USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 485 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 908 SER OG : rot -39:sc= 1.3 USER MOD Set 1.2: A 949 HIS :FLIP no HE2:sc= -2.7! F(o=-2.3,f=-1.4!) USER MOD Set 2.1: A 901 GLN : amide:sc= 0.0808 K(o=-0.3,f=-2.2) USER MOD Set 2.2: A 904 LYS NZ :NH3+ 153:sc= -0.383 (180deg=-0.511) USER MOD Single : A 902 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.5!) USER MOD Single : A 910 MET CE :methyl -159:sc= -0.0864 (180deg=-0.614) USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 914 SER OG : rot 180:sc= 0 USER MOD Single : A 917 SER OG : rot 180:sc= 0 USER MOD Single : A 919 SER OG : rot 180:sc= 0 USER MOD Single : A 921 THR OG1 : rot 147:sc= 0.894 USER MOD Single : A 924 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 927 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 929 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.4) USER MOD Single : A 933 SER OG : rot 180:sc= 0 USER MOD Single : A 935 SER OG : rot 96:sc= 0.178 USER MOD Single : A 942 LYS NZ :NH3+ 143:sc= 1.14 (180deg=0.336) USER MOD Single : A 944 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 ASN : amide:sc= -0.163 K(o=-0.16,f=-2!) USER MOD Single : A 954 THR OG1 : rot 5:sc= 0.945 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -6.309 -0.109 -11.942 1.00 0.00 N ATOM 213 CA ARG A 896 -5.817 0.536 -10.731 1.00 0.00 C ATOM 214 C ARG A 896 -5.658 -0.477 -9.601 1.00 0.00 C ATOM 215 O ARG A 896 -4.687 -0.431 -8.846 1.00 0.00 O ATOM 216 CB ARG A 896 -6.769 1.653 -10.299 1.00 0.00 C ATOM 217 CG ARG A 896 -6.113 2.708 -9.424 1.00 0.00 C ATOM 218 CD ARG A 896 -7.061 3.863 -9.140 1.00 0.00 C ATOM 219 NE ARG A 896 -6.463 4.855 -8.250 1.00 0.00 N ATOM 220 CZ ARG A 896 -6.946 6.082 -8.087 1.00 0.00 C ATOM 221 NH1 ARG A 896 -8.029 6.465 -8.749 1.00 0.00 N ATOM 222 NH2 ARG A 896 -6.346 6.928 -7.259 1.00 0.00 N ATOM 0 HA ARG A 896 -4.840 0.966 -10.950 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -7.179 2.134 -11.187 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -7.608 1.215 -9.758 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -5.795 2.257 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -5.216 3.084 -9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -7.342 4.341 -10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -7.977 3.478 -8.691 1.00 0.00 H new ATOM 0 HE ARG A 896 -5.629 4.591 -7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -8.494 5.817 -9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -8.398 7.408 -8.622 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -5.513 6.636 -6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -6.718 7.870 -7.135 1.00 0.00 H new ATOM 236 N GLU A 897 -6.618 -1.390 -9.492 1.00 0.00 N ATOM 237 CA GLU A 897 -6.584 -2.413 -8.454 1.00 0.00 C ATOM 238 C GLU A 897 -5.161 -2.918 -8.234 1.00 0.00 C ATOM 239 O GLU A 897 -4.655 -2.909 -7.113 1.00 0.00 O ATOM 240 CB GLU A 897 -7.500 -3.580 -8.826 1.00 0.00 C ATOM 241 CG GLU A 897 -8.953 -3.361 -8.441 1.00 0.00 C ATOM 242 CD GLU A 897 -9.241 -3.750 -7.004 1.00 0.00 C ATOM 243 OE1 GLU A 897 -8.357 -3.545 -6.146 1.00 0.00 O ATOM 244 OE2 GLU A 897 -10.349 -4.260 -6.738 1.00 0.00 O ATOM 0 H GLU A 897 -7.428 -1.442 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 897 -6.939 -1.964 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -7.440 -3.750 -9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -7.137 -4.485 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -9.210 -2.312 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -9.593 -3.942 -9.106 1.00 0.00 H new ATOM 251 N GLU A 898 -4.523 -3.360 -9.314 1.00 0.00 N ATOM 252 CA GLU A 898 -3.159 -3.871 -9.239 1.00 0.00 C ATOM 253 C GLU A 898 -2.268 -2.927 -8.436 1.00 0.00 C ATOM 254 O GLU A 898 -1.470 -3.364 -7.608 1.00 0.00 O ATOM 255 CB GLU A 898 -2.584 -4.061 -10.644 1.00 0.00 C ATOM 256 CG GLU A 898 -2.997 -5.369 -11.298 1.00 0.00 C ATOM 257 CD GLU A 898 -2.323 -6.573 -10.669 1.00 0.00 C ATOM 258 OE1 GLU A 898 -1.858 -6.459 -9.516 1.00 0.00 O ATOM 259 OE2 GLU A 898 -2.261 -7.631 -11.331 1.00 0.00 O ATOM 0 H GLU A 898 -4.928 -3.374 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 898 -3.187 -4.836 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -2.905 -3.232 -11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -1.496 -4.018 -10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -4.079 -5.483 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -2.752 -5.333 -12.360 1.00 0.00 H new ATOM 266 N ALA A 899 -2.410 -1.630 -8.689 1.00 0.00 N ATOM 267 CA ALA A 899 -1.620 -0.624 -7.990 1.00 0.00 C ATOM 268 C ALA A 899 -1.908 -0.643 -6.493 1.00 0.00 C ATOM 269 O ALA A 899 -0.987 -0.623 -5.675 1.00 0.00 O ATOM 270 CB ALA A 899 -1.897 0.757 -8.565 1.00 0.00 C ATOM 0 H ALA A 899 -3.065 -1.251 -9.373 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.566 -0.861 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.300 1.499 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.634 0.770 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.955 0.993 -8.451 1.00 0.00 H new ATOM 276 N ILE A 900 -3.188 -0.682 -6.141 1.00 0.00 N ATOM 277 CA ILE A 900 -3.596 -0.704 -4.742 1.00 0.00 C ATOM 278 C ILE A 900 -2.974 -1.886 -4.007 1.00 0.00 C ATOM 279 O ILE A 900 -2.189 -1.707 -3.076 1.00 0.00 O ATOM 280 CB ILE A 900 -5.128 -0.776 -4.603 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.781 0.423 -5.294 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.524 -0.828 -3.135 1.00 0.00 C ATOM 283 CD1 ILE A 900 -7.268 0.255 -5.518 1.00 0.00 C ATOM 0 H ILE A 900 -3.961 -0.699 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.243 0.225 -4.296 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.480 -1.687 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.611 1.316 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -5.293 0.588 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.610 -0.879 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -5.083 -1.710 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -5.163 0.067 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.664 1.142 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.445 -0.619 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.768 0.120 -4.559 1.00 0.00 H new ATOM 295 N GLN A 901 -3.329 -3.094 -4.434 1.00 0.00 N ATOM 296 CA GLN A 901 -2.804 -4.307 -3.816 1.00 0.00 C ATOM 297 C GLN A 901 -1.279 -4.294 -3.801 1.00 0.00 C ATOM 298 O GLN A 901 -0.656 -4.562 -2.775 1.00 0.00 O ATOM 299 CB GLN A 901 -3.308 -5.543 -4.562 1.00 0.00 C ATOM 300 CG GLN A 901 -4.822 -5.680 -4.559 1.00 0.00 C ATOM 301 CD GLN A 901 -5.369 -6.086 -3.205 1.00 0.00 C ATOM 302 OE1 GLN A 901 -5.954 -5.273 -2.489 1.00 0.00 O ATOM 303 NE2 GLN A 901 -5.180 -7.351 -2.845 1.00 0.00 N ATOM 0 H GLN A 901 -3.977 -3.259 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 901 -3.159 -4.343 -2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -2.957 -5.503 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -2.870 -6.433 -4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -5.269 -4.732 -4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -5.117 -6.420 -5.303 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -4.690 -7.991 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -5.525 -7.682 -1.944 1.00 0.00 H new ATOM 312 N ASN A 902 -0.684 -3.980 -4.948 1.00 0.00 N ATOM 313 CA ASN A 902 0.769 -3.933 -5.066 1.00 0.00 C ATOM 314 C ASN A 902 1.370 -2.994 -4.025 1.00 0.00 C ATOM 315 O ASN