USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 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 180:sc= 0 USER MOD Set 1.2: A 949 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-10!) USER MOD Set 2.1: A 901 GLN : amide:sc= 0.162 X(o=0.33,f=-0.0055) USER MOD Set 2.2: A 904 LYS NZ :NH3+ -165:sc= 0.171 (180deg=0) USER MOD Single : A 902 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.8!) USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 914 SER OG : rot -170: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 149:sc= 1.52 USER MOD Single : A 924 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 927 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0411) USER MOD Single : A 929 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 933 SER OG : rot 180:sc= 0 USER MOD Single : A 935 SER OG : rot 96:sc= 0.104 USER MOD Single : A 942 LYS NZ :NH3+ -163:sc= -1.35 (180deg=-2.11!) USER MOD Single : A 944 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 ASN : amide:sc= -0.094 K(o=-0.094,f=-1.1) USER MOD Single : A 954 THR OG1 : rot 20:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -5.917 -0.470 -12.381 1.00 0.00 N ATOM 213 CA ARG A 896 -5.498 0.148 -11.129 1.00 0.00 C ATOM 214 C ARG A 896 -5.453 -0.881 -10.003 1.00 0.00 C ATOM 215 O ARG A 896 -4.528 -0.886 -9.192 1.00 0.00 O ATOM 216 CB ARG A 896 -6.447 1.288 -10.755 1.00 0.00 C ATOM 217 CG ARG A 896 -6.161 1.897 -9.392 1.00 0.00 C ATOM 218 CD ARG A 896 -6.969 3.166 -9.168 1.00 0.00 C ATOM 219 NE ARG A 896 -8.404 2.935 -9.322 1.00 0.00 N ATOM 220 CZ ARG A 896 -9.325 3.865 -9.096 1.00 0.00 C ATOM 221 NH1 ARG A 896 -8.965 5.081 -8.709 1.00 0.00 N ATOM 222 NH2 ARG A 896 -10.611 3.578 -9.258 1.00 0.00 N ATOM 0 HA ARG A 896 -4.495 0.551 -11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -6.380 2.068 -11.513 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -7.471 0.916 -10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -6.396 1.173 -8.612 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -5.098 2.122 -9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -6.769 3.552 -8.168 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -6.647 3.931 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 896 -8.715 2.010 -9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -7.978 5.305 -8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -9.675 5.792 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -10.891 2.644 -9.556 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -11.319 4.292 -9.085 1.00 0.00 H new ATOM 236 N GLU A 897 -6.459 -1.749 -9.961 1.00 0.00 N ATOM 237 CA GLU A 897 -6.535 -2.781 -8.934 1.00 0.00 C ATOM 238 C GLU A 897 -5.143 -3.294 -8.575 1.00 0.00 C ATOM 239 O GLU A 897 -4.672 -3.108 -7.454 1.00 0.00 O ATOM 240 CB GLU A 897 -7.412 -3.941 -9.408 1.00 0.00 C ATOM 241 CG GLU A 897 -8.887 -3.757 -9.094 1.00 0.00 C ATOM 242 CD GLU A 897 -9.211 -4.029 -7.638 1.00 0.00 C ATOM 243 OE1 GLU A 897 -9.416 -5.209 -7.285 1.00 0.00 O ATOM 244 OE2 GLU A 897 -9.260 -3.060 -6.852 1.00 0.00 O ATOM 0 H GLU A 897 -7.232 -1.758 -10.626 1.00 0.00 H new ATOM 0 HA GLU A 897 -6.982 -2.339 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -7.291 -4.061 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -7.063 -4.863 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -9.184 -2.738 -9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -9.475 -4.424 -9.724 1.00 0.00 H new ATOM 251 N GLU A 898 -4.492 -3.941 -9.536 1.00 0.00 N ATOM 252 CA GLU A 898 -3.155 -4.483 -9.321 1.00 0.00 C ATOM 253 C GLU A 898 -2.291 -3.503 -8.532 1.00 0.00 C ATOM 254 O GLU A 898 -1.603 -3.887 -7.588 1.00 0.00 O ATOM 255 CB GLU A 898 -2.489 -4.803 -10.661 1.00 0.00 C ATOM 256 CG GLU A 898 -2.837 -6.180 -11.200 1.00 0.00 C ATOM 257 CD GLU A 898 -4.291 -6.292 -11.618 1.00 0.00 C ATOM 258 OE1 GLU A 898 -4.709 -5.537 -12.521 1.00 0.00 O ATOM 259 OE2 GLU A 898 -5.009 -7.135 -11.042 1.00 0.00 O ATOM 0 H GLU A 898 -4.868 -4.103 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 898 -3.252 -5.402 -8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -2.784 -4.051 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -1.408 -4.730 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -2.199 -6.404 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -2.623 -6.929 -10.438 1.00 0.00 H new ATOM 266 N ALA A 899 -2.334 -2.235 -8.928 1.00 0.00 N ATOM 267 CA ALA A 899 -1.557 -1.199 -8.259 1.00 0.00 C ATOM 268 C ALA A 899 -1.936 -1.094 -6.786 1.00 0.00 C ATOM 269 O ALA A 899 -1.070 -0.981 -5.918 1.00 0.00 O ATOM 270 CB ALA A 899 -1.754 0.140 -8.953 1.00 0.00 C ATOM 0 H ALA A 899 -2.899 -1.901 -9.709 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.504 -1.475 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.168 0.904 -8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.427 0.064 -9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.809 0.413 -8.925 1.00 0.00 H new ATOM 276 N ILE A 900 -3.236 -1.132 -6.510 1.00 0.00 N ATOM 277 CA ILE A 900 -3.729 -1.041 -5.141 1.00 0.00 C ATOM 278 C ILE A 900 -3.175 -2.172 -4.282 1.00 0.00 C ATOM 279 O ILE A 900 -2.490 -1.931 -3.288 1.00 0.00 O ATOM 280 CB ILE A 900 -5.268 -1.082 -5.094 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.855 0.107 -5.857 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.753 -1.085 -3.652 1.00 0.00 C ATOM 283 CD1 ILE A 900 -7.326 -0.047 -6.176 1.00 0.00 C ATOM 0 H ILE A 900 -3.966 -1.225 -7.216 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.387 -0.085 -4.744 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.608 -2.000 -5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.712 1.013 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -5.302 0.241 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.842 -1.114 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -5.358 -1.961 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -5.406 -0.182 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.675 0.832 -6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.474 -0.934 -6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.890 -0.150 -5.249 1.00 0.00 H new ATOM 295 N GLN A 901 -3.474 -3.407 -4.673 1.00 0.00 N ATOM 296 CA GLN A 901 -3.004 -4.576 -3.938 1.00 0.00 C ATOM 297 C GLN A 901 -1.482 -4.586 -3.847 1.00 0.00 C ATOM 298 O GLN A 901 -0.916 -4.774 -2.771 1.00 0.00 O ATOM 299 CB GLN A 901 -3.496 -5.859 -4.611 1.00 0.00 C ATOM 300 CG GLN A 901 -5.008 -5.939 -4.736 1.00 0.00 C ATOM 301 CD GLN A 901 -5.692 -6.189 -3.407 1.00 0.00 C ATOM 302 OE1 GLN A 901 -5.993 -5.253 -2.665 1.00 0.00 O ATOM 303 NE2 GLN A 901 -5.941 -7.456 -3.098 1.00 0.00 N ATOM 0 H GLN A 901 -4.039 -3.624 -5.494 1.00 0.00 H new ATOM 0 HA GLN A 901 -3.409 -4.526 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -3.053 -5.931 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -3.141 -6.718 -4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -5.383 -5.009 -5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -5.269 -6.737 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -5.674 -8.200 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -6.399 -7.685 -2.216 1.00 0.00 H new ATOM 312 N ASN A 902 -0.825 -4.382 -4.984 1.00 0.00 N ATOM 313 CA ASN A 902 0.633 -4.369 -5.033 1.00 0.00 C ATOM 314 C ASN A 902 1.200 -3.344 -4.056 1.00 0.00 C ATOM 315 O ASN A 902 2.191 -3.604 -3.373 1.00 0.00 O ATOM 316 CB ASN A 902 1.114 -4.058 -6.452 1.00 0.00 C ATOM 317 CG ASN A 902 1.187 -5.298 -7.322 1.00 0.00 C ATOM 