00 0.75 H new ATOM 0 HD22 LEU A 21 -2.089 9.769 4.382 1.00 0.75 H new ATOM 0 HD23 LEU A 21 -1.606 8.326 3.461 1.00 0.75 H new ATOM 309 N SER A 22 -1.212 9.523 -1.321 1.00 0.64 N ATOM 310 CA SER A 22 -1.630 10.038 -2.613 1.00 0.71 C ATOM 311 C SER A 22 -2.620 9.052 -3.222 1.00 0.66 C ATOM 312 O SER A 22 -2.493 7.846 -3.015 1.00 0.64 O ATOM 313 CB SER A 22 -0.391 10.218 -3.496 1.00 0.80 C ATOM 314 OG SER A 22 -0.546 11.352 -4.320 1.00 1.42 O ATOM 0 H SER A 22 -0.721 8.631 -1.385 1.00 0.64 H new ATOM 0 HA SER A 22 -2.120 11.007 -2.518 1.00 0.71 H new ATOM 0 HB2 SER A 22 0.496 10.330 -2.873 1.00 0.80 H new ATOM 0 HB3 SER A 22 -0.240 9.330 -4.110 1.00 0.80 H new ATOM 0 HG SER A 22 0.251 11.461 -4.880 1.00 1.42 H new ATOM 320 N ILE A 23 -3.648 9.542 -3.911 1.00 0.67 N ATOM 321 CA ILE A 23 -4.626 8.682 -4.543 1.00 0.68 C ATOM 322 C ILE A 23 -3.977 7.994 -5.743 1.00 0.63 C ATOM 323 O ILE A 23 -3.004 8.492 -6.306 1.00 0.64 O ATOM 324 CB ILE A 23 -5.846 9.539 -4.913 1.00 0.76 C ATOM 325 CG1 ILE A 23 -6.605 9.965 -3.643 1.00 0.95 C ATOM 326 CG2 ILE A 23 -6.785 8.859 -5.903 1.00 0.81 C ATOM 327 CD1 ILE A 23 -7.425 8.837 -3.001 1.00 1.75 C ATOM 0 H ILE A 23 -3.819 10.539 -4.042 1.00 0.67 H new ATOM 0 HA ILE A 23 -4.971 7.891 -3.878 1.00 0.68 H new ATOM 0 HB ILE A 23 -5.463 10.425 -5.420 1.00 0.76 H new ATOM 0 HG12 ILE A 23 -5.889 10.341 -2.913 1.00 0.95 H new ATOM 0 HG13 ILE A 23 -7.272 10.791 -3.890 1.00 0.95 H new ATOM 0 HG21 ILE A 23 -7.625 9.519 -6.120 1.00 0.81 H new ATOM 0 HG22 ILE A 23 -6.246 8.642 -6.825 1.00 0.81 H new ATOM 0 HG23 ILE A 23 -7.157 7.929 -5.472 1.00 0.81 H new ATOM 0 HD11 ILE A 23 -7.930 9.215 -2.112 1.00 1.75 H new ATOM 0 HD12 ILE A 23 -8.166 8.475 -3.714 1.00 1.75 H new ATOM 0 HD13 ILE A 23 -6.761 8.019 -2.721 1.00 1.75 H new ATOM 339 N LEU A 24 -4.513 6.823 -6.074 1.00 0.65 N ATOM 340 CA LEU A 24 -4.090 5.977 -7.175 1.00 0.64 C ATOM 341 C LEU A 24 -4.979 6.277 -8.390 1.00 0.66 C ATOM 342 O LEU A 24 -5.498 7.382 -8.521 1.00 0.72 O ATOM 343 CB LEU A 24 -4.217 4.529 -6.672 1.00 0.69 C ATOM 344 CG LEU A 24 -3.350 4.286 -5.426 1.00 0.76 C ATOM 345 CD1 LEU A 24 -3.752 2.974 -4.767 1.00 0.81 C ATOM 346 CD2 LEU A 24 -1.880 4.268 -5.823 1.00 0.77 C ATOM 0 H LEU A 24 -5.293 6.422 -5.553 1.00 0.65 H new ATOM 0 HA LEU A 24 -3.062 6.153 -7.492 1.00 0.64 H new ATOM 0 HB2 LEU A 24 -5.260 4.314 -6.438 1.00 0.69 H new ATOM 0 HB3 LEU A 24 -3.920 3.841 -7.463 1.00 0.69 H new ATOM 0 HG LEU A 24 -3.504 5.091 -4.708 1.00 0.76 H new ATOM 0 HD11 LEU A 24 -3.135 2.806 -3.884 1.00 0.81 H new ATOM 0 HD12 LEU A 24 -4.801 3.021 -4.473 1.00 0.81 H new ATOM 0 HD13 LEU A 24 -3.609 2.154 -5.471 1.00 0.81 H new ATOM 0 HD21 LEU A 24 -1.266 4.096 -4.939 1.00 0.77 H new ATOM 0 HD22 LEU A 24 -1.708 3.470 -6.545 1.00 0.77 H new ATOM 0 HD23 LEU A 24 -1.612 5.226 -6.270 1.00 0.77 H new ATOM 358 N GLU A 25 -5.203 5.305 -9.267 1.00 0.67 N ATOM 359 CA GLU A 25 -6.175 5.424 -10.344 1.00 0.74 C ATOM 360 C GLU A 25 -6.692 4.031 -10.717 1.00 0.77 C ATOM 361 O GLU A 25 -6.137 3.020 -10.283 1.00 0.82 O ATOM 362 CB GLU A 25 -5.592 6.188 -11.553 1.00 0.75 C ATOM 363 CG GLU A 25 -4.788 5.323 -12.538 1.00 0.80 C ATOM 364 CD GLU A 25 -4.097 6.140 -13.637 1.00 0.88 C ATOM 365 OE1 GLU A 25 -3.138 5.603 -14.238 1.00 1.83 O ATOM 366 OE2 GLU A 25 -4.560 7.271 -13.913 1.00 1.44 O ATOM 0 H GLU A 25 -4.714 4.410 -9.250 1.00 0.67 H new ATOM 0 HA GLU A 25 -7.022 6.018 -10.001 1.00 0.74 H new ATOM 0 HB2 GLU A 25 -6.411 6.663 -12.094 1.00 0.75 H new ATOM 0 HB3 GLU A 25 -4.948 6.986 -11.184 1.00 0.75 H new ATOM 0 HG2 GLU A 25 -4.036 4.760 -11.986 1.00 0.80 H new ATOM 0 HG3 GLU A 25 -5.455 4.596 -13.000 1.00 0.80 H new ATOM 373 N GLU A 26 -7.749 3.985 -11.532 1.00 0.86 N ATOM 374 CA GLU A 26 -8.402 2.760 -11.975 1.00 0.96 C ATOM 375 C GLU A 26 -7.382 1.822 -12.633 1.00 0.90 C ATOM 376 O GLU A 26 -7.012 2.011 -13.791 1.00 1.00 O ATOM 377 CB GLU A 26 -9.520 3.142 -12.961 1.00 1.22 C ATOM 378 CG GLU A 26 -10.296 1.948 -13.542 1.00 1.41 C ATOM 379 CD GLU A 26 -11.505 1.564 -12.692 1.00 1.81 C ATOM 380 OE1 GLU A 26 -11.310 0.768 -11.748 1.00 2.67 O ATOM 381 OE2 GLU A 26 -12.613 2.051 -13.017 1.00 2.90 O ATOM 0 H GLU A 26 -8.184 4.827 -11.911 1.00 0.86 H new ATOM 0 HA GLU A 26 -8.831 2.230 -11.125 1.00 0.96 H new ATOM 0 HB2 GLU A 26 -10.223 3.804 -12.455 1.00 1.22 H new ATOM 0 HB3 GLU A 26 -9.084 3.710 -13.783 1.00 1.22 H new ATOM 0 HG2 GLU A 26 -10.629 2.192 -14.551 1.00 1.41 H new ATOM 0 HG3 GLU A 26 -9.628 1.091 -13.625 1.00 1.41 H new ATOM 388 N GLY A 27 -6.952 0.784 -11.914 1.00 1.20 N ATOM 389 CA GLY A 27 -6.102 -0.254 -12.478 1.00 1.53 C ATOM 390 C GLY A 27 -4.635 0.163 -12.558 1.00 1.28 C ATOM 391 O GLY A 27 -3.915 -0.308 -13.436 1.00 1.44 O ATOM 0 H GLY A 27 -7.184 0.644 -10.931 1.00 1.20 H new ATOM 0 HA2 GLY A 27 -6.186 -1.156 -11.872 1.00 1.53 H new ATOM 0 HA3 GLY A 27 -6.458 -0.507 -13.477 1.00 1.53 H new ATOM 395 N GLU A 28 -4.181 1.023 -11.646 1.00 1.05 N ATOM 396 CA GLU A 28 -2.796 1.458 -11.587 1.00 0.85 C ATOM 397 C GLU A 28 -1.878 0.312 -11.147 1.00 0.67 C ATOM 398 O GLU A 28 -2.323 -0.744 -10.696 1.00 0.68 O ATOM 399 CB GLU A 28 -2.699 2.624 -10.595 1.00 0.79 C ATOM 400 CG GLU A 28 -1.638 3.656 -10.981 1.00 0.94 C ATOM 401 CD GLU A 28 -1.648 4.804 -9.977 1.00 1.52 C ATOM 402 OE1 GLU A 28 -2.322 5.825 -10.213 1.00 2.81 O ATOM 403 OE2 GLU A 28 -0.971 4.640 -8.943 1.00 2.17 O ATOM 0 H GLU A 28 -4.772 1.437 -10.925 1.00 1.05 H new ATOM 0 HA GLU A 28 -2.473 1.776 -12.578 1.00 0.85 H new ATOM 0 HB2 GLU A 28 -3.669 3.117 -10.528 1.00 0.79 H new ATOM 0 HB3 GLU A 28 -2.471 2.232 -9.604 1.00 0.79 H new ATOM 0 HG2 GLU A 28 -0.654 3.189 -11.004 1.00 0.94 H new ATOM 0 HG3 GLU A 28 -1.834 4.035 -11.984 1.00 0.94 H new ATOM 410 N ASP A 29 -0.570 0.533 -11.223 1.00 0.63 N ATOM 411 CA ASP A 29 0.431 -0.379 -10.694 1.00 0.56 C ATOM 412 C ASP A 29 0.395 -0.327 -9.165 1.00 0.47 C ATOM 413 O ASP A 29 1.008 0.533 -8.530 1.00 0.53 O ATOM 414 CB ASP A 29 1.826 0.004 -11.186 1.00 0.73 C ATOM 415 CG ASP A 29 1.940 -0.011 -12.704 1.00 1.55 C ATOM 416 OD1 ASP A 29 2.469 -1.019 -13.222 1.00 2.52 O ATOM 417 OD2 ASP A 29 1.503 0.991 -13.313 1.00 2.68 O ATOM 0 H ASP A 29 -0.172 1.364 -11.661 1.00 0.63 H new ATOM 0 HA ASP A 29 0.209 -1.388 -11.041 1.00 0.56 H new ATOM 0 HB2 ASP A 29 2.076 0.999 -10.817 1.00 0.73 H new ATOM 0 HB3 ASP A 29 2.557 -0.686 -10.764 1.00 0.73 H new ATOM 422 N VAL A 30 -0.320 -1.267 -8.560 1.00 0.46 N ATOM 423 CA VAL A 30 -0.542 -1.384 -7.132 1.00 0.45 C ATOM 424 C VAL A 30 -0.351 -2.849 -6.763 1.00 0.45 C ATOM 425 O VAL A 30 -0.057 -3.686 -7.617 1.00 0.60 O ATOM 426 CB VAL A 30 -1.931 -0.840 -6.743 1.00 0.55 C ATOM 427 CG1 VAL A 30 -2.030 0.663 -7.029 1.00 0.65 C ATOM 428 CG2 VAL A 30 -3.075 -1.579 -7.446 1.00 0.67 C ATOM 0 H VAL A 30 -0.785 -2.007 -9.086 1.00 0.46 H new ATOM 0 HA VAL A 30 0.170 -0.779 -6.571 1.00 0.45 H new ATOM 0 HB VAL A 30 -2.038 -1.013 -5.672 1.00 0.55 H new ATOM 0 HG11 VAL A 30 -3.019 1.023 -6.746 1.00 0.65 H new ATOM 0 HG12 VAL A 30 -1.272 1.194 -6.453 1.00 0.65 H new ATOM 0 HG13 VAL A 30 -1.869 0.842 -8.092 1.00 0.65 H new ATOM 0 HG21 VAL A 30 -4.029 -1.154 -7.134 1.00 0.67 H new ATOM 0 HG22 VAL A 30 -2.967 -1.474 -8.526 1.00 0.67 H new ATOM 0 HG23 VAL A 30 -3.044 -2.635 -7.179 1.00 0.67 H new ATOM 438 N ARG A 31 -0.485 -3.168 -5.482 1.00 0.46 N ATOM 439 CA ARG A 31 -0.179 -4.468 -4.926 1.00 0.44 C ATOM 440 C ARG A 31 -1.087 -4.669 -3.720 1.00 0.44 C ATOM 441 O ARG A 31 -1.721 -3.725 -3.241 1.00 0.55 O ATOM 442 CB ARG A 31 1.304 -4.492 -4.512 1.00 0.57 C ATOM 443 CG ARG A 31 2.210 -5.172 -5.549 1.00 0.86 C ATOM 444 CD ARG A 31 2.527 -6.624 -5.172 1.00 1.16 C ATOM 445 NE ARG A 31 3.543 -6.696 -4.108 1.00 1.73 N ATOM 446 CZ ARG A 31 3.990 -7.821 -3.533 1.00 2.32 C ATOM 447 NH1 ARG A 31 4.994 -7.770 -2.655 1.00 3.70 N ATOM 448 NH2 ARG A 31 3.439 -8.995 -3.839 1.00 2.34 N ATOM 0 H ARG A 31 -0.821 -2.504 -4.784 1.00 0.46 H new ATOM 0 HA ARG A 31 -0.345 -5.269 -5.647 1.00 0.44 H new ATOM 0 HB2 ARG A 31 1.647 -3.470 -4.354 1.00 0.57 H new ATOM 0 HB3 ARG A 31 1.400 -5.011 -3.559 1.00 0.57 H new ATOM 0 HG2 ARG A 31 1.725 -5.149 -6.525 1.00 0.86 H new ATOM 0 HG3 ARG A 31 3.140 -4.610 -5.642 1.00 0.86 H new ATOM 0 HD2 ARG A 31 1.616 -7.122 -4.841 1.00 1.16 H new ATOM 0 HD3 ARG A 31 2.882 -7.160 -6.052 1.00 1.16 H new ATOM 0 HE ARG A 31 3.940 -5.815 -3.781 1.00 1.73 H new ATOM 0 HH11 ARG A 31 5.422 -6.874 -2.421 1.00 3.70 H new ATOM 0 HH12 ARG A 31 5.333 -8.627 -2.218 1.00 3.70 H new ATOM 0 HH21 ARG A 31 2.675 -9.039 -4.513 1.00 2.34 H new ATOM 0 HH22 ARG A 31 3.782 -9.849 -3.399 1.00 2.34 H new ATOM 462 N ARG A 32 -1.131 -5.898 -3.210 1.00 0.55 N ATOM 463 CA ARG A 32 -2.013 -6.287 -2.125 1.00 0.61 C ATOM 464 C ARG A 32 -1.166 -6.903 -1.023 1.00 0.60 C ATOM 465 O ARG A 32 -0.147 -7.527 -1.310 1.00 0.89 O ATOM 466 CB ARG A 32 -3.064 -7.270 -2.673 1.00 0.82 C ATOM 467 CG ARG A 32 -3.902 -7.955 -1.585 1.00 1.48 C ATOM 468 CD ARG A 32 -4.720 -6.944 -0.780 1.00 0.63 C ATOM 469 NE ARG A 32 -6.015 -6.664 -1.426 1.00 1.30 N ATOM 470 CZ ARG A 32 -6.788 -5.599 -1.180 1.00 2.35 C ATOM 471 NH1 ARG A 32 -8.026 -5.524 -1.668 1.00 2.81 N ATOM 472 NH2 ARG A 32 -6.320 -4.607 -0.434 1.00 3.75 N ATOM 0 H ARG A 32 -0.543 -6.660 -3.548 1.00 0.55 H new ATOM 0 HA ARG A 32 -2.545 -5.432 -1.708 1.00 0.61 H new ATOM 0 HB2 ARG A 32 -3.731 -6.734 -3.348 1.00 0.82 H new ATOM 0 HB3 ARG A 32 -2.559 -8.034 -3.264 1.00 0.82 H new ATOM 0 HG2 ARG A 32 -4.572 -8.681 -2.045 1.00 1.48 H new ATOM 0 HG3 ARG A 32 -3.245 -8.508 -0.914 1.00 1.48 H new ATOM 0 HD2 ARG A 32 -4.889 -7.329 0.226 1.00 0.63 H new ATOM 0 HD3 ARG A 32 -4.156 -6.017 -0.676 1.00 0.63 H new ATOM 0 HE ARG A 32 -6.349 -7.336 -2.116 1.00 1.30 H new ATOM 0 HH11 ARG A 32 -8.397 -6.285 -2.238 1.00 2.81 H new ATOM 0 HH12 ARG A 32 -8.603 -4.706 -1.472 1.00 2.81 H new ATOM 0 HH21 ARG A 32 -5.376 -4.658 -0.051 1.00 3.75 H new ATOM 0 HH22 ARG A 32 -6.904 -3.793 -0.243 1.00 3.75 H new ATOM 486 N LEU A 33 -1.600 -6.726 0.225 1.00 0.49 N ATOM 487 CA LEU A 33 -0.985 -7.262 1.424 1.00 0.44 C ATOM 488 C LEU A 33 -2.096 -7.844 2.298 1.00 0.40 C ATOM 489 O LEU A 33 -3.263 -7.511 2.087 1.00 0.44 O ATOM 490 CB LEU A 33 -0.189 -6.173 2.172 1.00 0.42 C ATOM 491 CG LEU A 33 -0.611 -4.727 1.881 1.00 0.47 C ATOM 492 CD1 LEU A 33 -0.315 -3.854 3.096 1.00 0.55 C ATOM 493 CD2 LEU A 33 0.188 -4.151 0.710 1.00 0.79 C ATOM 0 H LEU A 33 -2.434 -6.175 0.430 1.00 0.49 H new ATOM 0 HA LEU A 33 -0.271 -8.044 1.165 1.00 0.44 H new ATOM 0 HB2 LEU A 33 -0.282 -6.351 3.243 1.00 0.42 H new ATOM 0 HB3 LEU A 33 0.866 -6.282 1.921 1.00 0.42 H new ATOM 0 HG LEU A 33 -1.675 -4.734 1.644 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -0.615 -2.827 2.888 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.871 -4.227 3.956 1.00 0.55 H new ATOM 0 HD13 LEU A 33 0.753 -3.883 3.313 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.129 -3.125 0.523 1.00 0.79 H new ATOM 0 HD22 LEU A 33 1.250 -4.164 0.953 1.00 0.79 H new ATOM 0 HD23 LEU A 33 0.013 -4.753 -0.181 1.00 0.79 H new ATOM 505 N PRO A 34 -1.762 -8.693 3.283 1.00 0.43 N ATOM 506 CA PRO A 34 -2.747 -9.429 4.066 1.00 0.54 C ATOM 507 C PRO A 34 -3.591 -8.517 4.963 1.00 0.59 C ATOM 508 O PRO A 34 -4.701 -8.884 5.332 1.00 0.75 O ATOM 509 CB PRO A 34 -1.957 -10.473 4.858 1.00 0.64 C ATOM 510 CG PRO A 34 -0.548 -9.896 4.945 1.00 0.56 C ATOM 511 CD PRO A 34 -0.407 -9.016 3.705 1.00 0.45 C ATOM 0 HA PRO A 34 -3.481 -9.907 3.418 1.00 0.54 H new ATOM 0 HB2 PRO A 34 -2.385 -10.628 5.848 1.00 0.64 H new ATOM 0 HB3 PRO A 34 -1.960 -11.440 4.355 1.00 0.64 H new ATOM 0 HG2 PRO A 34 -0.414 -9.316 5.858 1.00 0.56 H new ATOM 0 HG3 PRO A 34 0.203 -10.686 4.956 1.00 0.56 H new ATOM 0 HD2 PRO A 34 0.157 -8.111 3.931 1.00 0.45 H new ATOM 0 HD3 PRO A 34 0.133 -9.539 2.915 1.00 0.45 H new ATOM 519 N CYS A 35 -3.124 -7.293 5.239 1.00 0.58 N ATOM 520 CA CYS A 35 -3.900 -6.241 5.898 1.00 0.72 C ATOM 521 C CYS A 35 -5.102 -5.796 5.031 1.00 0.74 C ATOM 522 O CYS A 35 -5.855 -4.912 5.424 1.00 1.33 O ATOM 523 CB CYS A 35 -2.919 -5.079 6.166 1.00 1.11 C ATOM 524 SG CYS A 35 -3.673 -3.666 7.030 1.00 1.61 S ATOM 0 H CYS A 35 -2.175 -7.002 5.004 1.00 0.58 H new ATOM 0 HA CYS A 35 -4.333 -6.600 6.832 1.00 0.72 H new ATOM 0 HB2 CYS A 35 -2.083 -5.451 6.758 1.00 1.11 H new ATOM 0 HB3 CYS A 35 -2.509 -4.736 5.216 1.00 1.11 H new ATOM 529 N MET A 36 -5.303 -6.362 3.833 1.00 0.60 N ATOM 530 CA MET A 36 -6.345 -5.938 2.901 1.00 0.70 C ATOM 531 C MET A 36 -6.198 -4.450 2.557 1.00 0.67 C ATOM 532 O MET A 36 -7.129 -3.808 2.072 1.00 1.07 O ATOM 533 CB MET A 36 -7.733 -6.312 3.448 1.00 0.89 C ATOM 534 CG MET A 36 -7.873 -7.834 3.548 1.00 2.13 C ATOM 535 SD MET A 36 -8.359 -8.636 1.996 1.00 3.71 S ATOM 536 CE MET A 36 -10.160 -8.593 2.204 1.00 4.51 C ATOM 0 H MET A 36 -4.737 -7.136 3.484 1.00 0.60 H new ATOM 0 HA MET A 36 -6.231 -6.473 1.958 1.00 0.70 H new ATOM 0 HB2 MET A 36 -7.878 -5.861 4.430 1.00 0.89 H new ATOM 0 HB3 MET A 36 -8.509 -5.911 2.796 1.00 0.89 H new ATOM 0 HG2 MET A 36 -6.924 -8.254 3.880 1.00 2.13 H new ATOM 0 HG3 MET A 36 -8.612 -8.071 4.314 1.00 2.13 H new ATOM 0 HE1 MET A 36 -10.637 -9.048 1.336 1.00 4.51 H new ATOM 0 HE2 MET A 36 -10.436 -9.146 3.102 1.00 4.51 H new ATOM 0 HE3 MET A 36 -10.491 -7.559 2.299 1.00 4.51 H new ATOM 546 N HIS A 37 -4.982 -3.919 2.699 1.00 0.59 N ATOM 547 CA HIS A 37 -4.640 -2.572 2.280 1.00 0.53 C ATOM 548 C HIS A 37 -4.184 -2.652 0.814 1.00 0.53 C ATOM 549 O HIS A 37 -3.686 -3.696 0.382 1.00 0.90 O ATOM 550 CB HIS A 37 -3.585 -1.987 3.253 1.00 0.57 C ATOM 551 CG HIS A 37 -4.109 -0.836 4.094 1.00 0.85 C ATOM 