USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 12 THR OG1 : rot 33:sc= 0.234 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.734 X(o=-0.5,f=-0.76) USER MOD Single : A 15 THR OG1 : rot 165:sc= 1.68 USER MOD Single : A 16 SER OG : rot 101:sc= 0.119 USER MOD Single : A 18 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.31) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 28 CYS SG : rot 79:sc= 0.154 USER MOD Single : A 29 LYS NZ :NH3+ -134:sc= 1.07 (180deg=-0.523) USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= -0.0369 (180deg=-0.325) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 42 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.0075) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.237 F(o=-1.2,f=-0.24) USER MOD Single : A 57 ASN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N THR A 12 -8.354 6.650 -6.349 1.00 0.00 N ATOM 180 CA THR A 12 -8.531 6.044 -5.034 1.00 0.00 C ATOM 181 C THR A 12 -9.279 6.969 -4.074 1.00 0.00 C ATOM 182 O THR A 12 -8.907 8.130 -3.883 1.00 0.00 O ATOM 183 CB THR A 12 -7.181 5.596 -4.440 1.00 0.00 C ATOM 184 OG1 THR A 12 -6.501 4.711 -5.309 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.335 4.882 -3.095 1.00 0.00 C ATOM 0 HA THR A 12 -9.149 5.156 -5.170 1.00 0.00 H new ATOM 0 HB THR A 12 -6.612 6.516 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.699 4.949 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.353 4.589 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.808 5.554 -2.379 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.954 3.994 -3.223 1.00 0.00 H new ATOM 193 N ALA A 13 -10.292 6.399 -3.424 1.00 0.00 N ATOM 194 CA ALA A 13 -11.030 6.968 -2.318 1.00 0.00 C ATOM 195 C ALA A 13 -11.145 5.872 -1.263 1.00 0.00 C ATOM 196 O ALA A 13 -12.052 5.040 -1.344 1.00 0.00 O ATOM 197 CB ALA A 13 -12.398 7.436 -2.819 1.00 0.00 C ATOM 0 H ALA A 13 -10.633 5.472 -3.677 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.535 7.837 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.961 7.866 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.263 8.188 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.946 6.587 -3.228 1.00 0.00 H new ATOM 203 N PHE A 14 -10.215 5.823 -0.315 1.00 0.00 N ATOM 204 CA PHE A 14 -10.342 5.038 0.909 1.00 0.00 C ATOM 205 C PHE A 14 -10.160 5.986 2.097 1.00 0.00 C ATOM 206 O PHE A 14 -10.123 7.205 1.920 1.00 0.00 O ATOM 207 CB PHE A 14 -9.348 3.865 0.929 1.00 0.00 C ATOM 208 CG PHE A 14 -9.382 2.928 -0.267 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.589 2.361 -0.725 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.178 2.599 -0.911 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.582 1.457 -1.804 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.176 1.714 -2.000 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.369 1.113 -2.425 1.00 0.00 C ATOM 0 H PHE A 14 -9.336 6.337 -0.376 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.330 4.581 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.341 4.273 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.532 3.277 1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.522 2.621 -0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.249 3.029 -0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.509 1.028 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.251 1.495 -2.513 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.356 0.389 -3.226 1.00 0.00 H new ATOM 223 N THR A 15 -10.079 5.437 3.304 1.00 0.00 N ATOM 224 CA THR A 15 -10.064 6.185 4.550 1.00 0.00 C ATOM 225 C THR A 15 -9.132 5.498 5.527 1.00 0.00 C ATOM 226 O THR A 15 -9.040 4.270 5.528 1.00 0.00 O ATOM 227 CB THR A 15 -11.490 6.369 5.125 1.00 0.00 C ATOM 228 OG1 THR A 15 -11.484 6.386 6.530 1.00 0.00 O ATOM 229 CG2 THR A 15 -12.504 5.335 4.628 1.00 0.00 C ATOM 0 H THR A 15 -10.020 4.428 3.444 1.00 0.00 H new ATOM 0 HA THR A 15 -9.690 7.191 4.362 1.00 0.00 H new ATOM 0 HB THR A 15 -11.816 7.338 4.748 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.339 6.736 6.857 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.477 5.534 5.078 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.586 5.398 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.172 4.336 4.909 1.00 0.00 H new ATOM 237 N SER A 16 -8.571 6.293 6.434 1.00 0.00 N ATOM 238 CA SER A 16 -7.859 5.918 7.642 1.00 0.00 C ATOM 239 C SER A 16 -8.647 4.992 8.589 1.00 0.00 C ATOM 240 O SER A 16 -8.090 4.570 9.601 1.00 0.00 O ATOM 241 CB SER A 16 -7.485 7.220 8.364 1.00 0.00 C ATOM 242 OG SER A 16 -7.149 8.237 7.432 1.00 0.00 O ATOM 0 H SER A 16 -8.609 7.307 6.328 1.00 0.00 H new ATOM 0 HA SER A 16 -6.985 5.335 7.351 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.319 7.550 8.983 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.643 7.041 9.033 1.00 0.00 H new ATOM 0 HG SER A 16 -7.910 8.845 7.323 1.00 0.00 H new ATOM 248 N GLU A 17 -9.920 4.662 8.320 1.00 0.00 N ATOM 249 CA GLU A 17 -10.635 3.617 9.019 1.00 0.00 C ATOM 250 C GLU A 17 -10.614 2.247 8.345 1.00 0.00 C ATOM 251 O GLU A 17 -10.788 1.219 9.003 1.00 0.00 O ATOM 252 CB GLU A 17 -12.062 4.092 9.218 1.00 0.00 C ATOM 253 CG GLU A 17 -12.950 4.049 7.976 1.00 0.00 C ATOM 254 CD GLU A 17 -13.974 5.187 7.883 1.00 0.00 C ATOM 255 OE1 GLU A 17 -13.596 6.365 8.091 1.00 0.00 O ATOM 256 OE2 GLU A 17 -15.143 4.926 7.513 1.00 0.00 O ATOM 0 H GLU A 17 -10.475 5.126 7.601 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.119 3.452 9.965 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.524 3.483 9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.037 5.116 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.315 4.076 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.481 3.097 7.958 1.00 0.00 H new ATOM 263 N GLN A 18 -10.425 2.246 7.037 1.00 0.00 N ATOM 264 CA GLN A 18 -10.351 1.066 6.186 1.00 0.00 C ATOM 265 C GLN A 18 -8.900 0.712 5.846 1.00 0.00 C ATOM 266 O GLN A 18 -8.618 -0.436 5.513 1.00 0.00 O ATOM 267 CB GLN A 18 -11.177 1.328 4.913 1.00 0.00 C ATOM 268 CG GLN A 18 -12.684 1.239 5.211 1.00 0.00 C ATOM 269 CD GLN A 18 -13.591 1.870 4.156 1.00 0.00 C ATOM 270 OE1 GLN A 18 -14.519 2.591 4.500 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.422 1.575 2.875 1.00 0.00 N ATOM 0 H GLN A 18 -10.313 3.112 6.510 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.763 0.208 6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.938 2.314 4.516 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.910 0.602 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.956 0.189 5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.878 1.720 6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.649 0.974 2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.065 1.949 2.177 1.00 0.00 H new ATOM 280 N LEU A 19 -7.979 1.672 5.945 1.00 0.00 N ATOM 281 CA LEU A 19 -6.572 1.471 5.631 1.00 0.00 C ATOM 282 C LEU A 19 -5.862 0.575 6.650 1.00 0.00 C ATOM 283 O LEU A 19 -4.814 0.045 6.285 1.00 0.00 O ATOM 284 CB LEU A 19 -5.848 2.825 5.506 1.00 0.00 C ATOM 285 CG LEU A 19 -6.132 3.573 4.186 1.00 0.00 C ATOM 286 CD1 LEU A 19 -5.629 5.015 4.277 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.478 2.899 2.973 1.00 0.00 C ATOM 0 H LEU A 19 -8.197 2.621 6.250 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.532 0.953 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.142 3.460 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.774 2.660 5.594 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.212 3.552 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.835 5.532 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.138 5.527 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.555 5.015 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.710 3.467 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.398 2.867 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.861 1.884 2.871 1.00 0.00 H new ATOM 299 N LEU A 20 -6.407 0.337 7.860 1.00 0.00 N ATOM 300 CA LEU A 20 -5.686 -0.391 8.899 1.00 0.00 C ATOM 301 C LEU A 20 -5.289 -1.774 8.406 1.00 0.00 C ATOM 302 O LEU A 20 -4.151 -2.198 8.554 1.00 0.00 O ATOM 303 CB LEU A 20 -6.584 -0.551 10.136 1.00 0.00 C ATOM 304 CG LEU A 20 -6.553 0.586 11.163 1.00 0.00 C ATOM 305 CD1 LEU A 20 -5.172 0.809 11.789 1.00 0.00 C ATOM 306 CD2 LEU A 20 -7.100 1.892 10.590 1.00 0.00 C ATOM 0 H LEU A 20 -7.342 0.641 8.132 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.789 0.174 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.612 -0.674 9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.303 -1.474 10.643 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.213 0.260 11.967 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.225 1.628 12.506 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.853 -0.100 12.300 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.454 1.057 11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.059 2.670 11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.499 2.193 9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.134 1.747 10.276 1.00 0.00 H new ATOM 318 N GLU A 21 -6.253 -2.479 7.825 1.00 0.00 N ATOM 319 CA GLU A 21 -6.136 -3.871 7.420 1.00 0.00 C ATOM 320 C GLU A 21 -5.241 -3.986 6.175 1.00 0.00 C ATOM 321 O GLU A 21 -4.550 -4.987 5.981 1.00 0.00 O ATOM 322 CB GLU A 21 -7.559 -4.388 7.155 1.00 0.00 C ATOM 323 CG GLU A 21 -8.501 -4.237 8.369 1.00 0.00 C ATOM 324 CD GLU A 21 -8.278 -5.275 9.478 1.00 0.00 C ATOM 325 OE1 GLU A 21 -7.725 -6.365 9.226 1.00 0.00 O ATOM 326 OE2 GLU A 21 -8.710 -5.011 10.625 1.00 0.00 O ATOM 0 H GLU A 21 -7.169 -2.081 7.617 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.667 -4.474 8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.982 -3.849 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.509 -5.439 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.374 -3.240 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.533 -4.308 8.024 1.00 0.00 H new ATOM 333 N LEU A 22 -5.230 -2.939 5.342 1.00 0.00 N ATOM 334 CA LEU A 22 -4.377 -2.817 4.166 1.00 0.00 C ATOM 335 C LEU A 22 -2.928 -2.734 4.617 1.00 0.00 C ATOM 336 O LEU A 22 -2.100 -3.549 4.200 1.00 0.00 O ATOM 337 CB LEU A 22 -4.768 -1.558 3.356 1.00 0.00 C ATOM 338 CG LEU A 22 -5.469 -1.885 2.031 1.00 0.00 C ATOM 339 CD1 LEU A 22 -6.238 -0.665 1.521 1.00 0.00 C ATOM 340 CD2 LEU A 22 -4.483 -2.379 0.972 1.00 0.00 C ATOM 0 H LEU A 22 -5.836 -2.130 5.477 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.505 -3.687 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.424 -0.933 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.871 -0.973 3.151 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.174 -2.694 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.730 -0.912 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.987 -0.374 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.545 0.161 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.020 -2.599 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.737 -1.608 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.989 -3.283 1.329 1.00 0.00 H new ATOM 352 N GLU A 23 -2.646 -1.742 5.460 1.00 0.00 N ATOM 353 CA GLU A 23 -1.336 -1.446 6.007 1.00 0.00 C ATOM 354 C GLU A 23 -0.859 -2.527 6.966 1.00 0.00 C ATOM 355 O GLU A 23 0.351 -2.660 7.173 1.00 0.00 O ATOM 356 CB GLU A 23 -1.384 -0.108 6.748 1.00 0.00 C ATOM 357 CG GLU A 23 -1.452 1.053 5.736 1.00 0.00 C ATOM 358 CD GLU A 23 -1.277 2.434 6.369 1.00 0.00 C ATOM 359 OE1 GLU A 23 -1.563 2.622 7.570 1.00 0.00 O ATOM 360 OE2 GLU A 23 -0.775 3.346 5.665 1.00 0.00 O ATOM 0 H GLU A 23 -3.363 -1.096 5.792 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.634 -1.401 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.252 -0.079 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.502 -0.000 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.680 0.910 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.412 1.018 5.221 1.00 0.00 H new ATOM 367 N LYS A 24 -1.772 -3.292 7.563 1.00 0.00 N ATOM 368 CA LYS A 24 -1.420 -4.395 8.432 1.00 0.00 C ATOM 369 C LYS A 24 -0.700 -5.455 7.620 1.00 0.00 C ATOM 370 O LYS A 24 0.445 -5.791 7.922 1.00 0.00 O ATOM 371 CB