318 OD1 ASN A 902 1.360 -6.411 -6.823 1.00 0.00 O ATOM 319 ND2 ASN A 902 1.057 -5.112 -8.630 1.00 0.00 N ATOM 0 H ASN A 902 -1.279 -4.223 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 902 0.990 -5.357 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.440 -3.335 -6.911 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.098 -3.592 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 902 1.099 -5.909 -9.265 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.915 -4.172 -9.000 1.00 0.00 H new ATOM 326 N PHE A 903 0.565 -2.178 -3.994 1.00 0.00 N ATOM 327 CA PHE A 903 1.006 -1.114 -3.101 1.00 0.00 C ATOM 328 C PHE A 903 1.001 -1.584 -1.649 1.00 0.00 C ATOM 329 O PHE A 903 1.984 -1.417 -0.927 1.00 0.00 O ATOM 330 CB PHE A 903 0.106 0.115 -3.253 1.00 0.00 C ATOM 331 CG PHE A 903 0.709 1.372 -2.695 1.00 0.00 C ATOM 332 CD1 PHE A 903 1.702 2.047 -3.386 1.00 0.00 C ATOM 333 CD2 PHE A 903 0.282 1.879 -1.478 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.258 3.204 -2.875 1.00 0.00 C ATOM 335 CE2 PHE A 903 0.834 3.036 -0.962 1.00 0.00 C ATOM 336 CZ PHE A 903 1.824 3.699 -1.661 1.00 0.00 C ATOM 0 H PHE A 903 -0.257 -1.947 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 903 2.026 -0.845 -3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 903 -0.115 0.265 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.844 -0.076 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 903 2.046 1.664 -4.336 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.491 1.364 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 903 3.031 3.721 -3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 903 0.492 3.422 -0.013 1.00 0.00 H new ATOM 0 HZ PHE A 903 2.258 4.603 -1.259 1.00 0.00 H new ATOM 346 N LYS A 904 -0.113 -2.173 -1.228 1.00 0.00 N ATOM 347 CA LYS A 904 -0.248 -2.669 0.136 1.00 0.00 C ATOM 348 C LYS A 904 0.869 -3.652 0.471 1.00 0.00 C ATOM 349 O LYS A 904 1.533 -3.525 1.499 1.00 0.00 O ATOM 350 CB LYS A 904 -1.609 -3.345 0.322 1.00 0.00 C ATOM 351 CG LYS A 904 -2.779 -2.378 0.274 1.00 0.00 C ATOM 352 CD LYS A 904 -4.074 -3.088 -0.087 1.00 0.00 C ATOM 353 CE LYS A 904 -5.188 -2.096 -0.384 1.00 0.00 C ATOM 354 NZ LYS A 904 -6.480 -2.782 -0.666 1.00 0.00 N ATOM 0 H LYS A 904 -0.936 -2.319 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 904 -0.175 -1.819 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.740 -4.099 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.619 -3.867 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -2.888 -1.889 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -2.576 -1.595 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -3.911 -3.725 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -4.374 -3.739 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -5.311 -1.423 0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -4.909 -1.481 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -7.141 -2.110 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -6.316 -3.580 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -6.887 -3.135 0.223 1.00 0.00 H new ATOM 368 N ALA A 905 1.072 -4.631 -0.405 1.00 0.00 N ATOM 369 CA ALA A 905 2.112 -5.633 -0.204 1.00 0.00 C ATOM 370 C ALA A 905 3.478 -4.979 -0.026 1.00 0.00 C ATOM 371 O ALA A 905 4.216 -5.301 0.906 1.00 0.00 O ATOM 372 CB ALA A 905 2.139 -6.607 -1.372 1.00 0.00 C ATOM 0 H ALA A 905 0.530 -4.752 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 905 1.880 -6.183 0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 905 2.920 -7.349 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.174 -7.107 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.343 -6.063 -2.295 1.00 0.00 H new ATOM 378 N LEU A 906 3.809 -4.058 -0.925 1.00 0.00 N ATOM 379 CA LEU A 906 5.088 -3.359 -0.868 1.00 0.00 C ATOM 380 C LEU A 906 5.276 -2.678 0.484 1.00 0.00 C ATOM 381 O LEU A 906 6.354 -2.739 1.077 1.00 0.00 O ATOM 382 CB LEU A 906 5.176 -2.323 -1.990 1.00 0.00 C ATOM 383 CG LEU A 906 6.301 -1.295 -1.868 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.621 -1.892 -2.330 1.00 0.00 C ATOM 385 CD2 LEU A 906 5.970 -0.044 -2.669 1.00 0.00 C ATOM 0 H LEU A 906 3.210 -3.778 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 906 5.882 -4.094 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.295 -2.851 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 906 4.227 -1.789 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 906 6.399 -1.015 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.410 -1.146 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.864 -2.757 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.536 -2.201 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 906 6.782 0.677 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 906 5.844 -0.307 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 906 5.047 0.396 -2.292 1.00 0.00 H new ATOM 397 N LEU A 907 4.221 -2.032 0.967 1.00 0.00 N ATOM 398 CA LEU A 907 4.268 -1.341 2.252 1.00 0.00 C ATOM 399 C LEU A 907 4.677 -2.296 3.369 1.00 0.00 C ATOM 400 O LEU A 907 5.575 -1.997 4.156 1.00 0.00 O ATOM 401 CB LEU A 907 2.907 -0.720 2.569 1.00 0.00 C ATOM 402 CG LEU A 907 2.537 0.530 1.770 1.00 0.00 C ATOM 403 CD1 LEU A 907 1.057 0.845 1.926 1.00 0.00 C ATOM 404 CD2 LEU A 907 3.385 1.715 2.209 1.00 0.00 C ATOM 0 H LEU A 907 3.322 -1.972 0.489 1.00 0.00 H new ATOM 0 HA LEU A 907 5.015 -0.550 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 907 2.138 -1.474 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 907 2.883 -0.469 3.630 1.00 0.00 H new ATOM 0 HG LEU A 907 2.737 0.336 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.812 1.738 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.466 0.005 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 907 0.831 1.018 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 907 3.108 2.595 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 907 3.217 1.910 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 907 4.439 1.489 2.044 1.00 0.00 H new ATOM 416 N SER A 908 4.014 -3.446 3.430 1.00 0.00 N ATOM 417 CA SER A 908 4.308 -4.444 4.451 1.00 0.00 C ATOM 418 C SER A 908 5.752 -4.923 4.343 1.00 0.00 C ATOM 419 O SER A 908 6.516 -4.850 5.306 1.00 0.00 O ATOM 420 CB SER A 908 3.354 -5.633 4.322 1.00 0.00 C ATOM 421 OG SER A 908 3.478 -6.510 5.428 1.00 0.00 O ATOM 0 H SER A 908 3.270 -3.710 2.784 1.00 0.00 H new ATOM 0 HA SER A 908 4.169 -3.980 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 908 2.327 -5.273 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 908 3.565 -6.174 3.400 1.00 0.00 H new ATOM 0 HG SER A 908 2.857 -7.260 5.322 1.00 0.00 H new ATOM 427 N ASP A 909 6.120 -5.414 3.165 1.00 0.00 N ATOM 428 CA ASP A 909 7.473 -5.904 2.929 1.00 0.00 C ATOM 429 C ASP A 909 8.507 -4.844 3.296 1.00 0.00 C ATOM 430 O ASP A 909 9.296 -5.028 4.222 1.00 0.00 O ATOM 431 CB ASP A 909 7.642 -6.314 1.465 1.00 0.00 C ATOM 432 CG ASP A 909 7.282 -7.766 1.225 1.00 0.00 C ATOM 433 OD1 ASP A 909 6.080 -8.059 1.051 1.00 0.00 O ATOM 434 OD2 ASP A 909 8.201 -8.611 1.209 1.00 0.00 O ATOM 0 H ASP A 909 5.500 -5.483 2.358 1.00 0.00 H new ATOM 0 HA ASP A 909 7.633 -6.776 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 909 7.016 -5.679 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 909 8.674 -6.144 1.160 1.00 0.00 H new ATOM 439 N MET A 910 8.497 -3.736 2.563 1.00 0.00 N ATOM 440 CA MET A 910 9.434 -2.647 2.812 1.00 0.00 C ATOM 441 C MET A 910 9.250 -2.082 4.217 1.00 0.00 C ATOM 442 O MET A 910 10.183 -2.071 5.020 1.00 0.00 O ATOM 443 CB MET A 910 9.248 -1.538 1.775 1.00 0.00 C ATOM 444 CG MET A 910 9.757 -1.908 0.391 1.00 0.00 C ATOM 445 SD MET A 910 11.557 -1.900 0.289 1.00 0.00 S ATOM 446 CE MET A 910 11.849 -0.281 -0.420 1.00 0.00 C ATOM 0 H MET A 910 7.851 -3.568 1.792 1.00 0.00 H new ATOM 0 HA MET A 910 10.445 -3.045 2.729 1.00 0.00 H new ATOM 0 HB2 MET A 910 8.189 -1.288 1.709 1.00 0.00 H new ATOM 0 HB3 MET A 910 9.767 -0.642 2.116 1.00 0.00 H new ATOM 0 HG2 MET A 910 9.386 -2.898 0.124 1.00 0.00 H new ATOM 0 HG3 MET A 910 9.352 -1.208 -0.340 1.00 0.00 H new ATOM 0 HE1 MET A 910 12.921 -0.126 -0.545 1.00 0.00 H new ATOM 0 HE2 MET A 910 11.357 -0.215 -1.391 1.00 0.00 H new ATOM 0 HE3 MET A 910 11.447 0.485 0.243 1.00 0.00 H new ATOM 456 N VAL A 911 8.041 -1.613 4.507 1.00 0.00 N ATOM 457 CA VAL A 911 7.734 -1.047 5.815 1.00 0.00 C ATOM 458 C VAL A 911 6.983 -2.049 6.685 1.00 0.00 C ATOM 459 O VAL A 911 5.784 -1.904 6.922 1.00 0.00 O ATOM 460 CB VAL A 911 6.893 0.237 5.688 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.876 0.997 7.006 1.00 0.00 C ATOM 462 CG2 VAL A 911 7.427 1.114 4.565 1.00 0.00 C ATOM 0 H VAL A 911 7.258 -1.614 3.854 1.00 0.00 H new ATOM 0 HA VAL A 911 8.687 -0.803 6.286 1.00 0.00 H new ATOM 0 HB VAL A 911 5.868 -0.043 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 911 6.277 1.901 6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 911 6.444 0.367 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.895 1.268 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 911 6.821 2.017 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 911 8.461 1.387 4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 911 7.382 0.567 3.623 1.00 0.00 H new ATOM 472 N ARG A 912 7.697 -3.065 7.159 1.00 0.00 N ATOM 473 CA ARG A 912 7.098 -4.092 8.003 1.00 0.00 C ATOM 474 C ARG A 912 6.861 -3.565 9.415 1.00 0.00 C ATOM 475 O ARG A 912 6.016 -4.080 10.147 1.00 0.00 O ATOM 476 CB ARG A 912 7.996 -5.329 8.052 1.00 0.00 C ATOM 477 CG ARG A 912 9.227 -5.154 8.928 1.00 0.00 C ATOM 478 CD ARG A 912 10.178 -6.332 8.793 1.00 0.00 C ATOM 479 NE ARG A 912 10.727 -6.442 7.444 1.00 0.00 N ATOM 480 CZ ARG A 912 11.380 -7.510 7.001 1.00 0.00 C ATOM 481 NH1 ARG A 912 11.565 -8.555 7.796 1.00 0.00 N ATOM 482 NH2 ARG A 912 11.850 -7.534 5.761 1.00 0.00 N ATOM 0 H ARG A 912 8.691 -3.199 6.973 1.00 0.00 H new ATOM 0 HA ARG A 912 6.136 -4.367 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 912 7.415 -6.175 8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 912 8.313 -5.577 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 912 9.743 -4.235 8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 912 8.922 -5.048 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 912 10.993 -6.223 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 912 9.653 -7.253 9.046 1.00 0.00 H new ATOM 0 HE ARG A 912 10.602 -5.655 6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 912 11.205 -8.540 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 912 12.067 -9.374 7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 912 11.710 -6.732 5.147 1.00 0.00 H new ATOM 0 HH22 ARG A 912 12.352 -8.355 5.421 1.00 0.00 H new ATOM 496 N SER A 913 7.614 -2.536 9.792 1.00 0.00 N ATOM 497 CA SER A 913 7.489 -1.942 11.118 1.00 0.00 C ATOM 498 C SER A 913 6.265 -1.036 11.194 1.00 0.00 C ATOM 499 O SER A 913 5.658 -0.706 10.175 1.00 0.00 O ATOM 500 CB SER A 913 8.749 -1.147 11.464 1.00 0.00 C ATOM 501 OG SER A 913 9.708 -1.966 12.111 1.00 0.00 O ATOM 0 H SER A 913 8.317 -2.097 9.198 1.00 0.00 H new ATOM 0 HA SER A 913 7.367 -2.749 11.841 1.00 0.00 H new ATOM 0 HB2 SER A 913 9.179 -0.727 10.555 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.488 -0.308 12.109 1.00 0.00 H new ATOM 0 HG SER A 913 10.504 -1.435 12.320 1.00 0.00 H new ATOM 507 N SER A 914 5.907 -0.637 12.410 1.00 0.00 N ATOM 508 CA SER A 914 4.752 0.229 12.622 1.00 0.00 C ATOM 509 C SER A 914 5.128 1.437 13.475 1.00 0.00 C ATOM 510 O SER A 914 4.261 2.111 14.031 1.00 0.00 O ATOM 511 CB SER A 914 3.619 -0.551 13.292 1.00 0.00 C ATOM 512 OG SER A 914 3.969 -0.922 14.614 1.00 0.00 O ATOM 0 H SER A 914 6.400 -0.899 13.264 1.00 0.00 H new ATOM 0 HA SER A 914 4.412 0.585 11.649 1.00 0.00 H new ATOM 0 HB2 SER A 914 2.715 0.057 13.309 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.392 -1.443 12.708 1.00 0.00 H new ATOM 0 HG SER A 914 3.303 -1.549 14.965 1.00 0.00 H new ATOM 518 N ASP A 915 6.425 1.703 13.573 1.00 0.00 N ATOM 519 CA ASP A 915 6.917 2.830 14.357 1.00 0.00 C ATOM 520 C ASP A 915 7.591 3.864 13.460 1.00 0.00 C ATOM 521 O ASP A 915 8.551 4.520 13.863 1.00 0.00 O ATOM 522 CB ASP A 915 7.900 2.346 15.424 1.00 0.00 C ATOM 523 CG ASP A 915 7.204 1.658 16.583 1.00 0.00 C ATOM 524 OD1 ASP A 915 6.151 2.163 17.027 1.00 0.00 O ATOM 525 OD2 ASP A 915 7.711 0.615 17.044 1.00 0.00 O ATOM 0 H ASP A 915 7.155 1.154 13.120 1.00 0.00 H new ATOM 0 HA ASP A 915 6.064 3.300 14.846 1.00 0.00 H new ATOM 0 HB2 ASP A 915 8.613 1.657 14.971 1.00 0.00 H new ATOM 0 HB3 ASP A 915 8.471 3.195 15.799 1.00 0.00 H new ATOM 530 N VAL A 916 7.082 4.002 12.239 1.00 0.00 N ATOM 531 CA VAL A 916 7.634 4.955 11.284 1.00 0.00 C ATOM 532 C VAL A 916 6.620 6.041 10.943 1.00 0.00 C ATOM 533 O VAL A 916 5.454 5.959 11.329 1.00 0.00 O ATOM 534 CB VAL A 916 8.077 4.256 9.986 1.00 0.00 C ATOM 535 CG1 VAL A 916 9.222 3.293 10.261 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.903 3.532 9.343 1.00 0.00 C ATOM 0 H VAL A 916 6.288 3.466 11.889 1.00 0.00 H new ATOM 0 HA VAL A 916 8.504 5.410 11.758 1.00 0.00 H new ATOM 0 HB VAL A 916 8.432 5.015 9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 916 9.521 2.809 9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 916 10.069 3.842 10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 916 8.898 2.537 10.976 1.00 0.00 H new ATOM 0 HG21 VAL A 916 7.234 3.044 8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 916 6.515 2.783 10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 916 6.117 4.250 9.108 1.00 0.00 H new ATOM 546 N SER A 917 7.072 7.058 10.217 1.00 0.00 N ATOM 547 CA SER A 917 6.205 8.164 9.826 1.00 0.00 C ATOM 548 C SER A 917 5.898 8.111 8.332 1.00 0.00 C ATOM 549 O SER A 917 6.650 7.526 7.553 1.00 0.00 O ATOM 550 CB SER A 917 6.858 9.501 10.177 1.00 0.00 C ATOM 551 OG SER A 917 7.039 9.629 11.577 1.00 0.00 O ATOM 0 H SER A 917 8.034 7.139 9.887 1.00 0.00 H new ATOM 0 HA SER A 917 5.268 8.071 10.376 1.00 0.00 H new ATOM 0 HB2 SER A 917 7.822 9.582 9.674 1.00 0.00 H new ATOM 0 HB3 SER A 917 6.238 10.319 9.811 1.00 0.00 H new ATOM 0 HG SER A 917 7.460 10.492 11.775 1.00 0.00 H new ATOM 557 N TRP A 918 4.788 8.727 7.941 1.00 0.00 N ATOM 558 CA TRP A 918 4.381 8.751 6.541 1.00 0.00 C ATOM 559 C TRP A 918 5.482 9.336 5.663 1.00 0.00 C ATOM 560 O TRP A 918 6.088 8.629 4.859 1.00 0.00 O ATOM 561 CB TRP A 918 3.095 9.563 6.376 1.00 0.00 C ATOM 562 CG TRP A 918 2.816 9.952 4.956 1.00 0.00 C ATOM 563 CD1 TRP A 918 2.609 11.214 4.477 1.00 0.00 C ATOM 564 CD2 TRP A 918 2.711 9.072 3.831 1.00 0.00 C ATOM 565 NE1 TRP A 918 2.382 11.172 3.123 1.00 0.00 N ATOM 566 CE2 TRP A 918 2.440 9.870 2.702 1.00 0.00 C ATOM 567 CE3 TRP A 918 2.822 7.689 3.668 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.277 9.328 1.430 1.00 0.00 C ATOM 569 CZ3 TRP A 918 2.660 7.152 2.405 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.391 7.970 1.299 1.00 0.00 C ATOM 0 H TRP A 918 4.154 9.216 8.573 1.00 0.00 H new ATOM 0 HA TRP A 918 4.197 7.724 6.225 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.255 8.982 6.758 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.162 10.464 6.986 1.00 0.00 H new ATOM 0 HD1 TRP A 918 2.622 12.113 5.075 1.00 0.00 H new ATOM 0 HE1 TRP A 918 2.200 11.980 2.527 1.00 0.00 H new ATOM 0 HE3 TRP A 918 3.031 7.051 4.