552 ND1 HIS A 37 -3.934 -0.595 5.476 1.00 1.13 N ATOM 553 CD2 HIS A 37 -4.890 0.163 3.577 1.00 1.14 C ATOM 554 CE1 HIS A 37 -4.662 0.501 5.735 1.00 1.48 C ATOM 555 NE2 HIS A 37 -5.232 0.988 4.619 1.00 1.50 N ATOM 0 H HIS A 37 -4.201 -4.426 3.115 1.00 0.59 H new ATOM 0 HA HIS A 37 -5.485 -1.885 2.322 1.00 0.53 H new ATOM 0 HB2 HIS A 37 -3.233 -2.779 3.914 1.00 0.57 H new ATOM 0 HB3 HIS A 37 -2.724 -1.645 2.679 1.00 0.57 H new ATOM 0 HD2 HIS A 37 -5.182 0.280 2.544 1.00 1.14 H new ATOM 0 HE1 HIS A 37 -4.776 0.937 6.716 1.00 1.48 H new ATOM 0 HE2 HIS A 37 -5.815 1.823 4.558 1.00 1.50 H new ATOM 563 N LEU A 38 -4.431 -1.605 0.019 1.00 0.55 N ATOM 564 CA LEU A 38 -4.114 -1.537 -1.409 1.00 0.57 C ATOM 565 C LEU A 38 -3.071 -0.444 -1.540 1.00 0.49 C ATOM 566 O LEU A 38 -3.387 0.711 -1.268 1.00 0.56 O ATOM 567 CB LEU A 38 -5.370 -1.152 -2.225 1.00 0.80 C ATOM 568 CG LEU A 38 -5.834 -2.239 -3.203 1.00 1.57 C ATOM 569 CD1 LEU A 38 -7.211 -1.872 -3.763 1.00 1.91 C ATOM 570 CD2 LEU A 38 -4.860 -2.386 -4.372 1.00 2.86 C ATOM 0 H LEU A 38 -4.872 -0.753 0.366 1.00 0.55 H new ATOM 0 HA LEU A 38 -3.760 -2.497 -1.784 1.00 0.57 H new ATOM 0 HB2 LEU A 38 -6.184 -0.926 -1.536 1.00 0.80 H new ATOM 0 HB3 LEU A 38 -5.163 -0.239 -2.784 1.00 0.80 H new ATOM 0 HG LEU A 38 -5.879 -3.182 -2.658 1.00 1.57 H new ATOM 0 HD11 LEU A 38 -7.539 -2.645 -4.458 1.00 1.91 H new ATOM 0 HD12 LEU A 38 -7.927 -1.792 -2.945 1.00 1.91 H new ATOM 0 HD13 LEU A 38 -7.149 -0.918 -4.286 1.00 1.91 H new ATOM 0 HD21 LEU A 38 -5.217 -3.164 -5.047 1.00 2.86 H new ATOM 0 HD22 LEU A 38 -4.793 -1.441 -4.911 1.00 2.86 H new ATOM 0 HD23 LEU A 38 -3.875 -2.658 -3.993 1.00 2.86 H new ATOM 582 N PHE A 39 -1.837 -0.788 -1.905 1.00 0.45 N ATOM 583 CA PHE A 39 -0.729 0.159 -1.904 1.00 0.46 C ATOM 584 C PHE A 39 -0.077 0.147 -3.285 1.00 0.46 C ATOM 585 O PHE A 39 -0.068 -0.882 -3.951 1.00 0.64 O ATOM 586 CB PHE A 39 0.291 -0.227 -0.815 1.00 0.54 C ATOM 587 CG PHE A 39 -0.111 -0.073 0.651 1.00 0.60 C ATOM 588 CD1 PHE A 39 0.683 -0.685 1.639 1.00 2.08 C ATOM 589 CD2 PHE A 39 -1.226 0.684 1.060 1.00 1.88 C ATOM 590 CE1 PHE A 39 0.371 -0.557 3.003 1.00 2.14 C ATOM 591 CE2 PHE A 39 -1.575 0.765 2.419 1.00 1.95 C ATOM 592 CZ PHE A 39 -0.773 0.152 3.394 1.00 0.90 C ATOM 0 H PHE A 39 -1.580 -1.727 -2.208 1.00 0.45 H new ATOM 0 HA PHE A 39 -1.092 1.163 -1.685 1.00 0.46 H new ATOM 0 HB2 PHE A 39 0.567 -1.269 -0.975 1.00 0.54 H new ATOM 0 HB3 PHE A 39 1.189 0.369 -0.976 1.00 0.54 H new ATOM 0 HD1 PHE A 39 1.546 -1.263 1.344 1.00 2.08 H new ATOM 0 HD2 PHE A 39 -1.818 1.207 0.323 1.00 1.88 H new ATOM 0 HE1 PHE A 39 1.012 -1.004 3.749 1.00 2.14 H new ATOM 0 HE2 PHE A 39 -2.465 1.302 2.714 1.00 1.95 H new ATOM 0 HZ PHE A 39 -1.036 0.226 4.439 1.00 0.90 H new ATOM 602 N HIS A 40 0.484 1.281 -3.711 1.00 0.42 N ATOM 603 CA HIS A 40 1.308 1.396 -4.919 1.00 0.42 C ATOM 604 C HIS A 40 2.325 0.263 -4.981 1.00 0.39 C ATOM 605 O HIS A 40 2.889 -0.091 -3.954 1.00 0.47 O ATOM 606 CB HIS A 40 2.120 2.697 -4.831 1.00 0.63 C ATOM 607 CG HIS A 40 1.730 3.837 -5.717 1.00 0.59 C ATOM 608 ND1 HIS A 40 1.903 5.176 -5.367 1.00 0.80 N ATOM 609 CD2 HIS A 40 1.282 3.751 -6.999 1.00 0.70 C ATOM 610 CE1 HIS A 40 1.519 5.884 -6.437 1.00 1.08 C ATOM 611 NE2 HIS A 40 1.150 5.051 -7.427 1.00 1.01 N ATOM 0 H HIS A 40 0.376 2.166 -3.215 1.00 0.42 H new ATOM 0 HA HIS A 40 0.651 1.370 -5.789 1.00 0.42 H new ATOM 0 HB2 HIS A 40 2.076 3.047 -3.800 1.00 0.63 H new ATOM 0 HB3 HIS A 40 3.162 2.454 -5.041 1.00 0.63 H new ATOM 0 HD2 HIS A 40 1.074 2.852 -7.561 1.00 0.70 H new ATOM 0 HE1 HIS A 40 1.507 6.962 -6.496 1.00 1.08 H new ATOM 0 HE2 HIS A 40 0.824 5.339 -8.350 1.00 1.01 H new ATOM 619 N GLN A 41 2.647 -0.224 -6.179 1.00 0.38 N ATOM 620 CA GLN A 41 3.685 -1.223 -6.355 1.00 0.40 C ATOM 621 C GLN A 41 5.037 -0.653 -5.920 1.00 0.48 C ATOM 622 O GLN A 41 5.731 -1.265 -5.116 1.00 1.05 O ATOM 623 CB GLN A 41 3.680 -1.711 -7.811 1.00 0.47 C ATOM 624 CG GLN A 41 4.669 -2.865 -8.030 1.00 1.08 C ATOM 625 CD GLN A 41 4.018 -4.049 -8.741 1.00 0.95 C ATOM 626 OE1 GLN A 41 3.898 -5.129 -8.174 1.00 2.09 O ATOM 627 NE2 GLN A 41 3.575 -3.871 -9.980 1.00 1.53 N ATOM 0 H GLN A 41 2.195 0.065 -7.047 1.00 0.38 H new ATOM 0 HA GLN A 41 3.493 -2.089 -5.722 1.00 0.40 H new ATOM 0 HB2 GLN A 41 2.676 -2.037 -8.081 1.00 0.47 H new ATOM 0 HB3 GLN A 41 3.935 -0.883 -8.473 1.00 0.47 H new ATOM 0 HG2 GLN A 41 5.516 -2.510 -8.618 1.00 1.08 H new ATOM 0 HG3 GLN A 41 5.063 -3.192 -7.068 1.00 1.08 H new ATOM 0 HE21 GLN A 41 3.684 -2.965 -10.435 1.00 1.53 H