A 902 2.287 -3.367 -3.293 1.00 0.00 O ATOM 316 CB ASN A 902 1.173 -3.480 -6.471 1.00 0.00 C ATOM 317 CG ASN A 902 1.032 -4.586 -7.498 1.00 0.00 C ATOM 318 OD1 ASN A 902 1.148 -5.768 -7.174 1.00 0.00 O ATOM 319 ND2 ASN A 902 0.781 -4.207 -8.746 1.00 0.00 N ATOM 0 H ASN A 902 -1.185 -3.755 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 902 1.155 -4.937 -4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.556 -2.632 -6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.206 -3.133 -6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 902 0.677 -4.907 -9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.693 -3.216 -8.970 1.00 0.00 H new ATOM 326 N PHE A 903 0.847 -1.775 -3.963 1.00 0.00 N ATOM 327 CA PHE A 903 1.331 -0.782 -3.012 1.00 0.00 C ATOM 328 C PHE A 903 1.386 -1.361 -1.601 1.00 0.00 C ATOM 329 O PHE A 903 2.452 -1.440 -0.991 1.00 0.00 O ATOM 330 CB PHE A 903 0.432 0.456 -3.032 1.00 0.00 C ATOM 331 CG PHE A 903 1.083 1.679 -2.452 1.00 0.00 C ATOM 332 CD1 PHE A 903 2.238 2.198 -3.013 1.00 0.00 C ATOM 333 CD2 PHE A 903 0.539 2.310 -1.344 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.839 3.324 -2.482 1.00 0.00 C ATOM 335 CE2 PHE A 903 1.136 3.436 -0.808 1.00 0.00 C ATOM 336 CZ PHE A 903 2.288 3.943 -1.377 1.00 0.00 C ATOM 0 H PHE A 903 0.087 -1.450 -4.561 1.00 0.00 H new ATOM 0 HA PHE A 903 2.340 -0.495 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 903 0.137 0.664 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.481 0.242 -2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 903 2.675 1.717 -3.876 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.361 1.918 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 903 3.738 3.719 -2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 903 0.702 3.919 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 903 2.757 4.821 -0.959 1.00 0.00 H new ATOM 346 N LYS A 904 0.229 -1.766 -1.089 1.00 0.00 N ATOM 347 CA LYS A 904 0.142 -2.339 0.249 1.00 0.00 C ATOM 348 C LYS A 904 1.258 -3.353 0.479 1.00 0.00 C ATOM 349 O LYS A 904 2.073 -3.198 1.389 1.00 0.00 O ATOM 350 CB LYS A 904 -1.219 -3.008 0.452 1.00 0.00 C ATOM 351 CG LYS A 904 -2.396 -2.089 0.175 1.00 0.00 C ATOM 352 CD LYS A 904 -3.705 -2.702 0.644 1.00 0.00 C ATOM 353 CE LYS A 904 -4.355 -3.534 -0.450 1.00 0.00 C ATOM 354 NZ LYS A 904 -3.908 -4.954 -0.407 1.00 0.00 N ATOM 0 H LYS A 904 -0.663 -1.708 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 904 0.254 -1.531 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.287 -3.879 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.286 -3.372 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -2.240 -1.135 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -2.453 -1.881 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -3.522 -3.327 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -4.387 -1.911 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -5.439 -3.491 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -4.113 -3.107 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -4.648 -5.563 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -3.033 -5.060 -0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -3.730 -5.232 0.579 1.00 0.00 H new ATOM 368 N ALA A 905 1.290 -4.390 -0.352 1.00 0.00 N ATOM 369 CA ALA A 905 2.308 -5.427 -0.240 1.00 0.00 C ATOM 370 C ALA A 905 3.703 -4.819 -0.142 1.00 0.00 C ATOM 371 O ALA A 905 4.542 -5.284 0.630 1.00 0.00 O ATOM 372 CB ALA A 905 2.227 -6.377 -1.426 1.00 0.00 C ATOM 0 H ALA A 905 0.623 -4.534 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 905 2.120 -5.988 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 905 2.993 -7.146 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.243 -6.846 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.387 -5.820 -2.350 1.00 0.00 H new ATOM 378 N LEU A 906 3.946 -3.777 -0.930 1.00 0.00 N ATOM 379 CA LEU A 906 5.240 -3.105 -0.933 1.00 0.00 C ATOM 380 C LEU A 906 5.498 -2.414 0.402 1.00 0.00 C ATOM 381 O LEU A 906 6.595 -2.498 0.956 1.00 0.00 O ATOM 382 CB LEU A 906 5.304 -2.083 -2.070 1.00 0.00 C ATOM 383 CG LEU A 906 6.510 -1.143 -2.061 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.765 -1.881 -2.501 1.00 0.00 C ATOM 385 CD2 LEU A 906 6.255 0.060 -2.956 1.00 0.00 C ATOM 0 H LEU A 906 3.263 -3.379 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 906 6.012 -3.859 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.296 -2.622 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 906 4.397 -1.479 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 906 6.661 -0.787 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.613 -1.196 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.958 -2.710 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.625 -2.267 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 906 7.124 0.718 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 906 6.077 -0.277 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 906 5.381 0.603 -2.596 1.00 0.00 H new ATOM 397 N LEU A 907 4.480 -1.731 0.915 1.00 0.00 N ATOM 398 CA LEU A 907 4.595 -1.027 2.187 1.00 0.00 C ATOM 399 C LEU A 907 5.037 -1.975 3.297 1.00 0.00 C ATOM 400 O LEU A 907 5.810 -1.597 4.178 1.00 0.00 O ATOM 401 CB LEU A 907 3.259 -0.380 2.556 1.00 0.00 C ATOM 402 CG LEU A 907 2.743 0.692 1.595 1.00 0.00 C ATOM 403 CD1 LEU A 907 1.288 1.021 1.892 1.00 0.00 C ATOM 404 CD2 LEU A 907 3.603 1.945 1.682 1.00 0.00 C ATOM 0 H LEU A 907 3.566 -1.650 0.469 1.00 0.00 H new ATOM 0 HA LEU A 907 5.351 -0.250 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 907 2.506 -1.165 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 907 3.355 0.065 3.547 1.00 0.00 H new ATOM 0 HG LEU A 907 2.806 0.302 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.939 1.786 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.681 0.123 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 907 1.200 1.391 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 907 3.221 2.697 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 907 3.573 2.337 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 907 4.632 1.699 1.418 1.00 0.00 H new ATOM 416 N SER A 908 4.545 -3.208 3.246 1.00 0.00 N ATOM 417 CA SER A 908 4.888 -4.211 4.247 1.00 0.00 C ATOM 418 C SER A 908 6.297 -4.749 4.017 1.00 0.00 C ATOM 419 O SER A 908 7.045 -4.989 4.965 1.00 0.00 O ATOM 420 CB SER A 908 3.880 -5.361 4.216 1.00 0.00 C ATOM 421 OG SER A 908 2.664 -4.990 4.844 1.00 0.00 O ATOM 0 H SER A 908 3.907 -3.537 2.521 1.00 0.00 H new ATOM 0 HA SER A 908 4.855 -3.735 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 908 3.686 -5.651 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 908 4.301 -6.232 4.718 1.00 0.00 H new ATOM 0 HG SER A 908 2.857 -4.447 5.636 1.00 0.00 H new ATOM 427 N ASP A 909 6.652 -4.935 2.750 1.00 0.00 N ATOM 428 CA ASP A 909 7.971 -5.444 2.393 1.00 0.00 C ATOM 429 C ASP A 909 9.060 -4.442 2.768 1.00 0.00 C ATOM 430 O ASP A 909 10.129 -4.822 3.242 1.00 0.00 O ATOM 431 CB ASP A 909 8.035 -5.749 0.896 1.00 0.00 C ATOM 432 CG ASP A 909 9.001 -6.873 0.575 1.00 0.00 C ATOM 433 OD1 ASP A 909 10.183 -6.768 0.964 1.00 0.00 O ATOM 434 OD2 ASP A 909 8.576 -7.856 -0.067 1.00 0.00 O ATOM 0 H ASP A 909 6.045 -4.741 1.954 1.00 0.00 H new ATOM 0 HA ASP A 909 8.142 -6.365 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 909 7.040 -6.016 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 909 8.336 -4.850 0.358 1.00 0.00 H new ATOM 439 N MET A 910 8.778 -3.162 2.550 1.00 0.00 N ATOM 440 CA MET