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.068 9.956 0.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 2.742 6.084 2.268 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.271 7.520 0.324 1.00 0.00 H new ATOM 581 N SER A 919 5.736 10.631 5.824 1.00 0.00 N ATOM 582 CA SER A 919 6.763 11.311 5.043 1.00 0.00 C ATOM 583 C SER A 919 7.949 10.387 4.784 1.00 0.00 C ATOM 584 O SER A 919 8.263 10.068 3.637 1.00 0.00 O ATOM 585 CB SER A 919 7.233 12.573 5.769 1.00 0.00 C ATOM 586 OG SER A 919 6.309 13.633 5.599 1.00 0.00 O ATOM 0 H SER A 919 5.245 11.230 6.488 1.00 0.00 H new ATOM 0 HA SER A 919 6.329 11.593 4.084 1.00 0.00 H new ATOM 0 HB2 SER A 919 7.356 12.361 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 919 8.209 12.873 5.388 1.00 0.00 H new ATOM 0 HG SER A 919 6.631 14.427 6.074 1.00 0.00 H new ATOM 592 N ASP A 920 8.605 9.962 5.858 1.00 0.00 N ATOM 593 CA ASP A 920 9.756 9.074 5.749 1.00 0.00 C ATOM 594 C ASP A 920 9.443 7.887 4.843 1.00 0.00 C ATOM 595 O ASP A 920 10.261 7.495 4.010 1.00 0.00 O ATOM 596 CB ASP A 920 10.178 8.578 7.133 1.00 0.00 C ATOM 597 CG ASP A 920 11.655 8.239 7.201 1.00 0.00 C ATOM 598 OD1 ASP A 920 12.248 7.958 6.140 1.00 0.00 O ATOM 599 OD2 ASP A 920 12.216 8.254 8.317 1.00 0.00 O ATOM 0 H ASP A 920 8.359 10.218 6.814 1.00 0.00 H new ATOM 0 HA ASP A 920 10.578 9.638 5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 920 9.949 9.343 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 920 9.593 7.696 7.394 1.00 0.00 H new ATOM 604 N THR A 921 8.254 7.316 5.013 1.00 0.00 N ATOM 605 CA THR A 921 7.834 6.173 4.214 1.00 0.00 C ATOM 606 C THR A 921 7.731 6.542 2.738 1.00 0.00 C ATOM 607 O THR A 921 8.144 5.776 1.867 1.00 0.00 O ATOM 608 CB THR A 921 6.476 5.623 4.690 1.00 0.00 C ATOM 609 OG1 THR A 921 6.598 5.101 6.018 1.00 0.00 O ATOM 610 CG2 THR A 921 5.976 4.533 3.755 1.00 0.00 C ATOM 0 H THR A 921 7.565 7.628 5.698 1.00 0.00 H new ATOM 0 HA THR A 921 8.594 5.402 4.341 1.00 0.00 H new ATOM 0 HB THR A 921 5.756 6.441 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 921 5.747 5.209 6.492 1.00 0.00 H new ATOM 0 HG21 THR A 921 5.016 4.160 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 921 5.857 4.941 2.751 1.00 0.00 H new ATOM 0 HG23 THR A 921 6.697 3.715 3.731 1.00 0.00 H new ATOM 618 N ARG A 922 7.177 7.719 2.465 1.00 0.00 N ATOM 619 CA ARG A 922 7.019 8.189 1.094 1.00 0.00 C ATOM 620 C ARG A 922 8.369 8.264 0.386 1.00 0.00 C ATOM 621 O ARG A 922 8.543 7.713 -0.701 1.00 0.00 O ATOM 622 CB ARG A 922 6.345 9.562 1.077 1.00 0.00 C ATOM 623 CG ARG A 922 5.657 9.887 -0.239 1.00 0.00 C ATOM 624 CD ARG A 922 4.790 11.130 -0.122 1.00 0.00 C ATOM 625 NE ARG A 922 4.568 11.767 -1.417 1.00 0.00 N ATOM 626 CZ ARG A 922 5.508 12.430 -2.081 1.00 0.00 C ATOM 627 NH1 ARG A 922 6.728 12.542 -1.573 1.00 0.00 N ATOM 628 NH2 ARG A 922 5.230 12.982 -3.255 1.00 0.00 N ATOM 0 H ARG A 922 6.830 8.364 3.175 1.00 0.00 H new ATOM 0 HA ARG A 922 6.388 7.476 0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 922 5.611 9.607 1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 922 7.093 10.327 1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 922 6.407 10.037 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 922 5.043 9.041 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 922 3.830 10.862 0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 922 5.265 11.841 0.555 1.00 0.00 H new ATOM 0 HE ARG A 922 3.640 11.699 -1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 922 6.946 12.119 -0.671 1.00 0.00 H new ATOM 0 HH12 ARG A 922 7.449 13.052 -2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 922 4.293 12.898 -3.649 1.00 0.00 H new ATOM 0 HH22 ARG A 922 5.953 13.491 -3.763 1.00 0.00 H new ATOM 642 N ARG A 923 9.321 8.951 1.010 1.00 0.00 N ATOM 643 CA ARG A 923 10.654 9.100 0.440 1.00 0.00 C ATOM 644 C ARG A 923 11.297 7.738 0.196 1.00 0.00 C ATOM 645 O ARG A 923 11.960 7.524 -0.819 1.00 0.00 O ATOM 646 CB ARG A 923 11.539 9.935 1.368 1.00 0.00 C ATOM 647 CG ARG A 923 11.639 9.377 2.778 1.00 0.00 C ATOM 648 CD ARG A 923 12.738 10.064 3.572 1.00 0.00 C ATOM 649 NE ARG A 923 12.247 11.244 4.280 1.00 0.00 N ATOM 650 CZ ARG A 923 13.041 12.138 4.858 1.00 0.00 C ATOM 651 NH1 ARG A 923 14.358 11.987 4.812 1.00 0.00 N ATOM 652 NH2 ARG A 923 12.519 13.185 5.483 1.00 0.00 N ATOM 0 H ARG A 923 9.193 9.413 1.910 1.00 0.00 H new ATOM 0 HA ARG A 923 10.557 9.613 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 923 12.539 10.000 0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 923 11.145 10.950 1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 923 10.685 9.505 3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 923 11.836 8.306 2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 923 13.160 9.361 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 923 13.544 10.355 2.898 1.00 0.00 H new ATOM 0 HE ARG A 923 11.239 11.389 4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 923 14.763 11.183 4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 923 14.966 12.675 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 923 11.507 13.304 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 923 13.130 13.871 5.927 1.00 0.00 H new ATOM 666 N THR A 924 11.096 6.818 1.135 1.00 0.00 N ATOM 667 CA THR A 924 11.657 5.478 1.023 1.00 0.00 C ATOM 668 C THR A 924 11.120 4.757 -0.208 1.00 0.00 C ATOM 669 O THR A 924 11.857 4.499 -1.160 1.00 0.00 O ATOM 670 CB THR A 924 11.347 4.633 2.274 1.00 0.00 C ATOM 671 OG1 THR A 924 11.842 5.293 3.445 1.00 0.00 O ATOM 672 CG2 THR A 924 11.972 3.251 2.162 1.00 0.00 C ATOM 0 H THR A 924 10.549 6.977 1.981 1.00 0.00 H new ATOM 0 HA THR A 924 12.737 5.595 0.930 1.00 0.00 H new ATOM 0 HB THR A 924 10.266 4.520 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 924 11.282 6.073 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 924 11.740 2.673 3.056 1.00 0.00 H new ATOM 0 HG22 THR A 924 11.572 2.741 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 924 13.053 3.348 2.063 1.00 0.00 H new ATOM 680 N LEU A 925 9.831 4.435 -0.184 1.00 0.00 N ATOM 681 CA LEU A 925 9.194 3.745 -1.300 1.00 0.00 C ATOM 682 C LEU A 925 9.559 4.402 -2.627 1.00 0.00 C ATOM 683 O LEU A 925 9.930 3.724 -3.585 1.00 0.00 O ATOM 684 CB LEU A 925 7.675 3.739 -1.121 1.00 0.00 C ATOM 685 CG LEU A 925 7.158 3.203 0.214 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.642 3.313 0.283 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.599 1.761 0.416 1.00 0.00 C ATOM 0 H LEU A 925 9.207 4.641 0.596 1.00 0.00 H new ATOM 0 HA LEU A 925 9.556 2.717 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.311 4.759 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.237 3.144 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 925 7.582 3.808 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 925 5.292 2.927 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.348 4.358 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 925 5.198 2.733 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 925 7.222 1.396 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 925 7.204 1.143 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.688 1.710 0.412 1.00 0.00 H new