new ATOM 0 HE22 GLN A 41 3.126 -4.640 -10.476 1.00 1.53 H new ATOM 636 N VAL A 42 5.415 0.521 -6.429 1.00 0.47 N ATOM 637 CA VAL A 42 6.696 1.143 -6.100 1.00 0.45 C ATOM 638 C VAL A 42 6.774 1.438 -4.600 1.00 0.43 C ATOM 639 O VAL A 42 7.687 0.978 -3.919 1.00 0.46 O ATOM 640 CB VAL A 42 6.900 2.403 -6.958 1.00 0.50 C ATOM 641 CG1 VAL A 42 8.199 3.134 -6.599 1.00 0.70 C ATOM 642 CG2 VAL A 42 6.955 2.020 -8.443 1.00 0.66 C ATOM 0 H VAL A 42 4.844 1.064 -7.077 1.00 0.47 H new ATOM 0 HA VAL A 42 7.509 0.455 -6.331 1.00 0.45 H new ATOM 0 HB VAL A 42 6.058 3.067 -6.761 1.00 0.50 H new ATOM 0 HG11 VAL A 42 8.305 4.018 -7.228 1.00 0.70 H new ATOM 0 HG12 VAL A 42 8.170 3.435 -5.552 1.00 0.70 H new ATOM 0 HG13 VAL A 42 9.047 2.469 -6.762 1.00 0.70 H new ATOM 0 HG21 VAL A 42 7.100 2.917 -9.045 1.00 0.66 H new ATOM 0 HG22 VAL A 42 7.784 1.333 -8.611 1.00 0.66 H new ATOM 0 HG23 VAL A 42 6.020 1.538 -8.729 1.00 0.66 H new ATOM 652 N CYS A 43 5.818 2.202 -4.070 1.00 0.43 N ATOM 653 CA CYS A 43 5.850 2.613 -2.674 1.00 0.43 C ATOM 654 C CYS A 43 5.871 1.383 -1.766 1.00 0.37 C ATOM 655 O CYS A 43 6.590 1.370 -0.771 1.00 0.35 O ATOM 656 CB CYS A 43 4.615 3.462 -2.367 1.00 0.49 C ATOM 657 SG CYS A 43 4.567 4.884 -3.494 1.00 0.65 S ATOM 0 H CYS A 43 5.012 2.547 -4.591 1.00 0.43 H new ATOM 0 HA CYS A 43 6.750 3.200 -2.492 1.00 0.43 H new ATOM 0 HB2 CYS A 43 3.711 2.863 -2.480 1.00 0.49 H new ATOM 0 HB3 CYS A 43 4.643 3.804 -1.333 1.00 0.49 H new ATOM 0 HG CYS A 43 3.430 4.901 -4.123 1.00 0.65 H new ATOM 662 N VAL A 44 5.075 0.353 -2.070 1.00 0.38 N ATOM 663 CA VAL A 44 5.049 -0.830 -1.236 1.00 0.36 C ATOM 664 C VAL A 44 6.303 -1.671 -1.404 1.00 0.32 C ATOM 665 O VAL A 44 6.622 -2.445 -0.512 1.00 0.30 O ATOM 666 CB VAL A 44 3.777 -1.652 -1.429 1.00 0.46 C ATOM 667 CG1 VAL A 44 3.857 -2.677 -2.551 1.00 0.51 C ATOM 668 CG2 VAL A 44 3.517 -2.432 -0.150 1.00 0.56 C ATOM 0 H VAL A 44 4.452 0.323 -2.877 1.00 0.38 H new ATOM 0 HA VAL A 44 5.036 -0.481 -0.203 1.00 0.36 H new ATOM 0 HB VAL A 44 2.992 -0.940 -1.682 1.00 0.46 H new ATOM 0 HG11 VAL A 44 2.912 -3.216 -2.619 1.00 0.51 H new ATOM 0 HG12 VAL A 44 4.054 -2.169 -3.495 1.00 0.51 H new ATOM 0 HG13 VAL A 44 4.663 -3.381 -2.344 1.00 0.51 H new ATOM 0 HG21 VAL A 44 2.611 -3.028 -0.265 1.00 0.56 H new ATOM 0 HG22 VAL A 44 4.361 -3.091 0.052 1.00 0.56 H new ATOM 0 HG23 VAL A 44 3.391 -1.737 0.681 1.00 0.56 H new ATOM 678 N ASP A 45 7.022 -1.546 -2.514 1.00 0.35 N ATOM 679 CA ASP A 45 8.326 -2.177 -2.630 1.00 0.38 C ATOM 680 C ASP A 45 9.220 -1.614 -1.532 1.00 0.34 C ATOM 681 O ASP A 45 9.708 -2.346 -0.673 1.00 0.39 O ATOM 682 CB ASP A 45 8.936 -1.963 -4.018 1.00 0.49 C ATOM 683 CG ASP A 45 10.161 -2.856 -4.172 1.00 1.06 C ATOM 684 OD1 ASP A 45 9.965 -4.090 -4.098 1.00 1.97 O ATOM 685 OD2 ASP A 45 11.265 -2.297 -4.343 1.00 2.27 O ATOM 0 H ASP A 45 6.726 -1.019 -3.336 1.00 0.35 H new ATOM 0 HA ASP A 45 8.226 -3.256 -2.509 1.00 0.38 H new ATOM 0 HB2 ASP A 45 8.203 -2.196 -4.790 1.00 0.49 H new ATOM 0 HB3 ASP A 45 9.215 -0.917 -4.148 1.00 0.49 H new ATOM 690 N GLN A 46 9.367 -0.289 -1.484 1.00 0.35 N ATOM 691 CA GLN A 46 10.166 0.327 -0.433 1.00 0.41 C ATOM 692 C GLN A 46 9.573 0.115 0.956 1.00 0.38 C ATOM 693 O GLN A 46 10.316 0.080 1.932 1.00 0.46 O ATOM 694 CB GLN A 46 10.401 1.814 -0.717 1.00 0.50 C ATOM 695 CG GLN A 46 11.288 2.002 -1.953 1.00 0.58 C ATOM 696 CD GLN A 46 11.664 3.469 -2.139 1.00 1.92 C ATOM 697 OE1 GLN A 46 11.004 4.208 -2.856 1.00 3.52 O ATOM 698 NE2 GLN A 46 12.729 3.924 -1.488 1.00 2.44 N ATOM 0 H GLN A 46 8.951 0.364 -2.148 1.00 0.35 H new ATOM 0 HA GLN A 46 11.132 -0.177 -0.438 1.00 0.41 H new ATOM 0 HB2 GLN A 46 9.445 2.314 -0.871 1.00 0.50 H new ATOM 0 HB3 GLN A 46 10.871 2.284 0.147 1.00 0.50 H new ATOM 0 HG2 GLN A 46 12.192 1.401 -1.851 1.00 0.58 H new ATOM 0 HG3 GLN A 46 10.765 1.642 -2.839 1.00 0.58 H new ATOM 0 HE21 GLN A 46 13.270 3.296 -0.893 1.00 2.44 H new ATOM 0 HE22 GLN A 46 13.006 4.901 -1.583 1.00 2.44 H new ATOM 707 N ALA A 47 8.259 -0.048 1.082 1.00 0.32 N ATOM 708 CA ALA A 47 7.657 -0.358 2.366 1.00 0.34 C ATOM 709 C ALA A 47 8.157 -1.718 2.854 1.00 0.30 C ATOM 710 O ALA A 47 8.740 -1.812 3.924 1.00 0.36 O ATOM 711 CB ALA A 47 6.139 -0.338 2.225 1.00 0.36 C ATOM 0 H ALA A 47 7.596 0.030 0.311 1.00 0.32 H new ATOM 0 HA ALA A 47 7.943 0.389 3.107 1.00 0.34 H new ATOM 0 HB1 ALA A 47 5.681 -0.570 3.187 1.00 0.36 H new ATOM 0 HB2 ALA A 47 5.817 0.651 1.899 1.00 0.36 H new ATOM 0 HB3 ALA A 47 5.832 -1.080 1.488 1.00 0.36 H new ATOM 717 N LEU A 48 7.949 -2.759 