LYS A 24 -2.682 -4.950 9.119 1.00 0.00 C ATOM 372 CG LYS A 24 -2.333 -6.153 9.992 1.00 0.00 C ATOM 373 CD LYS A 24 -3.533 -6.706 10.754 1.00 0.00 C ATOM 374 CE LYS A 24 -3.038 -7.836 11.664 1.00 0.00 C ATOM 375 NZ LYS A 24 -4.019 -8.158 12.711 1.00 0.00 N ATOM 0 H LYS A 24 -2.777 -3.157 7.452 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.748 -4.055 9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.142 -4.173 9.729 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.415 -5.240 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.914 -6.940 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.559 -5.866 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.004 -5.920 11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.286 -7.078 10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.839 -8.725 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.095 -7.545 12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.651 -8.926 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.190 -7.316 13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.911 -8.460 12.270 1.00 0.00 H new ATOM 389 N GLU A 25 -1.358 -5.961 6.582 1.00 0.00 N ATOM 390 CA GLU A 25 -0.782 -7.000 5.747 1.00 0.00 C ATOM 391 C GLU A 25 0.475 -6.475 5.062 1.00 0.00 C ATOM 392 O GLU A 25 1.494 -7.168 5.035 1.00 0.00 O ATOM 393 CB GLU A 25 -1.838 -7.487 4.746 1.00 0.00 C ATOM 394 CG GLU A 25 -2.955 -8.271 5.451 1.00 0.00 C ATOM 395 CD GLU A 25 -2.404 -9.402 6.324 1.00 0.00 C ATOM 396 OE1 GLU A 25 -1.629 -10.234 5.808 1.00 0.00 O ATOM 397 OE2 GLU A 25 -2.688 -9.402 7.547 1.00 0.00 O ATOM 0 H GLU A 25 -2.293 -5.665 6.301 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.482 -7.855 6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.266 -6.633 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.365 -8.119 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.541 -7.590 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.632 -8.687 4.705 1.00 0.00 H new ATOM 404 N PHE A 26 0.456 -5.222 4.594 1.00 0.00 N ATOM 405 CA PHE A 26 1.641 -4.616 4.002 1.00 0.00 C ATOM 406 C PHE A 26 2.814 -4.500 4.985 1.00 0.00 C ATOM 407 O PHE A 26 3.951 -4.390 4.526 1.00 0.00 O ATOM 408 CB PHE A 26 1.299 -3.280 3.321 1.00 0.00 C ATOM 409 CG PHE A 26 1.161 -3.434 1.818 1.00 0.00 C ATOM 410 CD1 PHE A 26 0.060 -4.119 1.273 1.00 0.00 C ATOM 411 CD2 PHE A 26 2.181 -2.972 0.967 1.00 0.00 C ATOM 412 CE1 PHE A 26 -0.010 -4.352 -0.112 1.00 0.00 C ATOM 413 CE2 PHE A 26 2.115 -3.214 -0.415 1.00 0.00 C ATOM 414 CZ PHE A 26 1.026 -3.914 -0.958 1.00 0.00 C ATOM 0 H PHE A 26 -0.364 -4.616 4.616 1.00 0.00 H new ATOM 0 HA PHE A 26 1.990 -5.296 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.369 -2.889 3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.077 -2.550 3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.733 -4.466 1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.019 -2.429 1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.862 -4.869 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.904 -2.861 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.983 -4.115 -2.018 1.00 0.00 H new ATOM 424 N HIS A 27 2.597 -4.580 6.302 1.00 0.00 N ATOM 425 CA HIS A 27 3.681 -4.590 7.286 1.00 0.00 C ATOM 426 C HIS A 27 4.427 -5.935 7.290 1.00 0.00 C ATOM 427 O HIS A 27 5.620 -5.989 7.618 1.00 0.00 O ATOM 428 CB HIS A 27 3.104 -4.294 8.682 1.00 0.00 C ATOM 429 CG HIS A 27 4.086 -3.714 9.666 1.00 0.00 C ATOM 430 ND1 HIS A 27 4.891 -2.618 9.449 1.00 0.00 N ATOM 431 CD2 HIS A 27 4.246 -4.097 10.972 1.00 0.00 C ATOM 432 CE1 HIS A 27 5.516 -2.338 10.603 1.00 0.00 C ATOM 433 NE2 HIS A 27 5.169 -3.220 11.554 1.00 0.00 N ATOM 0 H HIS A 27 1.666 -4.640 6.714 1.00 0.00 H new ATOM 0 HA HIS A 27 4.401 -3.818 7.015 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.269 -3.602 8.574 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.701 -5.218 9.096 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.751 -4.923 11.462 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.203 -1.517 10.747 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.512 -3.246 12.514 1.00 0.00 H new ATOM 441 N CYS A 28 3.739 -7.016 6.907 1.00 0.00 N ATOM 442 CA CYS A 28 4.180 -8.388 7.111 1.00 0.00 C ATOM 443 C CYS A 28 4.541 -9.051 5.784 1.00 0.00 C ATOM 444 O CYS A 28 5.271 -10.044 5.762 1.00 0.00 O ATOM 445 CB CYS A 28 3.073 -9.169 7.831 1.00 0.00 C ATOM 446 SG CYS A 28 2.503 -8.237 9.285 1.00 0.00 S ATOM 0 H CYS A 28 2.837 -6.952 6.435 1.00 0.00 H new ATOM 0 HA CYS A 28 5.079 -8.387 7.727 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.239 -9.345 7.151 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.446 -10.146 8.138 1.00 0.00 H new ATOM 0 HG CYS A 28 1.698 -7.290 8.905 1.00 0.00 H new ATOM 452 N LYS A 29 4.054 -8.522 4.664 1.00 0.00 N ATOM 453 CA LYS A 29 4.463 -8.938 3.338 1.00 0.00 C ATOM 454 C LYS A 29 4.406 -7.749 2.408 1.00 0.00 C ATOM 455 O LYS A 29 3.439 -6.990 2.400 1.00 0.00 O ATOM 456 CB LYS A 29 3.589 -10.082 2.817 1.00 0.00 C ATOM 457 CG LYS A 29 2.103 -10.058 3.228 1.00 0.00 C ATOM 458 CD LYS A 29 1.230 -10.851 2.253 1.00 0.00 C ATOM 459 CE LYS A 29 1.814 -12.188 1.798 1.00 0.00 C ATOM 460 NZ LYS A 29 1.532 -13.309 2.718 1.00 0.00 N ATOM 0 H LYS A 29 3.353 -7.781 4.659 1.00 0.00 H new ATOM 0 HA LYS A 29 5.485 -9.313 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.641 -10.082 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.021 -11.023 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.997 -10.472 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.755 -9.026 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.264 -11.036 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.044 -10.235 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.416 -12.431 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.893 -12.083 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.403 -13.855 2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.187 -12.935 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.807 -13.927 2.300 1.00 0.00 H new ATOM 474 N LYS A 30 