ATOM 699 N ARG A 926 9.454 5.726 -2.675 1.00 0.00 N ATOM 700 CA ARG A 926 9.774 6.475 -3.884 1.00 0.00 C ATOM 701 C ARG A 926 10.967 5.856 -4.606 1.00 0.00 C ATOM 702 O ARG A 926 10.834 5.332 -5.713 1.00 0.00 O ATOM 703 CB ARG A 926 10.073 7.935 -3.541 1.00 0.00 C ATOM 704 CG ARG A 926 8.833 8.813 -3.481 1.00 0.00 C ATOM 705 CD ARG A 926 9.178 10.237 -3.073 1.00 0.00 C ATOM 706 NE ARG A 926 9.565 11.056 -4.219 1.00 0.00 N ATOM 707 CZ ARG A 926 9.899 12.338 -4.126 1.00 0.00 C ATOM 708 NH1 ARG A 926 9.893 12.944 -2.947 1.00 0.00 N ATOM 709 NH2 ARG A 926 10.240 13.016 -5.215 1.00 0.00 N ATOM 0 H ARG A 926 9.150 6.302 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 926 8.909 6.435 -4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 926 10.584 7.976 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 926 10.760 8.341 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 926 8.344 8.821 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 926 8.122 8.392 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 926 8.320 10.690 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 926 9.992 10.219 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 926 9.579 10.620 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 926 9.631 12.426 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 926 10.150 13.929 -2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 926 10.246 12.552 -6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 926 10.496 14.001 -5.143 1.00 0.00 H new ATOM 723 N LYS A 927 12.134 5.921 -3.974 1.00 0.00 N ATOM 724 CA LYS A 927 13.351 5.367 -4.554 1.00 0.00 C ATOM 725 C LYS A 927 13.088 3.995 -5.165 1.00 0.00 C ATOM 726 O LYS A 927 13.575 3.685 -6.252 1.00 0.00 O ATOM 727 CB LYS A 927 14.446 5.262 -3.490 1.00 0.00 C ATOM 728 CG LYS A 927 14.815 6.595 -2.863 1.00 0.00 C ATOM 729 CD LYS A 927 15.699 7.419 -3.784 1.00 0.00 C ATOM 730 CE LYS A 927 16.185 8.689 -3.102 1.00 0.00 C ATOM 731 NZ LYS A 927 15.060 9.609 -2.777 1.00 0.00 N ATOM 0 H LYS A 927 12.262 6.353 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 927 13.684 6.039 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 927 14.115 4.581 -2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 927 15.337 4.823 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 927 13.908 7.153 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 927 15.332 6.423 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 927 16.556 6.822 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 927 15.145 7.679 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 927 16.717 8.429 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 927 16.896 9.200 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 15.440 10.510 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 14.496 9.783 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 14.458 9.177 -2.048 1.00 0.00 H new ATOM 745 N ASP A 928 12.313 3.178 -4.460 1.00 0.00 N ATOM 746 CA ASP A 928 11.983 1.839 -4.934 1.00 0.00 C ATOM 747 C ASP A 928 11.628 1.860 -6.418 1.00 0.00 C ATOM 748 O ASP A 928 11.393 2.922 -6.995 1.00 0.00 O ATOM 749 CB ASP A 928 10.818 1.262 -4.127 1.00 0.00 C ATOM 750 CG ASP A 928 10.722 -0.246 -4.247 1.00 0.00 C ATOM 751 OD1 ASP A 928 11.777 -0.914 -4.202 1.00 0.00 O ATOM 752 OD2 ASP A 928 9.592 -0.759 -4.385 1.00 0.00 O ATOM 0 H ASP A 928 11.902 3.420 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 928 12.859 1.206 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 928 10.937 1.533 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 928 9.885 1.711 -4.469 1.00 0.00 H new ATOM 757 N HIS A 929 11.593 0.680 -7.029 1.00 0.00 N ATOM 758 CA HIS A 929 11.267 0.563 -8.446 1.00 0.00 C ATOM 759 C HIS A 929 9.768 0.363 -8.645 1.00 0.00 C ATOM 760 O HIS A 929 9.136 1.071 -9.428 1.00 0.00 O ATOM 761 CB HIS A 929 12.037 -0.599 -9.074 1.00 0.00 C ATOM 762 CG HIS A 929 13.521 -0.498 -8.900 1.00 0.00 C ATOM 763 ND1 HIS A 929 14.220 0.678 -9.071 1.00 0.00 N ATOM 764 CD2 HIS A 929 14.440 -1.435 -8.568 1.00 0.00 C ATOM 765 CE1 HIS A 929 15.505 0.460 -8.853 1.00 0.00 C ATOM 766 NE2 HIS A 929 15.665 -0.815 -8.545 1.00 0.00 N ATOM 0 H HIS A 929 11.786 -0.208 -6.566 1.00 0.00 H new ATOM 0 HA HIS A 929 11.559 1.491 -8.938 1.00 0.00 H new ATOM 0 HB2 HIS A 929 11.691 -1.534 -8.633 1.00 0.00 H new ATOM 0 HB3 HIS A 929 11.807 -0.644 -10.138 1.00 0.00 H new ATOM 0 HD2 HIS A 929 14.246 -2.477 -8.360 1.00 0.00 H new ATOM 0 HE1 HIS A 929 16.291 1.198 -8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 929 16.554 -1.265 -8.326 1.00 0.00 H new ATOM 774 N ARG A 930 9.206 -0.608 -7.931 1.00 0.00 N ATOM 775 CA ARG A 930 7.782 -0.903 -8.031 1.00 0.00 C ATOM 776 C ARG A 930 6.953 0.374 -7.919 1.00 0.00 C ATOM 777 O ARG A 930 6.008 0.581 -8.680 1.00 0.00 O ATOM 778 CB ARG A 930 7.367 -1.891 -6.939 1.00 0.00 C ATOM 779 CG ARG A 930 7.925 -3.290 -7.140 1.00 0.00 C ATOM 780 CD ARG A 930 9.407 -3.352 -6.805 1.00 0.00 C ATOM 781 NE ARG A 930 9.803 -4.670 -6.317 1.00 0.00 N ATOM 782 CZ ARG A 930 10.940 -4.903 -5.670 1.00 0.00 C ATOM 783 NH1 ARG A 930 11.788 -3.912 -5.436 1.00 0.00 N ATOM 784 NH2 ARG A 930 11.230 -6.130 -5.257 1.00 0.00 N ATOM 0 H ARG A 930 9.715 -1.203 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 930 7.597 -1.351 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 930 7.699 -1.512 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 930 6.279 -1.945 -6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 930 7.379 -3.994 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 930 7.771 -3.599 -8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 930 9.990 -3.104 -7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 930 9.640 -2.601 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 930 9.172 -5.455 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 930 11.569 -2.968 -5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 930 12.660 -4.094 -4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 930 10.580 -6.895 -5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 930 12.103 -6.308 -4.760 1.00 0.00 H new ATOM 798 N TRP A 931 7.314 1.225 -6.965 1.00 0.00 N ATOM 799 CA TRP A 931 6.603 2.480 -6.753 1.00 0.00 C ATOM 800 C TRP A 931 6.202 3.110 -8.083 1.00 0.00 C ATOM 801 O TRP A 931 5.154 3.747 -8.187 1.00 0.00 O ATOM 802 CB TRP A 931 7.472 3.453 -5.955 1.00 0.00 C ATOM 803 CG TRP A 931 6.944 4.856 -5.952 1.00 0.00 C ATOM 804 CD1 TRP A 931 7.053 5.775 -6.956 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.226 5.499 -4.893 1.00 0.00 C ATOM 806 NE1 TRP A 931 6.446 6.951 -6.586 1.00 0.00 N ATOM 807 CE2 TRP A 931 5.930 6.807 -5.325 1.00 0.00 C ATOM 808 CE3 TRP A 931 5.802 5.097 -3.624 1.00 0.00 C ATOM 809 CZ2 TRP A 931 5.232 7.713 -4.530 1.00 0.00 C ATOM 810 CZ3 TRP A 931 5.109 5.997 -2.836 1.00 0.00 C ATOM 811 CH2 TRP A 931 4.829 7.293 -3.292 1.00 0.00 C ATOM 0 H TRP A 931 8.094 1.069 -6.327 1.00 0.00 H new ATOM 0 HA TRP A 931 5.697 2.265 -6.187 1.00 0.00 H new ATOM 0 HB2 TRP A 931 7.550 3.100 -4.927 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.480 3.453 -6.370 1.00 0.00 H new ATOM 0 HD1 TRP A 931 7.544 5.603 -7.902 1.00 0.00 H new ATOM 0 HE1 TRP A 931 6.389 7.794 -7.157 1.00 0.00 H new ATOM 0 HE3 TRP A 931 6.012 4.100 -3.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 5.016 8.712 -4.