A 910 9.734 -2.106 2.865 1.00 0.00 C ATOM 441 C MET A 910 9.452 -1.511 4.242 1.00 0.00 C ATOM 442 O MET A 910 10.342 -1.435 5.089 1.00 0.00 O ATOM 443 CB MET A 910 9.681 -1.007 1.802 1.00 0.00 C ATOM 444 CG MET A 910 9.733 -1.537 0.378 1.00 0.00 C ATOM 445 SD MET A 910 11.406 -1.959 -0.146 1.00 0.00 S ATOM 446 CE MET A 910 12.139 -0.331 -0.282 1.00 0.00 C ATOM 0 H MET A 910 7.897 -2.831 2.157 1.00 0.00 H new ATOM 0 HA MET A 910 10.732 -2.544 2.875 1.00 0.00 H new ATOM 0 HB2 MET A 910 8.766 -0.430 1.933 1.00 0.00 H new ATOM 0 HB3 MET A 910 10.515 -0.322 1.957 1.00 0.00 H new ATOM 0 HG2 MET A 910 9.098 -2.420 0.300 1.00 0.00 H new ATOM 0 HG3 MET A 910 9.322 -0.788 -0.299 1.00 0.00 H new ATOM 0 HE1 MET A 910 13.013 -0.379 -0.932 1.00 0.00 H new ATOM 0 HE2 MET A 910 11.411 0.362 -0.703 1.00 0.00 H new ATOM 0 HE3 MET A 910 12.440 0.016 0.706 1.00 0.00 H new ATOM 456 N VAL A 911 8.210 -1.091 4.457 1.00 0.00 N ATOM 457 CA VAL A 911 7.811 -0.504 5.731 1.00 0.00 C ATOM 458 C VAL A 911 7.061 -1.515 6.591 1.00 0.00 C ATOM 459 O VAL A 911 5.902 -1.303 6.947 1.00 0.00 O ATOM 460 CB VAL A 911 6.923 0.737 5.524 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.637 1.417 6.854 1.00 0.00 C ATOM 462 CG2 VAL A 911 7.580 1.705 4.551 1.00 0.00 C ATOM 0 H VAL A 911 7.462 -1.146 3.766 1.00 0.00 H new ATOM 0 HA VAL A 911 8.726 -0.205 6.242 1.00 0.00 H new ATOM 0 HB VAL A 911 5.973 0.416 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 911 6.008 2.292 6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 911 6.122 0.720 7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.576 1.727 7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 911 6.939 2.576 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 911 8.544 2.022 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 911 7.728 1.211 3.591 1.00 0.00 H new ATOM 472 N ARG A 912 7.730 -2.615 6.922 1.00 0.00 N ATOM 473 CA ARG A 912 7.126 -3.659 7.740 1.00 0.00 C ATOM 474 C ARG A 912 6.818 -3.142 9.142 1.00 0.00 C ATOM 475 O ARG A 912 5.899 -3.623 9.804 1.00 0.00 O ATOM 476 CB ARG A 912 8.055 -4.872 7.824 1.00 0.00 C ATOM 477 CG ARG A 912 7.406 -6.094 8.454 1.00 0.00 C ATOM 478 CD ARG A 912 8.272 -7.333 8.286 1.00 0.00 C ATOM 479 NE ARG A 912 7.692 -8.499 8.947 1.00 0.00 N ATOM 480 CZ ARG A 912 6.646 -9.167 8.473 1.00 0.00 C ATOM 481 NH1 ARG A 912 6.068 -8.786 7.342 1.00 0.00 N ATOM 482 NH2 ARG A 912 6.175 -10.219 9.131 1.00 0.00 N ATOM 0 H ARG A 912 8.690 -2.806 6.636 1.00 0.00 H new ATOM 0 HA ARG A 912 6.190 -3.959 7.269 1.00 0.00 H new ATOM 0 HB2 ARG A 912 8.395 -5.128 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 912 8.939 -4.602 8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 912 7.234 -5.910 9.514 1.00 0.00 H new ATOM 0 HG3 ARG A 912 6.431 -6.266 7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 912 8.400 -7.544 7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 912 9.264 -7.140 8.695 1.00 0.00 H new ATOM 0 HE ARG A 912 8.113 -8.818 9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 912 6.426 -7.978 6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 912 5.265 -9.301 6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 912 6.616 -10.515 10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 912 5.372 -10.731 8.766 1.00 0.00 H new ATOM 496 N SER A 913 7.594 -2.160 9.588 1.00 0.00 N ATOM 497 CA SER A 913 7.408 -1.580 10.913 1.00 0.00 C ATOM 498 C SER A 913 6.111 -0.779 10.978 1.00 0.00 C ATOM 499 O SER A 913 5.415 -0.621 9.975 1.00 0.00 O ATOM 500 CB SER A 913 8.594 -0.682 11.272 1.00 0.00 C ATOM 501 OG SER A 913 9.761 -1.450 11.509 1.00 0.00 O ATOM 0 H SER A 913 8.358 -1.749 9.051 1.00 0.00 H new ATOM 0 HA SER A 913 7.348 -2.395 11.634 1.00 0.00 H new ATOM 0 HB2 SER A 913 8.778 0.024 10.462 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.355 -0.095 12.159 1.00 0.00 H new ATOM 0 HG SER A 913 10.505 -0.853 11.735 1.00 0.00 H new ATOM 507 N SER A 914 5.794 -0.274 12.166 1.00 0.00 N ATOM 508 CA SER A 914 4.579 0.508 12.365 1.00 0.00 C ATOM 509 C SER A 914 4.905 1.877 12.953 1.00 0.00 C ATOM 510 O SER A 914 4.217 2.862 12.680 1.00 0.00 O ATOM 511 CB SER A 914 3.612 -0.238 13.285 1.00 0.00 C ATOM 512 OG SER A 914 4.133 -0.340 14.599 1.00 0.00 O ATOM 0 H SER A 914 6.362 -0.392 13.005 1.00 0.00 H new ATOM 0 HA SER A 914 4.106 0.652 11.394 1.00 0.00 H new ATOM 0 HB2 SER A 914 2.654 0.282 13.310 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.423 -1.235 12.887 1.00 0.00 H new ATOM 0 HG SER A 914 3.495 -0.820 15.168 1.00 0.00 H new ATOM 518 N ASP A 915 5.957 1.932 13.761 1.00 0.00 N ATOM 519 CA ASP A 915 6.376 3.180 14.388 1.00 0.00 C ATOM 520 C ASP A 915 7.182 4.034 13.414 1.00 0.00 C ATOM 521 O ASP A 915 8.221 4.589 13.771 1.00 0.00 O ATOM 522 CB ASP A 915 7.206 2.893 15.641 1.00 0.00 C ATOM 523 CG ASP A 915 6.568 1.845 16.531 1.00 0.00 C ATOM 524 OD1 ASP A 915 6.776 0.641 16.274 1.00 0.00 O ATOM 525 OD2 ASP A 915 5.858 2.229 17.485 1.00 0.00 O ATOM 0 H ASP A 915 6.536 1.126 13.998 1.00 0.00 H new ATOM 0 HA ASP A 915 5.481 3.733 14.673 1.00 0.00 H new ATOM 0 HB2 ASP A 915 8.200 2.558 15.346 1.00 0.00 H new ATOM 0 HB3 ASP A 915 7.335 3.816 16.207 1.00 0.00 H new ATOM 530 N VAL A 916 6.695 4.134 12.181 1.00 0.00 N ATOM 531 CA VAL A 916 7.369 4.921 11.155 1.00 0.00 C ATOM 532 C VAL A 916 6.599 6.201 10.850 1.00 0.00 C ATOM 533 O VAL A 916 5.458 6.369 11.280 1.00 0.00 O ATOM 534 CB VAL A 916 7.540 4.116 9.853 1.00 0.00 C ATOM 535 CG1 VAL A 916 8.386 2.875 10.100 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.184 3.740 9.277 1.00 0.00 C ATOM 0 H VAL A 916 5.837 3.680 11.869 1.00 0.00 H new ATOM 0 HA VAL A 916 8.353 5.177 11.548 1.00 0.00 H new ATOM 0 HB VAL A 916 8.057 4.741 9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 916 8.496 2.319 9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 916 9.370 3.172 10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 916 7.899 2.245 10.844 1.00 0.00 H new ATOM 0 HG21 VAL A 916 6.324 3.172 8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 916 5.638 3.133 9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 916 5.617 4.645 9.061 1.00 0.00 H new ATOM 546 N SER A 917 7.232 7.102 10.105 1.00 0.00 N ATOM 547 CA SER A 917 6.608 8.370 9.744 1.00 0.00 C ATOM 548 C SER A 917 6.101 8.336 8.306 1.00 0.00 C ATOM 549 O SER A 917 6.645 7.624 7.461 1.00 0.00 O ATOM 550 CB SER A 917 7.602 9.519 9.920 1.00 0.00 C ATOM 551 OG SER A 917 6.949 10.774 9.842 1.00 0.00 O ATOM 0 H SER A 917 8.176 6.977 9.740 1.00 0.00 H new ATOM 0 HA SER A 917 5.757 8.530 10.406 1.00 0.00 H new ATOM 0 HB2 SER A 917 8.104 9.426 10.883 1.00 0.00 H new ATOM 0 HB3 SER A 917 8.373 9.458 9.152 1.00 0.00 H new ATOM 0 HG SER A 917 7.605 11.492 9.959 1.00 0.00 H new ATOM 557 N TRP A 918 5.057 9.111 8.035 1.00 0.00 N ATOM 558 CA TRP A 918 4.476 9.170 6.698 1.00 0.00 C ATOM 559 C TRP A 918 5.537 9.514 5.658 1.00 0.00 C ATOM 560 O TRP A 918 5.690 8.811 4.659 1.00 0.00 O ATOM 561 CB TRP A 918 3.349 10.203 6.656 1.00 0.00 C ATOM 562 CG TRP A 918 3.008 10.654 5.268 1.00 0.00 C ATOM 563 CD1 TRP A 918 2.729 11.928 4.865 1.00 0.00 C ATOM 564 CD2 TRP A 918 2.908 9.831 4.100 1.00 0.00 C ATOM 565 NE1 TRP A 918 2.462 11.948 3.517 1.00 0.00 N ATOM 566 CE2 TRP A 918 2.566 10.674 3.025 1.00 0.00 C ATOM 567 CE3 TRP A 918 3.076 8.465 3.858 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.389 10.193 1.730 1.00 0.00 C ATOM 569 CZ3 TRP A 918 2.900 7.990 2.573 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.560 8.852 1.522 1.00 0.00 C ATOM 0 H TRP A 918 4.596 9.707 8.722 1.00 0.00 H new ATOM 0 HA TRP A 918 4.068 8.187 6.462 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.459 9.779 7.121 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.638 11.069 7.251 1.00 0.00 H new ATOM 0 HD1 TRP A 918 2.719 12.794 5.511 1.00 0.00 H new ATOM 0 HE1 TRP A 918 2.225 12.777 2.972 1.00 0.00 H new ATOM 0 HE3 TRP A 918 3.339 7.793 4.