5.432 -7.614 1.580 1.00 0.00 N ATOM 475 CA LYS A 30 5.527 -6.567 0.574 1.00 0.00 C ATOM 476 C LYS A 30 4.692 -6.890 -0.667 1.00 0.00 C ATOM 477 O LYS A 30 4.556 -6.023 -1.532 1.00 0.00 O ATOM 478 CB LYS A 30 7.020 -6.359 0.249 1.00 0.00 C ATOM 479 CG LYS A 30 7.452 -4.905 0.452 1.00 0.00 C ATOM 480 CD LYS A 30 7.134 -4.024 -0.763 1.00 0.00 C ATOM 481 CE LYS A 30 6.273 -2.798 -0.452 1.00 0.00 C ATOM 482 NZ LYS A 30 6.812 -1.973 0.646 1.00 0.00 N ATOM 0 H LYS A 30 6.236 -8.241 1.589 1.00 0.00 H new ATOM 0 HA LYS A 30 5.110 -5.637 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.623 -7.009 0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.211 -6.654 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.952 -4.500 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.523 -4.872 0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.071 -3.690 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.623 -4.630 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.187 -2.185 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.266 -3.125 -0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.420 -1.012 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.548 -2.395 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.848 -1.930 0.571 1.00 0.00 H new ATOM 496 N TYR A 31 4.170 -8.113 -0.779 1.00 0.00 N ATOM 497 CA TYR A 31 3.454 -8.621 -1.934 1.00 0.00 C ATOM 498 C TYR A 31 2.370 -9.589 -1.442 1.00 0.00 C ATOM 499 O TYR A 31 2.658 -10.547 -0.726 1.00 0.00 O ATOM 500 CB TYR A 31 4.474 -9.256 -2.895 1.00 0.00 C ATOM 501 CG TYR A 31 5.563 -10.102 -2.250 1.00 0.00 C ATOM 502 CD1 TYR A 31 5.362 -11.474 -2.008 1.00 0.00 C ATOM 503 CD2 TYR A 31 6.783 -9.498 -1.882 1.00 0.00 C ATOM 504 CE1 TYR A 31 6.375 -12.238 -1.402 1.00 0.00 C ATOM 505 CE2 TYR A 31 7.777 -10.243 -1.223 1.00 0.00 C ATOM 506 CZ TYR A 31 7.576 -11.620 -0.983 1.00 0.00 C ATOM 507 OH TYR A 31 8.529 -12.337 -0.328 1.00 0.00 O ATOM 0 H TYR A 31 4.242 -8.801 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 31 2.944 -7.835 -2.492 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.933 -9.878 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.951 -8.459 -3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.429 -11.940 -2.288 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.955 -8.456 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.236 -13.299 -1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.690 -9.764 -0.902 1.00 0.00 H new ATOM 0 HH TYR A 31 9.288 -11.755 -0.116 1.00 0.00 H new ATOM 517 N LEU A 32 1.108 -9.284 -1.760 1.00 0.00 N ATOM 518 CA LEU A 32 -0.082 -10.065 -1.432 1.00 0.00 C ATOM 519 C LEU A 32 -0.262 -11.147 -2.491 1.00 0.00 C ATOM 520 O LEU A 32 -0.493 -10.822 -3.664 1.00 0.00 O ATOM 521 CB LEU A 32 -1.336 -9.174 -1.426 1.00 0.00 C ATOM 522 CG LEU A 32 -1.319 -7.966 -0.478 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.679 -7.283 -0.549 1.00 0.00 C ATOM 524 CD2 LEU A 32 -1.039 -8.294 0.986 1.00 0.00 C ATOM 0 H LEU A 32 0.880 -8.438 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 32 0.046 -10.502 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.499 -8.809 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.194 -9.796 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.497 -7.335 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.688 -6.421 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.868 -6.953 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.455 -7.985 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.048 -7.376 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.806 -8.971 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.062 -8.770 1.072 1.00 0.00 H new ATOM 536 N SER A 33 -0.190 -12.413 -2.100 1.00 0.00 N ATOM 537 CA SER A 33 -0.146 -13.541 -3.033 1.00 0.00 C ATOM 538 C SER A 33 -1.541 -14.023 -3.433 1.00 0.00 C ATOM 539 O SER A 33 -1.889 -15.193 -3.283 1.00 0.00 O ATOM 540 CB SER A 33 0.769 -14.635 -2.480 1.00 0.00 C ATOM 541 OG SER A 33 2.110 -14.178 -2.634 1.00 0.00 O ATOM 0 H SER A 33 -0.160 -12.692 -1.119 1.00 0.00 H new ATOM 0 HA SER A 33 0.293 -13.209 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.546 -14.829 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.617 -15.572 -3.017 1.00 0.00 H new ATOM 0 HG SER A 33 2.728 -14.855 -2.288 1.00 0.00 H new ATOM 547 N LEU A 34 -2.305 -13.097 -4.032 1.00 0.00 N ATOM 548 CA LEU A 34 -3.623 -13.258 -4.645 1.00 0.00 C ATOM 549 C LEU A 34 -4.710 -13.441 -3.586 1.00 0.00 C ATOM 550 O LEU A 34 -5.661 -12.658 -3.526 1.00 0.00 O ATOM 551 CB LEU A 34 -3.598 -14.373 -5.708 1.00 0.00 C ATOM 552 CG LEU A 34 -4.877 -14.373 -6.564 1.00 0.00 C ATOM 553 CD1 LEU A 34 -4.517 -14.502 -8.040 1.00 0.00 C ATOM 554 CD2 LEU A 34 -5.850 -15.472 -6.131 1.00 0.00 C ATOM 0 H LEU A 34 -1.983 -12.132 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.881 -12.340 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.729 -14.242 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.488 -15.340 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.388 -13.422 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.428 -14.501 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.888 -13.662 -8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.977 -15.435 -8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.740 -15.438 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.369 -16.445 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.135 -15.317 -5.090 1.00 0.00 H new ATOM 566 N THR A 35 -4.553 -14.431 -2.726 1.00 0.00 N ATOM 567 CA THR A 35 -5.426 -14.744 -1.615 1.00 0.00 C ATOM 568 C THR A 35 -5.503 -13.583 -0.615 1.00 0.00 C ATOM 569 O THR A 35 -6.584 -13.235 -0.139 1.00 0.00 O ATOM 570 CB THR A 35 -4.858 -16.044 -1.024 1.00 0.00 C ATOM 571 OG1 THR A 35 -4.907 -17.069 -2.012 1.00 0.00 O ATOM 572 CG2 THR A 35 -5.563 -16.539 0.226 1.00 0.00 C ATOM 0 H THR A 35 -3.765 -15.075 -2.791 1.00 0.00 H new ATOM 0 HA THR A 35 -6.463 -14.887 -1.917 1.00 0.00 H new ATOM 0 HB THR A 35 -3.837 -15.809 -0.724 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.544 -17.900 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.092 -17.460 0.569 1.00 0.00 H new ATOM 0 HG22 THR A 35 -5.492 -15.783 1.008 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.612 -16.730 0.001 1.00 0.00 H new ATOM 580 N GLU A 36 -4.385 -12.928 -0.330 1.00 0.00 N ATOM 581 CA GLU A 36 -4.242 -11.926 0.716 1.00 0.00 C ATOM 582 C GLU A 36 -4.780 -10.591 0.206 1.00 0.00 C ATOM 583 O GLU A 36 -5.303 -9.772 0.958 1.00 0.00 O ATOM 584 CB GLU A 36 -2.751 -11.843 1.084 1.00 0.00 C ATOM 585 CG GLU A 36 -2.208 -13.166 1.654 1.00 0.00 C ATOM 586 CD GLU A 36 -1.401 -13.893 0.585 1.00 0.00 C ATOM 587 OE1 GLU A 36 -1.942 -14.086 -0.522 1.00 0.00 O ATOM 588 OE2 GLU A 36 -0.182 -14.060 0.790 1.00 0.00 O ATOM 0 H GLU A 36 -3.518 -13.088 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.811 -12.189 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.177 -11.570 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.605 -11.049 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.582 -12.969 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.033 -13.794 1.990 1.00 0.00 H new ATOM 595 N ARG A 37 -4.732 -10.397 -1.113 1.00 0.00 N ATOM 596 CA ARG A 37 -5.435 -9.316 -1.779 1.00 0.00 C ATOM 597 C ARG A 37 -6.941 -9.503 -1.616 1.00 0.00 C ATOM 598 O ARG A 37 -7.667 -8.518 -1.491 1.00 0.00 O ATOM 599 CB ARG A 37 -4.935 -9.236 -3.231 1.00 0.00 C ATOM 600 CG ARG A 37 -5.879 -8.580 -4.238 1.00 0.00 C ATOM 601 CD ARG A 37 -7.031 -9.520 -4.648 1.00 0.00 C ATOM 602 NE ARG A 37 -7.486 -9.214 -5.997 1.00 0.00 N ATOM 603 CZ ARG A 37 -6.798 -9.512 -7.085 1.00 0.00 C ATOM 604 NH1 ARG A 37 -6.311 -10.737 -7.228 1.00 0.00 N ATOM 605 NH2 ARG A 37 -6.572 -8.544 -7.959 1.00 0.00 N ATOM 0 H ARG A 37 -4.199 -10.993 -1.747 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.224 -8.346 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.993 -8.688 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.718 -10.248 -3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.292 -7.668 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.317 -8.288 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.698 -10.557 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.859 -9.417 -3.947 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.385 -8.744 -6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.469 -11.437 -6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.778 -10.980 -8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.925 -7.604 -7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.044 -8.738 -8.810 1.00 0.00 H new ATOM 619 N SER A 38 -7.407 -10.750 -1.627 1.00 0.00 N ATOM 620 CA SER A 38 -8.801 -11.114 -1.456 1.00 0.00 C ATOM 621 C SER A 38 -9.163 -11.220 0.033 1.00 0.00 C ATOM 622 O SER A 38 -10.098 -11.949 0.363 1.00 0.00 O ATOM 623 CB SER A 38 -9.057 -12.418 -2.230 1.00 0.00 C ATOM 624 OG SER A 38 -10.411 -12.539 -2.621 1.00 0.00 O ATOM 0 H SER A 38 -6.799 -11.558 -1.760 1.00 0.00 H new ATOM 0 HA SER A 38 -9.451 -10.339 -1.861 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.419 -12.447 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.780 -13.270 -1.609 1.00 0.00 H new ATOM 0 HG SER A 38 -10.536 -13.378 -3.111 1.00 0.00 H new ATOM 630 N GLN A 39 -8.414 -10.579 0.939 1.00 0.00 N ATOM 631 CA GLN A 39 -8.885 -10.290 2.283 1.00 0.00 C ATOM 632 C GLN A 39 -9.598 -8.951 2.258 1.00 0.00 C ATOM 633 O GLN A 39 -10.816 -8.941 2.172 1.00 0.00 O ATOM 634 CB GLN A 39 -7.739 -10.335 3.290 1.00 0.00 C ATOM 635 CG GLN A 39 -7.363 -11.782 3.590 1.00 0.00 C ATOM 636 CD GLN A 39 -8.327 -12.450 4.564 1.00 0.00 C ATOM 637 OE1 GLN A 39 -8.443 -12.042 5.715 1.00 0.00 O ATOM 638 NE2 GLN A 39 -9.042 -13.479 4.149 1.00 0.00 N ATOM 0 H GLN A 39 -7.467 -10.250 0.753 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.591 -11.053 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.875 -9.801 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.032 -9.829 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.343 -12.348 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.355 -11.813 4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.943 -13.816 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.693 -13.937 4.786 1.00 0.00 H new ATOM 647 N ILE A 40 -8.867 -7.834 2.288 1.00 0.00 N ATOM 648 CA ILE A 40 -9.422 -6.506 2.534 1.00 0.00 C ATOM 649 C ILE A 40 -10.583 -6.199 1.566 1.00 0.00 C ATOM 650 O ILE A 40 -11.640 -5.732 2.005 1.00 0.00 O ATOM 651 CB ILE A 40 -8.298 -5.444 2.486 1.00 0.00 C ATOM 652 CG1 ILE A 40 -7.168 -5.609 3.532 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.892 -4.061 2.781 1.00 0.00 C ATOM 654 CD1 ILE A 40 -6.138 -6.709 3.271 1.00 0.00 C ATOM 0 H ILE A 40 -7.858 -7.830 2.140 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.851 -6.477 3.536 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.872 -5.564 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.638 -4.660 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.628 -5.799 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.102 -3.311 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.649 -3.823 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.348 -4.064 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.403 -6.718 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.641 -7.675 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.635 -6.519 2.323 1.00 0.00 H new ATOM 666 N ALA A 41 -10.408 -6.503 0.272 1.00 0.00 N ATOM 667 CA ALA A 41 -11.411 -6.277 -0.767 1.00 0.00 C ATOM 668 C ALA A 41 -12.709 -7.066 -0.552 1.00 0.00 C ATOM 669 O ALA A 41 -13.705 -6.749 -1.210 1.00 0.00 O ATOM 670 CB ALA A 41 -10.820 -6.623 -2.140 1.00 0.00 C ATOM 0 H ALA A 41 -9.548 -6.920 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.677 -5.221 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.570 -6.453 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.952 -5.992 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.517 -7.670 -2.152 1.00 0.00 H new ATOM 676 N HIS A 42 -12.724 -8.069 0.334 1.00 0.00 N ATOM 677 CA HIS A 42 -13.915 -8.827 0.680 1.00 0.00 