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 Single : A 901 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.012) USER MOD Single : A 902 ASN : amide:sc= -0.0515 K(o=-0.052,f=-0.83) USER MOD Single : A 904 LYS NZ :NH3+ -150:sc= -0.144 (180deg=-1.23) USER MOD Single : A 908 SER OG : rot 180:sc= 0 USER MOD Single : A 910 MET CE :methyl 136:sc= -2.62! (180deg=-7.07!) 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= -0.218 USER MOD Single : A 921 THR OG1 : rot 170:sc= 0.287 USER MOD Single : A 924 THR OG1 : rot 67:sc= 0.613 USER MOD Single : A 927 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 929 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 933 SER OG : rot -7:sc= 0.94 USER MOD Single : A 935 SER OG : rot 90:sc= 1.18 USER MOD Single : A 942 LYS NZ :NH3+ -116:sc= -1.4 (180deg=-1.48) USER MOD Single : A 944 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 ASN : amide:sc= 1.16 K(o=1.2,f=-0.15) USER MOD Single : A 949 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-7.7!) USER MOD Single : A 954 THR OG1 : rot 11:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -5.815 -0.388 -12.370 1.00 0.00 N ATOM 213 CA ARG A 896 -5.555 0.263 -11.092 1.00 0.00 C ATOM 214 C ARG A 896 -5.488 -0.762 -9.964 1.00 0.00 C ATOM 215 O ARG A 896 -4.581 -0.726 -9.133 1.00 0.00 O ATOM 216 CB ARG A 896 -6.642 1.297 -10.792 1.00 0.00 C ATOM 217 CG ARG A 896 -6.336 2.169 -9.585 1.00 0.00 C ATOM 218 CD ARG A 896 -7.096 3.485 -9.642 1.00 0.00 C ATOM 219 NE ARG A 896 -8.461 3.351 -9.140 1.00 0.00 N ATOM 220 CZ ARG A 896 -9.214 4.383 -8.775 1.00 0.00 C ATOM 221 NH1 ARG A 896 -8.738 5.618 -8.858 1.00 0.00 N ATOM 222 NH2 ARG A 896 -10.447 4.180 -8.328 1.00 0.00 N ATOM 0 HA ARG A 896 -4.591 0.768 -11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -6.776 1.935 -11.666 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -7.587 0.780 -10.626 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -6.600 1.635 -8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -5.265 2.368 -9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -6.566 4.235 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -7.122 3.844 -10.671 1.00 0.00 H new ATOM 0 HE ARG A 896 -8.858 2.414 -9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -7.791 5.778 -9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -9.318 6.408 -8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -10.817 3.232 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -11.025 4.972 -8.048 1.00 0.00 H new ATOM 236 N GLU A 897 -6.455 -1.675 -9.941 1.00 0.00 N ATOM 237 CA GLU A 897 -6.505 -2.708 -8.914 1.00 0.00 C ATOM 238 C GLU A 897 -5.106 -3.229 -8.597 1.00 0.00 C ATOM 239 O GLU A 897 -4.700 -3.278 -7.437 1.00 0.00 O ATOM 240 CB GLU A 897 -7.401 -3.864 -9.366 1.00 0.00 C ATOM 241 CG GLU A 897 -8.884 -3.599 -9.165 1.00 0.00 C ATOM 242 CD GLU A 897 -9.292 -3.643 -7.706 1.00 0.00 C ATOM 243 OE1 GLU A 897 -9.175 -2.602 -7.025 1.00 0.00 O ATOM 244 OE2 GLU A 897 -9.728 -4.718 -7.244 1.00 0.00 O ATOM 0 H GLU A 897 -7.213 -1.720 -10.622 1.00 0.00 H new ATOM 0 HA GLU A 897 -6.922 -2.265 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -7.216 -4.065 -10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -7.124 -4.764 -8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -9.134 -2.622 -9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -9.460 -4.338 -9.722 1.00 0.00 H new ATOM 251 N GLU A 898 -4.375 -3.616 -9.638 1.00 0.00 N ATOM 252 CA GLU A 898 -3.023 -4.134 -9.470 1.00 0.00 C ATOM 253 C GLU A 898 -2.186 -3.201 -8.599 1.00 0.00 C ATOM 254 O GLU A 898 -1.613 -3.620 -7.594 1.00 0.00 O ATOM 255 CB GLU A 898 -2.350 -4.318 -10.832 1.00 0.00 C ATOM 256 CG GLU A 898 -2.662 -5.652 -11.490 1.00 0.00 C ATOM 257 CD GLU A 898 -2.130 -5.742 -12.907 1.00 0.00 C ATOM 258 OE1 GLU A 898 -2.125 -4.706 -13.605 1.00 0.00 O ATOM 259 OE2 GLU A 898 -1.718 -6.847 -13.317 1.00 0.00 O ATOM 0 H GLU A 898 -4.696 -3.580 -10.605 1.00 0.00 H new ATOM 0 HA GLU A 898 -3.092 -5.102 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -2.665 -3.513 -11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -1.271 -4.226 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -2.233 -6.457 -10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -3.741 -5.804 -11.501 1.00 0.00 H new ATOM 266 N ALA A 899 -2.122 -1.933 -8.993 1.00 0.00 N ATOM 267 CA ALA A 899 -1.358 -0.939 -8.249 1.00 0.00 C ATOM 268 C ALA A 899 -1.744 -0.942 -6.774 1.00 0.00 C ATOM 269 O ALA A 899 -0.880 -0.939 -5.897 1.00 0.00 O ATOM 270 CB ALA A 899 -1.566 0.443 -8.849 1.00 0.00 C ATOM 0 H ALA A 899 -2.590 -1.570 -9.823 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.302 -1.199 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -0.990 1.176 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.234 0.443 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.624 0.703 -8.807 1.00 0.00 H new ATOM 276 N ILE A 900 -3.046 -0.947 -6.508 1.00 0.00 N ATOM 277 CA ILE A 900 -3.545 -0.950 -5.138 1.00 0.00 C ATOM 278 C ILE A 900 -2.947 -2.103 -4.338 1.00 0.00 C ATOM 279 O ILE A 900 -2.171 -1.887 -3.408 1.00 0.00 O ATOM 280 CB ILE A 900 -5.081 -1.055 -5.099 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.714 0.140 -5.814 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.570 -1.139 -3.661 1.00 0.00 C ATOM 283 CD1 ILE A 900 -7.197 -0.021 -6.064 1.00 0.00 C ATOM 0 H ILE A 900 -3.774 -0.949 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.242 -0.004 -4.689 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.381 -1.965 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.550 1.038 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -5.208 0.293 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.657 -1.213 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -5.142 -2.019 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -5.262 -0.245 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.578 0.864 -6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.368 -0.900 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.715 -0.143 -5.113 1.00 0.00 H new ATOM 295 N GLN A 901 -3.314 -3.325 -4.708 1.00 0.00 N ATOM 296 CA GLN A 901 -2.812 -4.512 -4.025 1.00 0.00 C ATOM 297 C GLN A 901 -1.292 -4.474 -3.913 1.00 0.00 C ATOM 298 O GLN A 901 -0.736 -4.619 -2.825 1.00 0.00 O ATOM 299 CB GLN A 901 -3.249 -5.776 -4.767 1.00 0.00 C ATOM 300 CG GLN A 901 -4.756 -5.899 -4.925 1.00 0.00 C ATOM 301 CD GLN A 901 -5.194 -7.311 -5.262 1.00 0.00 C ATOM 302 OE1 GLN A 901 -5.865 -7.541 -6.269 1.00 0.00 O ATOM 303 NE2 GLN A 901 -4.815 -8.266 -4.421 1.00 0.00 N ATOM 0 H GLN A 901 -3.956 -3.520 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 901 -3.232 -4.526 -3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -2.787 -5.786 -5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -2.876 -6.649 -4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -5.241 -5.583 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -5.092 -5.221 -5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -4.259 -8.030 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -5.079 -9.235 -4.597 1.00 0.00 H new ATOM 312 N ASN A 902 -0.624 -4.278 -5.045 1.00 0.00 N ATOM 313 CA ASN A 902 0.833 -4.221 -5.074 1.00 0.00 C ATOM 314 C ASN A 902 1.357 -3.186 -4.082 1.00 0.00 C ATOM 315 O ASN A 902 2.407 -3.375 -3.468 1.00 0.00 O ATOM 316 CB ASN A 902 1.324 -3.887 -6.484 1.00 0.00 C ATOM 317 CG ASN A 902 1.343 -5.101 -7.392 1.00 0.00 C ATOM 318 OD1 ASN A 902 1.699 -6.201 -6.969 1.00 0.00 O ATOM 319 ND2 ASN A 902 0.959 -4.906 -8.648 1.00 0.00 N ATOM 0 H ASN A 902 -1.069 -4.156 -5.955 1.00 0.00 H new ATOM 0 HA ASN A 902 1.215 -5.200 -4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.680 -3.122 -6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.327 -3.464 -6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 902 0.951 -5.686 -9.306 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.672 -3.977 -8.955 1.00 0.00 H new ATOM 326 N PHE A 903 0.617 -2.092 -3.932 1.00 0.00 N ATOM 327 CA PHE A 903 1.007 -1.027 -3.015 1.00 0.00 C ATOM 328 C PHE A 903 1.049 -1.535 -1.577 1.00 0.00 C ATOM 329 O PHE A 903 2.056 -1.389 -0.884 1.00 0.00 O ATOM 330 CB PHE A 903 0.035 0.150 -3.125 1.00 0.00 C ATOM 331 CG PHE A 903 0.584 1.434 -2.573 1.00 0.00 C ATOM 332 CD1 PHE A 903 1.747 1.983 -3.086 1.00 0.00 C ATOM 333 CD2 PHE A 903 -0.064 2.093 -1.540 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.255 3.165 -2.581 1.00 0.00 C ATOM 335 CE2 PHE A 903 0.438 3.275 -1.031 1.00 0.00 C ATOM 336 CZ PHE A 903 1.600 3.811 -1.551 1.00 0.00 C ATOM 0 H PHE A 903 -0.255 -1.920 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 903 2.006 -0.691 -3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 903 -0.228 0.297 -4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.886 -0.099 -2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 903 2.264 1.481 -3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.972 1.678 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 903 3.163 3.583 -2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 903 -0.078 3.780 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 903 1.996 4.734 -1.153 1.00 0.00 H new ATOM 346 N LYS A 904 -0.053 -2.131 -1.134 1.00 0.00 N ATOM 347 CA LYS A 904 -0.145 -2.661 0.221 1.00 0.00 C ATOM 348 C LYS A 904 1.019 -3.602 0.516 1.00 0.00 C ATOM 349 O LYS A 904 1.753 -3.410 1.486 1.00 0.00 O ATOM 350 CB LYS A 904 -1.472 -3.399 0.413 1.00 0.00 C ATOM 351 CG LYS A 904 -2.686 -2.488 0.369 1.00 0.00 C ATOM 352 CD LYS A 904 -3.915 -3.221 -0.142 1.00 0.00 C ATOM 353 CE LYS A 904 -5.132 -2.309 -0.182 1.00 0.00 C ATOM 354 NZ LYS A 904 -6.236 -2.892 -0.993 1.00 0.00 N ATOM 0 H LYS A 904 -0.896 -2.259 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 904 -0.098 -1.823 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.571 -4.160 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.453 -3.920 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -2.884 -2.096 1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -2.477 -1.633 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -3.718 -3.611 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -4.122 -4.078 0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -5.484 -2.128 0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -4.848 -1.342 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -6.794 -2.126 -1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -5.836 -3.490 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -6.849 -3.468 -0.381 1.00 0.00 H new ATOM 368 N ALA A 905 1.183 -4.617 -0.326 1.00 0.00 N ATOM 369 CA ALA A 905 2.260 -5.584 -0.156 1.00 0.00 C ATOM 370 C ALA A 905 3.609 -4.886 -0.020 1.00 0.00 C ATOM 371 O ALA A 905 4.414 -5.231 0.846 1.00 0.00 O ATOM 372 CB ALA A 905 2.284 -6.558 -1.325 1.00 0.00 C ATOM 0 H ALA A 905 0.584 -4.791 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 905 2.074 -6.140 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 905 3.093 -7.275 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.334 -7.089 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.442 -6.009 -2.253 1.00 0.00 H new ATOM 378 N LEU A 906 3.850 -3.902 -0.880 1.00 0.00 N ATOM 379 CA LEU A 906 5.103 -3.155 -0.856 1.00 0.00 C ATOM 380 C LEU A 906 5.273 -2.419 0.470 1.00 0.00 C ATOM 381 O LEU A 906 6.343 -2.453 1.078 1.00 0.00 O ATOM 382 CB LEU A 906 5.147 -2.158 -2.015 1.00 0.00 C ATOM 383 CG LEU A 906 6.234 -1.086 -1.937 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.604 -1.693 -2.200 1.00 0.00 C ATOM 385 CD2 LEU A 906 5.948 0.037 -2.923 1.00 0.00 C ATOM 0 H LEU A 906 3.195 -3.603 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 906 5.923 -3.865 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.280 -2.715 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 906 4.179 -1.661 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 906 6.232 -0.668 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.364 -0.914 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.811 -2.461 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.619 -2.140 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 906 6.732 0.791 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 906 5.921 -0.366 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 906 4.986 0.492 -2.688 1.00 0.00 H new ATOM 397 N LEU A 907 4.210 -1.757 0.913 1.00 0.00 N ATOM 398 CA LEU A 907 4.240 -1.014 2.168 1.00 0.00 C ATOM 399 C LEU A 907 4.678 -1.911 3.321 1.00 0.00 C ATOM 400 O LEU A 907 5.453 -1.497 4.183 1.00 0.00 O ATOM 401 CB LEU A 907 2.863 -0.419 2.464 1.00 0.00 C ATOM 402 CG LEU A 907 2.380 0.668 1.503 1.00 0.00 C ATOM 403 CD1 LEU A 907 0.879 0.872 1.638 1.00 0.00 C ATOM 404 CD2 LEU A 907 3.122 1.972 1.756 1.00 0.00 C ATOM 0 H LEU A 907 3.317 -1.719 0.422 1.00 0.00 H new ATOM 0 HA LEU A 907 4.964 -0.205 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 907 2.132 -1.228 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 907 2.878 -0.004 3.472 1.00 0.00 H new ATOM 0 HG LEU A 907 2.592 0.345 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.554 1.649 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.363 -0.060 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 907 0.643 1.173 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 907 2.765 2.734 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 907 2.942 2.300 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 907 4.191 1.817 1.607 1.00 0.00 H new ATOM 416 N SER A 908 4.178 -3.143 3.329 1.00 0.00 N ATOM 417 CA SER A 908 4.516 -4.099 4.377 1.00 0.00 C ATOM 418 C SER A 908 5.984 -4.504 4.289 1.00 0.00 C ATOM 419 O SER A 908 6.679 -4.584 5.302 1.00 0.00 O ATOM 420 CB SER A 908 3.626 -5.339 4.272 1.00 0.00 C ATOM 421 OG SER A 908 4.050 -6.348 5.172 1.00 0.00 O ATOM 0 H SER A 908 3.537 -3.502 2.621 1.00 0.00 H new ATOM 0 HA SER A 908 4.346 -3.619 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 908 2.592 -5.068 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 908 3.651 -5.723 3.252 1.00 0.00 H new ATOM 0 HG SER A 908 3.465 -7.129 5.087 1.00 0.00 H new ATOM 427 N ASP A 909 6.449 -4.759 3.071 1.00 0.00 N ATOM 428 CA ASP A 909 7.835 -5.156 2.849 1.00 0.00 C ATOM 429 C ASP A 909 8.792 -4.049 3.279 1.00 0.00 C ATOM 430 O ASP A 909 9.585 -4.225 4.204 1.00 0.00 O ATOM 431 CB ASP A 909 8.060 -5.498 1.375 1.00 0.00 C ATOM 432 CG ASP A 909 7.701 -6.935 1.053 1.00 0.00 C ATOM 433 OD1 ASP A 909 8.577 -7.812 1.204 1.00 0.00 O ATOM 434 OD2 ASP A 909 6.546 -7.183 0.649 1.00 0.00 O ATOM 0 H ASP A 909 5.887 -4.698 2.222 1.00 0.00 H new ATOM 0 HA ASP A 909 8.036 -6.040 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 909 7.463 -4.830 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 909 9.105 -5.322 1.119 1.00 0.00 H new ATOM 439 N MET A 910 8.714 -2.909 2.601 1.00 0.00 N ATOM 440 CA MET A 910 9.574 -1.773 2.913 1.00 0.00 C ATOM 441 C MET A 910 9.344 -1.295 4.344 1.00 0.00 C ATOM 442 O MET A 910 10.294 -1.043 5.084 1.00 0.00 