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.126 10.856 0.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 3.027 6.936 2.375 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.430 8.450 0.528 1.00 0.00 H new ATOM 581 N SER A 919 6.266 10.598 5.900 1.00 0.00 N ATOM 582 CA SER A 919 7.311 11.037 4.981 1.00 0.00 C ATOM 583 C SER A 919 8.314 9.916 4.724 1.00 0.00 C ATOM 584 O SER A 919 8.528 9.510 3.582 1.00 0.00 O ATOM 585 CB SER A 919 8.032 12.263 5.543 1.00 0.00 C ATOM 586 OG SER A 919 8.855 12.866 4.560 1.00 0.00 O ATOM 0 H SER A 919 6.153 11.189 6.724 1.00 0.00 H new ATOM 0 HA SER A 919 6.840 11.304 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 919 7.300 12.986 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 919 8.639 11.971 6.400 1.00 0.00 H new ATOM 0 HG SER A 919 9.303 13.648 4.944 1.00 0.00 H new ATOM 592 N ASP A 920 8.925 9.421 5.795 1.00 0.00 N ATOM 593 CA ASP A 920 9.905 8.346 5.687 1.00 0.00 C ATOM 594 C ASP A 920 9.420 7.263 4.729 1.00 0.00 C ATOM 595 O ASP A 920 10.145 6.847 3.825 1.00 0.00 O ATOM 596 CB ASP A 920 10.182 7.741 7.064 1.00 0.00 C ATOM 597 CG ASP A 920 11.354 6.779 7.047 1.00 0.00 C ATOM 598 OD1 ASP A 920 12.442 7.177 6.582 1.00 0.00 O ATOM 599 OD2 ASP A 920 11.183 5.628 7.501 1.00 0.00 O ATOM 0 H ASP A 920 8.759 9.747 6.747 1.00 0.00 H new ATOM 0 HA ASP A 920 10.829 8.767 5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 920 10.383 8.542 7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 920 9.292 7.219 7.414 1.00 0.00 H new ATOM 604 N THR A 921 8.188 6.807 4.934 1.00 0.00 N ATOM 605 CA THR A 921 7.606 5.770 4.090 1.00 0.00 C ATOM 606 C THR A 921 7.586 6.199 2.628 1.00 0.00 C ATOM 607 O THR A 921 8.071 5.480 1.754 1.00 0.00 O ATOM 608 CB THR A 921 6.172 5.425 4.533 1.00 0.00 C ATOM 609 OG1 THR A 921 6.170 4.995 5.899 1.00 0.00 O ATOM 610 CG2 THR A 921 5.582 4.334 3.652 1.00 0.00 C ATOM 0 H THR A 921 7.574 7.140 5.677 1.00 0.00 H new ATOM 0 HA THR A 921 8.234 4.885 4.197 1.00 0.00 H new ATOM 0 HB THR A 921 5.560 6.321 4.435 1.00 0.00 H new ATOM 0 HG1 THR A 921 5.338 5.280 6.331 1.00 0.00 H new ATOM 0 HG21 THR A 921 4.569 4.107 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 921 5.557 4.676 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 921 6.197 3.437 3.723 1.00 0.00 H new ATOM 618 N ARG A 922 7.022 7.374 2.368 1.00 0.00 N ATOM 619 CA ARG A 922 6.938 7.897 1.010 1.00 0.00 C ATOM 620 C ARG A 922 8.260 7.707 0.271 1.00 0.00 C ATOM 621 O ARG A 922 8.323 7.003 -0.737 1.00 0.00 O ATOM 622 CB ARG A 922 6.564 9.381 1.035 1.00 0.00 C ATOM 623 CG ARG A 922 6.111 9.917 -0.313 1.00 0.00 C ATOM 624 CD ARG A 922 5.131 11.069 -0.154 1.00 0.00 C ATOM 625 NE ARG A 922 4.691 11.595 -1.443 1.00 0.00 N ATOM 626 CZ ARG A 922 5.391 12.468 -2.158 1.00 0.00 C ATOM 627 NH1 ARG A 922 6.559 12.910 -1.712 1.00 0.00 N ATOM 628 NH2 ARG A 922 4.924 12.901 -3.322 1.00 0.00 N ATOM 0 H ARG A 922 6.617 7.982 3.080 1.00 0.00 H new ATOM 0 HA ARG A 922 6.163 7.342 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 922 5.768 9.534 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 922 7.424 9.958 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 922 6.978 10.251 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 922 5.643 9.116 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 922 4.264 10.732 0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 922 5.600 11.867 0.422 1.00 0.00 H new ATOM 0 HE ARG A 922 3.797 11.274 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 922 6.922 12.579 -0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 922 7.095 13.581 -2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 922 4.026 12.563 -3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 922 5.463 13.572 -3.870 1.00 0.00 H new ATOM 642 N ARG A 923 9.312 8.340 0.780 1.00 0.00 N ATOM 643 CA ARG A 923 10.632 8.242 0.168 1.00 0.00 C ATOM 644 C ARG A 923 11.053 6.783 0.015 1.00 0.00 C ATOM 645 O ARG A 923 11.445 6.348 -1.068 1.00 0.00 O ATOM 646 CB ARG A 923 11.664 8.997 1.007 1.00 0.00 C ATOM 647 CG ARG A 923 13.085 8.872 0.481 1.00 0.00 C ATOM 648 CD ARG A 923 14.074 9.611 1.369 1.00 0.00 C ATOM 649 NE ARG A 923 15.307 9.939 0.659 1.00 0.00 N ATOM 650 CZ ARG A 923 16.404 10.389 1.260 1.00 0.00 C ATOM 651 NH1 ARG A 923 16.419 10.562 2.574 1.00 0.00 N ATOM 652 NH2 ARG A 923 17.487 10.665 0.546 1.00 0.00 N ATOM 0 H ARG A 923 9.276 8.926 1.614 1.00 0.00 H new ATOM 0 HA ARG A 923 10.580 8.693 -0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 923 11.390 10.051 1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 923 11.630 8.624 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 923 13.362 7.819 0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 923 13.136 9.271 -0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 923 13.614 10.527 1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 923 14.309 8.998 2.239 1.00 0.00 H new ATOM 0 HE ARG A 923 15.328 9.816 -0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 923 15.588 10.350 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 923 17.262 10.907 3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 923 17.479 10.532 -0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 923 18.328 11.010 1.008 1.00 0.00 H new ATOM 666 N THR A 924 10.970 6.031 1.108 1.00 0.00 N ATOM 667 CA THR A 924 11.344 4.622 1.097 1.00 0.00 C ATOM 668 C THR A 924 10.815 3.923 -0.150 1.00 0.00 C ATOM 669 O THR A 924 11.482 3.058 -0.720 1.00 0.00 O ATOM 670 CB THR A 924 10.815 3.891 2.345 1.00 0.00 C ATOM 671 OG1 THR A 924 11.272 4.552 3.530 1.00 0.00 O ATOM 672 CG2 THR A 924 11.276 2.441 2.358 1.00 0.00 C ATOM 0 H THR A 924 10.647 6.374 2.013 1.00 0.00 H new ATOM 0 HA THR A 924 12.433 4.584 1.097 1.00 0.00 H new ATOM 0 HB THR A 924 9.726 3.910 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 924 10.604 5.210 3.816 1.00 0.00 H new ATOM 0 HG21 THR A 924 10.890 1.945 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 924 10.903 1.933 1.469 1.00 0.00 H new ATOM 0 HG23 THR A 924 12.365 2.406 2.366 1.00 0.00 H new ATOM 680 N LEU A 925 9.614 4.303 -0.571 1.00 0.00 N ATOM 681 CA LEU A 925 8.995 3.712 -1.753 1.00 0.00 C ATOM 682 C LEU A 925 9.418 4.453 -3.017 1.00 0.00 C ATOM 683 O LEU A 925 9.694 3.837 -4.046 1.00 0.00 O ATOM 684 CB LEU A 925 7.471 3.735 -1.620 1.00 0.00 C ATOM 685 CG LEU A 925 6.904 3.221 -0.296 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.405 3.468 -0.225 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.212 1.741 -0.123 1.00 0.00 C ATOM 0 H LEU A 925 9.049 5.018 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 925 9.331 2.678 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.129 4.760 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.047 3.140 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 925 7.380 3.768 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 925 5.019 3.096 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.208 4.537 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 925 4.911 2.948 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 925 6.801 1.392 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 925 