C ATOM 678 C HIS A 42 -14.147 -8.825 2.203 1.00 0.00 C ATOM 679 O HIS A 42 -14.911 -9.656 2.693 1.00 0.00 O ATOM 680 CB HIS A 42 -13.798 -10.239 0.068 1.00 0.00 C ATOM 681 CG HIS A 42 -15.109 -10.820 -0.411 1.00 0.00 C ATOM 682 ND1 HIS A 42 -15.264 -11.699 -1.464 1.00 0.00 N ATOM 683 CD2 HIS A 42 -16.356 -10.544 0.083 1.00 0.00 C ATOM 684 CE1 HIS A 42 -16.574 -11.960 -1.592 1.00 0.00 C ATOM 685 NE2 HIS A 42 -17.282 -11.267 -0.679 1.00 0.00 N ATOM 0 H HIS A 42 -11.890 -8.376 0.835 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.804 -8.359 0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.102 -10.202 -0.770 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.367 -10.910 0.811 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -16.584 -9.888 0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.000 -12.631 -2.323 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -18.296 -11.269 -0.565 1.00 0.00 H new ATOM 693 N ALA A 43 -13.505 -7.907 2.945 1.00 0.00 N ATOM 694 CA ALA A 43 -13.534 -7.865 4.400 1.00 0.00 C ATOM 695 C ALA A 43 -14.136 -6.568 4.922 1.00 0.00 C ATOM 696 O ALA A 43 -14.843 -6.620 5.934 1.00 0.00 O ATOM 697 CB ALA A 43 -12.123 -8.029 4.974 1.00 0.00 C ATOM 0 H ALA A 43 -12.943 -7.162 2.533 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.164 -8.693 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.167 -7.995 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.710 -8.987 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.486 -7.222 4.611 1.00 0.00 H new ATOM 703 N LEU A 44 -13.859 -5.410 4.295 1.00 0.00 N ATOM 704 CA LEU A 44 -14.332 -4.149 4.864 1.00 0.00 C ATOM 705 C LEU A 44 -15.411 -3.505 3.991 1.00 0.00 C ATOM 706 O LEU A 44 -16.585 -3.863 4.105 1.00 0.00 O ATOM 707 CB LEU A 44 -13.131 -3.188 5.026 1.00 0.00 C ATOM 708 CG LEU A 44 -12.143 -3.431 6.179 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.928 -2.541 5.913 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.750 -3.071 7.537 1.00 0.00 C ATOM 0 H LEU A 44 -13.330 -5.327 3.427 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.781 -4.353 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.564 -3.207 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.527 -2.179 5.137 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.878 -4.488 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.195 -2.679 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.481 -2.812 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.241 -1.497 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.019 -3.258 8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.028 -2.017 7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.636 -3.681 7.713 1.00 0.00 H new ATOM 722 N LYS A 45 -15.018 -2.663 3.031 1.00 0.00 N ATOM 723 CA LYS A 45 -15.846 -1.730 2.264 1.00 0.00 C ATOM 724 C LYS A 45 -15.045 -1.229 1.045 1.00 0.00 C ATOM 725 O LYS A 45 -15.118 -0.046 0.695 1.00 0.00 O ATOM 726 CB LYS A 45 -16.311 -0.524 3.126 1.00 0.00 C ATOM 727 CG LYS A 45 -17.078 -0.777 4.432 1.00 0.00 C ATOM 728 CD LYS A 45 -16.198 -0.760 5.700 1.00 0.00 C ATOM 729 CE LYS A 45 -16.986 -0.349 6.943 1.00 0.00 C ATOM 730 NZ LYS A 45 -17.963 -1.365 7.399 1.00 0.00 N ATOM 0 H LYS A 45 -14.039 -2.613 2.749 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.741 -2.259 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.425 0.059 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.939 0.105 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.857 -0.021 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.578 -1.743 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.768 -1.749 5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.367 -0.070 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.286 -0.143 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.515 0.581 6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.458 -1.016 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.654 -1.546 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.464 -2.248 7.630 1.00 0.00 H new ATOM 744 N LEU A 46 -14.153 -2.060 0.492 1.00 0.00 N ATOM 745 CA LEU A 46 -13.297 -1.699 -0.639 1.00 0.00 C ATOM 746 C LEU A 46 -13.670 -2.588 -1.815 1.00 0.00 C ATOM 747 O LEU A 46 -13.847 -3.794 -1.651 1.00 0.00 O ATOM 748 CB LEU A 46 -11.798 -1.878 -0.350 1.00 0.00 C ATOM 749 CG LEU A 46 -11.192 -1.025 0.778 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.611 -1.541 2.156 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.664 -1.063 0.675 1.00 0.00 C ATOM 0 H LEU A 46 -14.006 -3.013 0.823 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.459 -0.642 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.623 -2.927 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.249 -1.664 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.559 -0.005 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.165 -0.916 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.697 -1.507 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.270 -2.569 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.230 -0.460 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.318 -2.092 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.354 -0.664 -0.291 1.00 0.00 H new ATOM 763 N SER A 47 -13.738 -2.010 -3.011 1.00 0.00 N ATOM 764 CA SER A 47 -14.001 -2.768 -4.222 1.00 0.00 C ATOM 765 C SER A 47 -12.714 -3.338 -4.822 1.00 0.00 C ATOM 766 O SER A 47 -11.738 -2.604 -4.972 1.00 0.00 O ATOM 767 CB SER A 47 -14.647 -1.870 -5.277 1.00 0.00 C ATOM 768 OG SER A 47 -15.919 -1.360 -4.907 1.00 0.00 O ATOM 0 H SER A 47 -13.613 -1.009 -3.164 1.00 0.00 H new ATOM 0 HA SER A 47 -14.667 -3.586 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.979 -1.034 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.750 -2.434 -6.204 1.00 0.00 H new ATOM 0 HG SER A 47 -16.267 -0.795 -5.628 1.00 0.00 H new ATOM 774 N GLU A 48 -12.779 -4.571 -5.331 1.00 0.00 N ATOM 775 CA GLU A 48 -11.736 -5.307 -6.051 1.00 0.00 C ATOM 776 C GLU A 48 -11.032 -4.419 -7.085 1.00 0.00 C ATOM 777 O GLU A 48 -9.806 -4.293 -7.091 1.00 0.00 O