USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=7 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 -171:sc= 1.4 USER MOD Set 1.2: A 40 HIS : no HD1:sc= -2.18 K(o=-0.78,f=-3.6!) USER MOD Set 2.1: A 36 MET CE :methyl -135:sc= -0.0664 (180deg=0) USER MOD Set 2.2: A 37 HIS : no HE2:sc= -0.968 X(o=-1.2,f=-1.7) USER MOD Set 2.3: A 54 CYS SG : rot -143:sc= -0.163 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -36:sc= 0.218 USER MOD Single : A 22 SER OG : rot 180:sc= -0.219 USER MOD Single : A 41 GLN : amide:sc= 0.468 K(o=0.47,f=-0.059) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 50 THR OG1 : rot 92:sc= 0.26 USER MOD Single : A 51 ASN : amide:sc= 0.125 X(o=0.12,f=-0.31) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 200 N GLU A 15 -10.177 5.070 -3.372 1.00 1.17 N ATOM 201 CA GLU A 15 -8.963 4.344 -3.089 1.00 1.02 C ATOM 202 C GLU A 15 -7.749 5.256 -3.249 1.00 0.96 C ATOM 203 O GLU A 15 -7.433 5.792 -4.310 1.00 1.03 O ATOM 204 CB GLU A 15 -8.908 3.041 -3.886 1.00 1.13 C ATOM 205 CG GLU A 15 -9.062 3.189 -5.402 1.00 1.42 C ATOM 206 CD GLU A 15 -8.646 1.866 -6.050 1.00 1.98 C ATOM 207 OE1 GLU A 15 -7.418 1.632 -6.128 1.00 2.51 O ATOM 208 OE2 GLU A 15 -9.551 1.061 -6.366 1.00 2.85 O ATOM 0 HA GLU A 15 -8.950 4.029 -2.046 1.00 1.02 H new ATOM 0 HB2 GLU A 15 -7.957 2.550 -3.681 1.00 1.13 H new ATOM 0 HB3 GLU A 15 -9.693 2.379 -3.521 1.00 1.13 H new ATOM 0 HG2 GLU A 15 -10.093 3.432 -5.659 1.00 1.42 H new ATOM 0 HG3 GLU A 15 -8.441 4.006 -5.770 1.00 1.42 H new ATOM 215 N LYS A 16 -7.052 5.443 -2.133 1.00 0.95 N ATOM 216 CA LYS A 16 -5.800 6.175 -2.078 1.00 0.92 C ATOM 217 C LYS A 16 -4.788 5.365 -1.277 1.00 0.92 C ATOM 218 O LYS A 16 -5.146 4.666 -0.330 1.00 1.11 O ATOM 219 CB LYS A 16 -5.998 7.594 -1.531 1.00 1.18 C ATOM 220 CG LYS A 16 -6.867 7.624 -0.278 1.00 1.48 C ATOM 221 CD LYS A 16 -6.607 8.878 0.565 1.00 1.23 C ATOM 222 CE LYS A 16 -7.049 10.156 -0.160 1.00 1.49 C ATOM 223 NZ LYS A 16 -8.458 10.509 0.123 1.00 2.63 N ATOM 0 H LYS A 16 -7.350 5.082 -1.227 1.00 0.95 H new ATOM 0 HA LYS A 16 -5.409 6.307 -3.087 1.00 0.92 H new ATOM 0 HB2 LYS A 16 -5.025 8.031 -1.305 1.00 1.18 H new ATOM 0 HB3 LYS A 16 -6.455 8.216 -2.301 1.00 1.18 H new ATOM 0 HG2 LYS A 16 -7.918 7.590 -0.564 1.00 1.48 H new ATOM 0 HG3 LYS A 16 -6.671 6.735 0.322 1.00 1.48 H new ATOM 0 HD2 LYS A 16 -7.139 8.795 1.513 1.00 1.23 H new ATOM 0 HD3 LYS A 16 -5.545 8.943 0.801 1.00 1.23 H new ATOM 0 HE2 LYS A 16 -6.404 10.982 0.140 1.00 1.49 H new ATOM 0 HE3 LYS A 16 -6.920 10.024 -1.234 1.00 1.49 H new ATOM 0 HZ1 LYS A 16 -8.708 11.379 -0.390 1.00 2.63 H new ATOM 0 HZ2 LYS A 16 -9.079 9.734 -0.187 1.00 2.63 H new ATOM 0 HZ3 LYS A 16 -8.579 10.662 1.144 1.00 2.63 H new ATOM 237 N CYS A 17 -3.527 5.467 -1.686 1.00 0.78 N ATOM 238 CA CYS A 17 -2.357 4.943 -1.004 1.00 0.86 C ATOM 239 C CYS A 17 -2.258 5.663 0.344 1.00 0.99 C ATOM 240 O CYS A 17 -2.764 6.774 0.491 1.00 1.62 O ATOM 241 CB CYS A 17 -1.186 5.345 -1.908 1.00 0.78 C ATOM 242 SG CYS A 17 0.459 4.731 -1.475 1.00 0.87 S ATOM 0 H CYS A 17 -3.285 5.946 -2.553 1.00 0.78 H new ATOM 0 HA CYS A 17 -2.379 3.868 -0.828 1.00 0.86 H new ATOM 0 HB2 CYS A 17 -1.413 5.010 -2.920 1.00 0.78 H new ATOM 0 HB3 CYS A 17 -1.141 6.434 -1.935 1.00 0.78 H new ATOM 0 HG CYS A 17 1.351 5.319 -2.217 1.00 0.87 H new ATOM 247 N THR A 18 -1.553 5.073 1.311 1.00 0.66 N ATOM 248 CA THR A 18 -1.384 5.684 2.629 1.00 0.73 C ATOM 249 C THR A 18 0.065 6.072 2.911 1.00 0.68 C ATOM 250 O THR A 18 0.313 6.775 3.884 1.00 0.73 O ATOM 251 CB THR A 18 -1.961 4.781 3.721 1.00 0.85 C ATOM 252 OG1 THR A 18 -2.093 5.490 4.935 1.00 0.90 O ATOM 253 CG2 THR A 18 -1.067 3.571 3.953 1.00 0.84 C ATOM 0 H THR A 18 -1.089 4.171 1.205 1.00 0.66 H new ATOM 0 HA THR A 18 -1.949 6.616 2.632 1.00 0.73 H new ATOM 0 HB THR A 18 -2.942 4.446 3.385 1.00 0.85 H new ATOM 0 HG1 THR A 18 -1.348 6.120 5.028 1.00 0.90 H new ATOM 0 HG21 THR A 18 -1.498 2.944 4.734 1.00 0.84 H new ATOM 0 HG22 THR A 18 -0.985 2.997 3.030 1.00 0.84 H new ATOM 0 HG23 THR A 18 -0.076 3.904 4.262 1.00 0.84 H new ATOM 261 N ILE A 19 1.020 5.593 2.110 1.00 0.65 N ATOM 262 CA ILE A 19 2.432 5.863 2.300 1.00 0.68 C ATOM 263 C ILE A 19 2.729 7.223 1.683 1.00 0.68 C ATOM 264 O ILE A 19 2.972 8.191 2.395 1.00 0.92 O ATOM 265 CB ILE A 19 3.216 4.722 1.644 1.00 0.65 C ATOM 266 CG1 ILE A 19 3.119 3.468 2.518 1.00 0.68 C ATOM 267 CG2 ILE A 19 4.692 5.058 1.413 1.00 0.63 C ATOM 268 CD1 ILE A 19 3.202 2.234 1.630 1.00 0.67 C ATOM 0 H ILE A 19 0.823 5.000 1.304 1.00 0.65 H new ATOM 0 HA ILE A 19 2.723 5.904 3.350 1.00 0.68 H new ATOM 0 HB ILE A 19 2.767 4.554 0.665 1.00 0.65 H new ATOM 0 HG12 ILE A 19 3.925 3.458 3.252 1.00 0.68 H new ATOM 0 HG13 ILE A 19 2.181 3.469 3.074 1.00 0.68 H new ATOM 0 HG21 ILE A 19 5.190 4.208 0.946 1.00 0.63 H new ATOM 0 HG22 ILE A 19 4.769 5.928 0.760 1.00 0.63 H new ATOM 0 HG23 ILE A 19 5.169 5.278 2.368 1.00 0.63 H new ATOM 0 HD11 ILE A 19 3.134 1.337 2.246 1.00 0.67 H new ATOM 0 HD12 ILE A 19 2.381 2.246 0.913 1.00 0.67 H new ATOM 0 HD13 ILE A 19 4.151 2.235 1.094 1.00 0.67 H new ATOM 280 N CYS A 20 2.651 7.310 0.352 1.00 0.61 N ATOM 281 CA CYS A 20 2.881 8.557 -0.360 1.00 0.63 C ATOM 282 C CYS A 20 1.581 9.378 -0.431 1.00 0.61 C ATOM 283 O CYS A 20 1.538 10.390 -1.126 1.00 0.79 O ATOM 284 CB CYS A 20 3.496 8.273 -1.758 1.00 1.13 