6.764 1.178 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.292 1.591 -0.127 1.00 0.00 H new ATOM 699 N ARG A 926 9.469 5.778 -2.931 1.00 0.00 N ATOM 700 CA ARG A 926 9.860 6.603 -4.068 1.00 0.00 C ATOM 701 C ARG A 926 11.118 6.052 -4.732 1.00 0.00 C ATOM 702 O ARG A 926 11.145 5.823 -5.942 1.00 0.00 O ATOM 703 CB ARG A 926 10.097 8.047 -3.620 1.00 0.00 C ATOM 704 CG ARG A 926 8.816 8.825 -3.370 1.00 0.00 C ATOM 705 CD ARG A 926 9.106 10.272 -3.003 1.00 0.00 C ATOM 706 NE ARG A 926 9.260 10.451 -1.562 1.00 0.00 N ATOM 707 CZ ARG A 926 9.780 11.541 -1.008 1.00 0.00 C ATOM 708 NH1 ARG A 926 10.193 12.544 -1.771 1.00 0.00 N ATOM 709 NH2 ARG A 926 9.887 11.630 0.311 1.00 0.00 N ATOM 0 H ARG A 926 9.245 6.303 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 926 9.048 6.584 -4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 926 10.693 8.042 -2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 926 10.683 8.563 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 926 8.190 8.793 -4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 926 8.252 8.351 -2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 926 10.015 10.599 -3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 926 8.296 10.906 -3.363 1.00 0.00 H new ATOM 0 HE ARG A 926 8.951 9.698 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 926 10.112 12.480 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 926 10.592 13.380 -1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 926 9.570 10.861 0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 926 10.286 12.467 0.735 1.00 0.00 H new ATOM 723 N LYS A 927 12.159 5.842 -3.934 1.00 0.00 N ATOM 724 CA LYS A 927 13.420 5.318 -4.443 1.00 0.00 C ATOM 725 C LYS A 927 13.238 3.910 -5.003 1.00 0.00 C ATOM 726 O LYS A 927 13.881 3.534 -5.983 1.00 0.00 O ATOM 727 CB LYS A 927 14.475 5.304 -3.334 1.00 0.00 C ATOM 728 CG LYS A 927 14.162 4.333 -2.209 1.00 0.00 C ATOM 729 CD LYS A 927 14.750 2.958 -2.478 1.00 0.00 C ATOM 730 CE LYS A 927 16.159 2.835 -1.918 1.00 0.00 C ATOM 731 NZ LYS A 927 16.830 1.587 -2.375 1.00 0.00 N ATOM 0 H LYS A 927 12.154 6.027 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 927 13.757 5.970 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 927 15.442 5.046 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 927 14.569 6.308 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 927 14.558 4.722 -1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 927 13.082 4.250 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 927 14.112 2.195 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 927 14.767 2.772 -3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 927 16.749 3.698 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 927 16.119 2.848 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 17.788 1.540 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 16.281 0.762 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 16.891 1.586 -3.413 1.00 0.00 H new ATOM 745 N ASP A 928 12.359 3.138 -4.375 1.00 0.00 N ATOM 746 CA ASP A 928 12.090 1.773 -4.812 1.00 0.00 C ATOM 747 C ASP A 928 11.672 1.745 -6.279 1.00 0.00 C ATOM 748 O ASP A 928 11.394 2.785 -6.876 1.00 0.00 O ATOM 749 CB ASP A 928 10.998 1.143 -3.946 1.00 0.00 C ATOM 750 CG ASP A 928 10.955 -0.367 -4.077 1.00 0.00 C ATOM 751 OD1 ASP A 928 11.721 -1.047 -3.363 1.00 0.00 O ATOM 752 OD2 ASP A 928 10.154 -0.868 -4.893 1.00 0.00 O ATOM 0 H ASP A 928 11.820 3.434 -3.561 1.00 0.00 H new ATOM 0 HA ASP A 928 13.008 1.195 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 928 11.167 1.410 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 928 10.030 1.557 -4.228 1.00 0.00 H new ATOM 757 N HIS A 929 11.632 0.547 -6.855 1.00 0.00 N ATOM 758 CA HIS A 929 11.249 0.384 -8.252 1.00 0.00 C ATOM 759 C HIS A 929 9.735 0.245 -8.388 1.00 0.00 C ATOM 760 O HIS A 929 9.093 1.019 -9.098 1.00 0.00 O ATOM 761 CB HIS A 929 11.941 -0.841 -8.853 1.00 0.00 C ATOM 762 CG HIS A 929 13.373 -0.600 -9.218 1.00 0.00 C ATOM 763 ND1 HIS A 929 13.952 0.651 -9.210 1.00 0.00 N ATOM 764 CD2 HIS A 929 14.345 -1.460 -9.601 1.00 0.00 C ATOM 765 CE1 HIS A 929 15.217 0.551 -9.575 1.00 0.00 C ATOM 766 NE2 HIS A 929 15.482 -0.720 -9.817 1.00 0.00 N ATOM 0 H HIS A 929 11.860 -0.324 -6.376 1.00 0.00 H new ATOM 0 HA HIS A 929 11.565 1.274 -8.796 1.00 0.00 H new ATOM 0 HB2 HIS A 929 11.890 -1.664 -8.140 1.00 0.00 H new ATOM 0 HB3 HIS A 929 11.396 -1.156 -9.743 1.00 0.00 H new ATOM 0 HD2 HIS A 929 14.245 -2.529 -9.716 1.00 0.00 H new ATOM 0 HE1 HIS A 929 15.916 1.370 -9.661 1.00 0.00 H new ATOM 0 HE2 HIS A 929 16.384 -1.092 -10.116 1.00 0.00 H new ATOM 774 N ARG A 930 9.173 -0.746 -7.705 1.00 0.00 N ATOM 775 CA ARG A 930 7.736 -0.987 -7.751 1.00 0.00 C ATOM 776 C ARG A 930 6.966 0.329 -7.803 1.00 0.00 C ATOM 777 O ARG A 930 5.991 0.460 -8.544 1.00 0.00 O ATOM 778 CB ARG A 930 7.294 -1.801 -6.534 1.00 0.00 C ATOM 779 CG ARG A 930 7.580 -3.289 -6.659 1.00 0.00 C ATOM 780 CD ARG A 930 9.046 -3.598 -6.399 1.00 0.00 C ATOM 781 NE ARG A 930 9.243 -4.969 -5.937 1.00 0.00 N ATOM 782 CZ ARG A 930 10.334 -5.382 -5.303 1.00 0.00 C ATOM 783 NH1 ARG A 930 11.323 -4.533 -5.057 1.00 0.00 N ATOM 784 NH2 ARG A 930 10.439 -6.646 -4.913 1.00 0.00 N ATOM 0 H ARG A 930 9.691 -1.395 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 930 7.517 -1.553 -8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 930 7.798 -1.416 -5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 930 6.225 -1.657 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 930 6.960 -3.840 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 930 7.306 -3.631 -7.657 1.00 0.00 H new ATOM 0 HD2 ARG A 930 9.618 -3.438 -7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 930 9.436 -2.905 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 930 8.501 -5.647 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 930 11.246 -3.561 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 930 12.160 -4.853 -4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 930 9.681 -7.302 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 930 11.278 -6.961 -4.426 1.00 0.00 H new ATOM 798 N TRP A 931 7.409 1.300 -7.013 1.00 0.00 N ATOM 799 CA TRP A 931 6.761 2.605 -6.969 1.00 0.00 C ATOM 800 C TRP A 931 6.223 2.993 -8.342 1.00 0.00 C ATOM 801 O TRP A 931 5.086 3.448 -8.467 1.00 0.00 O ATOM 802 CB TRP A 931 7.743 3.669 -6.474 1.00 0.00 C ATOM 803 CG TRP A 931 7.203 5.064 -6.566 1.00 0.00 C ATOM 804 CD1 TRP A 931 7.190 5.867 -7.670 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.601 5.821 -5.510 1.00 0.00 C ATOM 806 NE1 TRP A 931 6.615 7.077 -7.365 1.00 0.00 N ATOM 807 CE2 TRP A 931 6.245 7.074 -6.046 1.00 0.00 C ATOM 808 CE3 TRP A 931 6.326 5.561 -4.165 1.00 0.00 C ATOM 809 CZ2 TRP A 931 5.630 8.062 -5.282 1.00 0.00 C ATOM 810 CZ3 TRP A 931 5.716 6.543 -3.408 1.00 0.00 C ATOM 811 CH2 TRP A 931 5.372 7.781 -3.968 1.00 0.00 C ATOM 0 H TRP A 931 8.215 1.208 -6.394 1.00 0.00 H new ATOM 0 HA TRP A 931 5.923 2.543 -6.275 1.00 0.00 H new ATOM 0 HB2 TRP A 931 8.006 3.456 -5.438 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.662 3.604 -7.056 1.00 0.00 H new ATOM 0 HD1 TRP A 931 7.575 5.592 -8.641 1.00 0.00 H new ATOM 0 HE1 TRP A 931 6.485 7.852 -8.015 1.00 0.00 H new ATOM 0 HE3 TRP A 931 6.586 4.610 -3.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 5.366 9.017 -5.