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 4.778 5.697 -1.853 1.00 0.00 H new ATOM 0 HH2 TRP A 931 4.285 7.973 -2.653 1.00 0.00 H new ATOM 822 N GLU A 932 7.044 2.929 -9.096 1.00 0.00 N ATOM 823 CA GLU A 932 6.776 3.481 -10.419 1.00 0.00 C ATOM 824 C GLU A 932 5.332 3.217 -10.836 1.00 0.00 C ATOM 825 O GLU A 932 4.603 4.138 -11.205 1.00 0.00 O ATOM 826 CB GLU A 932 7.734 2.881 -11.450 1.00 0.00 C ATOM 827 CG GLU A 932 9.194 3.212 -11.189 1.00 0.00 C ATOM 828 CD GLU A 932 10.142 2.268 -11.902 1.00 0.00 C ATOM 829 OE1 GLU A 932 9.769 1.749 -12.975 1.00 0.00 O ATOM 830 OE2 GLU A 932 11.258 2.048 -11.387 1.00 0.00 O ATOM 0 H GLU A 932 7.916 2.405 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 932 6.932 4.559 -10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 932 7.612 1.798 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 932 7.460 3.242 -12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 932 9.394 4.234 -11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 932 9.386 3.172 -10.117 1.00 0.00 H new ATOM 837 N SER A 933 4.926 1.953 -10.776 1.00 0.00 N ATOM 838 CA SER A 933 3.571 1.566 -11.151 1.00 0.00 C ATOM 839 C SER A 933 2.548 2.178 -10.199 1.00 0.00 C ATOM 840 O SER A 933 1.453 2.561 -10.608 1.00 0.00 O ATOM 841 CB SER A 933 3.435 0.043 -11.154 1.00 0.00 C ATOM 842 OG SER A 933 4.427 -0.556 -11.970 1.00 0.00 O ATOM 0 H SER A 933 5.516 1.179 -10.471 1.00 0.00 H new ATOM 0 HA SER A 933 3.377 1.942 -12.155 1.00 0.00 H new ATOM 0 HB2 SER A 933 3.521 -0.335 -10.135 1.00 0.00 H new ATOM 0 HB3 SER A 933 2.445 -0.236 -11.515 1.00 0.00 H new ATOM 0 HG SER A 933 4.320 -1.530 -11.954 1.00 0.00 H new ATOM 848 N GLY A 934 2.914 2.266 -8.923 1.00 0.00 N ATOM 849 CA GLY A 934 2.018 2.831 -7.932 1.00 0.00 C ATOM 850 C GLY A 934 1.588 4.243 -8.277 1.00 0.00 C ATOM 851 O GLY A 934 0.639 4.769 -7.696 1.00 0.00 O ATOM 0 H GLY A 934 3.815 1.956 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.136 2.198 -7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.511 2.832 -6.960 1.00 0.00 H new ATOM 855 N SER A 935 2.288 4.859 -9.224 1.00 0.00 N ATOM 856 CA SER A 935 1.977 6.221 -9.641 1.00 0.00 C ATOM 857 C SER A 935 0.475 6.397 -9.841 1.00 0.00 C ATOM 858 O SER A 935 -0.088 7.443 -9.514 1.00 0.00 O ATOM 859 CB SER A 935 2.719 6.562 -10.934 1.00 0.00 C ATOM 860 OG SER A 935 4.022 7.047 -10.662 1.00 0.00 O ATOM 0 H SER A 935 3.075 4.436 -9.717 1.00 0.00 H new ATOM 0 HA SER A 935 2.303 6.900 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.782 5.676 -11.565 1.00 0.00 H new ATOM 0 HB3 SER A 935 2.158 7.312 -11.492 1.00 0.00 H new ATOM 0 HG SER A 935 4.666 6.312 -10.733 1.00 0.00 H new ATOM 866 N LEU A 936 -0.169 5.369 -10.382 1.00 0.00 N ATOM 867 CA LEU A 936 -1.606 5.408 -10.627 1.00 0.00 C ATOM 868 C LEU A 936 -2.340 6.061 -9.459 1.00 0.00 C ATOM 869 O LEU A 936 -3.119 6.996 -9.647 1.00 0.00 O ATOM 870 CB LEU A 936 -2.144 3.995 -10.855 1.00 0.00 C ATOM 871 CG LEU A 936 -1.651 3.285 -12.117 1.00 0.00 C ATOM 872 CD1 LEU A 936 -1.880 1.785 -12.010 1.00 0.00 C ATOM 873 CD2 LEU A 936 -2.344 3.845 -13.350 1.00 0.00 C ATOM 0 H LEU A 936 0.282 4.497 -10.660 1.00 0.00 H new ATOM 0 HA LEU A 936 -1.780 6.005 -11.522 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.881 3.384 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.232 4.043 -10.891 1.00 0.00 H new ATOM 0 HG LEU A 936 -0.580 3.462 -12.215 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -1.523 1.297 -12.917 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.336 1.394 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -2.945 1.587 -11.887 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -1.981 3.328 -14.238 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -3.420 3.699 -13.260 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -2.128 4.910 -13.437 1.00 0.00 H new ATOM 885 N LEU A 937 -2.084 5.564 -8.255 1.00 0.00 N ATOM 886 CA LEU A 937 -2.718 6.100 -7.055 1.00 0.00 C ATOM 887 C LEU A 937 -2.360 7.570 -6.860 1.00 0.00 C ATOM 888 O LEU A 937 -1.424 8.077 -7.478 1.00 0.00 O ATOM 889 CB LEU A 937 -2.294 5.293 -5.826 1.00 0.00 C ATOM 890 CG LEU A 937 -2.379 3.772 -5.960 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.597 3.094 -4.846 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.831 3.316 -5.949 1.00 0.00 C ATOM 0 H LEU A 937 -1.442 4.790 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.798 6.021 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -1.266 5.559 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -2.914 5.599 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.936 3.485 -6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.669 2.012 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.551 3.396 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -2.010 3.387 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.872 2.231 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.299 3.615 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.363 3.775 -6.783 1.00 0.00 H new ATOM 904 N GLU A 938 -3.110 8.247 -5.997 1.00 0.00 N ATOM 905 CA GLU A 938 -2.870 9.659 -5.721 1.00 0.00 C ATOM 906 C GLU A 938 -2.326 9.851 -4.308 1.00 0.00 C ATOM 907 O GLU A 938 -2.631 9.075 -3.403 1.00 0.00 O ATOM 908 CB GLU A 938 -4.160 10.462 -5.896 1.00 0.00 C ATOM 909 CG GLU A 938 -5.120 10.336 -4.725 1.00 0.00 C ATOM 910 CD GLU A 938 -6.489 10.914 -5.028 1.00 0.00 C ATOM 911 OE1 GLU A 938 -7.113 10.475 -6.016 1.00 0.00 O ATOM 912 OE2 GLU A 938 -6.936 11.806 -4.276 1.00 0.00 O ATOM 0 H GLU A 938 -3.888 7.841 -5.477 1.00 0.00 H new ATOM 0 HA GLU A 938 -2.126 10.021 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.907 11.513 -6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.663 10.131 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.225 9.285 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -4.699 10.845 -3.858 1.00 0.00 H new ATOM 919 N ARG A 939 -1.518 10.891 -4.128 1.00 0.00 N ATOM 920 CA ARG A 939 -0.930 11.186 -2.827 1.00 0.00 C ATOM 921 C ARG A 939 -1.906 10.855 -1.702 1.00 0.00 C ATOM 922 O ARG A 939 -1.522 10.278 -0.685 1.00 0.00 O ATOM 923 CB ARG A 939 -0.525 12.659 -2.749 1.00 0.00 C ATOM 924 CG ARG A 939 0.661 12.917 -1.834 1.00 0.00 C ATOM 925 CD ARG A 939 0.644 14.335 -1.285 1.00 0.00 C ATOM 926 NE ARG A 939 1.990 14.835 -1.019 1.00 0.00 N ATOM 927 CZ ARG A 939 2.241 16.050 -0.545 1.00 0.00 C ATOM 928 NH1 ARG A 939 1.244 16.884 -0.285 1.00 0.00 N ATOM 929 NH2 ARG A 939 3.493 16.434 -0.330 1.00 0.00 N ATOM 0 H ARG A 939 -1.256 11.543 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 939 -0.042 10.566 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 939 -0.284 13.014 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 939 -1.376 13.243 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 939 0.646 12.206 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 939 1.588 12.749 -2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 939 0.147 14.994 -1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 939 0.059 14.361 -0.365 1.00 0.00 H new ATOM 0 HE ARG A 939 2.780 14.218 -1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 939 0.280 16.593 -0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 939 1.441 17.816 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 939 4.263 15.796 -0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 939 3.685 17.367 0.034 1.00 0.00 H new ATOM 943 N GLU A 940 -3.168 11.225 -1.892 1.00 0.00 N ATOM 944 CA GLU A 940 -4.198 10.968 -0.892 1.00 0.00 C ATOM 945 C GLU A 940 -4.343 9.471 -0.633 1.00 0.00 C ATOM 946 O GLU A 940 -4.215 9.013 0.502 1.00 0.00 O ATOM 947 CB GLU A 940 -5.538 11.551 -1.346 1.00 0.00 C ATOM 