ATOM 778 CB GLU A 48 -12.422 -6.486 -6.782 1.00 0.00 C ATOM 779 CG GLU A 48 -12.222 -7.858 -6.137 1.00 0.00 C ATOM 780 CD GLU A 48 -10.808 -8.386 -6.360 1.00 0.00 C ATOM 781 OE1 GLU A 48 -10.347 -8.456 -7.528 1.00 0.00 O ATOM 782 OE2 GLU A 48 -10.132 -8.668 -5.347 1.00 0.00 O ATOM 0 H GLU A 48 -13.631 -5.125 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.983 -5.652 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.491 -6.283 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.048 -6.525 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.420 -7.790 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.943 -8.563 -6.550 1.00 0.00 H new ATOM 789 N VAL A 49 -11.832 -3.792 -7.947 1.00 0.00 N ATOM 790 CA VAL A 49 -11.409 -2.916 -9.029 1.00 0.00 C ATOM 791 C VAL A 49 -10.559 -1.771 -8.492 1.00 0.00 C ATOM 792 O VAL A 49 -9.511 -1.476 -9.066 1.00 0.00 O ATOM 793 CB VAL A 49 -12.671 -2.430 -9.774 1.00 0.00 C ATOM 794 CG1 VAL A 49 -12.273 -1.559 -10.961 1.00 0.00 C ATOM 795 CG2 VAL A 49 -13.550 -3.582 -10.289 1.00 0.00 C ATOM 0 H VAL A 49 -12.846 -3.890 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.775 -3.451 -9.736 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.254 -1.863 -9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.169 -1.221 -11.481 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.711 -0.695 -10.606 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.653 -2.138 -11.646 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.420 -3.174 -10.803 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.975 -4.197 -10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.879 -4.193 -9.448 1.00 0.00 H new ATOM 805 N GLN A 50 -10.978 -1.142 -7.395 1.00 0.00 N ATOM 806 CA GLN A 50 -10.258 -0.036 -6.797 1.00 0.00 C ATOM 807 C GLN A 50 -8.941 -0.529 -6.192 1.00 0.00 C ATOM 808 O GLN A 50 -7.884 0.063 -6.406 1.00 0.00 O ATOM 809 CB GLN A 50 -11.154 0.651 -5.748 1.00 0.00 C ATOM 810 CG GLN A 50 -11.241 2.163 -5.962 1.00 0.00 C ATOM 811 CD GLN A 50 -9.908 2.846 -6.229 1.00 0.00 C ATOM 812 OE1 GLN A 50 -9.711 3.431 -7.290 1.00 0.00 O ATOM 813 NE2 GLN A 50 -8.965 2.768 -5.306 1.00 0.00 N ATOM 0 H GLN A 50 -11.833 -1.393 -6.898 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.007 0.700 -7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.155 0.222 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.763 0.449 -4.751 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.909 2.359 -6.801 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.695 2.615 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.148 2.278 -4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.055 3.198 -5.469 1.00 0.00 H new ATOM 822 N VAL A 51 -8.987 -1.636 -5.453 1.00 0.00 N ATOM 823 CA VAL A 51 -7.821 -2.246 -4.822 1.00 0.00 C ATOM 824 C VAL A 51 -6.764 -2.586 -5.890 1.00 0.00 C ATOM 825 O VAL A 51 -5.574 -2.347 -5.677 1.00 0.00 O ATOM 826 CB VAL A 51 -8.297 -3.437 -3.958 1.00 0.00 C ATOM 827 CG1 VAL A 51 -7.129 -4.228 -3.354 1.00 0.00 C ATOM 828 CG2 VAL A 51 -9.212 -2.932 -2.825 1.00 0.00 C ATOM 0 H VAL A 51 -9.854 -2.143 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.317 -1.559 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.846 -4.110 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.518 -5.053 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.504 -4.623 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.534 -3.571 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.543 -3.777 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.661 -2.231 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.080 -2.431 -3.254 1.00 0.00 H new ATOM 838 N LYS A 52 -7.184 -2.980 -7.102 1.00 0.00 N ATOM 839 CA LYS A 52 -6.293 -3.225 -8.240 1.00 0.00 C ATOM 840 C LYS A 52 -5.395 -2.015 -8.505 1.00 0.00 C ATOM 841 O LYS A 52 -4.215 -2.187 -8.816 1.00 0.00 O ATOM 842 CB LYS A 52 -7.124 -3.586 -9.486 1.00 0.00 C ATOM 843 CG LYS A 52 -6.329 -4.355 -10.553 1.00 0.00 C ATOM 844 CD LYS A 52 -7.223 -4.788 -11.730 1.00 0.00 C ATOM 845 CE LYS A 52 -7.585 -3.641 -12.690 1.00 0.00 C ATOM 846 NZ LYS A 52 -7.157 -3.898 -14.083 1.00 0.00 N ATOM 0 H LYS A 52 -8.168 -3.139 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.642 -4.066 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.981 -4.187 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.518 -2.671 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.518 -3.728 -10.924 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.871 -5.235 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.714 -5.572 -12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.141 -5.223 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.663 -3.484 -12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.122 -2.719 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.427 -3.093 -14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.125 -4.021 -14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.618 -4.762 -14.434 1.00 0.00 H new ATOM 860 N ILE A 53 -5.924 -0.795 -8.383 1.00 0.00 N ATOM 861 CA ILE A 53 -5.159 0.433 -8.555 1.00 0.00 C ATOM 862 C ILE A 53 -4.340 0.752 -7.312 1.00 0.00 C ATOM 863 O ILE A 53 -3.267 1.322 -7.485 1.00 0.00 O ATOM 864 CB ILE A 53 -6.092 1.616 -8.863 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.844 1.416 -10.199 1.00 0.00 C ATOM 866 CG2 ILE A 53 -5.287 2.929 -8.897 1.00 0.00 C ATOM 867 CD1 ILE A 53 -8.352 1.595 -10.019 1.00 0.00 C ATOM 0 H ILE A 53 -6.906 -0.635 -8.160 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.481 0.278 -9.394 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.836 1.670 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.476 2.130 -10.936 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.638 0.419 -10.589 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.957 3.761 -9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.813 3.090 -7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.521 2.866 -9.670 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.853 1.448 -10.976 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.722 