O ATOM 443 CB MET A 910 9.318 -0.627 1.933 1.00 0.00 C ATOM 444 CG MET A 910 9.782 -0.924 0.516 1.00 0.00 C ATOM 445 SD MET A 910 11.578 -0.933 0.362 1.00 0.00 S ATOM 446 CE MET A 910 11.831 0.463 -0.732 1.00 0.00 C ATOM 0 H MET A 910 8.064 -2.747 1.832 1.00 0.00 H new ATOM 0 HA MET A 910 10.610 -2.097 2.818 1.00 0.00 H new ATOM 0 HB2 MET A 910 8.251 -0.404 1.918 1.00 0.00 H new ATOM 0 HB3 MET A 910 9.826 0.268 2.293 1.00 0.00 H new ATOM 0 HG2 MET A 910 9.390 -1.892 0.205 1.00 0.00 H new ATOM 0 HG3 MET A 910 9.367 -0.179 -0.162 1.00 0.00 H new ATOM 0 HE1 MET A 910 12.663 1.065 -0.367 1.00 0.00 H new ATOM 0 HE2 MET A 910 12.057 0.103 -1.736 1.00 0.00 H new ATOM 0 HE3 MET A 910 10.927 1.072 -0.760 1.00 0.00 H new ATOM 456 N VAL A 911 8.077 -1.172 4.726 1.00 0.00 N ATOM 457 CA VAL A 911 7.723 -0.724 6.067 1.00 0.00 C ATOM 458 C VAL A 911 7.181 -1.877 6.906 1.00 0.00 C ATOM 459 O VAL A 911 5.974 -2.112 6.950 1.00 0.00 O ATOM 460 CB VAL A 911 6.674 0.402 6.025 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.625 1.137 7.356 1.00 0.00 C ATOM 462 CG2 VAL A 911 6.972 1.365 4.885 1.00 0.00 C ATOM 0 H VAL A 911 7.278 -1.376 4.125 1.00 0.00 H new ATOM 0 HA VAL A 911 8.636 -0.342 6.524 1.00 0.00 H new ATOM 0 HB VAL A 911 5.695 -0.043 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 911 5.878 1.929 7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 911 6.360 0.437 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.602 1.572 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 911 6.221 2.155 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 911 7.959 1.805 5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 911 6.950 0.826 3.938 1.00 0.00 H new ATOM 472 N ARG A 912 8.083 -2.592 7.571 1.00 0.00 N ATOM 473 CA ARG A 912 7.696 -3.721 8.408 1.00 0.00 C ATOM 474 C ARG A 912 7.360 -3.259 9.823 1.00 0.00 C ATOM 475 O ARG A 912 6.839 -4.028 10.631 1.00 0.00 O ATOM 476 CB ARG A 912 8.819 -4.759 8.452 1.00 0.00 C ATOM 477 CG ARG A 912 10.108 -4.236 9.065 1.00 0.00 C ATOM 478 CD ARG A 912 11.171 -5.321 9.136 1.00 0.00 C ATOM 479 NE ARG A 912 12.433 -4.817 9.671 1.00 0.00 N ATOM 480 CZ ARG A 912 13.350 -4.201 8.933 1.00 0.00 C ATOM 481 NH1 ARG A 912 13.147 -4.015 7.636 1.00 0.00 N ATOM 482 NH2 ARG A 912 14.473 -3.770 9.493 1.00 0.00 N ATOM 0 H ARG A 912 9.086 -2.409 7.546 1.00 0.00 H new ATOM 0 HA ARG A 912 6.807 -4.176 7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 912 8.480 -5.624 9.022 1.00 0.00 H new ATOM 0 HB3 ARG A 912 9.023 -5.105 7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 912 10.480 -3.399 8.474 1.00 0.00 H new ATOM 0 HG3 ARG A 912 9.908 -3.855 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 912 10.813 -6.139 9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 912 11.338 -5.731 8.140 1.00 0.00 H new ATOM 0 HE ARG A 912 12.621 -4.945 10.665 1.00 0.00 H new ATOM 0 HH11 ARG A 912 12.285 -4.345 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 912 13.853 -3.542 7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 912 14.633 -3.912 10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 912 15.177 -3.297 8.926 1.00 0.00 H new ATOM 496 N SER A 913 7.662 -1.998 10.115 1.00 0.00 N ATOM 497 CA SER A 913 7.396 -1.434 11.433 1.00 0.00 C ATOM 498 C SER A 913 6.106 -0.621 11.426 1.00 0.00 C ATOM 499 O SER A 913 5.404 -0.557 10.416 1.00 0.00 O ATOM 500 CB SER A 913 8.565 -0.554 11.880 1.00 0.00 C ATOM 501 OG SER A 913 9.645 -1.341 12.353 1.00 0.00 O ATOM 0 H SER A 913 8.091 -1.348 9.457 1.00 0.00 H new ATOM 0 HA SER A 913 7.281 -2.258 12.137 1.00 0.00 H new ATOM 0 HB2 SER A 913 8.899 0.063 11.046 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.234 0.124 12.666 1.00 0.00 H new ATOM 0 HG SER A 913 10.380 -0.755 12.631 1.00 0.00 H new ATOM 507 N SER A 914 5.799 0.000 12.561 1.00 0.00 N ATOM 508 CA SER A 914 4.591 0.807 12.688 1.00 0.00 C ATOM 509 C SER A 914 4.922 2.203 13.207 1.00 0.00 C ATOM 510 O SER A 914 4.245 3.177 12.877 1.00 0.00 O ATOM 511 CB SER A 914 3.593 0.126 13.625 1.00 0.00 C ATOM 512 OG SER A 914 4.161 -0.088 14.906 1.00 0.00 O ATOM 0 H SER A 914 6.370 -0.040 13.405 1.00 0.00 H new ATOM 0 HA SER A 914 4.143 0.903 11.699 1.00 0.00 H new ATOM 0 HB2 SER A 914 2.699 0.742 13.719 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.281 -0.827 13.198 1.00 0.00 H new ATOM 0 HG SER A 914 3.503 -0.523 15.487 1.00 0.00 H new ATOM 518 N ASP A 915 5.968 2.292 14.020 1.00 0.00 N ATOM 519 CA ASP A 915 6.392 3.568 14.585 1.00 0.00 C ATOM 520 C ASP A 915 7.240 4.349 13.587 1.00 0.00 C ATOM 521 O ASP A 915 8.283 4.900 13.940 1.00 0.00 O ATOM 522 CB ASP A 915 7.180 3.342 15.876 1.00 0.00 C ATOM 523 CG ASP A 915 6.498 2.358 16.807 1.00 0.00 C ATOM 524 OD1 ASP A 915 5.253 2.259 16.757 1.00 0.00 O ATOM 525 OD2 ASP A 915 7.207 1.687 17.584 1.00 0.00 O ATOM 0 H ASP A 915 6.539 1.495 14.303 1.00 0.00 H new ATOM 0 HA ASP A 915 5.500 4.152 14.811 1.00 0.00 H new ATOM 0 HB2 ASP A 915 8.176 2.974 15.630 1.00 0.00 H new ATOM 0 HB3 ASP A 915 7.310 4.294 16.390 1.00 0.00 H new ATOM 530 N VAL A 916 6.785 4.394 12.339 1.00 0.00 N ATOM 531 CA VAL A 916 7.502 5.108 11.289 1.00 0.00 C ATOM 532 C VAL A 916 6.832 6.440 10.974 1.00 0.00 C ATOM 533 O VAL A 916 5.860 6.827 11.624 1.00 0.00 O ATOM 534 CB VAL A 916 7.587 4.271 9.998 1.00 0.00 C ATOM 535 CG1 VAL A 916 8.409 3.013 10.231 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.194 3.923 9.497 1.00 0.00 C ATOM 0 H VAL A 916 5.923 3.944 12.030 1.00 0.00 H new ATOM 0 HA VAL A 916 8.510 5.291 11.662 1.00 0.00 H new ATOM 0 HB VAL A 916 8.086 4.865 9.232 1.00 0.00 H new ATOM 0 HG11 VAL A 916 8.458 2.434 9.309 1.00 0.00 H new ATOM 0 HG12 VAL A 916 9.417 3.289 10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 916 7.942 2.412 11.011 1.00 0.00 H new ATOM 0 HG21 VAL A 916 6.273 3.332 8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 916 5.667 3.348 10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 916 5.643 4.840 9.289 1.00 0.00 H new ATOM 546 N SER A 917 7.357 7.139 9.973 1.00 0.00 N ATOM 547 CA SER A 917 6.811 8.431 9.573 1.00 0.00 C ATOM 548 C SER A 917 6.457 8.436 8.089 1.00 0.00 C ATOM 549 O SER A 917 7.238 7.982 7.253 1.00 0.00 O ATOM 550 CB SER A 917 7.814 9.547 9.874 1.00 0.00 C ATOM 551 OG SER A 917 7.789 9.898 11.247 1.00 0.00 O ATOM 0 H SER A 917 8.160 6.832 9.424 1.00 0.00 H new ATOM 0 HA SER A 917 5.900 8.606 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 917 8.817 9.223 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 917 7.582 10.422 9.267 1.00 0.00 H new ATOM 0 HG SER A 917 8.440 10.612 11.414 1.00 0.00 H new ATOM 557 N TRP A 918 5.276 8.952 7.771 1.00 0.00 N ATOM 558 CA TRP A 918 4.818 9.017 6.388 1.00 0.00 C ATOM 559 C TRP A 918 5.942 9.469 5.463 1.00 0.00 C ATOM 560 O TRP A 918 6.256 8.799 4.479 1.00 0.00 O ATOM 561 CB TRP A 918 3.627 9.969 6.268 1.00 0.00 C ATOM 562 CG TRP A 918 3.347 10.395 4.858 1.00 0.00 C ATOM 563 CD1 TRP A 918 3.115 11.666 4.417 1.00 0.00 C ATOM 564 CD2 TRP A 918 3.267 9.548 3.707 1.00 0.00 C ATOM 565 NE1 TRP A 918 2.896 11.660 3.060 1.00 0.00 N ATOM 566 CE2 TRP A 918 2.985 10.373 2.601 1.00 0.00 C ATOM 567 CE3 TRP A 918 3.409 8.172 3.502 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.841 9.867 1.312 1.00 0.00 C ATOM 569 CZ3 TRP A 918 3.266 7.671 2.222 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.985 8.517 1.140 1.00 0.00 C ATOM 0 H TRP A 918 4.618 9.332 8.452 1.00 0.00 H new ATOM 0 HA TRP A 918 4.506 8.017 6.087 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.740 9.484 6.676 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.815 10.853 6.877 1.00 0.00 H new ATOM 0 HD1 TRP A 918 3.105 12.547 5.042 1.00 0.00 H new ATOM 0 HE1 TRP A 918 2.699 12.481 2.488 1.00 0.00 H new ATOM 0 HE3 TRP A 918 3.627 7.513 4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.623 10.517 0.