2.049 1.00 0.28 N ATOM 718 CA LEU A 48 8.335 -4.142 2.285 1.00 0.38 C ATOM 719 C LEU A 48 9.808 -4.225 2.676 1.00 0.44 C ATOM 720 O LEU A 48 10.147 -4.811 3.706 1.00 0.50 O ATOM 721 CB LEU A 48 8.043 -4.935 1.000 1.00 0.57 C ATOM 722 CG LEU A 48 8.413 -6.425 1.082 1.00 0.96 C ATOM 723 CD1 LEU A 48 7.175 -7.272 1.386 1.00 1.10 C ATOM 724 CD2 LEU A 48 9.033 -6.886 -0.237 1.00 1.71 C ATOM 0 H LEU A 48 7.473 -2.646 1.154 1.00 0.28 H new ATOM 0 HA LEU A 48 7.766 -4.566 3.112 1.00 0.38 H new ATOM 0 HB2 LEU A 48 6.982 -4.848 0.766 1.00 0.57 H new ATOM 0 HB3 LEU A 48 8.590 -4.481 0.174 1.00 0.57 H new ATOM 0 HG LEU A 48 9.136 -6.553 1.888 1.00 0.96 H new ATOM 0 HD11 LEU A 48 7.458 -8.323 1.440 1.00 1.10 H new ATOM 0 HD12 LEU A 48 6.747 -6.962 2.339 1.00 1.10 H new ATOM 0 HD13 LEU A 48 6.437 -7.135 0.595 1.00 1.10 H new ATOM 0 HD21 LEU A 48 9.291 -7.943 -0.168 1.00 1.71 H new ATOM 0 HD22 LEU A 48 8.318 -6.739 -1.046 1.00 1.71 H new ATOM 0 HD23 LEU A 48 9.933 -6.305 -0.439 1.00 1.71 H new ATOM 736 N ILE A 49 10.701 -3.675 1.849 1.00 0.49 N ATOM 737 CA ILE A 49 12.125 -3.734 2.141 1.00 0.62 C ATOM 738 C ILE A 49 12.437 -2.990 3.439 1.00 0.64 C ATOM 739 O ILE A 49 13.289 -3.443 4.198 1.00 0.74 O ATOM 740 CB ILE A 49 12.985 -3.268 0.951 1.00 0.70 C ATOM 741 CG1 ILE A 49 12.953 -1.754 0.714 1.00 0.67 C ATOM 742 CG2 ILE A 49 12.617 -4.048 -0.320 1.00 0.71 C ATOM 743 CD1 ILE A 49 14.160 -1.055 1.346 1.00 0.80 C ATOM 0 H ILE A 49 10.462 -3.191 0.984 1.00 0.49 H new ATOM 0 HA ILE A 49 12.397 -4.778 2.297 1.00 0.62 H new ATOM 0 HB ILE A 49 14.018 -3.492 1.216 1.00 0.70 H new ATOM 0 HG12 ILE A 49 12.937 -1.554 -0.357 1.00 0.67 H new ATOM 0 HG13 ILE A 49 12.034 -1.340 1.130 1.00 0.67 H new ATOM 0 HG21 ILE A 49 13.235 -3.705 -1.149 1.00 0.71 H new ATOM 0 HG22 ILE A 49 12.788 -5.112 -0.156 1.00 0.71 H new ATOM 0 HG23 ILE A 49 11.566 -3.882 -0.557 1.00 0.71 H new ATOM 0 HD11 ILE A 49 14.101 0.017 1.156 1.00 0.80 H new ATOM 0 HD12 ILE A 49 14.162 -1.233 2.421 1.00 0.80 H new ATOM 0 HD13 ILE A 49 15.078 -1.450 0.911 1.00 0.80 H new ATOM 755 N THR A 50 11.750 -1.874 3.711 1.00 0.58 N ATOM 756 CA THR A 50 11.945 -1.130 4.945 1.00 0.65 C ATOM 757 C THR A 50 11.592 -2.012 6.143 1.00 0.63 C ATOM 758 O THR A 50 12.333 -2.051 7.123 1.00 0.75 O ATOM 759 CB THR A 50 11.142 0.182 4.912 1.00 0.67 C ATOM 760 OG1 THR A 50 11.815 1.092 4.073 1.00 0.74 O ATOM 761 CG2 THR A 50 10.982 0.855 6.277 1.00 0.82 C ATOM 0 H THR A 50 11.053 -1.471 3.085 1.00 0.58 H new ATOM 0 HA THR A 50 12.994 -0.851 5.047 1.00 0.65 H new ATOM 0 HB THR A 50 10.144 -0.078 4.558 1.00 0.67 H new ATOM 0 HG1 THR A 50 11.493 0.989 3.153 1.00 0.74 H new ATOM 0 HG21 THR A 50 10.404 1.772 6.165 1.00 0.82 H new ATOM 0 HG22 THR A 50 10.462 0.180 6.957 1.00 0.82 H new ATOM 0 HG23 THR A 50 11.965 1.093 6.683 1.00 0.82 H new ATOM 769 N ASN A 51 10.445 -2.692 6.101 1.00 0.53 N ATOM 770 CA ASN A 51 9.968 -3.589 7.140 1.00 0.55 C ATOM 771 C ASN A 51 8.732 -4.296 6.581 1.00 0.48 C ATOM 772 O ASN A 51 7.822 -3.624 6.103 1.00 0.53 O ATOM 773 CB ASN A 51 9.593 -2.776 8.395 1.00 0.64 C ATOM 774 CG ASN A 51 10.356 -3.248 9.622 1.00 1.47 C ATOM 775 OD1 ASN A 51 9.818 -3.960 10.463 1.00 2.26 O ATOM 776 ND2 ASN A 51 11.606 -2.840 9.769 1.00 2.35 N ATOM 0 H ASN A 51 9.803 -2.627 5.311 1.00 0.53 H new ATOM 0 HA ASN A 51 10.734 -4.312 7.422 1.00 0.55 H new ATOM 0 HB2 ASN A 51 9.802 -1.721 8.220 1.00 0.64 H new ATOM 0 HB3 ASN A 51 8.522 -2.862 8.577 1.00 0.64 H new ATOM 0 HD21 ASN A 51 12.139 -3.117 10.593 1.00 2.35 H new ATOM 0 HD22 ASN A 51 12.036 -2.248 9.058 1.00 2.35 H new ATOM 783 N LYS A 52 8.644 -5.628 6.643 1.00 0.48 N ATOM 784 CA LYS A 52 7.491 -6.328 6.077 1.00 0.47 C ATOM 785 C LYS A 52 6.317 -6.330 7.045 1.00 0.52 C ATOM 786 O LYS A 52 5.837 -7.388 7.436 1.00 1.31 O ATOM 787 CB LYS A 52 7.837 -7.772 5.704 1.00 0.61 C ATOM 788 CG LYS A 52 8.917 -7.882 4.630 1.00 1.94 C ATOM 789 CD LYS A 52 10.317 -8.114 5.203 1.00 2.04 C ATOM 790 CE LYS A 52 11.218 -8.613 4.069 1.00 3.46 C ATOM 791 NZ LYS A 52 12.568 -8.017 4.135 1.00 4.61 N ATOM 0 H LYS A 52 9.345 -6.233 7.072 1.00 0.48 H new ATOM 0 HA LYS A 52 7.210 -5.788 5.173 1.00 0.47 H new ATOM 0 HB2 LYS A 52 8.170 -8.300 6.598 1.00 0.61 H new ATOM 0 HB3 LYS A 52 6.935 -8.274 5.354 1.00 0.61 H new ATOM 0 HG2 LYS A 52 8.667 -8.701 3.956 1.00 1.94 H new ATOM 0 HG3 LYS A 52 8.922 -6.969 4.034 1.00 1.94 H new ATOM 0 HD2 LYS A 52 10.713 -7.191 5.626 1.00 2.04 H new ATOM 0 HD3 LYS A 52 10.281 -8.845 6.011 1.00 2.04 H new ATOM 0 HE2 LYS A 52 11.298 -9.699 