C ATOM 285 SG CYS A 20 3.292 6.594 -2.471 1.00 1.39 S ATOM 0 H CYS A 20 2.428 6.520 -0.253 1.00 0.61 H new ATOM 0 HA CYS A 20 3.606 9.162 0.185 1.00 0.63 H new ATOM 0 HB2 CYS A 20 3.068 8.987 -2.461 1.00 1.13 H new ATOM 0 HB3 CYS A 20 4.564 8.483 -1.701 1.00 1.13 H new ATOM 290 N LEU A 21 0.511 8.938 0.257 1.00 0.65 N ATOM 291 CA LEU A 21 -0.833 9.515 0.279 1.00 0.90 C ATOM 292 C LEU A 21 -1.384 9.903 -1.095 1.00 1.10 C ATOM 293 O LEU A 21 -2.344 10.662 -1.208 1.00 1.54 O ATOM 294 CB LEU A 21 -0.908 10.656 1.306 1.00 1.13 C ATOM 295 CG LEU A 21 -0.770 10.134 2.744 1.00 1.21 C ATOM 296 CD1 LEU A 21 -0.515 11.296 3.701 1.00 1.56 C ATOM 297 CD2 LEU A 21 -2.045 9.416 3.193 1.00 1.35 C ATOM 0 H LEU A 21 0.574 8.112 0.852 1.00 0.65 H new ATOM 0 HA LEU A 21 -1.506 8.721 0.602 1.00 0.90 H new ATOM 0 HB2 LEU A 21 -0.119 11.380 1.104 1.00 1.13 H new ATOM 0 HB3 LEU A 21 -1.857 11.181 1.199 1.00 1.13 H new ATOM 0 HG LEU A 21 0.066 9.435 2.762 1.00 1.21 H new ATOM 0 HD11 LEU A 21 -0.419 10.915 4.718 1.00 1.56 H new ATOM 0 HD12 LEU A 21 0.405 11.807 3.416 1.00 1.56 H new ATOM 0 HD13 LEU A 21 -1.349 11.996 3.653 1.00 1.56 H new ATOM 0 HD21 LEU A 21 -1.920 9.057 4.214 1.00 1.35 H new ATOM 0 HD22 LEU A 21 -2.886 10.108 3.152 1.00 1.35 H new ATOM 0 HD23 LEU A 21 -2.239 8.571 2.532 1.00 1.35 H new ATOM 309 N SER A 22 -0.818 9.328 -2.148 1.00 1.18 N ATOM 310 CA SER A 22 -1.224 9.543 -3.510 1.00 1.41 C ATOM 311 C SER A 22 -2.514 8.775 -3.735 1.00 0.94 C ATOM 312 O SER A 22 -2.553 7.572 -3.487 1.00 0.85 O ATOM 313 CB SER A 22 -0.136 8.955 -4.399 1.00 1.87 C ATOM 314 OG SER A 22 1.147 9.248 -3.891 1.00 2.97 O ATOM 0 H SER A 22 -0.037 8.678 -2.062 1.00 1.18 H new ATOM 0 HA SER A 22 -1.373 10.600 -3.729 1.00 1.41 H new ATOM 0 HB2 SER A 22 -0.264 7.875 -4.471 1.00 1.87 H new ATOM 0 HB3 SER A 22 -0.231 9.355 -5.409 1.00 1.87 H new ATOM 0 HG SER A 22 1.828 8.858 -4.478 1.00 2.97 H new ATOM 320 N ILE A 23 -3.556 9.431 -4.229 1.00 0.79 N ATOM 321 CA ILE A 23 -4.707 8.751 -4.762 1.00 0.67 C ATOM 322 C ILE A 23 -4.233 7.777 -5.845 1.00 0.63 C ATOM 323 O ILE A 23 -3.150 7.937 -6.412 1.00 0.74 O ATOM 324 CB ILE A 23 -5.618 9.839 -5.329 1.00 0.84 C ATOM 325 CG1 ILE A 23 -6.331 10.632 -4.223 1.00 1.06 C ATOM 326 CG2 ILE A 23 -6.674 9.250 -6.258 1.00 0.82 C ATOM 327 CD1 ILE A 23 -5.481 11.161 -3.065 1.00 2.89 C ATOM 0 H ILE A 23 -3.618 10.448 -4.267 1.00 0.79 H new ATOM 0 HA ILE A 23 -5.249 8.172 -4.015 1.00 0.67 H new ATOM 0 HB ILE A 23 -4.969 10.513 -5.887 1.00 0.84 H new ATOM 0 HG12 ILE A 23 -6.830 11.482 -4.688 1.00 1.06 H new ATOM 0 HG13 ILE A 23 -7.110 9.996 -3.803 1.00 1.06 H new ATOM 0 HG21 ILE A 23 -7.306 10.050 -6.644 1.00 0.82 H new ATOM 0 HG22 ILE A 23 -6.185 8.741 -7.088 1.00 0.82 H new ATOM 0 HG23 ILE A 23 -7.287 8.538 -5.706 1.00 0.82 H new ATOM 0 HD11 ILE A 23 -6.118 11.699 -2.363 1.00 2.89 H new ATOM 0 HD12 ILE A 23 -5.002 10.326 -2.554 1.00 2.89 H new ATOM 0 HD13 ILE A 23 -4.717 11.835 -3.453 1.00 2.89 H new ATOM 339 N LEU A 24 -5.054 6.766 -6.097 1.00 0.64 N ATOM 340 CA LEU A 24 -4.806 5.735 -7.085 1.00 0.73 C ATOM 341 C LEU A 24 -5.662 6.004 -8.321 1.00 0.80 C ATOM 342 O LEU A 24 -6.043 7.135 -8.593 1.00 0.79 O ATOM 343 CB LEU A 24 -5.130 4.379 -6.438 1.00 0.77 C ATOM 344 CG LEU A 24 -4.389 4.208 -5.112 1.00 0.79 C ATOM 345 CD1 LEU A 24 -4.838 2.952 -4.410 1.00 0.82 C ATOM 346 CD2 LEU A 24 -2.892 4.142 -5.342 1.00 0.78 C ATOM 0 H LEU A 24 -5.937 6.641 -5.602 1.00 0.64 H new ATOM 0 HA LEU A 24 -3.765 5.729 -7.409 1.00 0.73 H new ATOM 0 HB2 LEU A 24 -6.204 4.301 -6.270 1.00 0.77 H new ATOM 0 HB3 LEU A 24 -4.854 3.573 -7.118 1.00 0.77 H new ATOM 0 HG LEU A 24 -4.620 5.071 -4.488 1.00 0.79 H new ATOM 0 HD11 LEU A 24 -4.299 2.849 -3.468 1.00 0.82 H new ATOM 0 HD12 LEU A 24 -5.908 3.009 -4.211 1.00 0.82 H new ATOM 0 HD13 LEU A 24 -4.632 2.088 -5.042 1.00 0.82 H new ATOM 0 HD21 LEU A 24 -2.382 4.020 -4.386 1.00 0.78 H new ATOM 0 HD22 LEU A 24 -2.660 3.295 -5.988 1.00 0.78 H new ATOM 0 HD23 LEU A 24 -2.556 5.063 -5.818 1.00 0.78 H new ATOM 358 N GLU A 25 -6.005 4.969 -9.074 1.00 0.97 N ATOM 359 CA GLU A 25 -7.058 5.048 -10.069 1.00 1.06 C ATOM 360 C GLU A 25 -7.659 3.659 -10.304 1.00 1.28 C ATOM 361 O GLU A 25 -7.150 2.658 -9.797 1.00 1.42 O ATOM 362 CB GLU A 25 -6.524 5.639 -11.381 1.00 1.08 C ATOM 363 CG GLU A 25 -5.488 4.752 -12.091 1.00 1.28 C ATOM 364 CD GLU A 25 -5.196 5.201 -13.528 1.00 1.67 C ATOM 365 OE1 GLU A 25 -5.665 6.296 -13.915 1.00 2.41 O ATOM 366 OE2 GLU A 25 -4.515 4.427 -14.237 1.00 2.79 O ATOM 0 H GLU A 25 -5.560 4.053 -9.011 1.00 0.97 H new ATOM 0 HA GLU A 25 -7.841 5.710 -9.699 1.00 1.06 H new ATOM 0 HB2 GLU A 25 -7.362 5.813 -12.056 1.00 1.08 H new ATOM 0 HB3 GLU A 25 -6.074 6.610 -11.174 1.00 1.08 H new ATOM 0 HG2 GLU A 25 -4.560 4.758 -11.519 1.00 1.28 H new ATOM 0 HG3 GLU A 25 -5.847 3.723 -12.104 1.00 1.28 H new ATOM 373 N GLU A 26 -8.713 3.596 -11.122 1.00 1.35 N ATOM 374 CA GLU A 26 -9.375 2.361 -11.520 1.00 1.55 C ATOM 375 C GLU A 26 -8.404 1.465 -12.302 1.00 1.66 C ATOM 376 O GLU A 26 -8.285 1.584 -13.521 1.00 1.81 O ATOM 377 CB GLU A 26 -10.623 2.726 -12.347 1.00 1.54 C ATOM 378 CG GLU A 26 -11.432 1.532 -12.876 1.00 1.81 C ATOM 379 CD GLU A 26 -12.034 0.686 -11.756 1.00 2.28 C ATOM 380 OE1 GLU A 26 -13.276 0.729 -11.602 1.00 3.33 O ATOM 381 OE2 GLU A 26 -11.241 -0.011 -11.086 1.00 2.91 O