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 3.373 6.610 2.052 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.880 8.095 0.151 1.00 0.00 H new ATOM 581 N SER A 919 6.544 10.610 5.784 1.00 0.00 N ATOM 582 CA SER A 919 7.631 11.153 4.978 1.00 0.00 C ATOM 583 C SER A 919 8.700 10.095 4.724 1.00 0.00 C ATOM 584 O SER A 919 8.993 9.755 3.577 1.00 0.00 O ATOM 585 CB SER A 919 8.253 12.365 5.674 1.00 0.00 C ATOM 586 OG SER A 919 8.758 12.017 6.952 1.00 0.00 O ATOM 0 H SER A 919 6.297 11.176 6.596 1.00 0.00 H new ATOM 0 HA SER A 919 7.218 11.465 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 919 9.058 12.768 5.059 1.00 0.00 H new ATOM 0 HB3 SER A 919 7.506 13.152 5.777 1.00 0.00 H new ATOM 0 HG SER A 919 9.152 12.809 7.375 1.00 0.00 H new ATOM 592 N ASP A 920 9.280 9.577 5.802 1.00 0.00 N ATOM 593 CA ASP A 920 10.316 8.556 5.697 1.00 0.00 C ATOM 594 C ASP A 920 9.937 7.502 4.661 1.00 0.00 C ATOM 595 O ASP A 920 10.699 7.224 3.735 1.00 0.00 O ATOM 596 CB ASP A 920 10.548 7.894 7.056 1.00 0.00 C ATOM 597 CG ASP A 920 11.916 7.249 7.159 1.00 0.00 C ATOM 598 OD1 ASP A 920 12.904 7.880 6.726 1.00 0.00 O ATOM 599 OD2 ASP A 920 12.000 6.115 7.674 1.00 0.00 O ATOM 0 H ASP A 920 9.050 9.848 6.758 1.00 0.00 H new ATOM 0 HA ASP A 920 11.238 9.040 5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 920 10.441 8.640 7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 920 9.780 7.139 7.225 1.00 0.00 H new ATOM 604 N THR A 921 8.755 6.916 4.826 1.00 0.00 N ATOM 605 CA THR A 921 8.276 5.891 3.907 1.00 0.00 C ATOM 606 C THR A 921 8.339 6.373 2.463 1.00 0.00 C ATOM 607 O THR A 921 9.071 5.817 1.644 1.00 0.00 O ATOM 608 CB THR A 921 6.830 5.475 4.235 1.00 0.00 C ATOM 609 OG1 THR A 921 6.773 4.885 5.539 1.00 0.00 O ATOM 610 CG2 THR A 921 6.304 4.488 3.203 1.00 0.00 C ATOM 0 H THR A 921 8.112 7.134 5.587 1.00 0.00 H new ATOM 0 HA THR A 921 8.931 5.028 4.027 1.00 0.00 H new ATOM 0 HB THR A 921 6.205 6.368 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 921 5.837 4.777 5.809 1.00 0.00 H new ATOM 0 HG21 THR A 921 5.281 4.208 3.455 1.00 0.00 H new ATOM 0 HG22 THR A 921 6.321 4.950 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 921 6.933 3.598 3.198 1.00 0.00 H new ATOM 618 N ARG A 922 7.568 7.412 2.157 1.00 0.00 N ATOM 619 CA ARG A 922 7.537 7.969 0.810 1.00 0.00 C ATOM 620 C ARG A 922 8.934 7.993 0.198 1.00 0.00 C ATOM 621 O ARG A 922 9.134 7.556 -0.935 1.00 0.00 O ATOM 622 CB ARG A 922 6.955 9.384 0.834 1.00 0.00 C ATOM 623 CG ARG A 922 6.444 9.856 -0.518 1.00 0.00 C ATOM 624 CD ARG A 922 5.458 11.004 -0.371 1.00 0.00 C ATOM 625 NE ARG A 922 4.473 11.021 -1.449 1.00 0.00 N ATOM 626 CZ ARG A 922 4.766 11.330 -2.707 1.00 0.00 C ATOM 627 NH1 ARG A 922 6.009 11.646 -3.044 1.00 0.00 N ATOM 628 NH2 ARG A 922 3.814 11.323 -3.632 1.00 0.00 N ATOM 0 H ARG A 922 6.957 7.884 2.823 1.00 0.00 H new ATOM 0 HA ARG A 922 6.901 7.332 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 922 6.138 9.419 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 922 7.720 10.076 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 922 7.284 10.174 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 922 5.963 9.026 -1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 922 4.945 10.921 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 922 6.001 11.949 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 922 3.507 10.783 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 922 6.743 11.652 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 922 6.231 11.883 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 922 2.857 11.080 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 922 4.040 11.560 -4.598 1.00 0.00 H new ATOM 642 N ARG A 923 9.898 8.506 0.956 1.00 0.00 N ATOM 643 CA ARG A 923 11.276 8.588 0.488 1.00 0.00 C ATOM 644 C ARG A 923 11.842 7.197 0.217 1.00 0.00 C ATOM 645 O ARG A 923 12.648 7.009 -0.695 1.00 0.00 O ATOM 646 CB ARG A 923 12.145 9.312 1.519 1.00 0.00 C ATOM 647 CG ARG A 923 13.454 9.835 0.952 1.00 0.00 C ATOM 648 CD ARG A 923 14.538 9.894 2.016 1.00 0.00 C ATOM 649 NE ARG A 923 15.878 9.861 1.436 1.00 0.00 N ATOM 650 CZ ARG A 923 16.970 9.552 2.126 1.00 0.00 C ATOM 651 NH1 ARG A 923 16.882 9.250 3.414 1.00 0.00 N ATOM 652 NH2 ARG A 923 18.154 9.543 1.527 1.00 0.00 N ATOM 0 H ARG A 923 9.750 8.871 1.897 1.00 0.00 H new ATOM 0 HA ARG A 923 11.284 9.153 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 923 11.580 10.146 1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 923 12.362 8.631 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 923 13.780 9.192 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 923 13.299 10.829 0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 923 14.420 10.805 2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 923 14.419 9.055 2.701 1.00 0.00 H new ATOM 0 HE ARG A 923 15.981 10.088 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 923 15.974 9.254 3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 923 17.723 9.013 3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 923 18.226 9.774 0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 923 18.992 9.306 2.058 1.00 0.00 H new ATOM 666 N THR A 924 11.415 6.224 1.016 1.00 0.00 N ATOM 667 CA THR A 924 11.880 4.851 0.864 1.00 0.00 C ATOM 668 C THR A 924 11.295 4.208 -0.388 1.00 0.00 C ATOM 669 O THR A 924 12.012 3.583 -1.170 1.00 0.00 O ATOM 670 CB THR A 924 11.509 3.993 2.089 1.00 0.00 C ATOM 671 OG1 THR A 924 11.993 4.613 3.286 1.00 0.00 O ATOM 672 CG2 THR A 924 12.091 2.594 1.966 1.00 0.00 C ATOM 0 H THR A 924 10.748 6.362 1.775 1.00 0.00 H new ATOM 0 HA THR A 924 12.965 4.893 0.774 1.00 0.00 H new ATOM 0 HB THR A 924 10.423 3.915 2.134 1.00 0.00 H new ATOM 0 HG1 THR A 924 11.514 5.455 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 924 11.816 2.007 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 924 11.698 2.114 1.070 1.00 0.00 H new ATOM 0 HG23 THR A 924 13.177 2.656 1.898 1.00 0.00 H new ATOM 680 N LEU A 925 9.989 4.365 -0.573 1.00 0.00 N ATOM 681 CA LEU A 925 9.307 3.800 -1.732 1.00 0.00 C ATOM 682 C LEU A 925 9.752 4.491 -3.016 1.00 0.00 C ATOM 683 O LEU A 925 10.099 3.835 -3.998 1.00 0.00 O ATOM 684 CB LEU A 925 7.791 3.929 -1.569 1.00 0.00 C ATOM 685 CG LEU A 925 7.227 3.539 -0.203 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.715 3.698 -0.184 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.620 2.111 0.149 1.00 0.00 C ATOM 0 H LEU A 925 9.381 4.879 0.065 1.00 0.00 H new ATOM 0 HA LEU A 925 9.571 2.745 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.510 4.962 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.310 3.312 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 925 7.651 4.206 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 925 5.332 3.416 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.456 4.737 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 925 5.272 3.056 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 925 7.210 1.851 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 925 7.226 1.429 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.707 2.029 0.179 1.00 0.00 H new ATOM 699 N ARG A 926 