USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 402 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 25 TYR OH : rot 180:sc= -0.449 USER MOD Set 1.2: A 29 ASN : amide:sc= 0.00691 K(o=-0.44,f=-1.8) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -0.358 (180deg=-1.37!) USER MOD Single : A 16 HIS : no HD1:sc= -0.0901 X(o=-0.09,f=-0.23) USER MOD Single : A 17 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 18 GLN : amide:sc= -2.05! K(o=-2!,f=-1.3) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -153:sc= -0.0406 (180deg=-0.0928) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 95:sc= 1.01 USER MOD Single : A 30 HIS : no HD1:sc= -2.9! K(o=-2.9!,f=-0.6) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 35 LYS NZ :NH3+ -131:sc=-0.00616 (180deg=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -0.631 (180deg=-1.21) USER MOD Single : A 39 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.13) USER MOD Single : A 42 GLN : amide:sc= -0.0751 K(o=-0.075,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -59:sc= 0.248 USER MOD Single : A 47 THR OG1 : rot -179:sc= -4.05! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.251 -0.885 -0.799 1.00 0.00 N ATOM 179 CA PHE A 14 -11.946 -1.606 0.431 1.00 0.00 C ATOM 180 C PHE A 14 -12.695 -1.001 1.615 1.00 0.00 C ATOM 181 O PHE A 14 -13.401 -0.002 1.474 1.00 0.00 O ATOM 182 CB PHE A 14 -10.440 -1.584 0.700 1.00 0.00 C ATOM 183 CG PHE A 14 -9.631 -2.272 -0.361 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.724 -3.641 -0.544 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.777 -1.547 -1.178 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.980 -4.277 -1.521 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.032 -2.177 -2.156 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.133 -3.543 -2.328 1.00 0.00 C ATOM 0 HA PHE A 14 -12.270 -2.639 0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.109 -0.549 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.244 -2.060 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.386 -4.219 0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.693 -0.478 -1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.061 -5.346 -1.653 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.371 -1.601 -2.786 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.551 -4.037 -3.092 1.00 0.00 H new ATOM 198 N LYS A 15 -12.537 -1.615 2.782 1.00 0.00 N ATOM 199 CA LYS A 15 -13.196 -1.139 3.993 1.00 0.00 C ATOM 200 C LYS A 15 -12.282 -0.204 4.779 1.00 0.00 C ATOM 201 O LYS A 15 -11.091 -0.093 4.487 1.00 0.00 O ATOM 202 CB LYS A 15 -13.610 -2.321 4.871 1.00 0.00 C ATOM 203 CG LYS A 15 -14.352 -3.410 4.115 1.00 0.00 C ATOM 204 CD LYS A 15 -15.842 -3.123 4.042 1.00 0.00 C ATOM 205 CE LYS A 15 -16.575 -3.666 5.259 1.00 0.00 C ATOM 206 NZ LYS A 15 -16.545 -2.709 6.399 1.00 0.00 N ATOM 0 H LYS A 15 -11.958 -2.444 2.915 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.086 -0.584 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.720 -2.751 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.242 -1.957 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.947 -3.494 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.189 -4.370 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.003 -2.047 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.256 -3.569 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.610 -3.881 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.122 -4.609 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.394 -2.840 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.697 -2.882 6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.523 -1.735 6.034 1.00 0.00 H new ATOM 220 N HIS A 16 -12.847 0.466 5.779 1.00 0.00 N ATOM 221 CA HIS A 16 -12.082 1.389 6.608 1.00 0.00 C ATOM 222 C HIS A 16 -11.402 0.652 7.757 1.00 0.00 C ATOM 223 O HIS A 16 -10.399 1.117 8.300 1.00 0.00 O ATOM 224 CB HIS A 16 -12.992 2.488 7.159 1.00 0.00 C ATOM 225 CG HIS A 16 -13.231 3.608 6.194 1.00 0.00 C ATOM 226 ND1 HIS A 16 -12.233 4.160 5.419 1.00 0.00 N ATOM 227 CD2 HIS A 16 -14.364 4.278 5.878 1.00 0.00 C ATOM 228 CE1 HIS A 16 -12.740 5.122 4.671 1.00 0.00 C ATOM 229 NE2 HIS A 16 -14.032 5.215 4.930 1.00 0.00 N ATOM 0 H HIS A 16 -13.831 0.386 6.034 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.312 1.844 5.985 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.950 2.049 7.438 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.549 2.892 8.069 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.346 4.108 6.294 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.192 5.730 3.967 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.678 5.875 4.497 1.00 0.00 H new ATOM 238 N HIS A 17 -11.955 -0.499 8.126 1.00 0.00 