4.120 1.00 3.46 H new ATOM 0 HE3 LYS A 52 10.761 -8.371 3.109 1.00 3.46 H new ATOM 0 HZ1 LYS A 52 13.147 -8.380 3.351 1.00 4.61 H new ATOM 0 HZ2 LYS A 52 12.495 -6.982 4.061 1.00 4.61 H new ATOM 0 HZ3 LYS A 52 13.015 -8.268 5.040 1.00 4.61 H new ATOM 805 N LYS A 53 5.785 -5.164 7.390 1.00 0.62 N ATOM 806 CA LYS A 53 4.596 -5.089 8.215 1.00 0.60 C ATOM 807 C LYS A 53 3.832 -3.852 7.794 1.00 0.63 C ATOM 808 O LYS A 53 4.447 -2.816 7.549 1.00 0.87 O ATOM 809 CB LYS A 53 4.978 -5.096 9.702 1.00 0.84 C ATOM 810 CG LYS A 53 5.926 -3.951 10.082 1.00 1.66 C ATOM 811 CD LYS A 53 6.590 -4.212 11.435 1.00 2.05 C ATOM 812 CE LYS A 53 7.462 -3.009 11.800 1.00 3.01 C ATOM 813 NZ LYS A 53 8.503 -3.366 12.786 1.00 3.61 N ATOM 0 H LYS A 53 6.162 -4.259 7.109 1.00 0.62 H new ATOM 0 HA LYS A 53 3.952 -5.957 8.077 1.00 0.60 H new ATOM 0 HB2 LYS A 53 4.072 -5.026 10.305 1.00 0.84 H new ATOM 0 HB3 LYS A 53 5.450 -6.048 9.946 1.00 0.84 H new ATOM 0 HG2 LYS A 53 6.691 -3.838 9.314 1.00 1.66 H new ATOM 0 HG3 LYS A 53 5.372 -3.013 10.120 1.00 1.66 H new ATOM 0 HD2 LYS A 53 5.832 -4.375 12.202 1.00 2.05 H new ATOM 0 HD3 LYS A 53 7.196 -5.117 11.389 1.00 2.05 H new ATOM 0 HE2 LYS A 53 7.934 -2.615 10.900 1.00 3.01 H new ATOM 0 HE3 LYS A 53 6.835 -2.215 12.205 1.00 3.01 H new ATOM 0 HZ1 LYS A 53 8.747 -2.528 13.352 1.00 3.61 H new ATOM 0 HZ2 LYS A 53 8.146 -4.115 13.412 1.00 3.61 H new ATOM 0 HZ3 LYS A 53 9.351 -3.706 12.288 1.00 3.61 H new ATOM 827 N CYS A 54 2.509 -3.965 7.674 1.00 0.53 N ATOM 828 CA CYS A 54 1.669 -2.871 7.229 1.00 0.58 C ATOM 829 C CYS A 54 1.927 -1.714 8.204 1.00 0.65 C ATOM 830 O CYS A 54 1.761 -1.902 9.417 1.00 0.71 O ATOM 831 CB CYS A 54 0.200 -3.323 7.280 1.00 0.62 C ATOM 832 SG CYS A 54 -0.835 -2.310 6.178 1.00 0.88 S ATOM 0 H CYS A 54 1.996 -4.821 7.885 1.00 0.53 H new ATOM 0 HA CYS A 54 1.887 -2.562 6.207 1.00 0.58 H new ATOM 0 HB2 CYS A 54 0.128 -4.371 6.990 1.00 0.62 H new ATOM 0 HB3 CYS A 54 -0.171 -3.249 8.302 1.00 0.62 H new ATOM 0 HG CYS A 54 -2.089 -2.564 6.406 1.00 0.88 H new ATOM 837 N PRO A 55 2.335 -0.531 7.717 1.00 0.80 N ATOM 838 CA PRO A 55 2.723 0.574 8.573 1.00 1.00 C ATOM 839 C PRO A 55 1.523 1.010 9.402 1.00 1.17 C ATOM 840 O PRO A 55 1.681 1.383 10.562 1.00 2.09 O ATOM 841 CB PRO A 55 3.239 1.669 7.634 1.00 1.23 C ATOM 842 CG PRO A 55 2.533 1.374 6.312 1.00 1.19 C ATOM 843 CD PRO A 55 2.401 -0.148 6.318 1.00 0.92 C ATOM 0 HA PRO A 55 3.504 0.314 9.288 1.00 1.00 H new ATOM 0 HB2 PRO A 55 2.994 2.664 8.006 1.00 1.23 H new ATOM 0 HB3 PRO A 55 4.323 1.627 7.527 1.00 1.23 H new ATOM 0 HG2 PRO A 55 1.560 1.862 6.258 1.00 1.19 H new ATOM 0 HG3 PRO A 55 3.114 1.724 5.459 1.00 1.19 H new ATOM 0 HD2 PRO A 55 1.506 -0.466 5.782 1.00 0.92 H new ATOM 0 HD3 PRO A 55 3.252 -0.617 5.823 1.00 0.92 H new ATOM 851 N ILE A 56 0.327 0.893 8.818 1.00 1.22 N ATOM 852 CA ILE A 56 -0.931 1.105 9.493 1.00 1.37 C ATOM 853 C ILE A 56 -1.741 -0.191 9.346 1.00 1.83 C ATOM 854 O ILE A 56 -2.084 -0.595 8.223 1.00 3.49 O ATOM 855 CB ILE A 56 -1.568 2.406 8.971 1.00 1.51 C ATOM 856 CG1 ILE A 56 -2.778 2.814 9.826 1.00 2.24 C ATOM 857 CG2 ILE A 56 -1.935 2.366 7.481 1.00 2.80 C ATOM 858 CD1 ILE A 56 -2.787 4.331 10.048 1.00 3.01 C ATOM 0 H ILE A 56 0.218 0.641 7.836 1.00 1.22 H new ATOM 0 HA ILE A 56 -0.848 1.279 10.566 1.00 1.37 H new ATOM 0 HB ILE A 56 -0.796 3.169 9.066 1.00 1.51 H new ATOM 0 HG12 ILE A 56 -3.700 2.507 9.333 1.00 2.24 H new ATOM 0 HG13 ILE A 56 -2.743 2.300 10.786 1.00 2.24 H new ATOM 0 HG21 ILE A 56 -2.378 3.318 7.190 1.00 2.80 H new ATOM 0 HG22 ILE A 56 -1.037 2.188 6.890 1.00 2.80 H new ATOM 0 HG23 ILE A 56 -2.651 1.564 7.304 1.00 2.80 H new ATOM 0 HD11 ILE A 56 -3.650 4.605 10.655 1.00 3.01 H new ATOM 0 HD12 ILE A 56 -1.873 4.629 10.561 1.00 3.01 H new ATOM 0 HD13 ILE A 56 -2.845 4.839 9.085 1.00 3.01 H new ATOM 870 N CYS A 57 -1.931 -0.842 10.505 1.00 1.18 N ATOM 871 CA CYS A 57 -2.573 -2.106 10.895 1.00 1.25 C ATOM 872 C CYS A 57 -1.633 -2.883 11.835 1.00 1.37 C ATOM 873 O CYS A 57 -2.119 -3.572 12.724 1.00 2.34 O ATOM 874 CB CYS A 57 -2.944 -3.073 9.763 1.00 1.14 C ATOM 875 SG CYS A 57 -4.133 -2.487 8.525 1.00 1.85 S ATOM 0 H CYS A 57 -1.564 -0.402 11.349 1.00 1.18 H new ATOM 0 HA CYS A 57 -3.510 -1.786 11.352 1.00 1.25 H new ATOM 0 HB2 CYS A 57 -2.027 -3.353 9.244 1.00 1.14 H new ATOM 0 HB3 CYS A 57 -3.345 -3.981 10.213 1.00 1.14 H new ATOM 880 N ARG A 58 -0.306 -2.815 11.628 1.00 1.10 N ATOM 881 CA ARG A 58 0.679 -3.665 12.313 1.00 1.09 C ATOM 882 C ARG A 58 0.362 -5.155 12.126 1.00 1.28 C ATOM 883 O