9.742 5.820 -3.001 1.00 0.00 N ATOM 700 CA ARG A 926 10.146 6.601 -4.165 1.00 0.00 C ATOM 701 C ARG A 926 11.270 5.902 -4.924 1.00 0.00 C ATOM 702 O ARG A 926 11.146 5.620 -6.117 1.00 0.00 O ATOM 703 CB ARG A 926 10.598 7.998 -3.736 1.00 0.00 C ATOM 704 CG ARG A 926 9.467 9.011 -3.673 1.00 0.00 C ATOM 705 CD ARG A 926 9.996 10.428 -3.517 1.00 0.00 C ATOM 706 NE ARG A 926 10.257 11.061 -4.807 1.00 0.00 N ATOM 707 CZ ARG A 926 10.690 12.309 -4.939 1.00 0.00 C ATOM 708 NH1 ARG A 926 10.909 13.056 -3.865 1.00 0.00 N ATOM 709 NH2 ARG A 926 10.905 12.814 -6.148 1.00 0.00 N ATOM 0 H ARG A 926 9.459 6.379 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 926 9.285 6.692 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 926 11.071 7.933 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 926 11.356 8.355 -4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 926 8.866 8.944 -4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 926 8.810 8.773 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 926 9.274 11.025 -2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 926 10.914 10.409 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 926 10.098 10.514 -5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 926 10.745 12.672 -2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 926 11.242 14.015 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 926 10.737 12.243 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 926 11.238 13.773 -6.248 1.00 0.00 H new ATOM 723 N LYS A 927 12.366 5.626 -4.227 1.00 0.00 N ATOM 724 CA LYS A 927 13.513 4.960 -4.834 1.00 0.00 C ATOM 725 C LYS A 927 13.130 3.573 -5.341 1.00 0.00 C ATOM 726 O LYS A 927 13.572 3.149 -6.409 1.00 0.00 O ATOM 727 CB LYS A 927 14.657 4.848 -3.824 1.00 0.00 C ATOM 728 CG LYS A 927 15.212 6.190 -3.382 1.00 0.00 C ATOM 729 CD LYS A 927 16.217 6.735 -4.384 1.00 0.00 C ATOM 730 CE LYS A 927 17.600 6.139 -4.166 1.00 0.00 C ATOM 731 NZ LYS A 927 18.355 6.863 -3.106 1.00 0.00 N ATOM 0 H LYS A 927 12.485 5.853 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 927 13.843 5.560 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 927 14.305 4.304 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 927 15.462 4.258 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 927 14.395 6.901 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 927 15.689 6.085 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 927 15.880 6.514 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 927 16.269 7.820 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 927 17.504 5.089 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 927 18.162 6.173 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 19.292 6.427 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 18.469 7.860 -3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 17.832 6.809 -2.209 1.00 0.00 H new ATOM 745 N ASP A 928 12.306 2.873 -4.569 1.00 0.00 N ATOM 746 CA ASP A 928 11.862 1.534 -4.942 1.00 0.00 C ATOM 747 C ASP A 928 11.461 1.485 -6.413 1.00 0.00 C ATOM 748 O ASP A 928 11.196 2.517 -7.030 1.00 0.00 O ATOM 749 CB ASP A 928 10.687 1.101 -4.065 1.00 0.00 C ATOM 750 CG ASP A 928 10.443 -0.394 -4.121 1.00 0.00 C ATOM 751 OD1 ASP A 928 11.361 -1.159 -3.759 1.00 0.00 O ATOM 752 OD2 ASP A 928 9.333 -0.799 -4.526 1.00 0.00 O ATOM 0 H ASP A 928 11.932 3.210 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 928 12.693 0.846 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 928 10.879 1.396 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 928 9.786 1.625 -4.384 1.00 0.00 H new ATOM 757 N HIS A 929 11.419 0.279 -6.970 1.00 0.00 N ATOM 758 CA HIS A 929 11.050 0.095 -8.369 1.00 0.00 C ATOM 759 C HIS A 929 9.536 -0.003 -8.523 1.00 0.00 C ATOM 760 O HIS A 929 8.928 0.758 -9.276 1.00 0.00 O ATOM 761 CB HIS A 929 11.715 -1.162 -8.932 1.00 0.00 C ATOM 762 CG HIS A 929 13.178 -0.995 -9.205 1.00 0.00 C ATOM 763 ND1 HIS A 929 13.681 -0.017 -10.037 1.00 0.00 N ATOM 764 CD2 HIS A 929 14.248 -1.688 -8.750 1.00 0.00 C ATOM 765 CE1 HIS A 929 14.998 -0.117 -10.083 1.00 0.00 C ATOM 766 NE2 HIS A 929 15.367 -1.122 -9.310 1.00 0.00 N ATOM 0 H HIS A 929 11.636 -0.585 -6.474 1.00 0.00 H new ATOM 0 HA HIS A 929 11.398 0.963 -8.929 1.00 0.00 H new ATOM 0 HB2 HIS A 929 11.577 -1.983 -8.228 1.00 0.00 H new ATOM 0 HB3 HIS A 929 11.212 -1.446 -9.856 1.00 0.00 H new ATOM 0 HD2 HIS A 929 14.226 -2.529 -8.073 1.00 0.00 H new ATOM 0 HE1 HIS A 929 15.660 0.516 -10.656 1.00 0.00 H new ATOM 0 HE2 HIS A 929 16.327 -1.428 -9.154 1.00 0.00 H new ATOM 774 N ARG A 930 8.933 -0.946 -7.806 1.00 0.00 N ATOM 775 CA ARG A 930 7.489 -1.145 -7.865 1.00 0.00 C ATOM 776 C ARG A 930 6.751 0.183 -7.718 1.00 0.00 C ATOM 777 O ARG A 930 5.682 0.377 -8.296 1.00 0.00 O ATOM 778 CB ARG A 930 7.041 -2.113 -6.769 1.00 0.00 C ATOM 779 CG ARG A 930 7.465 -3.552 -7.017 1.00 0.00 C ATOM 780 CD ARG A 930 8.827 -3.844 -6.407 1.00 0.00 C ATOM 781 NE ARG A 930 9.074 -5.278 -6.280 1.00 0.00 N ATOM 782 CZ ARG A 930 10.242 -5.793 -5.911 1.00 0.00 C ATOM 783 NH1 ARG A 930 11.264 -4.995 -5.634 1.00 0.00 N ATOM 784 NH2 ARG A 930 10.388 -7.108 -5.819 1.00 0.00 N ATOM 0 H ARG A 930 9.421 -1.584 -7.178 1.00 0.00 H new ATOM 0 HA ARG A 930 7.246 -1.571 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 930 7.450 -1.782 -5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 930 5.955 -2.073 -6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 930 6.723 -4.229 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 930 7.497 -3.743 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 930 9.605 -3.396 -7.025 1.00 0.00 H new ATOM 0 HD3 ARG A 930 8.892 -3.377 -5.424 1.00 0.00 H new ATOM 0 HE ARG A 930 8.308 -5.919 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 930 11.155 -3.983 -5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 930 12.160 -5.393 -5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 930 9.604 -7.724 -6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 930 11.285 -7.503 -5.536 1.00 0.00 H new ATOM 798 N TRP A 931 7.330 1.092 -6.942 1.00 0.00 N ATOM 799 CA TRP A 931 6.726 2.401 -6.720 1.00 0.00 C ATOM 800 C TRP A 931 6.210 2.992 -8.027 1.00 0.00 C ATOM 801 O TRP A 931 5.231 3.738 -8.036 1.00 0.00 O ATOM 802 CB TRP A 931 7.741 3.352 -6.082 1.00 0.00 C ATOM 803 CG TRP A 931 7.364 4.796 -6.209 1.00 0.00 C ATOM 804 CD1 TRP A 931 7.647 5.629 -7.254 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.635 5.579 -5.257 1.00 0.00 C ATOM 806 NE1 TRP A 931 7.139 6.882 -7.008 1.00 0.00 N ATOM 807 CE2 TRP A 931 6.512 6.876 -5.790 1.00 0.00 C ATOM 808 CE3 TRP A 931 6.072 5.309 -4.006 1.00 0.00 C ATOM 809 CZ2 TRP A 931 5.851 7.899 -5.115 1.00 0.00 C ATOM 810 CZ3 TRP A 931 5.417 6.325 -3.337 1.00 0.00 C ATOM 811 CH2 TRP A 931 5.310 7.607 -3.893 1.00 0.00 C ATOM 0 H TRP A 931 8.215 0.947 -6.457 1.00 0.00 H new ATOM 0 HA TRP A 931 5.882 2.273 -6.043 1.00 0.00 H new ATOM 0 HB2 TRP A 931 7.847 3.103 -5.026 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.715 3.196 -6.546 1.00 0.00 H new ATOM 0 HD1 TRP A 931 8.190 5.345 -8.143 1.00 0.00 H new ATOM 0 HE1 TRP A 931 7.216 7.686 -7.631 1.00 0.00 H new ATOM 0 HE3 TRP A 931 6.148 4.324 -3.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 5.768 8.888 -5.