ATOM 0 H GLU A 26 -9.137 4.427 -11.534 1.00 1.35 H new ATOM 0 HA GLU A 26 -9.689 1.793 -10.644 1.00 1.55 H new ATOM 0 HB2 GLU A 26 -11.278 3.344 -11.733 1.00 1.54 H new ATOM 0 HB3 GLU A 26 -10.311 3.337 -13.194 1.00 1.54 H new ATOM 0 HG2 GLU A 26 -12.232 1.897 -13.520 1.00 1.81 H new ATOM 0 HG3 GLU A 26 -10.787 0.906 -13.492 1.00 1.81 H new ATOM 388 N GLY A 27 -7.723 0.555 -11.604 1.00 1.82 N ATOM 389 CA GLY A 27 -6.929 -0.502 -12.219 1.00 2.16 C ATOM 390 C GLY A 27 -5.426 -0.225 -12.204 1.00 2.01 C ATOM 391 O GLY A 27 -4.717 -0.702 -13.087 1.00 2.18 O ATOM 0 H GLY A 27 -7.709 0.534 -10.584 1.00 1.82 H new ATOM 0 HA2 GLY A 27 -7.122 -1.440 -11.699 1.00 2.16 H new ATOM 0 HA3 GLY A 27 -7.255 -0.637 -13.250 1.00 2.16 H new ATOM 395 N GLU A 28 -4.921 0.522 -11.220 1.00 1.79 N ATOM 396 CA GLU A 28 -3.512 0.882 -11.160 1.00 1.61 C ATOM 397 C GLU A 28 -2.646 -0.270 -10.629 1.00 1.50 C ATOM 398 O GLU A 28 -3.121 -1.188 -9.959 1.00 1.56 O ATOM 399 CB GLU A 28 -3.366 2.111 -10.257 1.00 1.40 C ATOM 400 CG GLU A 28 -2.018 2.820 -10.445 1.00 1.34 C ATOM 401 CD GLU A 28 -1.868 4.043 -9.549 1.00 1.66 C ATOM 402 OE1 GLU A 28 -2.616 4.152 -8.557 1.00 2.83 O ATOM 403 OE2 GLU A 28 -0.913 4.820 -9.764 1.00 1.90 O ATOM 0 H GLU A 28 -5.478 0.890 -10.449 1.00 1.79 H new ATOM 0 HA GLU A 28 -3.163 1.102 -12.169 1.00 1.61 H new ATOM 0 HB2 GLU A 28 -4.174 2.811 -10.468 1.00 1.40 H new ATOM 0 HB3 GLU A 28 -3.471 1.807 -9.215 1.00 1.40 H new ATOM 0 HG2 GLU A 28 -1.211 2.119 -10.234 1.00 1.34 H new ATOM 0 HG3 GLU A 28 -1.913 3.123 -11.487 1.00 1.34 H new ATOM 410 N ASP A 29 -1.341 -0.189 -10.883 1.00 1.41 N ATOM 411 CA ASP A 29 -0.338 -1.082 -10.327 1.00 1.25 C ATOM 412 C ASP A 29 -0.176 -0.822 -8.828 1.00 0.87 C ATOM 413 O ASP A 29 0.526 0.088 -8.379 1.00 0.72 O ATOM 414 CB ASP A 29 1.009 -0.916 -11.030 1.00 1.41 C ATOM 415 CG ASP A 29 0.893 -1.139 -12.533 1.00 2.30 C ATOM 416 OD1 ASP A 29 0.944 -2.323 -12.936 1.00 3.53 O ATOM 417 OD2 ASP A 29 0.733 -0.125 -13.246 1.00 2.83 O ATOM 0 H ASP A 29 -0.946 0.521 -11.499 1.00 1.41 H new ATOM 0 HA ASP A 29 -0.679 -2.105 -10.484 1.00 1.25 H new ATOM 0 HB2 ASP A 29 1.398 0.084 -10.840 1.00 1.41 H new ATOM 0 HB3 ASP A 29 1.727 -1.622 -10.612 1.00 1.41 H new ATOM 422 N VAL A 30 -0.810 -1.672 -8.036 1.00 0.88 N ATOM 423 CA VAL A 30 -0.797 -1.672 -6.590 1.00 0.74 C ATOM 424 C VAL A 30 -0.584 -3.116 -6.142 1.00 0.75 C ATOM 425 O VAL A 30 -0.615 -4.035 -6.963 1.00 0.95 O ATOM 426 CB VAL A 30 -2.107 -1.045 -6.075 1.00 0.93 C ATOM 427 CG1 VAL A 30 -2.280 0.377 -6.620 1.00 0.83 C ATOM 428 CG2 VAL A 30 -3.337 -1.865 -6.477 1.00 1.26 C ATOM 0 H VAL A 30 -1.382 -2.426 -8.415 1.00 0.88 H new ATOM 0 HA VAL A 30 0.009 -1.068 -6.173 1.00 0.74 H new ATOM 0 HB VAL A 30 -2.032 -1.029 -4.988 1.00 0.93 H new ATOM 0 HG11 VAL A 30 -3.211 0.800 -6.244 1.00 0.83 H new ATOM 0 HG12 VAL A 30 -1.443 0.995 -6.295 1.00 0.83 H new ATOM 0 HG13 VAL A 30 -2.309 0.348 -7.709 1.00 0.83 H new ATOM 0 HG21 VAL A 30 -4.236 -1.384 -6.092 1.00 1.26 H new ATOM 0 HG22 VAL A 30 -3.395 -1.925 -7.564 1.00 1.26 H new ATOM 0 HG23 VAL A 30 -3.256 -2.870 -6.062 1.00 1.26 H new ATOM 438 N ARG A 31 -0.343 -3.342 -4.852 1.00 0.72 N ATOM 439 CA ARG A 31 -0.261 -4.665 -4.260 1.00 0.70 C ATOM 440 C ARG A 31 -1.116 -4.589 -3.000 1.00 0.78 C ATOM 441 O ARG A 31 -0.933 -3.698 -2.168 1.00 1.46 O ATOM 442 CB ARG A 31 1.210 -5.041 -3.969 1.00 0.75 C ATOM 443 CG ARG A 31 1.911 -5.720 -5.165 1.00 0.96 C ATOM 444 CD ARG A 31 2.174 -7.230 -4.974 1.00 1.40 C ATOM 445 NE ARG A 31 3.498 -7.509 -4.383 1.00 1.67 N ATOM 446 CZ ARG A 31 4.062 -8.722 -4.224 1.00 2.17 C ATOM 447 NH1 ARG A 31 5.318 -8.812 -3.785 1.00 3.15 N ATOM 448 NH2 ARG A 31 3.390 -9.843 -4.499 1.00 2.59 N ATOM 0 H ARG A 31 -0.197 -2.590 -4.179 1.00 0.72 H new ATOM 0 HA ARG A 31 -0.626 -5.449 -4.923 1.00 0.70 H new ATOM 0 HB2 ARG A 31 1.761 -4.141 -3.696 1.00 0.75 H new ATOM 0 HB3 ARG A 31 1.244 -5.709 -3.109 1.00 0.75 H new ATOM 0 HG2 ARG A 31 1.300 -5.579 -6.057 1.00 0.96 H new ATOM 0 HG3 ARG A 31 2.861 -5.218 -5.347 1.00 0.96 H new ATOM 0 HD2 ARG A 31 1.399 -7.651 -4.334 1.00 1.40 H new ATOM 0 HD3 ARG A 31 2.098 -7.732 -5.938 1.00 1.40 H new ATOM 0 HE ARG A 31 4.038 -6.705 -4.064 1.00 1.67 H new ATOM 0 HH11 ARG A 31 5.846 -7.965 -3.572 1.00 3.15 H new ATOM 0 HH12 ARG A 31 5.751 -9.727 -3.662 1.00 3.15 H new ATOM 0 HH21 ARG A 31 2.429 -9.792 -4.837 1.00 2.59 H new ATOM 0 HH22 ARG A 31 3.838 -10.750 -4.371 1.00 2.59 H new ATOM 462 N ARG A 32 -2.098 -5.481 -2.885 1.00 0.95 N ATOM 463 CA ARG A 32 -2.952 -5.558 -1.712 1.00 1.05 C ATOM 464 C ARG A 32 -2.230 -6.448 -0.720 1.00 0.99 C ATOM 465 O ARG A 32 -2.088 -7.646 -0.944 1.00 1.64 O ATOM 466 CB ARG A 32 -4.320 -6.110 -2.124 1.00 1.50 C ATOM 467 CG ARG A 32 -5.426 -5.781 -1.119 1.00 2.14 C ATOM 468 CD ARG A 32 -5.245 -6.439 0.254 1.00 1.16 C ATOM 469 NE ARG A 32 -6.555 -6.746 0.842 1.00 1.90 N ATOM 470 CZ ARG A 32 -7.327 -7.791 0.524 1.00 2.06 C ATOM 471 NH1 ARG A 32 -8.540 -7.910 1.065 1.00 2.78 N ATOM 472 NH2 ARG A 32 -6.892 -8.701 -0.348 1.00 2.67 N ATOM 0 H ARG A 32 -2.320 -6.169 -3.605 1.00 0.95 H new ATOM 0 HA ARG A 32 -3.138 -4.587 -1.254 1.00 1.05 H new ATOM 0 HB2 ARG A 32 -4.590 -5.704 -3.099 1.00 1.50 H new ATOM 0 HB3 ARG A 32 -4.250 -7.192 -2.237 1.00 1.50 H new ATOM 0 HG2 ARG A 32 -5.472 -4.700 -0.988 1.00 2.14 H new ATOM 0 HG3 ARG