948 CG GLU A 940 -6.566 11.653 -0.232 1.00 0.00 C ATOM 949 CD GLU A 940 -7.795 12.439 -0.642 1.00 0.00 C ATOM 950 OE1 GLU A 940 -8.262 12.257 -1.786 1.00 0.00 O ATOM 951 OE2 GLU A 940 -8.290 13.237 0.181 1.00 0.00 O ATOM 0 H GLU A 940 -3.502 11.703 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 940 -3.896 11.452 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -5.370 12.543 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -5.942 10.931 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -6.866 10.651 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -6.109 12.127 0.636 1.00 0.00 H new ATOM 958 N GLU A 941 -4.612 8.717 -1.694 1.00 0.00 N ATOM 959 CA GLU A 941 -4.777 7.272 -1.581 1.00 0.00 C ATOM 960 C GLU A 941 -3.540 6.631 -0.958 1.00 0.00 C ATOM 961 O GLU A 941 -3.646 5.770 -0.084 1.00 0.00 O ATOM 962 CB GLU A 941 -5.045 6.658 -2.956 1.00 0.00 C ATOM 963 CG GLU A 941 -5.592 5.242 -2.894 1.00 0.00 C ATOM 964 CD GLU A 941 -6.806 5.124 -1.993 1.00 0.00 C ATOM 965 OE1 GLU A 941 -7.567 6.109 -1.893 1.00 0.00 O ATOM 966 OE2 GLU A 941 -6.994 4.048 -1.388 1.00 0.00 O ATOM 0 H GLU A 941 -4.720 9.082 -2.640 1.00 0.00 H new ATOM 0 HA GLU A 941 -5.631 7.079 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -5.753 7.289 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -4.119 6.656 -3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -5.857 4.915 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -4.812 4.571 -2.536 1.00 0.00 H new ATOM 973 N LYS A 942 -2.367 7.056 -1.414 1.00 0.00 N ATOM 974 CA LYS A 942 -1.108 6.526 -0.903 1.00 0.00 C ATOM 975 C LYS A 942 -1.008 6.722 0.606 1.00 0.00 C ATOM 976 O LYS A 942 -0.874 5.758 1.358 1.00 0.00 O ATOM 977 CB LYS A 942 0.075 7.206 -1.596 1.00 0.00 C ATOM 978 CG LYS A 942 0.163 6.907 -3.083 1.00 0.00 C ATOM 979 CD LYS A 942 1.374 7.571 -3.714 1.00 0.00 C ATOM 980 CE LYS A 942 1.255 7.622 -5.230 1.00 0.00 C ATOM 981 NZ LYS A 942 0.241 8.618 -5.673 1.00 0.00 N ATOM 0 H LYS A 942 -2.262 7.767 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 942 -1.080 5.457 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -0.003 8.284 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 942 0.999 6.887 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 942 0.217 5.829 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -0.743 7.254 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 942 1.481 8.582 -3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 942 2.276 7.025 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 942 2.224 7.873 -5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 942 0.984 6.636 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -0.021 8.430 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -0.604 8.545 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 0.639 9.576 -5.596 1.00 0.00 H new ATOM 995 N GLU A 943 -1.076 7.976 1.041 1.00 0.00 N ATOM 996 CA GLU A 943 -0.994 8.297 2.461 1.00 0.00 C ATOM 997 C GLU A 943 -1.993 7.470 3.265 1.00 0.00 C ATOM 998 O GLU A 943 -1.657 6.911 4.309 1.00 0.00 O ATOM 999 CB GLU A 943 -1.252 9.788 2.686 1.00 0.00 C ATOM 1000 CG GLU A 943 -0.694 10.312 3.998 1.00 0.00 C ATOM 1001 CD GLU A 943 -1.295 11.646 4.397 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -0.913 12.672 3.797 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -2.147 11.663 5.310 1.00 0.00 O ATOM 0 H GLU A 943 -1.188 8.786 0.431 1.00 0.00 H new ATOM 0 HA GLU A 943 0.012 8.054 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -0.813 10.352 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.326 9.970 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -0.883 9.583 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 943 0.388 10.416 3.913 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.224 7.396 2.771 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.274 6.637 3.440 1.00 0.00 C ATOM 1012 C LYS A 944 -3.874 5.173 3.592 1.00 0.00 C ATOM 1013 O LYS A 944 -4.006 4.592 4.670 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.585 6.741 2.657 1.00 0.00 C ATOM 1015 CG LYS A 944 -6.311 8.060 2.860 1.00 0.00 C ATOM 1016 CD LYS A 944 -6.876 8.175 4.265 1.00 0.00 C ATOM 1017 CE LYS A 944 -8.081 9.102 4.307 1.00 0.00 C ATOM 1018 NZ LYS A 944 -7.682 10.522 4.513 1.00 0.00 N ATOM 0 H LYS A 944 -3.519 7.853 1.908 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.418 7.061 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -5.376 6.611 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -6.242 5.924 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -5.625 8.886 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -7.119 8.147 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -7.163 7.187 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -6.105 8.548 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -8.640 9.013 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -8.749 8.792 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -8.532 11.122 4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -7.171 10.612 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -7.065 10.826 3.733 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.385 4.583 2.507 1.00 0.00 N ATOM 1033 CA LEU A 945 -2.965 3.186 2.520 1.00 0.00 C ATOM 1034 C LEU A 945 -1.950 2.933 3.630 1.00 0.00 C ATOM 1035 O LEU A 945 -2.193 2.138 4.539 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.364 2.801 1.167 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.361 2.569 0.031 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -2.652 2.586 -1.314 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.100 1.254 0.231 1.00 0.00 C ATOM 0 H LEU A 945 -3.270 5.050 1.607 1.00 0.00 H new ATOM 0 HA LEU A 945 -3.844 2.570 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -1.673 3.587 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -1.776 1.893 1.298 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.091 3.378 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -3.378 2.419 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -2.170 3.553 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -1.899 1.798 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -4.805 1.105 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.384 0.433 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -4.641 1.281 1.177 1.00 0.00 H new ATOM 1051 N PHE A 946 -0.813 3.616 3.552 1.00 0.00 N ATOM 1052 CA PHE A 946 0.239 3.467 4.551 1.00 0.00 C ATOM 1053 C PHE A 946 -0.335 3.549 5.962 1.00 0.00 C ATOM 1054 O PHE A 946 -0.255 2.593 6.733 1.00 0.00 O ATOM 1055 CB PHE A 946 1.310 4.543 4.361 1.00 0.00 C ATOM 1056 CG PHE A 946 2.191 4.731 5.562 1.00 0.00 C ATOM 1057 CD1 PHE A 946 3.273 3.894 5.782 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.938 5.745 6.472 1.00 0.00 C ATOM 1059 CE1 PHE A 946 4.086 4.064 6.886 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.748 5.921 7.578 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.823 5.079 7.786 1.00 0.00 C ATOM 0 H PHE A 946 -0.596 4.278 2.807 1.00 0.00 H new ATOM 0 HA PHE A 946 0.693 2.485 4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.930 4.280 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.824 5.490 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 946 3.483 3.099 5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 946 1.098 6.405 6.315 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.926 3.404 7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.541 6.716 8.279 