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 4.980 6.128 -2.369 1.00 0.00 H new ATOM 0 HH2 TRP A 931 4.790 8.380 -3.346 1.00 0.00 H new ATOM 822 N GLU A 932 6.873 2.653 -9.128 1.00 0.00 N ATOM 823 CA GLU A 932 6.479 3.152 -10.440 1.00 0.00 C ATOM 824 C GLU A 932 4.988 2.930 -10.681 1.00 0.00 C ATOM 825 O GLU A 932 4.249 3.871 -10.972 1.00 0.00 O ATOM 826 CB GLU A 932 7.293 2.463 -11.537 1.00 0.00 C ATOM 827 CG GLU A 932 7.513 3.329 -12.766 1.00 0.00 C ATOM 828 CD GLU A 932 8.156 2.568 -13.909 1.00 0.00 C ATOM 829 OE1 GLU A 932 7.476 1.708 -14.507 1.00 0.00 O ATOM 830 OE2 GLU A 932 9.340 2.832 -14.205 1.00 0.00 O ATOM 0 H GLU A 932 7.685 2.035 -9.137 1.00 0.00 H new ATOM 0 HA GLU A 932 6.678 4.223 -10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 932 8.261 2.171 -11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 932 6.783 1.547 -11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 932 6.556 3.734 -13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 932 8.143 4.178 -12.500 1.00 0.00 H new ATOM 837 N SER A 933 4.555 1.680 -10.559 1.00 0.00 N ATOM 838 CA SER A 933 3.154 1.333 -10.768 1.00 0.00 C ATOM 839 C SER A 933 2.255 2.098 -9.801 1.00 0.00 C ATOM 840 O SER A 933 1.180 2.566 -10.175 1.00 0.00 O ATOM 841 CB SER A 933 2.948 -0.173 -10.590 1.00 0.00 C ATOM 842 OG SER A 933 3.549 -0.632 -9.392 1.00 0.00 O ATOM 0 H SER A 933 5.154 0.891 -10.317 1.00 0.00 H new ATOM 0 HA SER A 933 2.884 1.612 -11.786 1.00 0.00 H new ATOM 0 HB2 SER A 933 1.882 -0.398 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 933 3.374 -0.705 -11.441 1.00 0.00 H new ATOM 0 HG SER A 933 4.069 0.094 -8.988 1.00 0.00 H new ATOM 848 N GLY A 934 2.704 2.220 -8.556 1.00 0.00 N ATOM 849 CA GLY A 934 1.928 2.929 -7.554 1.00 0.00 C ATOM 850 C GLY A 934 1.544 4.326 -8.000 1.00 0.00 C ATOM 851 O GLY A 934 0.681 4.962 -7.396 1.00 0.00 O ATOM 0 H GLY A 934 3.590 1.841 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.025 2.361 -7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.503 2.991 -6.630 1.00 0.00 H new ATOM 855 N SER A 935 2.187 4.805 -9.060 1.00 0.00 N ATOM 856 CA SER A 935 1.912 6.138 -9.583 1.00 0.00 C ATOM 857 C SER A 935 0.412 6.354 -9.756 1.00 0.00 C ATOM 858 O SER A 935 -0.130 7.385 -9.353 1.00 0.00 O ATOM 859 CB SER A 935 2.626 6.342 -10.920 1.00 0.00 C ATOM 860 OG SER A 935 4.020 6.515 -10.733 1.00 0.00 O ATOM 0 H SER A 935 2.902 4.290 -9.573 1.00 0.00 H new ATOM 0 HA SER A 935 2.286 6.868 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.447 5.483 -11.566 1.00 0.00 H new ATOM 0 HB3 SER A 935 2.213 7.214 -11.427 1.00 0.00 H new ATOM 0 HG SER A 935 4.465 5.643 -10.765 1.00 0.00 H new ATOM 866 N LEU A 936 -0.255 5.376 -10.359 1.00 0.00 N ATOM 867 CA LEU A 936 -1.693 5.458 -10.587 1.00 0.00 C ATOM 868 C LEU A 936 -2.397 6.107 -9.400 1.00 0.00 C ATOM 869 O LEU A 936 -3.159 7.061 -9.561 1.00 0.00 O ATOM 870 CB LEU A 936 -2.270 4.063 -10.836 1.00 0.00 C ATOM 871 CG LEU A 936 -1.944 3.434 -12.191 1.00 0.00 C ATOM 872 CD1 LEU A 936 -2.163 1.929 -12.148 1.00 0.00 C ATOM 873 CD2 LEU A 936 -2.786 4.066 -13.289 1.00 0.00 C ATOM 0 H LEU A 936 0.177 4.517 -10.699 1.00 0.00 H new ATOM 0 HA LEU A 936 -1.861 6.077 -11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.909 3.397 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.354 4.116 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 936 -0.893 3.621 -12.413 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -1.926 1.499 -13.121 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.516 1.489 -11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -3.204 1.720 -11.903 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -2.540 3.606 -14.246 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -3.843 3.911 -13.072 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -2.579 5.135 -13.337 1.00 0.00 H new ATOM 885 N LEU A 937 -2.136 5.585 -8.206 1.00 0.00 N ATOM 886 CA LEU A 937 -2.742 6.115 -6.990 1.00 0.00 C ATOM 887 C LEU A 937 -2.462 7.607 -6.848 1.00 0.00 C ATOM 888 O LEU A 937 -1.759 8.197 -7.668 1.00 0.00 O ATOM 889 CB LEU A 937 -2.213 5.366 -5.765 1.00 0.00 C ATOM 890 CG LEU A 937 -2.291 3.840 -5.826 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.451 3.219 -4.721 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.737 3.376 -5.724 1.00 0.00 C ATOM 0 H LEU A 937 -1.509 4.795 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.820 5.972 -7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -1.172 5.651 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -2.768 5.704 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.892 3.512 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.518 2.133 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.411 3.525 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -1.820 3.554 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.774 2.288 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.162 3.715 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.312 3.793 -6.551 1.00 0.00 H new ATOM 904 N GLU A 938 -3.016 8.211 -5.801 1.00 0.00 N ATOM 905 CA GLU A 938 -2.824 9.635 -5.551 1.00 0.00 C ATOM 906 C GLU A 938 -2.466 9.888 -4.089 1.00 0.00 C ATOM 907 O GLU A 938 -2.790 9.086 -3.213 1.00 0.00 O ATOM 908 CB GLU A 938 -4.087 10.415 -5.921 1.00 0.00 C ATOM 909 CG GLU A 938 -5.236 10.209 -4.947 1.00 0.00 C ATOM 910 CD GLU A 938 -6.485 10.969 -5.350 1.00 0.00 C ATOM 911 OE1 GLU A 938 -6.680 11.186 -6.565 1.00 0.00 O ATOM 912 OE2 GLU A 938 -7.266 11.346 -4.453 1.00 0.00 O ATOM 0 H GLU A 938 -3.601 7.737 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 938 -1.998 9.979 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.847 11.477 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.409 10.117 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.467 9.146 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -4.926 10.528 -3.952 1.00 0.00 H new ATOM 919 N ARG A 939 -1.797 11.007 -3.835 1.00 0.00 N ATOM 920 CA ARG A 939 -1.393 11.365 -2.481 1.00 0.00 C ATOM 921 C ARG A 939 -2.443 10.922 -1.466 1.00 0.00 C ATOM 922 O ARG A 939 -2.109 10.411 -0.397 1.00 0.00 O ATOM 923 CB ARG A 939 -1.171 12.875 -2.374 1.00 0.00 C ATOM 924 CG ARG A 939 -2.419 13.696 -2.656 1.00 0.00 C ATOM 925 CD ARG A 939 -2.073 15.138 -2.991 1.00 0.00 C ATOM 926 NE ARG A 939 -1.603 15.874 -1.820 1.00 0.00 N ATOM 927 CZ ARG A 939 -1.449 17.193 -1.794 1.00 0.00 C ATOM 928 NH1 ARG A 939 -1.726 17.918 -2.869 1.00 0.00 N ATOM 929 NH2 ARG A 939 -1.017 17.790 -0.690 1.00 0.00 N ATOM 0 H ARG A 939 -1.523 11.682 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 939 -0.458 10.851 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 939 -0.810 13.111 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 939 -0.388 13.169 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 939 -2.969 13.251 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 939 -3.076 13.671 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 939 -1.304 15.156 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 939 -2.951 15.635 -3.403 1.00 0.00 H new ATOM 0 HE ARG A 939 -1.381 15.346 -0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 939 -2.058 17.463 -3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 939 -1.607 18.931 -2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 939 -0.803 17.236 0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 939 -0.899 18.803 -0.671 1.00 0.00 H new ATOM 943 N GLU A 940 -3.712 11.123 -1.808 1.00 0.00 N ATOM 944 CA GLU A 940 -4.809 10.746 -0.925 1.00 0.00 C ATOM 945 C GLU A 940 -4.765 9.253 -0.610 1.00 0.00 C ATOM 946 O GLU A 940 -4.731 8.856 0.554 1.00 0.00 O ATOM 947 CB GLU A 940 -6.153 11.103 -1.564 1.00 0.00 C ATOM 948 CG GLU A 940 -7.347 