ARG A 58 0.006 -5.855 13.067 1.00 2.34 O ATOM 884 CB ARG A 58 0.804 -3.296 13.808 1.00 1.23 C ATOM 885 CG ARG A 58 1.684 -2.070 14.067 1.00 2.13 C ATOM 886 CD ARG A 58 3.166 -2.465 14.049 1.00 2.49 C ATOM 887 NE ARG A 58 4.031 -1.357 14.481 1.00 3.29 N ATOM 888 CZ ARG A 58 4.394 -0.308 13.730 1.00 5.23 C ATOM 889 NH1 ARG A 58 5.181 0.635 14.252 1.00 5.98 N ATOM 890 NH2 ARG A 58 3.978 -0.207 12.468 1.00 6.77 N ATOM 0 H ARG A 58 0.116 -2.159 10.971 1.00 1.10 H new ATOM 0 HA ARG A 58 1.648 -3.478 11.850 1.00 1.09 H new ATOM 0 HB2 ARG A 58 -0.191 -3.110 14.212 1.00 1.23 H new ATOM 0 HB3 ARG A 58 1.214 -4.148 14.351 1.00 1.23 H new ATOM 0 HG2 ARG A 58 1.494 -1.311 13.309 1.00 2.13 H new ATOM 0 HG3 ARG A 58 1.430 -1.629 15.031 1.00 2.13 H new ATOM 0 HD2 ARG A 58 3.321 -3.324 14.702 1.00 2.49 H new ATOM 0 HD3 ARG A 58 3.448 -2.775 13.043 1.00 2.49 H new ATOM 0 HE ARG A 58 4.386 -1.390 15.437 1.00 3.29 H new ATOM 0 HH11 ARG A 58 5.502 0.555 15.217 1.00 5.98 H new ATOM 0 HH12 ARG A 58 5.461 1.436 13.686 1.00 5.98 H new ATOM 0 HH21 ARG A 58 3.380 -0.930 12.069 1.00 6.77 H new ATOM 0 HH22 ARG A 58 4.258 0.594 11.901 1.00 6.77 H new ATOM 904 N VAL A 59 0.588 -5.665 10.915 1.00 0.73 N ATOM 905 CA VAL A 59 0.492 -7.088 10.609 1.00 0.64 C ATOM 906 C VAL A 59 1.624 -7.396 9.649 1.00 0.54 C ATOM 907 O VAL A 59 1.910 -6.570 8.785 1.00 0.52 O ATOM 908 CB VAL A 59 -0.867 -7.448 9.970 1.00 0.66 C ATOM 909 CG1 VAL A 59 -1.340 -8.803 10.503 1.00 1.32 C ATOM 910 CG2 VAL A 59 -1.962 -6.413 10.234 1.00 1.54 C ATOM 0 H VAL A 59 0.846 -5.093 10.111 1.00 0.73 H new ATOM 0 HA VAL A 59 0.566 -7.677 11.523 1.00 0.64 H new ATOM 0 HB VAL A 59 -0.700 -7.476 8.893 1.00 0.66 H new ATOM 0 HG11 VAL A 59 -2.299 -9.057 10.052 1.00 1.32 H new ATOM 0 HG12 VAL A 59 -0.607 -9.569 10.251 1.00 1.32 H new ATOM 0 HG13 VAL A 59 -1.451 -8.749 11.586 1.00 1.32 H new ATOM 0 HG21 VAL A 59 -2.888 -6.732 9.755 1.00 1.54 H new ATOM 0 HG22 VAL A 59 -2.123 -6.319 11.308 1.00 1.54 H new ATOM 0 HG23 VAL A 59 -1.657 -5.449 9.827 1.00 1.54 H new ATOM 920 N ASP A 60 2.290 -8.538 9.808 1.00 0.54 N ATOM 921 CA ASP A 60 3.335 -8.932 8.878 1.00 0.50 C ATOM 922 C ASP A 60 2.711 -9.197 7.509 1.00 0.48 C ATOM 923 O ASP A 60 1.573 -9.660 7.429 1.00 0.54 O ATOM 924 CB ASP A 60 4.062 -10.169 9.401 1.00 0.62 C ATOM 925 CG ASP A 60 5.319 -10.443 8.570 1.00 0.75 C ATOM 926 OD1 ASP A 60 6.417 -10.145 9.087 1.00 1.75 O ATOM 927 OD2 ASP A 60 5.167 -10.893 7.412 1.00 1.89 O ATOM 0 H ASP A 60 2.123 -9.199 10.567 1.00 0.54 H new ATOM 0 HA ASP A 60 4.068 -8.131 8.781 1.00 0.50 H new ATOM 0 HB2 ASP A 60 4.334 -10.023 10.446 1.00 0.62 H new ATOM 0 HB3 ASP A 60 3.398 -11.032 9.362 1.00 0.62 H new ATOM 932 N ILE A 61 3.433 -8.874 6.436 1.00 0.43 N ATOM 933 CA ILE A 61 2.962 -9.053 5.075 1.00 0.42 C ATOM 934 C ILE A 61 3.853 -9.962 4.232 1.00 0.48 C ATOM 935 O ILE A 61 3.442 -10.356 3.145 1.00 0.51 O ATOM 936 CB ILE A 61 2.816 -7.693 4.403 1.00 0.40 C ATOM 937 CG1 ILE A 61 4.195 -7.093 4.107 1.00 0.46 C ATOM 938 CG2 ILE A 61 1.975 -6.737 5.260 1.00 0.37 C ATOM 939 CD1 ILE A 61 4.019 -5.784 3.371 1.00 0.48 C ATOM 0 H ILE A 61 4.371 -8.477 6.495 1.00 0.43 H new ATOM 0 HA ILE A 61 1.996 -9.553 5.141 1.00 0.42 H new ATOM 0 HB ILE A 61 2.292 -7.836 3.458 1.00 0.40 H new ATOM 0 HG12 ILE A 61 4.742 -6.931 5.036 1.00 0.46 H new ATOM 0 HG13 ILE A 61 4.785 -7.785 3.506 1.00 0.46 H new ATOM 0 HG21 ILE A 61 1.889 -5.775 4.754 1.00 0.37 H new ATOM 0 HG22 ILE A 61 0.981 -7.160 5.408 1.00 0.37 H new ATOM 0 HG23 ILE A 61 2.457 -6.596 6.227 1.00 0.37 H new ATOM 0 HD11 ILE A 61 4.997 -5.352 3.158 1.00 0.48 H new ATOM 0 HD12 ILE A 61 3.489 -5.961 2.435 1.00 0.48 H new ATOM 0 HD13 ILE A 61 3.445 -5.094 3.989 1.00 0.48 H new ATOM 951 N GLU A 62 5.074 -10.231 4.695 1.00 0.54 N ATOM 952 CA GLU A 62 6.022 -11.154 4.082 1.00 0.62 C ATOM 953 C GLU A 62 5.317 -12.484 3.835 1.00 0.68 C ATOM 954 O GLU A 62 5.122 -12.882 2.686 1.00 2.08 O ATOM 955 CB GLU A 62 7.265 -11.295 4.987 1.00 0.71 C ATOM 956 CG GLU A 62 8.588 -11.378 4.211 1.00 1.30 C ATOM 957 CD GLU A 62 9.058 -12.797 3.900 1.00 1.63 C ATOM 958 OE1 GLU A 62 10.298 -12.957 3.816 1.00 2.50 O ATOM 959 OE2 GLU A 62 8.193 -13.679 3.723 1.00 2.83 O ATOM 0 H GLU A 62 5.441 -9.794 5.540 1.00 0.54 H new ATOM 0 HA GLU A 62 6.372 -10.778 3.121 1.00 0.62 H new ATOM 0 HB2 GLU A 62 7.306 -10.445 5.668 1.00 0.71 H new ATOM 0 HB3 GLU A 62 7.157 -12.190 5.600 1.00 0.71 H new ATOM 0 HG2 GLU A 62 8.478 -10.833 3.274 1.00 1.30 H new ATOM 0 HG3 GLU A 62 9.363 -10.871 4.786 1.00 1.30 H new