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.457 5.214 8.650 1.00 0.00 H new ATOM 1071 N ASN A 947 -0.914 4.699 6.293 1.00 0.00 N ATOM 1072 CA ASN A 947 -1.502 4.907 7.612 1.00 0.00 C ATOM 1073 C ASN A 947 -2.268 3.670 8.068 1.00 0.00 C ATOM 1074 O ASN A 947 -2.093 3.198 9.191 1.00 0.00 O ATOM 1075 CB ASN A 947 -2.434 6.120 7.591 1.00 0.00 C ATOM 1076 CG ASN A 947 -1.690 7.418 7.347 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -0.516 7.548 7.695 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -2.371 8.387 6.746 1.00 0.00 N ATOM 0 H ASN A 947 -0.989 5.501 5.667 1.00 0.00 H new ATOM 0 HA ASN A 947 -0.693 5.091 8.319 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.185 5.984 6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -2.966 6.182 8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -1.922 9.283 6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -3.343 8.235 6.475 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.118 3.149 7.188 1.00 0.00 N ATOM 1086 CA GLU A 948 -3.911 1.966 7.501 1.00 0.00 C ATOM 1087 C GLU A 948 -3.011 0.773 7.808 1.00 0.00 C ATOM 1088 O GLU A 948 -3.264 0.015 8.745 1.00 0.00 O ATOM 1089 CB GLU A 948 -4.844 1.628 6.336 1.00 0.00 C ATOM 1090 CG GLU A 948 -5.966 2.634 6.143 1.00 0.00 C ATOM 1091 CD GLU A 948 -6.955 2.632 7.293 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -7.865 1.776 7.290 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -6.821 3.486 8.194 1.00 0.00 O ATOM 0 H GLU A 948 -3.275 3.527 6.254 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.509 2.185 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.259 1.569 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.277 0.641 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -5.540 3.632 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.493 2.412 5.215 1.00 0.00 H new ATOM 1100 N HIS A 949 -1.959 0.612 7.012 1.00 0.00 N ATOM 1101 CA HIS A 949 -1.020 -0.489 7.198 1.00 0.00 C ATOM 1102 C HIS A 949 -0.394 -0.440 8.589 1.00 0.00 C ATOM 1103 O HIS A 949 -0.449 -1.415 9.339 1.00 0.00 O ATOM 1104 CB HIS A 949 0.075 -0.440 6.131 1.00 0.00 C ATOM 1105 CG HIS A 949 1.209 -1.382 6.393 1.00 0.00 C ATOM 1106 ND1 HIS A 949 1.044 -2.746 6.504 1.00 0.00 N ATOM 1107 CD2 HIS A 949 2.531 -1.150 6.565 1.00 0.00 C ATOM 1108 CE1 HIS A 949 2.215 -3.312 6.735 1.00 0.00 C ATOM 1109 NE2 HIS A 949 3.134 -2.365 6.775 1.00 0.00 N ATOM 0 H HIS A 949 -1.735 1.230 6.232 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.571 -1.424 7.099 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.364 -0.674 5.161 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.465 0.576 6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 949 3.021 -0.188 6.541 1.00 0.00 H new ATOM 0 HE1 HIS A 949 2.391 -4.369 6.868 1.00 0.00 H new ATOM 0 HE2 HIS A 949 4.130 -2.512 6.936 1.00 0.00 H new ATOM 1117 N ILE A 950 0.200 0.700 8.925 1.00 0.00 N ATOM 1118 CA ILE A 950 0.836 0.875 10.225 1.00 0.00 C ATOM 1119 C ILE A 950 -0.112 0.490 11.356 1.00 0.00 C ATOM 1120 O ILE A 950 0.231 -0.321 12.216 1.00 0.00 O ATOM 1121 CB ILE A 950 1.302 2.328 10.432 1.00 0.00 C ATOM 1122 CG1 ILE A 950 2.234 2.755 9.297 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.995 2.475 11.778 1.00 0.00 C ATOM 1124 CD1 ILE A 950 3.535 1.983 9.261 1.00 0.00 C ATOM 0 H ILE A 950 0.254 1.516 8.315 1.00 0.00 H new ATOM 0 HA ILE A 950 1.705 0.218 10.243 1.00 0.00 H new ATOM 0 HB ILE A 950 0.428 2.979 10.422 1.00 0.00 H new ATOM 0 HG12 ILE A 950 1.718 2.626 8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 950 2.454 3.818 9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 950 2.319 3.507 11.910 1.00 0.00 H new ATOM 0 HG22 ILE A 950 1.302 2.208 12.575 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.862 1.815 11.815 1.00 0.00 H new ATOM 0 HD11 ILE A 950 4.146 2.338 8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 950 4.072 2.132 10.197 1.00 0.00 H new ATOM 0 HD13 ILE A 950 3.325 0.922 9.128 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.304 1.077 11.347 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.302 0.794 12.372 1.00 0.00 C ATOM 1138 C GLU A 951 -2.651 -0.692 12.396 1.00 0.00 C ATOM 1139 O GLU A 951 -2.754 -1.298 13.462 1.00 0.00 O ATOM 1140 CB GLU A 951 -3.565 1.622 12.129 1.00 0.00 C ATOM 1141 CG GLU A 951 -3.397 3.098 12.449 1.00 0.00 C ATOM 1142 CD GLU A 951 -4.660 3.898 12.196 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -5.702 3.568 12.800 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -4.605 4.854 11.394 1.00 0.00 O ATOM 0 H GLU A 951 -1.602 1.751 10.642 1.00 0.00 H new ATOM 0 HA GLU A 951 -1.879 1.066 13.339 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -3.863 1.517 11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -4.376 1.218 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -3.105 3.208 13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -2.586 3.506 11.846 1.00 0.00 H new ATOM 1151 N ALA A 952 -2.832 -1.270 11.214 1.00 0.00 N ATOM 1152 CA ALA A 952 -3.168 -2.684 11.098 1.00 0.00 C ATOM 1153 C ALA A 952 -2.137 -3.553 11.810 1.00 0.00 C ATOM 1154 O ALA A 952 -2.482 -4.555 12.438 1.00 0.00 O ATOM 1155 CB ALA A 952 -3.277 -3.083 9.634 1.00 0.00 C ATOM 0 H ALA A 952 -2.752 -0.781 10.322 1.00 0.00 H new ATOM 0 HA ALA A 952 -4.133 -2.843 11.579 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.528 -4.141 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -4.056 -2.492 9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -2.325 -2.902 9.136 1.00 0.00 H new ATOM 1161 N LEU A 953 -0.871 -3.164 11.708 1.00 0.00 N ATOM 1162 CA LEU A 953 0.211 -3.909 12.342 1.00 0.00 C ATOM 1163 C LEU A 953 0.107 -3.833 13.862 1.00 0.00 C ATOM 1164 O LEU A 953 -0.019 -4.855 14.539 1.00 0.00 O ATOM 1165 CB LEU A 953 1.566 -3.366 11.885 1.00 0.00 C ATOM 1166 CG LEU A 953 1.897 -3.548 10.403 1.00 0.00 C ATOM 1167 CD1 LEU A 953 3.043 -2.635 9.996 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.241 -5.001 10.108 1.00 0.00 C ATOM 0 H LEU A 953 -0.569 -2.337 11.193 1.00 0.00 H new ATOM 0 HA LEU A 953 0.124 -4.953 12.042 1.00 0.00 H new ATOM 0 HB2 LEU A 953 1.606 -2.302 12.117 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.346 -3.850 12.473 1.00 0.00 H new ATOM 0 HG LEU A 953 1.018 -3.277 9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.264 -2.778 8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.760 -1.597 10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 953 3.927 -2.875 10.587 1.00 0.00 H new ATOM 0 HD21 LEU A 953 2.474 -5.112 9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 953 3.105 -5.298 10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 953 1.391 -5.635 10.361 1.00 0.00 H new ATOM 1180 N THR A 954 0.158 -2.616 14.394 1.00 0.00 N ATOM 1181 CA THR A 954 0.069 -2.407 15.834 1.00 0.00 C ATOM 1182 C THR A 954 -1.071 -3.219 16.437 1.00 0.00 C ATOM 1183 O THR A 954 -0.882 -3.941 17.417 1.00 0.00 O ATOM 1184 CB THR A 954 -0.141 -0.919 16.173 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.138 -0.356 15.313 1.00 0.00 O ATOM 1186 CG2 THR A 954 1.159 -0.142 16.026 1.00 0.00 C ATOM 0 H THR A 954 0.261 -1.760 13.849 1.00 0.00 H new ATOM 0 HA THR A 954 1.015 -2.740 16.261 1.00 0.00 H new ATOM 0 HB THR A 954 -0.473 -0.849 17.209 1.00 0.00 H new ATOM 0 HG1 THR A 954 -1.684 -1.075 14.931 1.00 0.00 H new ATOM 0 HG21 THR A 954 0.986 0.906 16.270 1.00 0.00 H new ATOM 0 HG22 THR A 954 1.908 -0.554 16.703 1.00 0.00 H new ATOM 0 HG23 THR A 954 1.516 -0.221 14.999 1.00 0.00 H new