10.819 -0.669 1.00 0.00 C ATOM 949 CD GLU A 940 -8.584 11.592 -1.083 1.00 0.00 C ATOM 950 OE1 GLU A 940 -9.225 11.199 -2.079 1.00 0.00 O ATOM 951 OE2 GLU A 940 -8.911 12.592 -0.409 1.00 0.00 O ATOM 0 H GLU A 940 -4.005 11.544 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 940 -4.698 11.301 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -6.151 12.161 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -6.264 10.543 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -7.566 9.752 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -7.093 11.072 0.360 1.00 0.00 H new ATOM 958 N GLU A 941 -4.766 8.433 -1.656 1.00 0.00 N ATOM 959 CA GLU A 941 -4.728 6.985 -1.490 1.00 0.00 C ATOM 960 C GLU A 941 -3.433 6.549 -0.811 1.00 0.00 C ATOM 961 O GLU A 941 -3.445 5.732 0.110 1.00 0.00 O ATOM 962 CB GLU A 941 -4.864 6.290 -2.847 1.00 0.00 C ATOM 963 CG GLU A 941 -6.302 5.994 -3.238 1.00 0.00 C ATOM 964 CD GLU A 941 -6.828 4.720 -2.605 1.00 0.00 C ATOM 965 OE1 GLU A 941 -7.132 4.742 -1.394 1.00 0.00 O ATOM 966 OE2 GLU A 941 -6.935 3.703 -3.321 1.00 0.00 O ATOM 0 H GLU A 941 -4.793 8.746 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 941 -5.566 6.696 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -4.410 6.917 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -4.303 5.356 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -6.935 6.831 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -6.370 5.911 -4.323 1.00 0.00 H new ATOM 973 N LYS A 942 -2.315 7.101 -1.272 1.00 0.00 N ATOM 974 CA LYS A 942 -1.011 6.771 -0.710 1.00 0.00 C ATOM 975 C LYS A 942 -0.989 7.015 0.795 1.00 0.00 C ATOM 976 O LYS A 942 -0.593 6.143 1.568 1.00 0.00 O ATOM 977 CB LYS A 942 0.083 7.600 -1.387 1.00 0.00 C ATOM 978 CG LYS A 942 0.367 7.179 -2.819 1.00 0.00 C ATOM 979 CD LYS A 942 1.471 8.020 -3.439 1.00 0.00 C ATOM 980 CE LYS A 942 1.548 7.816 -4.944 1.00 0.00 C ATOM 981 NZ LYS A 942 0.269 8.175 -5.618 1.00 0.00 N ATOM 0 H LYS A 942 -2.286 7.779 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 942 -0.823 5.713 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -0.210 8.650 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 942 1.001 7.520 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 942 0.654 6.128 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -0.541 7.274 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 942 1.293 9.073 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 942 2.427 7.758 -2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 942 2.356 8.423 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 942 1.792 6.775 -5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -0.142 7.327 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -0.397 8.559 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 0.451 8.890 -6.350 1.00 0.00 H new ATOM 995 N GLU A 943 -1.420 8.204 1.204 1.00 0.00 N ATOM 996 CA GLU A 943 -1.450 8.561 2.618 1.00 0.00 C ATOM 997 C GLU A 943 -2.377 7.629 3.394 1.00 0.00 C ATOM 998 O GLU A 943 -1.948 6.933 4.314 1.00 0.00 O ATOM 999 CB GLU A 943 -1.905 10.011 2.791 1.00 0.00 C ATOM 1000 CG GLU A 943 -1.523 10.613 4.133 1.00 0.00 C ATOM 1001 CD GLU A 943 -2.532 10.302 5.221 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -3.691 9.982 4.882 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -2.163 10.379 6.411 1.00 0.00 O ATOM 0 H GLU A 943 -1.753 8.936 0.577 1.00 0.00 H new ATOM 0 HA GLU A 943 -0.440 8.455 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -1.472 10.616 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.988 10.059 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -0.545 10.235 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 943 -1.429 11.694 4.028 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.651 7.622 3.016 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.640 6.777 3.674 1.00 0.00 C ATOM 1012 C LYS A 944 -4.154 5.333 3.755 1.00 0.00 C ATOM 1013 O LYS A 944 -4.016 4.774 4.844 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.972 6.837 2.924 1.00 0.00 C ATOM 1015 CG LYS A 944 -6.647 8.196 2.991 1.00 0.00 C ATOM 1016 CD LYS A 944 -7.209 8.472 4.375 1.00 0.00 C ATOM 1017 CE LYS A 944 -7.881 9.835 4.442 1.00 0.00 C ATOM 1018 NZ LYS A 944 -8.636 10.020 5.712 1.00 0.00 N ATOM 0 H LYS A 944 -4.023 8.193 2.257 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.784 7.151 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -5.803 6.576 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -6.645 6.085 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -5.929 8.973 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -7.450 8.241 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -7.929 7.697 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -6.406 8.424 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -7.127 10.617 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -8.560 9.947 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -9.079 10.961 5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -9.373 9.290 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -7.984 9.939 6.518 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.895 4.735 2.598 1.00 0.00 N ATOM 1033 CA LEU A 945 -3.423 3.356 2.538 1.00 0.00 C ATOM 1034 C LEU A 945 -2.347 3.103 3.588 1.00 0.00 C ATOM 1035 O LEU A 945 -2.398 2.113 4.318 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.875 3.044 1.144 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.916 2.738 0.066 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -3.320 2.928 -1.320 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.452 1.323 0.230 1.00 0.00 C ATOM 0 H LEU A 945 -4.004 5.183 1.688 1.00 0.00 H new ATOM 0 HA LEU A 945 -4.268 2.699 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -2.277 3.893 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -2.201 2.191 1.223 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.746 3.435 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -4.075 2.706 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -2.986 3.959 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -2.472 2.255 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -5.192 1.122 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.632 0.611 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -4.917 1.222 1.210 1.00 0.00 H new ATOM 1051 N PHE A 946 -1.374 4.005 3.661 1.00 0.00 N ATOM 1052 CA PHE A 946 -0.286 3.880 4.623 1.00 0.00 C ATOM 1053 C PHE A 946 -0.828 3.740 6.043 1.00 0.00 C ATOM 1054 O PHE A 946 -0.528 2.773 6.740 1.00 0.00 O ATOM 1055 CB PHE A 946 0.641 5.095 4.537 1.00 0.00 C ATOM 1056 CG PHE A 946 1.642 5.166 5.656 1.00 0.00 C ATOM 1057 CD1 PHE A 946 2.680 4.252 5.733 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.543 6.146 6.629 1.00 0.00 C ATOM 1059 CE1 PHE A 946 3.602 4.314 6.761 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.463 6.214 7.659 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.493 5.296 7.725 1.00 0.00 C ATOM 0 H PHE A 946 -1.317 4.831 3.065 1.00 0.00 H new ATOM 0 HA PHE A 946 0.280 2.981 4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.173 5.070 3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.038 6.003 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 946 2.770 3.482 4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 946 0.739 6.865 6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.407 3.595 6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.376 6.984 8.411 