A 32 -6.384 -6.093 -1.535 1.00 2.14 H new ATOM 0 HD2 ARG A 32 -4.659 -7.353 0.154 1.00 1.16 H new ATOM 0 HD3 ARG A 32 -4.688 -5.774 0.914 1.00 1.16 H new ATOM 0 HE ARG A 32 -6.907 -6.107 1.555 1.00 1.90 H new ATOM 0 HH11 ARG A 32 -8.878 -7.205 1.720 1.00 2.78 H new ATOM 0 HH12 ARG A 32 -9.130 -8.706 0.824 1.00 2.78 H new ATOM 0 HH21 ARG A 32 -5.970 -8.600 -0.773 1.00 2.67 H new ATOM 0 HH22 ARG A 32 -7.481 -9.498 -0.590 1.00 2.67 H new ATOM 486 N LEU A 33 -1.737 -5.843 0.349 1.00 0.77 N ATOM 487 CA LEU A 33 -0.989 -6.543 1.379 1.00 0.64 C ATOM 488 C LEU A 33 -1.962 -7.393 2.192 1.00 0.53 C ATOM 489 O LEU A 33 -3.120 -7.011 2.368 1.00 0.66 O ATOM 490 CB LEU A 33 -0.212 -5.561 2.269 1.00 0.58 C ATOM 491 CG LEU A 33 -0.952 -4.241 2.506 1.00 0.80 C ATOM 492 CD1 LEU A 33 -0.601 -3.672 3.883 1.00 0.94 C ATOM 493 CD2 LEU A 33 -0.534 -3.189 1.472 1.00 1.30 C ATOM 0 H LEU A 33 -1.846 -4.845 0.527 1.00 0.77 H new ATOM 0 HA LEU A 33 -0.246 -7.192 0.916 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -0.011 -6.034 3.230 1.00 0.58 H new ATOM 0 HB3 LEU A 33 0.753 -5.351 1.809 1.00 0.58 H new ATOM 0 HG LEU A 33 -2.018 -4.453 2.430 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -1.135 -2.734 4.036 1.00 0.94 H new ATOM 0 HD12 LEU A 33 -0.890 -4.384 4.656 1.00 0.94 H new ATOM 0 HD13 LEU A 33 0.473 -3.492 3.939 1.00 0.94 H new ATOM 0 HD21 LEU A 33 -1.072 -2.260 1.660 1.00 1.30 H new ATOM 0 HD22 LEU A 33 0.538 -3.009 1.549 1.00 1.30 H new ATOM 0 HD23 LEU A 33 -0.770 -3.549 0.471 1.00 1.30 H new ATOM 505 N PRO A 34 -1.498 -8.530 2.727 1.00 0.62 N ATOM 506 CA PRO A 34 -2.362 -9.548 3.304 1.00 0.78 C ATOM 507 C PRO A 34 -3.052 -9.077 4.588 1.00 0.86 C ATOM 508 O PRO A 34 -4.063 -9.649 4.976 1.00 1.09 O ATOM 509 CB PRO A 34 -1.460 -10.762 3.530 1.00 1.25 C ATOM 510 CG PRO A 34 -0.067 -10.158 3.698 1.00 1.21 C ATOM 511 CD PRO A 34 -0.097 -8.903 2.830 1.00 0.85 C ATOM 0 HA PRO A 34 -3.191 -9.789 2.638 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -1.761 -11.324 4.414 1.00 1.25 H new ATOM 0 HB3 PRO A 34 -1.498 -11.451 2.686 1.00 1.25 H new ATOM 0 HG2 PRO A 34 0.139 -9.916 4.741 1.00 1.21 H new ATOM 0 HG3 PRO A 34 0.709 -10.850 3.371 1.00 1.21 H new ATOM 0 HD2 PRO A 34 0.490 -8.102 3.280 1.00 0.85 H new ATOM 0 HD3 PRO A 34 0.330 -9.097 1.846 1.00 0.85 H new ATOM 519 N CYS A 35 -2.530 -8.017 5.218 1.00 0.92 N ATOM 520 CA CYS A 35 -3.171 -7.298 6.313 1.00 1.22 C ATOM 521 C CYS A 35 -4.612 -6.948 5.912 1.00 1.56 C ATOM 522 O CYS A 35 -5.547 -7.310 6.619 1.00 3.06 O ATOM 523 CB CYS A 35 -2.312 -6.047 6.589 1.00 1.02 C ATOM 524 SG CYS A 35 -3.231 -4.675 7.351 1.00 1.33 S ATOM 0 H CYS A 35 -1.621 -7.628 4.968 1.00 0.92 H new ATOM 0 HA CYS A 35 -3.235 -7.894 7.223 1.00 1.22 H new ATOM 0 HB2 CYS A 35 -1.484 -6.324 7.242 1.00 1.02 H new ATOM 0 HB3 CYS A 35 -1.877 -5.703 5.651 1.00 1.02 H new ATOM 529 N MET A 36 -4.775 -6.220 4.799 1.00 1.11 N ATOM 530 CA MET A 36 -6.035 -5.697 4.266 1.00 1.32 C ATOM 531 C MET A 36 -5.785 -4.503 3.349 1.00 0.92 C ATOM 532 O MET A 36 -6.534 -4.302 2.396 1.00 1.25 O ATOM 533 CB MET A 36 -7.077 -5.298 5.332 1.00 2.05 C ATOM 534 CG MET A 36 -6.536 -4.397 6.450 1.00 3.87 C ATOM 535 SD MET A 36 -7.801 -3.444 7.326 1.00 5.70 S ATOM 536 CE MET A 36 -6.837 -2.976 8.786 1.00 7.40 C ATOM 0 H MET A 36 -3.980 -5.966 4.212 1.00 1.11 H new ATOM 0 HA MET A 36 -6.461 -6.533 3.711 1.00 1.32 H new ATOM 0 HB2 MET A 36 -7.904 -4.786 4.839 1.00 2.05 H new ATOM 0 HB3 MET A 36 -7.485 -6.204 5.779 1.00 2.05 H new ATOM 0 HG2 MET A 36 -6.001 -5.016 7.171 1.00 3.87 H new ATOM 0 HG3 MET A 36 -5.810 -3.706 6.023 1.00 3.87 H new ATOM 0 HE1 MET A 36 -7.438 -3.128 9.683 1.00 7.40 H new ATOM 0 HE2 MET A 36 -5.939 -3.592 8.842 1.00 7.40 H new ATOM 0 HE3 MET A 36 -6.553 -1.926 8.713 1.00 7.40 H new ATOM 546 N HIS A 37 -4.785 -3.678 3.667 1.00 1.26 N ATOM 547 CA HIS A 37 -4.582 -2.402 2.990 1.00 0.94 C ATOM 548 C HIS A 37 -4.111 -2.587 1.540 1.00 0.89 C ATOM 549 O HIS A 37 -3.786 -3.687 1.098 1.00 1.14 O ATOM 550 CB HIS A 37 -3.595 -1.543 3.795 1.00 0.93 C ATOM 551 CG HIS A 37 -4.155 -0.990 5.080 1.00 1.03 C ATOM 552 ND1 HIS A 37 -3.783 -1.319 6.394 1.00 1.04 N ATOM 553 CD2 HIS A 37 -5.120 -0.022 5.120 1.00 1.33 C ATOM 554 CE1 HIS A 37 -4.560 -0.553 7.179 1.00 1.34 C ATOM 555 NE2 HIS A 37 -5.363 0.240 6.449 1.00 1.51 N ATOM 0 H HIS A 37 -4.100 -3.876 4.396 1.00 1.26 H new ATOM 0 HA HIS A 37 -5.541 -1.886 2.938 1.00 0.94 H new ATOM 0 HB2 HIS A 37 -2.714 -2.143 4.025 1.00 0.93 H new ATOM 0 HB3 HIS A 37 -3.262 -0.713 3.171 1.00 0.93 H new ATOM 0 HD1 HIS A 37 -3.076 -1.993 6.689 1.00 1.04 H new ATOM 0 HD2 HIS A 37 -5.599 0.446 4.273 1.00 1.33 H new ATOM 0 HE1 HIS A 37 -4.541 -0.572 8.259 1.00 1.34 H new ATOM 563 N LEU A 38 -4.048 -1.497 0.778 1.00 1.02 N ATOM 564 CA LEU A 38 -3.708 -1.536 -0.633 1.00 0.97 C ATOM 565 C LEU A 38 -2.770 -0.371 -0.903 1.00 0.83 C ATOM 566 O LEU A 38 -3.131 0.775 -0.648 1.00 0.85 O ATOM 567 CB LEU A 38 -5.012 -1.465 -1.433 1.00 1.12 C ATOM 568 CG LEU A 38 -4.793 -1.458 -2.950 1.00 1.15 C ATOM 569 CD1 LEU A 38 -5.791 -2.398 -3.630 1.00 1.71 C ATOM 570 CD2 LEU A 38 -4.998 -0.043 -3.477 1.00 1.77 C ATOM 0 H LEU A 38 -4.234 -0.558 1.130 1.00 1.02 H new ATOM 0 HA LEU A 38 -3.197 -2.452 -0.929 1.00 0.97 H new ATOM 0 HB2 LEU A 38 -5.640 -2.316 -1.167 1.00 1.12 H new ATOM 0 HB3 LEU A 38 -5.557 -0.565 -1.147 1.00 1.12 H new ATOM 0 HG LEU A 38 -3.780 -1.796 -3.168 1.00 1.15 H new ATOM 0 HD11 LEU A 38 -5.627 -2.385 -4.707 1.00 1.71 H new ATOM 0 HD12 LEU A 38 -5.651 -3.411 -3.253 1.00 1.71 H new ATOM 0 HD13 LEU A 38 -6.807 -2.068 -3.414 1.00 1.71 H new ATOM 0 HD21 LEU A 38 -4.844 -0.031 -4.556 1.00 1.77 H new ATOM 0 HD22 LEU A 38 -6.013 0.286 -3.252 1.00 1.77 H new ATOM 0 HD23 LEU A 38 -4.285 0.630 -3.001 1.00 1.77 H new ATOM 582 N PHE A 39 -1.545 -0.669 -1.331 1.00 0.77 N ATOM 583 CA PHE A 39 -0.456 0.295 -1.445 1.00 0.74 C ATOM 584 C PHE A 39 0.015 0.272 -2.900 1.00 0.65 C ATOM 585 O PHE A 39 -0.064 -0.769 -3.546 1.00 0.80 O ATOM 586 CB PHE A 39 0.689 -0.127 -0.503 1.00 0.75 C ATOM 587 CG PHE A 39 0.494 -0.010 1.010 1.00 0.93 C ATOM 588 CD1 PHE A 39 1.529 -0.445 1.857 1.00 2.60 C ATOM 589 CD2 PHE A 39 -0.681 0.496 1.601 1.00 1.53 C ATOM 590 CE1 PHE A 39 1.397 -0.407 3.254 1.00 2.82 C ATOM 591 CE2 PHE A 39 -0.829 0.507 3.000 1.00 1.52 C ATOM 592 CZ PHE A 39 0.210 0.063 3.831 1.00 1.42 C ATOM 0 H PHE A 39 -1.277 -1.611 -1.615 1.00 0.77 H new ATOM 0 HA PHE A 39 -0.778 1.299 -1.168 1.00 0.74 H new ATOM 0 HB2 PHE A 39 0.928 -1.167 -0.723 1.00 0.75 H new ATOM 0 HB3 PHE A 39 1.566 0.464 -0.767 1.00 0.75 H new ATOM 0 HD1 PHE A 39 2.446 -0.816 1.423 1.00 2.60 H new ATOM 0 HD2 PHE A 39 -1.474 0.878 0.975 1.00 1.53 H new ATOM 0 HE1 PHE A 39 2.209 -0.740 3.883 1.00 2.82 H new ATOM 0 HE2 PHE A 39 -1.751 0.860 3.438 1.00 1.52 H new ATOM 0 HZ PHE A 39 0.096 0.083 4.905 1.00 1.42 H new ATOM 602 N HIS A 40 0.521 1.388 -3.431 1.00 0.56 N ATOM 603 CA HIS A 40 1.126 1.398 -4.768 1.00 0.54 C ATOM 604 C HIS A 40 2.207 0.338 -4.861 1.00 0.49 C ATOM 605 O HIS A 40 2.902 0.104 -3.882 1.00 0.54 O ATOM 606 CB HIS A 40 1.821 2.738 -5.026 1.00 0.58 C ATOM 607 CG HIS A 40 0.958 3.818 -5.594 1.00 0.62 C ATOM 608 ND1 HIS A 40 0.756 5.087 -5.044 1.00 0.79 N ATOM 609 CD2 HIS A 40 0.342 3.727 -6.806 1.00 0.68 C ATOM 610 CE1 HIS A 40 -0.003 5.728 -5.958 1.00 0.95 C ATOM 611 NE2 HIS A 40 -0.262 4.939 -7.013 1.00 0.88 N ATOM 0 H HIS A 40 0.525 2.293 -2.960 1.00 0.56 H new ATOM 0 HA HIS A 40 0.328 1.219 -5.489 1.00 0.54 H new ATOM 0 HB2 HIS A 40 2.244 3.093 -4.087 1.00 0.58 H new ATOM 0 HB3 HIS A 40 2.655 2.569 -5.708 1.00 0.58 H new ATOM 0 HD2 HIS A 40 0.332 2.874 -7.468 1.00 0.68 H new ATOM 0 HE1 HIS A 40 -0.356 6.743 -5.854 1.00 0.95 H new ATOM 0 HE2 HIS A 40 -0.815 5.198 -7.830 1.00 0.88 H new ATOM 619 N GLN A 41 2.433 -0.218 -6.051 1.00 0.52 N ATOM 620 CA GLN A 41 3.554 -1.117 -6.281 1.00 0.49 C ATOM 621 C GLN A 41 4.894 -0.426 -6.008 1.00 0.56 C ATOM 622 O GLN A 41 5.857 -1.091 -5.641 1.00 0.94 O ATOM 623 CB GLN A 41 3.469 -1.691 -7.705 1.00 0.58 C ATOM 624 CG GLN A 41 2.914 -3.112 -7.607 1.00 1.47 C ATOM 625 CD GLN A 41 2.613 -3.707 -8.977 1.00 1.37 C ATOM 626 OE1 GLN A 41 3.497 -3.808 -9.816 1.00 1.66 O ATOM 627 NE2 GLN A 41 1.376 -4.120 -9.223 1.00 1.58 N ATOM 0 H GLN A 41 1.849 -0.058 -6.872 1.00 0.52 H new ATOM 0 HA GLN A 41 3.496 -1.947 -5.577 1.00 0.49 H new ATOM 0 HB2 GLN A 41 2.824 -1.072 -8.328 1.00 0.58 H new ATOM 0 HB3 GLN A 41 4.453 -1.697 -8.173 1.00 0.58 H new ATOM 0 HG2 GLN A 41 3.632 -3.746 -7.087 1.00 1.47 H new ATOM 0 HG3 GLN A 41 2.003 -3.104 -7.008 1.00 1.47 H new ATOM 0 HE21 GLN A 41 0.655 -4.026 -8.508 1.00 1.58 H new ATOM 0 HE22 GLN A 41 1.146 -4.532 -10.127 1.00 1.58 H new ATOM 636 N VAL A 42 4.967 0.899 -6.159 1.00 0.77 N ATOM 637 CA VAL A 42 6.180 1.646 -5.855 1.00 0.85 C ATOM 638 C VAL A 42 6.242 1.993 -4.364 1.00 0.81 C ATOM 639 O VAL A 42 7.233 1.668 -3.718 1.00 0.78 O ATOM 640 CB VAL A 42 6.292 2.877 -6.768 1.00 0.97 C ATOM 641 CG1 VAL A 42 7.579 3.662 -6.493 1.00 1.09 C ATOM 642 CG2 VAL A 42 6.310 2.420 -8.234 1.00 1.05 C ATOM 0 H VAL A 42 4.194 1.475 -6.492 1.00 0.77 H new ATOM 0 HA VAL A 42 7.050 1.023 -6.061 1.00 0.85 H new ATOM 0 HB VAL A 42 5.436 3.522 -6.569 1.00 0.97 H new ATOM 0 HG11 VAL A 42 7.627 4.526 -7.156 1.00 1.09 H new ATOM 0 HG12 VAL A 42 7.585 3.999 -5.456 1.00 1.09 H new ATOM 0 HG13 VAL A 42 8.442 3.020 -6.671 1.00 1.09 H new ATOM 0 HG21 VAL A 42 6.389 3.290 -8.885 1.00 1.05 H new ATOM 0 HG22 VAL A 42 7.164 1.763 -8.400 1.00 1.05 H new ATOM 0 HG23 VAL A 42 5.389 1.881 -8.459 1.00 1.05 H new ATOM 652 N CYS A 43 5.213 2.629 -3.785 1.00 0.82 N ATOM 653 CA CYS A 43 5.261 3.021 -2.376 1.00 0.75 C ATOM 654 C CYS A 43 5.529 1.786 -1.496 1.00 0.64 C ATOM 655 O CYS A 43 6.328 1.835 -0.563 1.00 0.64 O ATOM 656 CB CYS A 43 3.936 3.675 -1.946 1.00 0.79 C ATOM 657 SG CYS A 43 3.498 5.138 -2.947 1.00 1.03 S ATOM 0 H CYS A 43 4.349 2.879 -4.267 1.00 0.82 H new ATOM 0 HA CYS A 43 6.067 3.744 -2.250 1.00 0.75 H new ATOM 0 HB2 CYS A 43 3.135 2.940 -2.019 1.00 0.79 H new ATOM 0 HB3 CYS A 43 4.006 3.967 -0.898 1.00 0.79 H new ATOM 662 N VAL A 44 4.846 0.674 -1.779 1.00 0.56 N ATOM 663 CA VAL A 44 4.971 -0.568 -1.033 1.00 0.44 C ATOM 664 C VAL A 44 6.374 -1.160 -1.140 1.00 0.60 C ATOM 665 O VAL A 44 6.732 -1.978 -0.307 1.00 0.58 O ATOM 666 CB VAL A 44 3.927 -1.587 -1.501 1.00 0.51 C ATOM 667 CG1 VAL A 44 4.365 -2.225 -2.803 1.00 0.84 C ATOM 668 CG2 VAL A 44 3.708 -2.729 -0.511 1.00 0.78 C ATOM 0 H VAL A 44 4.179 0.617 -2.549 1.00 0.56 H new ATOM 0 HA VAL A 44 4.792 -0.333 0.016 1.00 0.44 H new ATOM 0 HB VAL A 44 3.000 -1.023 -1.606 1.00 0.51 H new ATOM 0 HG11 VAL A 44 3.615 -2.947 -3.125 1.00 0.84 