0.864 -9.300 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.558 2.601 -9.652 1.00 0.00 H new ATOM 879 N TRP A 54 -4.775 0.427 -6.089 1.00 0.00 N ATOM 880 CA TRP A 54 -3.976 0.724 -4.896 1.00 0.00 C ATOM 881 C TRP A 54 -2.557 0.184 -5.102 1.00 0.00 C ATOM 882 O TRP A 54 -1.576 0.915 -4.945 1.00 0.00 O ATOM 883 CB TRP A 54 -4.635 0.158 -3.631 1.00 0.00 C ATOM 884 CG TRP A 54 -4.165 0.758 -2.334 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.645 1.891 -1.772 1.00 0.00 C ATOM 886 CD2 TRP A 54 -3.126 0.287 -1.418 1.00 0.00 C ATOM 887 NE1 TRP A 54 -4.053 2.097 -0.544 1.00 0.00 N ATOM 888 CE2 TRP A 54 -3.099 1.145 -0.276 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.194 -0.771 -1.437 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.226 0.949 0.804 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.302 -0.968 -0.366 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.329 -0.128 0.761 1.00 0.00 C ATOM 0 H TRP A 54 -5.664 -0.036 -5.901 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.920 1.803 -4.751 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.713 0.301 -3.708 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.458 -0.917 -3.600 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.384 2.539 -2.220 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.293 2.861 0.087 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.164 -1.439 -2.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.244 1.616 1.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.587 -1.776 -0.411 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.662 -0.311 1.590 1.00 0.00 H new ATOM 903 N PHE A 55 -2.458 -1.039 -5.628 1.00 0.00 N ATOM 904 CA PHE A 55 -1.195 -1.689 -5.951 1.00 0.00 C ATOM 905 C PHE A 55 -0.404 -1.013 -7.080 1.00 0.00 C ATOM 906 O PHE A 55 0.784 -1.321 -7.206 1.00 0.00 O ATOM 907 CB PHE A 55 -1.444 -3.148 -6.345 1.00 0.00 C ATOM 908 CG PHE A 55 -2.271 -3.966 -5.377 1.00 0.00 C ATOM 909 CD1 PHE A 55 -1.924 -4.042 -4.014 1.00 0.00 C ATOM 910 CD2 PHE A 55 -3.409 -4.643 -5.847 1.00 0.00 C ATOM 911 CE1 PHE A 55 -2.736 -4.770 -3.128 1.00 0.00 C ATOM 912 CE2 PHE A 55 -4.192 -5.406 -4.971 1.00 0.00 C ATOM 913 CZ PHE A 55 -3.867 -5.454 -3.605 1.00 0.00 C ATOM 0 H PHE A 55 -3.273 -1.613 -5.844 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.591 -1.611 -5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.939 -3.162 -7.316 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.479 -3.639 -6.472 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.038 -3.543 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.682 -4.575 -6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.490 -4.804 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.043 -5.956 -5.345 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.486 -6.016 -2.922 1.00 0.00 H new ATOM 923 N GLN A 56 -0.955 -0.107 -7.907 1.00 0.00 N ATOM 924 CA GLN A 56 -0.120 0.660 -8.811 1.00 0.00 C ATOM 925 C GLN A 56 0.814 1.582 -8.011 1.00 0.00 C ATOM 926 O GLN A 56 1.949 1.849 -8.406 1.00 0.00 O ATOM 927 CB GLN A 56 -0.955 1.389 -9.850 1.00 0.00 C ATOM 928 CG GLN A 56 -1.317 2.851 -9.574 1.00 0.00 C ATOM 929 CD GLN A 56 -1.923 3.414 -10.836 1.00 0.00 C ATOM 930 OE1 GLN A 56 -2.866 2.697 -11.415 1.00 0.00 O flip ATOM 931 NE2 GLN A 56 -1.484 4.444 -11.328 1.00 0.00 N flip ATOM 0 H GLN A 56 -1.952 0.100 -7.959 1.00 0.00 H new ATOM 0 HA GLN A 56 0.518 -0.018 -9.378 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.419 1.349 -10.799 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.883 0.833 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.022 2.922 -8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.431 3.418 -9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.754 4.969 -10.846 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.848 4.779 -12.220 1.00 0.00 H new ATOM 940 N ASN A 57 0.327 2.102 -6.880 1.00 0.00 N ATOM 941 CA ASN A 57 0.973 3.190 -6.156 1.00 0.00 C ATOM 942 C ASN A 57 2.180 2.688 -5.375 1.00 0.00 C ATOM 943 O ASN A 57 3.179 3.401 -5.266 1.00 0.00 O ATOM 944 CB ASN A 57 0.002 3.901 -5.204 1.00 0.00 C ATOM 945 CG ASN A 57 -1.185 4.492 -5.942 1.00 0.00 C ATOM 946 OD1 ASN A 57 -1.129 5.604 -6.465 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.269 3.748 -6.043 1.00 0.00 N ATOM 0 H ASN A 57 -0.534 1.774 -6.442 1.00 0.00 H new ATOM 0 HA ASN A 57 1.306 3.910 -6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.353 3.195 -4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.530 4.693 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.077 4.092 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.299 2.828 -5.603 1.00 0.00 H new ATOM 954 N ARG A 58 2.108 1.450 -4.870 1.00 0.00 N ATOM 955 CA ARG A 58 3.016 0.874 -3.873 1.00 0.00 C ATOM 956 C ARG A 58 4.483 0.729 -4.293 1.00 0.00 C ATOM 957 O ARG A 58 5.308 0.227 -3.535 1.00 0.00 O ATOM 958 CB ARG A 58 2.419 -0.443 -3.347 1.00 0.00 C ATOM 959 CG ARG A 58 2.454 -1.686 -4.257 1.00 0.00 C ATOM 960 CD ARG A 58 3.712 -2.550 -4.067 1.00 0.00 C ATOM 961 NE ARG A 58 3.483 -3.943 -4.488 1.00 0.00 N ATOM 962 CZ ARG A 58 4.384 -4.934 -4.486 1.00 0.00 C ATOM 963 NH1 ARG A 58 5.655 -4.684 -4.185 1.00 0.00 N ATOM 964 NH2 ARG A 58 3.993 -6.156 -4.812 1.00 0.00 N ATOM 0 H ARG A 58 1.382 0.794 -5.159 1.00 0.00 H new ATOM 0 HA ARG A 58 3.082 1.607 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.938 -0.695 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.378 -0.253 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.572 -2.295 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.396 -1.367 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.535 -2.126 -4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.012 -2.531 -3.019 1.00 0.00 H new ATOM 0 HE ARG A 58 2.545 -4.176 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.947 -3.734 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.338 -5.442 -4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.019 -6.331 -5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.666 -6.923 -4.816 1.00 0.00 H new