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.212 5.346 8.529 1.00 0.00 H new ATOM 1071 N ASN A 947 -1.629 4.715 6.463 1.00 0.00 N ATOM 1072 CA ASN A 947 -2.213 4.702 7.799 1.00 0.00 C ATOM 1073 C ASN A 947 -2.831 3.342 8.109 1.00 0.00 C ATOM 1074 O ASN A 947 -2.595 2.770 9.173 1.00 0.00 O ATOM 1075 CB ASN A 947 -3.273 5.798 7.925 1.00 0.00 C ATOM 1076 CG ASN A 947 -2.665 7.166 8.165 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -2.639 7.657 9.293 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -2.172 7.788 7.100 1.00 0.00 N ATOM 0 H ASN A 947 -1.888 5.523 5.897 1.00 0.00 H new ATOM 0 HA ASN A 947 -1.417 4.892 8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.874 5.825 7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -3.948 5.554 8.746 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -1.750 8.711 7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -2.215 7.342 6.184 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.623 2.831 7.171 1.00 0.00 N ATOM 1086 CA GLU A 948 -4.276 1.538 7.345 1.00 0.00 C ATOM 1087 C GLU A 948 -3.254 0.452 7.669 1.00 0.00 C ATOM 1088 O GLU A 948 -3.370 -0.245 8.678 1.00 0.00 O ATOM 1089 CB GLU A 948 -5.054 1.161 6.083 1.00 0.00 C ATOM 1090 CG GLU A 948 -6.112 2.179 5.694 1.00 0.00 C ATOM 1091 CD GLU A 948 -7.012 2.559 6.854 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -7.675 1.658 7.410 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -7.052 3.756 7.207 1.00 0.00 O ATOM 0 H GLU A 948 -3.828 3.292 6.284 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.971 1.620 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.354 1.043 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.532 0.193 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -5.625 3.075 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.720 1.774 4.885 1.00 0.00 H new ATOM 1100 N HIS A 949 -2.252 0.314 6.806 1.00 0.00 N ATOM 1101 CA HIS A 949 -1.209 -0.687 7.000 1.00 0.00 C ATOM 1102 C HIS A 949 -0.702 -0.672 8.439 1.00 0.00 C ATOM 1103 O HIS A 949 -0.802 -1.671 9.152 1.00 0.00 O ATOM 1104 CB HIS A 949 -0.049 -0.438 6.036 1.00 0.00 C ATOM 1105 CG HIS A 949 1.195 -1.195 6.387 1.00 0.00 C ATOM 1106 ND1 HIS A 949 1.222 -2.563 6.553 1.00 0.00 N ATOM 1107 CD2 HIS A 949 2.461 -0.766 6.602 1.00 0.00 C ATOM 1108 CE1 HIS A 949 2.450 -2.944 6.858 1.00 0.00 C ATOM 1109 NE2 HIS A 949 3.221 -1.872 6.893 1.00 0.00 N ATOM 0 H HIS A 949 -2.140 0.882 5.966 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.638 -1.668 6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.360 -0.713 5.028 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.177 0.628 6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 949 2.808 0.255 6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 949 2.769 -3.959 7.046 1.00 0.00 H new ATOM 0 HE2 HIS A 949 4.219 -1.867 7.102 1.00 0.00 H new ATOM 1117 N ILE A 950 -0.158 0.465 8.858 1.00 0.00 N ATOM 1118 CA ILE A 950 0.364 0.609 10.211 1.00 0.00 C ATOM 1119 C ILE A 950 -0.619 0.061 11.240 1.00 0.00 C ATOM 1120 O ILE A 950 -0.265 -0.786 12.060 1.00 0.00 O ATOM 1121 CB ILE A 950 0.670 2.082 10.543 1.00 0.00 C ATOM 1122 CG1 ILE A 950 1.471 2.727 9.411 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.427 2.182 11.859 1.00 0.00 C ATOM 1124 CD1 ILE A 950 2.668 1.910 8.976 1.00 0.00 C ATOM 0 H ILE A 950 -0.067 1.300 8.280 1.00 0.00 H new ATOM 0 HA ILE A 950 1.290 0.036 10.255 1.00 0.00 H new ATOM 0 HB ILE A 950 -0.273 2.619 10.647 1.00 0.00 H new ATOM 0 HG12 ILE A 950 0.815 2.880 8.554 1.00 0.00 H new ATOM 0 HG13 ILE A 950 1.811 3.712 9.732 1.00 0.00 H new ATOM 0 HG21 ILE A 950 1.636 3.229 12.080 1.00 0.00 H new ATOM 0 HG22 ILE A 950 0.823 1.756 12.660 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.366 1.633 11.781 1.00 0.00 H new ATOM 0 HD11 ILE A 950 3.189 2.428 8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 950 3.345 1.779 9.820 1.00 0.00 H new ATOM 0 HD13 ILE A 950 2.334 0.934 8.624 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.854 0.550 11.190 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.888 0.107 12.118 1.00 0.00 C ATOM 1138 C GLU A 951 -3.021 -1.413 12.100 1.00 0.00 C ATOM 1139 O GLU A 951 -3.217 -2.042 13.139 1.00 0.00 O ATOM 1140 CB GLU A 951 -4.230 0.752 11.766 1.00 0.00 C ATOM 1141 CG GLU A 951 -4.260 2.255 11.988 1.00 0.00 C ATOM 1142 CD GLU A 951 -5.442 2.921 11.311 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -6.590 2.514 11.584 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -5.217 3.851 10.507 1.00 0.00 O ATOM 0 H GLU A 951 -2.163 1.252 10.518 1.00 0.00 H new ATOM 0 HA GLU A 951 -2.596 0.416 13.122 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -4.461 0.543 10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -5.014 0.289 12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -4.296 2.460 13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -3.336 2.693 11.611 1.00 0.00 H new ATOM 1151 N ALA A 952 -2.915 -1.996 10.910 1.00 0.00 N ATOM 1152 CA ALA A 952 -3.022 -3.441 10.755 1.00 0.00 C ATOM 1153 C ALA A 952 -1.943 -4.161 11.557 1.00 0.00 C ATOM 1154 O ALA A 952 -2.231 -5.090 12.311 1.00 0.00 O ATOM 1155 CB ALA A 952 -2.933 -3.823 9.285 1.00 0.00 C ATOM 0 H ALA A 952 -2.755 -1.489 10.039 1.00 0.00 H new ATOM 0 HA ALA A 952 -3.993 -3.751 11.141 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.014 -4.905 9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -3.744 -3.346 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -1.977 -3.492 8.880 1.00 0.00 H new ATOM 1161 N LEU A 953 -0.699 -3.726 11.388 1.00 0.00 N ATOM 1162 CA LEU A 953 0.425 -4.329 12.096 1.00 0.00 C ATOM 1163 C LEU A 953 0.169 -4.361 13.599 1.00 0.00 C ATOM 1164 O LEU A 953 0.221 -5.419 14.227 1.00 0.00 O ATOM 1165 CB LEU A 953 1.712 -3.556 11.803 1.00 0.00 C ATOM 1166 CG LEU A 953 2.145 -3.503 10.337 1.00 0.00 C ATOM 1167 CD1 LEU A 953 3.247 -2.473 10.143 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.605 -4.875 9.867 1.00 0.00 C ATOM 0 H LEU A 953 -0.443 -2.958 10.767 1.00 0.00 H new ATOM 0 HA LEU A 953 0.536 -5.354 11.743 1.00 0.00 H new ATOM 0 HB2 LEU A 953 1.588 -2.534 12.161 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.520 -4.001 12.384 1.00 0.00 H new ATOM 0 HG LEU A 953 1.287 -3.204 9.735 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.542 -2.449 9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.882 -1.490 10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 953 4.107 -2.741 10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 953 2.909 -4.818 8.822 1.00 0.00 H new ATOM 0 HD22 LEU A 953 3.449 -5.203 10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 953 1.787 -5.588 9.968 1.00 0.00 H new ATOM 1180 N THR A 954 -0.112 -3.194 14.171 1.00 0.00 N ATOM 1181 CA THR A 954 -0.378 -3.088 15.600 1.00 0.00 C ATOM 1182 C THR A 954 -1.431 -4.098 16.040 1.00 0.00 C ATOM 1183 O THR A 954 -1.152 -4.997 16.834 1.00 0.00 O ATOM 1184 CB THR A 954 -0.851 -1.672 15.980 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.923 -1.267 15.121 1.00 0.00 O ATOM 1186 CG2 THR A 954 0.292 -0.674 15.878 1.00 0.00 C ATOM 0 H THR A 954 -0.161 -2.309 13.666 1.00 0.00 H new ATOM 0 HA THR A 954 0.561 -3.299 16.112 1.00 0.00 H new ATOM 0 HB THR A 954 -1.201 -1.694 17.012 1.00 0.00 H new ATOM 0 HG1 THR A 954 -2.234 -2.037 14.601 1.00 0.00 H new ATOM 0 HG21 THR A 954 -0.066 0.319 16.151 1.00 0.00 H new ATOM 0 HG22 THR A 954 1.094 -0.969 16.554 1.00 0.00 H new ATOM 0 HG23 THR A 954 0.668 -0.655 14.855 1.00 0.00 H new