H new ATOM 0 HG12 VAL A 44 4.478 -1.455 -3.566 1.00 0.84 H new ATOM 0 HG13 VAL A 44 5.318 -2.733 -2.657 1.00 0.84 H new ATOM 0 HG21 VAL A 44 2.957 -3.413 -0.905 1.00 0.78 H new ATOM 0 HG22 VAL A 44 4.645 -3.266 -0.362 1.00 0.78 H new ATOM 0 HG23 VAL A 44 3.366 -2.324 0.441 1.00 0.78 H new ATOM 678 N ASP A 45 7.151 -0.827 -2.170 1.00 0.80 N ATOM 679 CA ASP A 45 8.496 -1.365 -2.321 1.00 0.95 C ATOM 680 C ASP A 45 9.335 -0.899 -1.138 1.00 0.92 C ATOM 681 O ASP A 45 9.774 -1.689 -0.302 1.00 0.90 O ATOM 682 CB ASP A 45 9.106 -0.917 -3.654 1.00 1.17 C ATOM 683 CG ASP A 45 10.490 -1.528 -3.849 1.00 1.75 C ATOM 684 OD1 ASP A 45 10.617 -2.741 -3.574 1.00 1.83 O ATOM 685 OD2 ASP A 45 11.396 -0.773 -4.263 1.00 3.20 O ATOM 0 H ASP A 45 6.869 -0.186 -2.912 1.00 0.80 H new ATOM 0 HA ASP A 45 8.468 -2.455 -2.333 1.00 0.95 H new ATOM 0 HB2 ASP A 45 8.454 -1.213 -4.475 1.00 1.17 H new ATOM 0 HB3 ASP A 45 9.177 0.170 -3.680 1.00 1.17 H new ATOM 690 N GLN A 46 9.492 0.419 -1.009 1.00 0.97 N ATOM 691 CA GLN A 46 10.224 0.975 0.118 1.00 1.02 C ATOM 692 C GLN A 46 9.500 0.716 1.436 1.00 0.93 C ATOM 693 O GLN A 46 10.141 0.623 2.476 1.00 1.03 O ATOM 694 CB GLN A 46 10.512 2.464 -0.094 1.00 1.11 C ATOM 695 CG GLN A 46 11.393 2.664 -1.336 1.00 1.17 C ATOM 696 CD GLN A 46 11.967 4.076 -1.414 1.00 2.27 C ATOM 697 OE1 GLN A 46 11.369 5.037 -0.948 1.00 3.57 O ATOM 698 NE2 GLN A 46 13.146 4.230 -2.004 1.00 2.53 N ATOM 0 H GLN A 46 9.126 1.110 -1.664 1.00 0.97 H new ATOM 0 HA GLN A 46 11.185 0.464 0.178 1.00 1.02 H new ATOM 0 HB2 GLN A 46 9.576 3.009 -0.212 1.00 1.11 H new ATOM 0 HB3 GLN A 46 11.011 2.874 0.784 1.00 1.11 H new ATOM 0 HG2 GLN A 46 12.209 1.942 -1.320 1.00 1.17 H new ATOM 0 HG3 GLN A 46 10.806 2.462 -2.232 1.00 1.17 H new ATOM 0 HE21 GLN A 46 13.634 3.421 -2.388 1.00 2.53 H new ATOM 0 HE22 GLN A 46 13.564 5.158 -2.073 1.00 2.53 H new ATOM 707 N ALA A 47 8.181 0.545 1.422 1.00 0.76 N ATOM 708 CA ALA A 47 7.483 0.126 2.623 1.00 0.67 C ATOM 709 C ALA A 47 8.038 -1.209 3.124 1.00 0.64 C ATOM 710 O ALA A 47 8.483 -1.303 4.260 1.00 0.75 O ATOM 711 CB ALA A 47 5.993 0.021 2.327 1.00 0.52 C ATOM 0 H ALA A 47 7.587 0.688 0.605 1.00 0.76 H new ATOM 0 HA ALA A 47 7.636 0.865 3.410 1.00 0.67 H new ATOM 0 HB1 ALA A 47 5.465 -0.294 3.227 1.00 0.52 H new ATOM 0 HB2 ALA A 47 5.616 0.992 2.006 1.00 0.52 H new ATOM 0 HB3 ALA A 47 5.830 -0.711 1.536 1.00 0.52 H new ATOM 717 N LEU A 48 8.008 -2.233 2.271 1.00 0.60 N ATOM 718 CA LEU A 48 8.400 -3.600 2.559 1.00 0.65 C ATOM 719 C LEU A 48 9.842 -3.650 3.048 1.00 0.85 C ATOM 720 O LEU A 48 10.116 -4.278 4.071 1.00 0.83 O ATOM 721 CB LEU A 48 8.158 -4.440 1.292 1.00 0.80 C ATOM 722 CG LEU A 48 8.311 -5.957 1.480 1.00 0.93 C ATOM 723 CD1 LEU A 48 7.482 -6.687 0.418 1.00 1.24 C ATOM 724 CD2 LEU A 48 9.761 -6.434 1.341 1.00 1.31 C ATOM 0 H LEU A 48 7.691 -2.117 1.309 1.00 0.60 H new ATOM 0 HA LEU A 48 7.801 -4.020 3.367 1.00 0.65 H new ATOM 0 HB2 LEU A 48 7.153 -4.234 0.924 1.00 0.80 H new ATOM 0 HB3 LEU A 48 8.853 -4.113 0.519 1.00 0.80 H new ATOM 0 HG LEU A 48 7.970 -6.180 2.491 1.00 0.93 H new ATOM 0 HD11 LEU A 48 7.589 -7.764 0.550 1.00 1.24 H new ATOM 0 HD12 LEU A 48 6.433 -6.411 0.523 1.00 1.24 H new ATOM 0 HD13 LEU A 48 7.834 -6.406 -0.575 1.00 1.24 H new ATOM 0 HD21 LEU A 48 9.804 -7.514 1.484 1.00 1.31 H new ATOM 0 HD22 LEU A 48 10.132 -6.185 0.347 1.00 1.31 H new ATOM 0 HD23 LEU A 48 10.379 -5.943 2.093 1.00 1.31 H new ATOM 736 N ILE A 49 10.776 -3.014 2.332 1.00 1.06 N ATOM 737 CA ILE A 49 12.175 -3.034 2.745 1.00 1.27 C ATOM 738 C ILE A 49 12.345 -2.363 4.109 1.00 1.28 C ATOM 739 O ILE A 49 13.138 -2.834 4.920 1.00 1.38 O ATOM 740 CB ILE A 49 13.113 -2.450 1.669 1.00 1.52 C ATOM 741 CG1 ILE A 49 13.023 -0.927 1.526 1.00 1.56 C ATOM 742 CG2 ILE A 49 12.883 -3.146 0.321 1.00 1.57 C ATOM 743 CD1 ILE A 49 14.107 -0.195 2.322 1.00 1.78 C ATOM 0 H ILE A 49 10.589 -2.488 1.478 1.00 1.06 H new ATOM 0 HA ILE A 49 12.475 -4.076 2.857 1.00 1.27 H new ATOM 0 HB ILE A 49 14.129 -2.651 2.010 1.00 1.52 H new ATOM 0 HG12 ILE A 49 13.108 -0.659 0.473 1.00 1.56 H new ATOM 0 HG13 ILE A 49 12.042 -0.592 1.862 1.00 1.56 H new ATOM 0 HG21 ILE A 49 13.553 -2.722 -0.427 1.00 1.57 H new ATOM 0 HG22 ILE A 49 13.083 -4.213 0.423 1.00 1.57 H new ATOM 0 HG23 ILE A 49 11.850 -2.999 0.007 1.00 1.57 H new ATOM 0 HD11 ILE A 49 13.996 0.881 2.184 1.00 1.78 H new ATOM 0 HD12 ILE A 49 14.008 -0.438 3.380 1.00 1.78 H new ATOM 0 HD13 ILE A 49 15.090 -0.506 1.969 1.00 1.78 H new ATOM 755 N THR A 50 11.628 -1.267 4.375 1.00 1.22 N ATOM 756 CA THR A 50 11.737 -0.575 5.648 1.00 1.29 C ATOM 757 C THR A 50 11.224 -1.475 6.774 1.00 1.22 C ATOM 758 O THR A 50 11.896 -1.640 7.790 1.00 1.32 O ATOM 759 CB THR A 50 11.019 0.781 5.554 1.00 1.26 C ATOM 760 OG1 THR A 50 11.797 1.634 4.741 1.00 1.31 O ATOM 761 CG2 THR A 50 10.833 1.469 6.907 1.00 1.36 C ATOM 0 H THR A 50 10.968 -0.846 3.721 1.00 1.22 H new ATOM 0 HA THR A 50 12.778 -0.359 5.887 1.00 1.29 H new ATOM 0 HB THR A 50 10.027 0.591 5.144 1.00 1.26 H new ATOM 0 HG1 THR A 50 11.502 1.557 3.810 1.00 1.31 H new ATOM 0 HG21 THR A 50 10.320 2.420 6.764 1.00 1.36 H new ATOM 0 HG22 THR A 50 10.239 0.831 7.561 1.00 1.36 H new ATOM 0 HG23 THR A 50 11.808 1.647 7.361 1.00 1.36 H new ATOM 769 N ASN A 51 10.053 -2.085 6.599 1.00 1.04 N ATOM 770 CA ASN A 51 9.557 -3.141 7.462 1.00 