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 5.501 6.353 -2.367 1.00 0.00 H new ATOM 0 HH2 TRP A 931 4.894 8.527 -3.351 1.00 0.00 H new ATOM 822 N GLU A 932 7.046 2.808 -9.370 1.00 0.00 N ATOM 823 CA GLU A 932 6.650 3.139 -10.734 1.00 0.00 C ATOM 824 C GLU A 932 5.166 2.858 -10.953 1.00 0.00 C ATOM 825 O GLU A 932 4.387 3.768 -11.239 1.00 0.00 O ATOM 826 CB GLU A 932 7.485 2.342 -11.738 1.00 0.00 C ATOM 827 CG GLU A 932 8.762 3.048 -12.163 1.00 0.00 C ATOM 828 CD GLU A 932 9.672 2.159 -12.990 1.00 0.00 C ATOM 829 OE1 GLU A 932 10.358 1.300 -12.398 1.00 0.00 O ATOM 830 OE2 GLU A 932 9.698 2.323 -14.227 1.00 0.00 O ATOM 0 H GLU A 932 7.990 2.431 -9.284 1.00 0.00 H new ATOM 0 HA GLU A 932 6.827 4.203 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 932 7.742 1.377 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 932 6.880 2.140 -12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 932 8.507 3.937 -12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 932 9.298 3.386 -11.276 1.00 0.00 H new ATOM 837 N SER A 933 4.783 1.593 -10.818 1.00 0.00 N ATOM 838 CA SER A 933 3.394 1.190 -11.005 1.00 0.00 C ATOM 839 C SER A 933 2.488 1.877 -9.988 1.00 0.00 C ATOM 840 O SER A 933 1.385 2.313 -10.317 1.00 0.00 O ATOM 841 CB SER A 933 3.260 -0.328 -10.882 1.00 0.00 C ATOM 842 OG SER A 933 4.208 -0.992 -11.699 1.00 0.00 O ATOM 0 H SER A 933 5.415 0.829 -10.580 1.00 0.00 H new ATOM 0 HA SER A 933 3.085 1.494 -12.005 1.00 0.00 H new ATOM 0 HB2 SER A 933 3.400 -0.625 -9.843 1.00 0.00 H new ATOM 0 HB3 SER A 933 2.253 -0.632 -11.168 1.00 0.00 H new ATOM 0 HG SER A 933 4.102 -1.961 -11.601 1.00 0.00 H new ATOM 848 N GLY A 934 2.961 1.968 -8.749 1.00 0.00 N ATOM 849 CA GLY A 934 2.182 2.602 -7.701 1.00 0.00 C ATOM 850 C GLY A 934 1.730 3.998 -8.080 1.00 0.00 C ATOM 851 O GLY A 934 0.850 4.569 -7.435 1.00 0.00 O ATOM 0 H GLY A 934 3.870 1.614 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.309 1.988 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.777 2.651 -6.789 1.00 0.00 H new ATOM 855 N SER A 935 2.334 4.551 -9.127 1.00 0.00 N ATOM 856 CA SER A 935 1.992 5.892 -9.586 1.00 0.00 C ATOM 857 C SER A 935 0.479 6.062 -9.689 1.00 0.00 C ATOM 858 O SER A 935 -0.069 7.097 -9.307 1.00 0.00 O ATOM 859 CB SER A 935 2.640 6.170 -10.944 1.00 0.00 C ATOM 860 OG SER A 935 3.965 6.648 -10.788 1.00 0.00 O ATOM 0 H SER A 935 3.062 4.091 -9.673 1.00 0.00 H new ATOM 0 HA SER A 935 2.372 6.607 -8.856 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.647 5.258 -11.541 1.00 0.00 H new ATOM 0 HB3 SER A 935 2.047 6.904 -11.490 1.00 0.00 H new ATOM 0 HG SER A 935 4.594 5.901 -10.873 1.00 0.00 H new ATOM 866 N LEU A 936 -0.191 5.039 -10.207 1.00 0.00 N ATOM 867 CA LEU A 936 -1.641 5.073 -10.360 1.00 0.00 C ATOM 868 C LEU A 936 -2.305 5.685 -9.131 1.00 0.00 C ATOM 869 O LEU A 936 -3.183 6.541 -9.247 1.00 0.00 O ATOM 870 CB LEU A 936 -2.182 3.662 -10.596 1.00 0.00 C ATOM 871 CG LEU A 936 -1.896 3.054 -11.970 1.00 0.00 C ATOM 872 CD1 LEU A 936 -2.047 1.541 -11.926 1.00 0.00 C ATOM 873 CD2 LEU A 936 -2.818 3.654 -13.021 1.00 0.00 C ATOM 0 H LEU A 936 0.247 4.175 -10.528 1.00 0.00 H new ATOM 0 HA LEU A 936 -1.875 5.695 -11.224 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.764 3.003 -9.835 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.261 3.679 -10.446 1.00 0.00 H new ATOM 0 HG LEU A 936 -0.867 3.288 -12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -1.840 1.126 -12.912 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.345 1.126 -11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -3.065 1.285 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -2.600 3.210 -13.992 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -3.855 3.451 -12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -2.660 4.731 -13.071 1.00 0.00 H new ATOM 885 N LEU A 937 -1.878 5.243 -7.953 1.00 0.00 N ATOM 886 CA LEU A 937 -2.429 5.749 -6.701 1.00 0.00 C ATOM 887 C LEU A 937 -2.077 7.221 -6.506 1.00 0.00 C ATOM 888 O LEU A 937 -0.947 7.636 -6.757 1.00 0.00 O ATOM 889 CB LEU A 937 -1.905 4.928 -5.521 1.00 0.00 C ATOM 890 CG LEU A 937 -2.224 3.433 -5.551 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.462 2.703 -4.455 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.721 3.204 -5.404 1.00 0.00 C ATOM 0 H LEU A 937 -1.152 4.536 -7.839 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.514 5.656 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -0.823 5.048 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -2.313 5.348 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.908 3.033 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.701 1.640 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.391 2.839 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -1.747 3.106 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.929 2.134 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.061 3.619 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.246 3.694 -6.224 1.00 0.00 H new ATOM 904 N GLU A 938 -3.053 8.003 -6.056 1.00 0.00 N ATOM 905 CA GLU A 938 -2.845 9.428 -5.826 1.00 0.00 C ATOM 906 C GLU A 938 -2.305 9.679 -4.422 1.00 0.00 C ATOM 907 O GLU A 938 -2.589 8.924 -3.492 1.00 0.00 O ATOM 908 CB GLU A 938 -4.153 10.195 -6.027 1.00 0.00 C ATOM 909 CG GLU A 938 -5.226 9.848 -5.008 1.00 0.00 C ATOM 910 CD GLU A 938 -6.608 10.297 -5.439 1.00 0.00 C ATOM 911 OE1 GLU A 938 -7.165 9.686 -6.375 1.00 0.00 O ATOM 912 OE2 GLU A 938 -7.133 11.260 -4.841 1.00 0.00 O ATOM 0 H GLU A 938 -3.995 7.674 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 938 -2.109 9.783 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.948 11.264 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.534 9.990 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.233 8.770 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -4.979 10.312 -4.053 1.00 0.00 H new ATOM 919 N ARG A 939 -1.525 10.746 -4.276 1.00 0.00 N ATOM 920 CA ARG A 939 -0.943 11.097 -2.986 1.00 0.00 C ATOM 921 C ARG A 939 -1.911 10.782 -1.850 1.00 0.00 C ATOM 922 O ARG A 939 -1.493 10.452 -0.740 1.00 0.00 O ATOM 923 CB ARG A 939 -0.571 12.580 -2.958 1.00 0.00 C ATOM 924 CG ARG A 939 -1.774 13.509 -2.920 1.00 0.00 C ATOM 925 CD ARG A 939 -2.282 13.819 -4.319 1.00 0.00 C ATOM 926 NE ARG A 939 -1.331 14.623 -5.082 1.00 0.00 N ATOM 927 CZ ARG A 939 -1.257 15.947 -5.002 1.00 0.00 C ATOM 928 NH1 ARG A 939 -2.075 16.612 -4.198 1.00 0.00 N ATOM 929 NH2 ARG A 939 -0.364 16.608 -5.728 1.00 0.00 N ATOM 0 H ARG A 939 -1.282 11.382 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 939 -0.041 10.501 -2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 939 0.054 12.773 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 939 0.029 12.812 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 939 -2.571 13.050 -2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 939 -1.503 14.437 -2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 939 -2.475 12.886 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 939 -3.232 14.349 -4.250 1.00 0.00 H new ATOM 0 HE ARG A 939 -0.688 14.141 -5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 939 -2.763 16.107 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 939 -2.016 17.629 -4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 939 0.266 16.099 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 939 -0.308 17.625 -5.666 1.00 0.00 H new ATOM 943 N GLU A 940 -3.205 10.887 -2.135 1.00 0.00 N ATOM 944 CA GLU A 940 -4.232 10.614 -1.136 1.00 0.00 C ATOM 945 C GLU A 940 -4.289 9.125 -0.807 1.00 0.00 C ATOM 946 O GLU A 940 -4.290 8.737 0.361 1.00 0.00 O ATOM 947 CB GLU A 940 -5.598 11.091 -1.633 1.00 0.00 C ATOM 948 CG GLU A 940 -6.621 11.269 -0.523 1.00 0.00 C ATOM 949 CD GLU A 940 -6.606 12.666 0.066 1.00 0.00 C ATOM 950 OE1 GLU A 940 -5.692 12.962 0.864 1.00 0.00 O ATOM 951 OE2 GLU A 940 -7.507 13.462 -0.270 1.00 0.00 O ATOM 0 H GLU A 940 -3.567 11.159 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 940 -3.974 11.159 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -5.474 12.039 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -5.982 10.374 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -7.616 11.054 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -6.425 10.544 0.267 1.00 0.00 H new ATOM 958 N GLU A 941 -4.338 8.297 -1.846 1.00 0.00 N ATOM 959 CA GLU A 941 -4.397 6.851 -1.667 1.00 0.00 C ATOM 960 C GLU A 941 -3.186 6.349 -0.885 1.00 0.00 C ATOM 961 O GLU A 941 -3.288 5.411 -0.095 1.00 0.00 O ATOM 962 CB GLU A 941 -4.467 6.149 -3.025 1.00 0.00 C ATOM 963 CG GLU A 941 -5.885 5.934 -3.526 1.00 0.00 C ATOM 964 CD GLU A 941 -6.490 4.636 -3.028 1.00 0.00 C ATOM 965 OE1 GLU A 941 -6.314 3.601 -3.705 1.00 0.00 O ATOM 966 OE2 GLU A 941 -7.138 4.655 -1.961 1.00 0.00 O ATOM 0 H GLU A 941 -4.338 8.602 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 941 -5.297 6.618 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -3.917 6.739 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -3.966 5.184 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -6.510 6.768 -3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -5.885 5.936 -4.616 1.00 0.00 H new ATOM 973 N LYS A 942 -2.039 6.981 -1.112 1.00 0.00 N ATOM 974 CA LYS A 942 -0.808 6.602 -0.430 1.00 0.00 C ATOM 975 C LYS A 942 -0.889 6.924 1.059 1.00 0.00 C ATOM 976 O LYS A 942 -0.602 6.075 1.902 1.00 0.00 O ATOM 977 CB LYS A 942 0.388 7.324 -1.054 1.00 0.00 C ATOM 978 CG LYS A 942 0.554 7.053 -2.540 1.00 0.00 C ATOM 979 CD LYS A 942 1.830 7.678 -3.081 1.00 0.00 C ATOM 980 CE LYS A 942 2.128 7.199 -4.493 1.00 0.00 C ATOM 981 NZ LYS A 942 1.504 8.078 -5.521 1.00 0.00 N ATOM 0 H LYS A 942 -1.937 7.759 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 942 -0.676 5.526 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 942 0.275 8.397 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 942 1.297 7.021 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 942 0.572 5.977 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -0.305 7.450 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 942 1.735 8.764 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 942 2.665 7.428 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 942 3.207 7.170 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 942 1.761 6.180 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 2.142 8.165 -6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 0.601 7.664 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 1.332 9.020 -5.114 1.00 0.00 H new ATOM 995 N GLU A 943 -1.283 8.154 1.373 1.00 0.00 N ATOM 996 CA GLU A 943 -1.403 8.586 2.761 1.00 0.00 C ATOM 997 C GLU A 943 -2.354 7.677 3.534 1.00 0.00 C ATOM 998 O GLU A 943 -2.046 7.234 4.640 1.00 0.00 O ATOM 999 CB GLU A 943 -1.895 10.033 2.827 1.00 0.00 C ATOM 1000 CG GLU A 943 -1.574 10.725 4.141 1.00 0.00 C ATOM 1001 CD GLU A 943 -2.565 11.823 4.479 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -3.758 11.506 4.667 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -2.147 12.997 4.555 1.00 0.00 O ATOM 0 H GLU A 943 -1.524 8.868 0.686 1.00 0.00 H new ATOM 0 HA GLU A 943 -0.417 8.524 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -1.447 10.598 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.974 10.049 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -1.567 9.987 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 943 -0.571 11.149 4.089 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.512 7.404 2.943 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.510 6.548 3.573 1.00 0.00 C ATOM 1012 C LYS A 944 -4.015 5.108 3.662 1.00 0.00 C ATOM 1013 O LYS A 944 -3.821 4.574 4.754 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.824 6.599 2.790 1.00 0.00 C ATOM 1015 CG LYS A 944 -6.531 7.941 2.874 1.00 0.00 C ATOM 1016 CD LYS A 944 -7.255 8.107 4.200 1.00 0.00 C ATOM 1017 CE LYS A 944 -7.346 9.570 4.606 1.00 0.00 C ATOM 1018 NZ LYS A 944 -8.361 10.307 3.803 1.00 0.00 N ATOM 0 H LYS A 944 -3.783 7.764 2.028 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.682 6.918 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -5.623 6.369 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -6.491 5.822 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -5.805 8.744 2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -7.245 8.029 2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -8.258 7.687 4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -6.732 7.545 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -7.601 9.638 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -6.372 10.043 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -8.392 11.300 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -8.105 10.264 2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -9.296 9.872 3.941 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.810 4.486 2.506 1.00 0.00 N ATOM 1033 CA LEU A 945 -3.334 3.108 2.453 1.00 0.00 C ATOM 1034 C LEU A 945 -2.229 2.873 3.478 1.00 0.00 C ATOM 1035 O LEU A 945 -2.278 1.916 4.251 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.823 2.778 1.050 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.892 2.458 0.004 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -3.334 2.632 -1.400 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.421 1.044 0.198 1.00 0.00 C ATOM 0 H LEU A 945 -3.966 4.914 1.593 1.00 0.00 H new ATOM 0 HA LEU A 945 -4.171 2.451 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -2.234 3.622 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -2.147 1.926 1.122 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.720 3.155 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -4.109 2.400 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -3.004 3.662 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -2.488 1.959 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -5.181 0.833 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.602 0.332 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -4.860 0.953 1.192 1.00 0.00 H new ATOM 1051 N PHE A 946 -1.234 3.754 3.480 1.00 0.00 N ATOM 1052 CA PHE A 946 -0.117 3.644 4.410 1.00 0.00 C ATOM 1053 C PHE A 946 -0.612 3.621 5.853 1.00 0.00 C ATOM 1054 O PHE A 946 -0.255 2.736 6.629 1.00 0.00 O ATOM 1055 CB PHE A 946 0.857 4.807 4.211 1.00 0.00 C ATOM 1056 CG PHE A 946 1.799 5.004 5.364 1.00 0.00 C ATOM 1057 CD1 PHE A 946 2.836 4.114 5.589 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.647 6.080 6.224 1.00 0.00 C ATOM 1059 CE1 PHE A 946 3.705 4.292 6.649 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.512 6.264 7.285 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.542 5.369 7.499 1.00 0.00 C ATOM 0 H PHE A 946 -1.179 4.552 2.847 1.00 0.00 H new ATOM 0 HA PHE A 946 0.402 2.707 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.437 4.634 3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.289 5.724 4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 946 2.967 3.270 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 946 0.843 6.783 6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.510 3.591 6.813 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.383 7.107 7.947 