0.88 C ATOM 771 C ASN A 51 8.504 -3.938 6.696 1.00 0.66 C ATOM 772 O ASN A 51 7.492 -3.382 6.289 1.00 0.70 O ATOM 773 CB ASN A 51 8.992 -2.571 8.778 1.00 0.96 C ATOM 774 CG ASN A 51 8.006 -1.412 8.633 1.00 2.98 C ATOM 775 OD1 ASN A 51 8.346 -0.268 8.904 1.00 3.97 O ATOM 776 ND2 ASN A 51 6.755 -1.669 8.291 1.00 4.73 N ATOM 0 H ASN A 51 9.415 -1.851 5.838 1.00 1.04 H new ATOM 0 HA ASN A 51 10.378 -3.802 7.741 1.00 0.88 H new ATOM 0 HB2 ASN A 51 8.498 -3.378 9.319 1.00 0.96 H new ATOM 0 HB3 ASN A 51 9.826 -2.238 9.395 1.00 0.96 H new ATOM 0 HD21 ASN A 51 6.071 -0.913 8.253 1.00 4.73 H new ATOM 0 HD22 ASN A 51 6.474 -2.623 8.065 1.00 4.73 H new ATOM 783 N LYS A 52 8.706 -5.251 6.531 1.00 0.61 N ATOM 784 CA LYS A 52 7.733 -6.091 5.835 1.00 0.67 C ATOM 785 C LYS A 52 6.353 -5.937 6.459 1.00 0.89 C ATOM 786 O LYS A 52 5.422 -5.507 5.788 1.00 2.59 O ATOM 787 CB LYS A 52 8.172 -7.564 5.777 1.00 0.68 C ATOM 788 CG LYS A 52 9.278 -7.804 4.738 1.00 1.93 C ATOM 789 CD LYS A 52 10.685 -7.997 5.310 1.00 2.19 C ATOM 790 CE LYS A 52 10.852 -9.396 5.919 1.00 2.40 C ATOM 791 NZ LYS A 52 10.964 -9.371 7.393 1.00 3.15 N ATOM 0 H LYS A 52 9.530 -5.749 6.869 1.00 0.61 H new ATOM 0 HA LYS A 52 7.679 -5.748 4.802 1.00 0.67 H new ATOM 0 HB2 LYS A 52 8.527 -7.874 6.760 1.00 0.68 H new ATOM 0 HB3 LYS A 52 7.311 -8.188 5.538 1.00 0.68 H new ATOM 0 HG2 LYS A 52 9.018 -8.686 4.153 1.00 1.93 H new ATOM 0 HG3 LYS A 52 9.297 -6.959 4.050 1.00 1.93 H new ATOM 0 HD2 LYS A 52 11.424 -7.851 4.522 1.00 2.19 H new ATOM 0 HD3 LYS A 52 10.877 -7.241 6.071 1.00 2.19 H new ATOM 0 HE2 LYS A 52 10.001 -10.015 5.635 1.00 2.40 H new ATOM 0 HE3 LYS A 52 11.742 -9.866 5.500 1.00 2.40 H new ATOM 0 HZ1 LYS A 52 11.075 -10.342 7.749 1.00 3.15 H new ATOM 0 HZ2 LYS A 52 11.791 -8.804 7.669 1.00 3.15 H new ATOM 0 HZ3 LYS A 52 10.105 -8.949 7.799 1.00 3.15 H new ATOM 805 N LYS A 53 6.201 -6.304 7.732 1.00 1.19 N ATOM 806 CA LYS A 53 4.900 -6.228 8.382 1.00 1.26 C ATOM 807 C LYS A 53 4.278 -4.852 8.173 1.00 1.20 C ATOM 808 O LYS A 53 4.985 -3.853 8.294 1.00 1.54 O ATOM 809 CB LYS A 53 5.009 -6.630 9.867 1.00 1.88 C ATOM 810 CG LYS A 53 5.953 -5.739 10.699 1.00 1.96 C ATOM 811 CD LYS A 53 5.241 -4.569 11.395 1.00 2.29 C ATOM 812 CE LYS A 53 6.253 -3.513 11.857 1.00 2.88 C ATOM 813 NZ LYS A 53 7.057 -3.965 13.015 1.00 3.34 N ATOM 0 H LYS A 53 6.955 -6.652 8.324 1.00 1.19 H new ATOM 0 HA LYS A 53 4.223 -6.946 7.920 1.00 1.26 H new ATOM 0 HB2 LYS A 53 4.015 -6.601 10.313 1.00 1.88 H new ATOM 0 HB3 LYS A 53 5.356 -7.662 9.927 1.00 1.88 H new ATOM 0 HG2 LYS A 53 6.447 -6.352 11.452 1.00 1.96 H new ATOM 0 HG3 LYS A 53 6.733 -5.343 10.048 1.00 1.96 H new ATOM 0 HD2 LYS A 53 4.523 -4.116 10.712 1.00 2.29 H new ATOM 0 HD3 LYS A 53 4.677 -4.938 12.252 1.00 2.29 H new ATOM 0 HE2 LYS A 53 6.919 -3.267 11.030 1.00 2.88 H new ATOM 0 HE3 LYS A 53 5.723 -2.598 12.122 1.00 2.88 H new ATOM 0 HZ1 LYS A 53 7.725 -3.216 13.288 1.00 3.34 H new ATOM 0 HZ2 LYS A 53 6.426 -4.175 13.815 1.00 3.34 H new ATOM 0 HZ3 LYS A 53 7.586 -4.823 12.757 1.00 3.34 H new ATOM 827 N CYS A 54 2.980 -4.813 7.848 1.00 0.99 N ATOM 828 CA CYS A 54 2.290 -3.601 7.415 1.00 0.99 C ATOM 829 C CYS A 54 2.562 -2.506 8.456 1.00 1.14 C ATOM 830 O CYS A 54 2.318 -2.740 9.638 1.00 1.11 O ATOM 831 CB CYS A 54 0.782 -3.902 7.339 1.00 0.83 C ATOM 832 SG CYS A 54 -0.215 -2.423 6.940 1.00 0.99 S ATOM 0 H CYS A 54 2.376 -5.634 7.880 1.00 0.99 H new ATOM 0 HA CYS A 54 2.639 -3.271 6.436 1.00 0.99 H new ATOM 0 HB2 CYS A 54 0.606 -4.668 6.583 1.00 0.83 H new ATOM 0 HB3 CYS A 54 0.449 -4.313 8.292 1.00 0.83 H new ATOM 0 HG CYS A 54 -1.333 -2.462 7.602 1.00 0.99 H new ATOM 837 N PRO A 55 3.028 -1.311 8.057 1.00 1.39 N ATOM 838 CA PRO A 55 3.391 -0.251 8.988 1.00 1.61 C ATOM 839 C PRO A 55 2.189 0.257 9.782 1.00 1.66 C ATOM 840 O PRO A 55 2.367 0.843 10.846 1.00 2.43 O ATOM 841 CB PRO A 55 4.005 0.863 8.133 1.00 1.82 C ATOM 842 CG PRO A 55 3.427 0.620 6.739 1.00 1.78 C ATOM 843 CD PRO A 55 3.254 -0.895 6.686 1.00 1.53 C ATOM 0 HA PRO A 55 4.093 -0.618 9.736 1.00 1.61 H new ATOM 0 HB2 PRO A 55 3.736 1.850 8.510 1.00 1.82 H new ATOM 0 HB3 PRO A 55 5.094 0.809 8.129 1.00 1.82 H new ATOM 0 HG2 PRO A 55 2.478 1.138 6.602 1.00 1.78 H new ATOM 0 HG3 PRO A 55 4.099 0.975 5.958 1.00 1.78 H new ATOM 0 HD2 PRO A 55 2.414 -1.171 6.049 1.00 1.53 H new ATOM 0 HD3 PRO A 55 4.140 -1.376 6.271 1.00 1.53 H new ATOM 851 N ILE A 56 0.972 0.055 9.271 1.00 1.58 N ATOM 852 CA ILE A 56 -0.251 0.554 9.884 1.00 1.55 C ATOM 853 C ILE A 56 -1.134 -0.628 10.336 1.00 1.51 C ATOM 854 O ILE A 56 -2.315 -0.440 10.612 1.00 2.10 O ATOM 855 CB ILE A 56 -0.913 1.539 8.891 1.00 1.82 C ATOM 856 CG1 ILE A 56 -1.966 2.462 9.533 1.00 2.09 C ATOM 857 CG2 ILE A 56 -1.504 0.795 7.690 1.00 3.11 C ATOM 858 CD1 ILE A 56 -1.307 3.698 10.150 1.00 2.92 C ATOM 0 H ILE A 56 0.812 -0.467 8.409 1.00 1.58 H new ATOM 0 HA ILE A 56 -0.061 1.115 10.799 1.00 1.55 H new ATOM 0 HB ILE A 56 -0.111 2.193 8.548 1.00 1.82 H new ATOM 0 HG12 ILE A 56 -2.692 2.770 8.781 1.00 2.09 H new ATOM 0 HG13 ILE A 56 -2.514 1.916 10.301 1.00 2.09 H new ATOM 0 HG21 ILE A 56 -1.963 1.511 7.008 1.00 3.11 H new ATOM 0 HG22 ILE A 56 -0.712 0.256 7.171 1.00 3.11 H new ATOM 0 HG23 ILE A 56 -2.258 0.088 8.035 1.00 3.11 H new ATOM 0 HD11 ILE A 56 -2.072 4.333 10.597 1.00 2.92 H new ATOM 0 HD12 ILE A 56 -0.599 3.388 10.918 1.00 2.92 H new ATOM 0 HD13 ILE A 56 -0.780 4.255 9.375 1.00 2.92 H new ATOM 870 N CYS A 57 -0.573 -1.844 10.422 1.00 1.47 N ATOM 871 CA CYS A 57 -1.175 -2.962 11.145 1.00 1.36 C ATOM 872 C CYS A 57 -0.024 -3.668 11.878 1.00 1.44 C ATOM 873 O CYS A 57 0.953 -3.031 12.260 1.00 2.43 O ATOM 874 CB CYS A 57 -1.900 -3.947 10.197 1.00 1.36 C ATOM 875 SG CYS A 57 -3.066 -3.163 9.055 1.00 1.43 S ATOM 0 H CYS A 57 0.319 -2.075 9.986 1.00 1.47 H new ATOM 0 HA CYS A 57 -1.935 -2.599 11.837 1.00 1.36 H new ATOM 0 HB2 CYS A 57 -1.154 -4.491 9.618 1.00 1.36 H new ATOM 0 HB3 CYS A 57 -2.436 -4.682 10.797 1.00 1.36 H new ATOM 880 N ARG A 58 -0.130 -4.984 12.089 1.00 2.01 N ATOM 881 CA ARG A 58 0.889 -5.796 12.742 1.00 2.13 C ATOM 882 C ARG A 58 0.786 -7.223 12.200 1.00 2.08 C ATOM 883 O ARG A 58 0.592 -8.177 12.946 1.00 2.80 O ATOM 884 CB ARG A 58 0.682 -5.707 14.269 1.00 2.43 C ATOM 885 CG ARG A 58 1.689 -4.768 14.943 1.00 2.00 C ATOM 886 CD ARG A 58 1.058 -4.167 16.204 1.00 2.41 C ATOM 887 NE ARG A 58 2.067 -3.811 17.212 1.00 2.60 N ATOM 888 CZ ARG A 58 2.595 -4.668 18.097 1.00 3.34 C ATOM 889 NH1 ARG A 58 3.451 -4.233 19.023 1.00 3.89 N ATOM 890 NH2 ARG A 58 2.267 -5.961 18.055 1.00 4.24 N ATOM 0 H ARG A 58 -0.948 -5.522 11.802 1.00 2.01 H new ATOM 0 HA ARG A 58 1.898 -5.440 12.533 1.00 2.13 H new ATOM 0 HB2 ARG A 58 -0.330 -5.358 14.476 1.00 2.43 H new ATOM 0 HB3 ARG A 58 0.771 -6.703 14.703 1.00 2.43 H new ATOM 0 HG2 ARG A 58 2.596 -5.314 15.202 1.00 2.00 H new ATOM 0 HG3 ARG A 58 1.980 -3.974 14.255 1.00 2.00 H new ATOM 0 HD2 ARG A 58 0.486 -3.279 15.935 1.00 2.41 H new ATOM 0 HD3 ARG A 58 0.355 -4.881 16.632 1.00 2.41 H new ATOM 0 HE ARG A 58 2.388 -2.843 17.240 1.00 2.60 H new ATOM 0 HH11 ARG A 58 3.705 -3.246 19.059 1.00 3.89 H new ATOM 0 HH12 ARG A 58 3.851 -4.888 19.695 1.00 3.89 H new ATOM 0 HH21 ARG A 58 1.613 -6.299 17.348 1.00 4.24 H new ATOM 0 HH22 ARG A 58 2.670 -6.612 18.729 1.00 4.24 H new ATOM 904 N VAL A 59 0.914 -7.372 10.882 1.00 1.68 N ATOM 905 CA VAL A 59 0.893 -8.670 10.224 1.00 1.67 C ATOM 906 C VAL A 59 1.979 -8.625 9.167 1.00 1.42 C ATOM 907 O VAL A 59 2.142 -7.596 8.508 1.00 1.20 O ATOM 908 CB VAL A 59 -0.483 -8.960 9.593 1.00 1.69 C ATOM 909 CG1 VAL A 59 -0.617 -10.459 9.304 1.00 2.39 C ATOM 910 CG2 VAL A 59 -1.648 -8.534 10.494 1.00 1.88 C ATOM 0 H VAL A 59 1.036 -6.588 10.240 1.00 1.68 H new ATOM 0 HA VAL A 59 1.070 -9.472 10.940 1.00 1.67 H new ATOM 0 HB VAL A 59 -0.535 -8.377 8.673 1.00 1.69 H new ATOM 0 HG11 VAL A 59 -1.592 -10.658 8.858 1.00 2.39 H new ATOM 0 HG12 VAL A 59 0.168 -10.768 8.614 1.00 2.39 H new ATOM 0 HG13 VAL A 59 -0.523 -11.019 10.235 1.00 2.39 H new ATOM 0 HG21 VAL A 59 -2.592 -8.762 10.000 1.00 1.88 H new ATOM 0 HG22 VAL A 59 -1.594 -9.074 11.439 1.00 1.88 H new ATOM 0 HG23 VAL A 59 -1.587 -7.463 10.685 1.00 1.88 H new ATOM 920 N ASP A 60 2.753 -9.702 9.052 1.00 1.48 N ATOM 921 CA ASP A 60 3.786 -9.790 8.037 1.00 1.32 C ATOM 922 C ASP A 60 3.149 -9.870 6.652 1.00 1.25 C ATOM 923 O ASP A 60 2.023 -10.347 6.512 1.00 1.34 O ATOM 924 CB ASP A 60 4.687 -10.994 8.292 1.00 1.58 C ATOM 925 CG ASP A 60 5.825 -10.998 7.270 1.00 1.70 C ATOM 926 OD1 ASP A 60 6.295 -9.886 6.925 1.00 2.02 O ATOM 927 OD2 ASP A 60 6.166 -12.093 6.787 1.00 2.58 O ATOM 0 H ASP A 60 2.680 -10.523 9.652 1.00 1.48 H new ATOM 0 HA ASP A 60 4.404 -8.893 8.083 1.00 1.32 H new ATOM 0 HB2 ASP A 60 5.091 -10.953 9.303 1.00 1.58 H new ATOM 0 HB3 ASP A 60 4.111 -11.916 8.216 1.00 1.58 H new ATOM 932 N ILE A 61 3.871 -9.407 5.634 1.00 1.12 N ATOM 933 CA ILE A 61 3.420 -9.418 4.256 1.00 1.07 C ATOM 934 C ILE A 61 4.296 -10.292 3.365 1.00 1.14 C ATOM 935 O ILE A 61 3.885 -10.611 2.255 1.00 1.15 O ATOM 936 CB ILE A 61 3.334 -7.990 3.728 1.00 0.91 C ATOM 937 CG1 ILE A 61 4.739 -7.427 3.485 1.00 0.97 C ATOM 938 CG2 ILE A 61 2.532 -7.117 4.704 1.00 0.84 C ATOM 939 CD1 ILE A 61 4.648 -6.038 2.874 1.00 0.79 C ATOM 0 H ILE A 61 4.802 -9.008 5.752 1.00 1.12 H new ATOM 0 HA ILE A 61 2.425 -9.863 4.232 1.00 1.07 H new ATOM 0 HB ILE A 61 2.811 -7.989 2.772 1.00 0.91 H new ATOM 0 HG12 ILE A 61 5.289 -7.384 4.425 1.00 0.97 H new ATOM 0 HG13 ILE A 61 5.294 -8.089 2.821 1.00 0.97 H new ATOM 0 HG21 ILE A 61 2.475 -6.099 4.319 1.00 0.84 H new ATOM 0 HG22 ILE A 61 1.525 -7.521 4.811 1.00 0.84 H new ATOM 0 HG23 ILE A 61 3.025 -7.111 5.676 1.00 0.84 H new ATOM 0 HD11 ILE A 61 5.652 -5.648 2.706 1.00 0.79 H new ATOM 0 HD12 ILE A 61 4.116 -6.092 1.924 1.00 0.79 H new ATOM 0 HD13 ILE A 61 4.111 -5.376 3.553 1.00 0.79 H new ATOM 951 N GLU A 62 5.500 -10.648 3.828 1.00 1.19 N ATOM 952 CA GLU A 62 6.405 -11.556 3.125 1.00 1.29 C ATOM 953 C GLU A 62 5.667 -12.851 2.763 1.00 1.40 C ATOM 954 O GLU A 62 5.802 -13.352 1.652 1.00 3.08 O ATOM 955 CB GLU A 62 7.646 -11.800 4.002 1.00 1.33 C ATOM 956 CG GLU A 62 8.953 -11.939 3.211 1.00 1.62 C ATOM 957 CD GLU A 62 9.140 -13.306 2.554 1.00 2.72 C ATOM 958 OE1 GLU A 62 9.228 -14.294 3.316 1.00 3.05 O ATOM 959 OE2 GLU A 62 9.283 -13.329 1.312 1.00 4.24 O ATOM 0 H GLU A 62 5.875 -10.307 4.713 1.00 1.19 H new ATOM 0 HA GLU A 62 6.743 -11.116 2.187 1.00 1.29 H new ATOM 0 HB2 GLU A 62 7.747 -10.976 4.708 1.00 1.33 H new ATOM 0 HB3 GLU A 62 7.491 -12.705 4.589 1.00 1.33 H new ATOM 0 HG2 GLU A 62 8.982 -11.170 2.439 1.00 1.62 H new ATOM 0 HG3 GLU A 62 9.792 -11.751 3.880 1.00 1.62 H new