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.218 5.511 8.329 1.00 0.00 H new ATOM 1071 N ASN A 947 -1.436 4.603 6.206 1.00 0.00 N ATOM 1072 CA ASN A 947 -1.979 4.697 7.556 1.00 0.00 C ATOM 1073 C ASN A 947 -2.630 3.382 7.973 1.00 0.00 C ATOM 1074 O ASN A 947 -2.328 2.839 9.035 1.00 0.00 O ATOM 1075 CB ASN A 947 -3.000 5.834 7.639 1.00 0.00 C ATOM 1076 CG ASN A 947 -2.346 7.184 7.862 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -1.217 7.266 8.347 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -3.054 8.250 7.509 1.00 0.00 N ATOM 0 H ASN A 947 -1.742 5.344 5.576 1.00 0.00 H new ATOM 0 HA ASN A 947 -1.156 4.907 8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.583 5.863 6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -3.698 5.633 8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -2.666 9.185 7.636 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -3.986 8.134 7.111 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.524 2.877 7.129 1.00 0.00 N ATOM 1086 CA GLU A 948 -4.217 1.625 7.411 1.00 0.00 C ATOM 1087 C GLU A 948 -3.223 0.508 7.713 1.00 0.00 C ATOM 1088 O GLU A 948 -3.347 -0.195 8.716 1.00 0.00 O ATOM 1089 CB GLU A 948 -5.103 1.229 6.228 1.00 0.00 C ATOM 1090 CG GLU A 948 -6.351 2.085 6.089 1.00 0.00 C ATOM 1091 CD GLU A 948 -6.066 3.433 5.456 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -6.111 3.527 4.212 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -5.798 4.395 6.207 1.00 0.00 O ATOM 0 H GLU A 948 -3.785 3.315 6.246 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.843 1.777 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.521 1.299 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.399 0.186 6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -7.087 1.553 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.795 2.236 7.073 1.00 0.00 H new ATOM 1100 N HIS A 949 -2.236 0.350 6.837 1.00 0.00 N ATOM 1101 CA HIS A 949 -1.219 -0.682 7.008 1.00 0.00 C ATOM 1102 C HIS A 949 -0.630 -0.635 8.415 1.00 0.00 C ATOM 1103 O HIS A 949 -0.576 -1.651 9.109 1.00 0.00 O ATOM 1104 CB HIS A 949 -0.108 -0.510 5.972 1.00 0.00 C ATOM 1105 CG HIS A 949 1.132 -1.287 6.289 1.00 0.00 C ATOM 1106 ND1 HIS A 949 2.420 -0.888 6.411 1.00 0.00 N flip ATOM 1107 CD2 HIS A 949 1.131 -2.646 6.520 1.00 0.00 C flip ATOM 1108 CE1 HIS A 949 3.165 -2.001 6.712 1.00 0.00 C flip ATOM 1109 NE2 HIS A 949 2.363 -3.049 6.772 1.00 0.00 N flip ATOM 0 H HIS A 949 -2.119 0.923 6.002 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.693 -1.653 6.863 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.481 -0.820 4.996 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.145 0.547 5.895 1.00 0.00 H new ATOM 0 HD1 HIS A 949 2.772 0.063 6.300 1.00 0.00 H new ATOM 0 HD2 HIS A 949 0.258 -3.282 6.498 1.00 0.00 H new ATOM 0 HE1 HIS A 949 4.233 -2.017 6.873 1.00 0.00 H new ATOM 1117 N ILE A 950 -0.190 0.548 8.828 1.00 0.00 N ATOM 1118 CA ILE A 950 0.395 0.726 10.151 1.00 0.00 C ATOM 1119 C ILE A 950 -0.566 0.266 11.243 1.00 0.00 C ATOM 1120 O ILE A 950 -0.275 -0.671 11.985 1.00 0.00 O ATOM 1121 CB ILE A 950 0.777 2.196 10.405 1.00 0.00 C ATOM 1122 CG1 ILE A 950 1.663 2.718 9.272 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.484 2.335 11.745 1.00 0.00 C ATOM 1124 CD1 ILE A 950 2.752 1.752 8.863 1.00 0.00 C ATOM 0 H ILE A 950 -0.227 1.398 8.265 1.00 0.00 H new ATOM 0 HA ILE A 950 1.297 0.115 10.182 1.00 0.00 H new ATOM 0 HB ILE A 950 -0.134 2.794 10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 950 1.039 2.938 8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 950 2.120 3.658 9.582 1.00 0.00 H new ATOM 0 HG21 ILE A 950 1.748 3.380 11.911 1.00 0.00 H new ATOM 0 HG22 ILE A 950 0.822 1.997 12.542 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.389 1.728 11.743 1.00 0.00 H new ATOM 0 HD11 ILE A 950 3.341 2.188 8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 950 3.399 1.551 9.717 1.00 0.00 H new ATOM 0 HD13 ILE A 950 2.302 0.820 8.521 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.713 0.932 11.333 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.717 0.590 12.333 1.00 0.00 C ATOM 1138 C GLU A 951 -2.912 -0.921 12.415 1.00 0.00 C ATOM 1139 O GLU A 951 -2.979 -1.491 13.503 1.00 0.00 O ATOM 1140 CB GLU A 951 -4.048 1.270 12.005 1.00 0.00 C ATOM 1141 CG GLU A 951 -4.175 2.670 12.582 1.00 0.00 C ATOM 1142 CD GLU A 951 -5.548 3.272 12.356 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -5.943 3.422 11.180 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -6.228 3.594 13.353 1.00 0.00 O ATOM 0 H GLU A 951 -1.970 1.711 10.726 1.00 0.00 H new ATOM 0 HA GLU A 951 -2.364 0.946 13.301 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -4.163 1.321 10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -4.864 0.655 12.384 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -3.968 2.638 13.652 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -3.421 3.315 12.131 1.00 0.00 H new ATOM 1151 N ALA A 952 -3.003 -1.563 11.255 1.00 0.00 N ATOM 1152 CA ALA A 952 -3.189 -3.008 11.194 1.00 0.00 C ATOM 1153 C ALA A 952 -2.067 -3.737 11.924 1.00 0.00 C ATOM 1154 O ALA A 952 -2.314 -4.663 12.697 1.00 0.00 O ATOM 1155 CB ALA A 952 -3.267 -3.469 9.746 1.00 0.00 C ATOM 0 H ALA A 952 -2.951 -1.106 10.345 1.00 0.00 H new ATOM 0 HA ALA A 952 -4.128 -3.250 11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.406 -4.550 9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -4.108 -2.981 9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -2.343 -3.207 9.231 1.00 0.00 H new ATOM 1161 N LEU A 953 -0.832 -3.314 11.674 1.00 0.00 N ATOM 1162 CA LEU A 953 0.330 -3.927 12.308 1.00 0.00 C ATOM 1163 C LEU A 953 0.141 -4.018 13.819 1.00 0.00 C ATOM 1164 O LEU A 953 0.125 -5.109 14.390 1.00 0.00 O ATOM 1165 CB LEU A 953 1.593 -3.127 11.987 1.00 0.00 C ATOM 1166 CG LEU A 953 2.076 -3.188 10.538 1.00 0.00 C ATOM 1167 CD1 LEU A 953 3.112 -2.106 10.275 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.646 -4.563 10.223 1.00 0.00 C ATOM 0 H LEU A 953 -0.610 -2.549 11.037 1.00 0.00 H new ATOM 0 HA LEU A 953 0.438 -4.937 11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 953 1.413 -2.083 12.245 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.397 -3.481 12.632 1.00 0.00 H new ATOM 0 HG LEU A 953 1.223 -3.012 9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.444 -2.165 9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.670 -1.127 10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 953 3.965 -2.250 10.938 1.00 0.00 H new ATOM 0 HD21 LEU A 953 2.985 -4.588 9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 953 3.487 -4.769 10.885 1.00 0.00 H new ATOM 0 HD23 LEU A 953 1.875 -5.319 10.371 1.00 0.00 H new ATOM 1180 N THR A 954 -0.003 -2.864 14.463 1.00 0.00 N ATOM 1181 CA THR A 954 -0.192 -2.812 15.907 1.00 0.00 C ATOM 1182 C THR A 954 -1.329 -3.728 16.346 1.00 0.00 C ATOM 1183 O THR A 954 -1.115 -4.693 17.079 1.00 0.00 O ATOM 1184 CB THR A 954 -0.489 -1.378 16.384 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.576 -0.827 15.632 1.00 0.00 O ATOM 1186 CG2 THR A 954 0.738 -0.492 16.234 1.00 0.00 C ATOM 0 H THR A 954 0.008 -1.952 14.006 1.00 0.00 H new ATOM 0 HA THR A 954 0.740 -3.151 16.360 1.00 0.00 H new ATOM 0 HB THR A 954 -0.761 -1.419 17.439 1.00 0.00 H new ATOM 0 HG1 THR A 954 -1.939 -1.512 15.032 1.00 0.00 H new ATOM 0 HG21 THR A 954 0.503 0.516 16.577 1.00 0.00 H new ATOM 0 HG22 THR A 954 1.555 -0.898 16.831 1.00 0.00 H new ATOM 0 HG23 THR A 954 1.036 -0.458 15.186 1.00 0.00 H new