N ATOM 239 CA HIS A 17 -11.403 -1.301 9.212 1.00 0.00 C ATOM 240 C HIS A 17 -10.091 -1.957 8.789 1.00 0.00 C ATOM 241 O HIS A 17 -9.031 -1.655 9.338 1.00 0.00 O ATOM 242 CB HIS A 17 -12.405 -2.371 9.645 1.00 0.00 C ATOM 243 CG HIS A 17 -13.587 -1.821 10.382 1.00 0.00 C ATOM 244 ND1 HIS A 17 -14.149 -2.446 11.476 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.312 -0.696 10.179 1.00 0.00 C ATOM 246 CE1 HIS A 17 -15.170 -1.730 11.912 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.290 -0.664 11.143 1.00 0.00 N ATOM 0 H HIS A 17 -12.786 -0.897 7.688 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.204 -0.639 10.055 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.755 -2.908 8.763 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.897 -3.097 10.280 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.151 0.039 9.404 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.800 -1.975 12.755 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.995 0.066 11.248 1.00 0.00 H new ATOM 256 N GLN A 18 -10.171 -2.853 7.812 1.00 0.00 N ATOM 257 CA GLN A 18 -8.991 -3.552 7.318 1.00 0.00 C ATOM 258 C GLN A 18 -7.906 -2.562 6.905 1.00 0.00 C ATOM 259 O GLN A 18 -6.749 -2.690 7.310 1.00 0.00 O ATOM 260 CB GLN A 18 -9.360 -4.446 6.133 1.00 0.00 C ATOM 261 CG GLN A 18 -10.526 -3.919 5.313 1.00 0.00 C ATOM 262 CD GLN A 18 -10.441 -4.318 3.853 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.150 -5.218 3.401 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.571 -3.648 3.105 1.00 0.00 N ATOM 0 H GLN A 18 -11.041 -3.112 7.346 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.603 -4.173 8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.490 -4.553 5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.607 -5.441 6.503 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.459 -4.293 5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.555 -2.832 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.003 -2.909 3.521 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.471 -3.872 2.115 1.00 0.00 H new ATOM 273 N LEU A 19 -8.285 -1.577 6.099 1.00 0.00 N ATOM 274 CA LEU A 19 -7.345 -0.566 5.631 1.00 0.00 C ATOM 275 C LEU A 19 -6.622 0.090 6.804 1.00 0.00 C ATOM 276 O LEU A 19 -5.399 0.221 6.797 1.00 0.00 O ATOM 277 CB LEU A 19 -8.075 0.496 4.808 1.00 0.00 C ATOM 278 CG LEU A 19 -8.176 0.230 3.306 1.00 0.00 C ATOM 279 CD1 LEU A 19 -9.042 1.283 2.634 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.791 0.196 2.676 1.00 0.00 C ATOM 0 H LEU A 19 -9.238 -1.457 5.756 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.604 -1.058 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.084 0.605 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.570 1.451 4.954 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.644 -0.743 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.102 1.077 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.043 1.260 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.603 2.268 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.882 0.006 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.296 1.154 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.201 -0.596 3.137 1.00 0.00 H new ATOM 292 N ARG A 20 -7.389 0.499 7.809 1.00 0.00 N ATOM 293 CA ARG A 20 -6.822 1.141 8.990 1.00 0.00 C ATOM 294 C ARG A 20 -5.508 0.478 9.391 1.00 0.00 C ATOM 295 O ARG A 20 -4.542 1.153 9.744 1.00 0.00 O ATOM 296 CB ARG A 20 -7.813 1.080 10.154 1.00 0.00 C ATOM 297 CG ARG A 20 -7.440 1.983 11.318 1.00 0.00 C ATOM 298 CD ARG A 20 -8.008 3.383 11.143 1.00 0.00 C ATOM 299 NE ARG A 20 -7.204 4.390 11.829 1.00 0.00 N ATOM 300 CZ ARG A 20 -7.274 5.690 11.566 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.107 6.138 10.637 1.00 0.00 N ATOM 302 NH2 ARG A 20 -6.509 6.545 12.233 1.00 0.00 N ATOM 0 H ARG A 20 -8.404 0.398 7.830 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.622 2.184 8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.803 1.358 9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.880 0.052 10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.812 1.552 12.248 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.355 2.038 11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.060 3.623 10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.028 3.411 11.526 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.553 4.078 12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.696 5.484 10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.159 7.137 10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.867 6.204 12.948 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.563 7.543 12.030 1.00 0.00 H new ATOM 316 N THR A 21 -5.479 -0.851 9.334 1.00 0.00 N ATOM 317 CA THR A 21 -4.285 -1.605 9.692 1.00 0.00 C ATOM 318 C THR A 21 -3.250 -1.559 8.575 1.00 0.00 C ATOM 319 O THR A 21 -2.049 -1.483 8.831 1.00 0.00 O ATOM 320 CB THR A 21 -4.622 -3.075 10.004 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.248 -3.172 11.289 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.368 -3.935 9.978 1.00 0.00 C ATOM 0 H THR A 21 -6.270 -1.426 9.043 1.00 0.00 H new ATOM 0 HA THR A 21 -3.872 -1.137 10.585 1.00 0.00 H new ATOM 0 HB THR A 21 -5.308 -3.438 9.238 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.461 -4.110 11.479 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.631 -4.969 10.201 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.911 -3.882 8.990 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.662 -3.571 10.724 1.00 0.00 H new ATOM 330 N MET A 22 -3.723 -1.606 7.333 1.00 0.00 N ATOM 331 CA MET A 22 -2.836 -1.568 6.176 1.00 0.00 C ATOM 332 C MET A 22 -2.174 -0.199 6.043 1.00 0.00 C ATOM 333 O MET A 22 -0.950 -0.081 6.106 1.00 0.00 O ATOM 334 CB MET A 22 -3.613 -1.897 4.900 1.00 0.00 C ATOM 335 CG MET A 22 -4.244 -3.279 4.913 1.00 0.00 C ATOM 336 SD MET A 22 -5.745 -3.368 3.917 1.00 0.00 S ATOM 337 CE MET A 22 -5.058 -3.304 2.264 1.00 0.00 C ATOM 0 H MET A 22 -4.715 -1.670 7.103 1.00 0.00 H new ATOM 0 HA MET A 22 -2.057 -2.316 6.322 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.395 -1.151 4.758 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.941 -1.821 4.045 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.523 -4.007 4.541 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.478 -3.558 5.941 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.793 -2.878 1.581 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.162 -2.684 2.266 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.801 -4.312 1.938 1.00 0.00 H new ATOM 347 N LYS A 23 -2.991 0.832 5.859 1.00 0.00 N ATOM 348 CA LYS A 23 -2.486 2.193 5.719 1.00 0.00 C ATOM 349 C LYS A 23 -1.422 2.490 6.771 1.00 0.00 C ATOM 350 O LYS A 23 -0.352 3.010 6.456 1.00 0.00 O ATOM 351 CB LYS A 23 -3.633 3.200 5.839 1.00 0.00 C ATOM 352 CG LYS A 23 -4.707 3.027 4.780 1.00 0.00 C ATOM 353 CD LYS A 23 -5.983 3.762 5.155 1.00 0.00 C ATOM 354 CE LYS A 23 -5.917 5.229 4.759 1.00 0.00 C ATOM 355 NZ LYS A 23 -6.916 6.049 5.499 1.00 0.00 N ATOM 0 H LYS A 23 -4.006 0.751 5.803 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.032 2.285 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.088 3.104 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.228 4.210 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.339 3.399 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.922 1.967 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.834 3.289 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.149 3.681 6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.916 5.613 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.092 5.324 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.839 7.042 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.873 5.699 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.734 5.979 6.521 1.00 0.00 H new ATOM 369 N SER A 24 -1.724 2.156 8.021 1.00 0.00 N ATOM 370 CA SER A 24 -0.794 2.388 9.120 1.00 0.00 C ATOM 371 C SER A 24 0.554 1.730 8.841 1.00 0.00 C ATOM 372 O SER A 24 1.600 2.231 9.254 1.00 0.00 O ATOM 373 CB SER A 24 -1.375 1.851 10.430 1.00 0.00 C ATOM 374 OG SER A 24 -2.462 2.646 10.869 1.00 0.00 O ATOM 0 H SER A 24 -2.605 1.724 8.298 1.00 0.00 H new ATOM 0 HA SER A 24 -0.641 3.463 9.212 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.706 0.822 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.600 1.835 11.196 1.00 0.00 H new ATOM 0 HG SER A 24 -3.303 2.255 10.551 1.00 0.00 H new ATOM 380 N TYR A 25 0.521 0.605 8.137 1.00 0.00 N ATOM 381 CA TYR A 25 1.738 -0.125 7.803 1.00 0.00 C ATOM 382 C TYR A 25 2.478 0.548 6.651 1.00 0.00 C ATOM 383 O TYR A 25 3.691 0.750 6.710 1.00 0.00 O ATOM 384 CB TYR A 25 1.406 -1.572 7.435 1.00 0.00 C ATOM 385 CG TYR A 25 2.625 -2.454 7.284 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.422 -2.383 6.148 1.00 0.00 C ATOM 387 CD2 TYR A 25 2.981 -3.355 8.279 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.536 -3.187 6.006 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.095 -4.163 8.146 1.00 0.00 C ATOM 390 CZ TYR A 25 4.869 -4.075 7.007 1.00 0.00 C ATOM 391 OH TYR A 25 5.978 -4.877 6.871 1.00 0.00 O ATOM 0 H TYR A 25 -0.336 0.178 7.786 1.00 0.00 H new ATOM 0 HA TYR A 25 2.386 -0.120 8.679 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.756 -1.993 8.202 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.844 -1.581 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.166 -1.687 5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.377 -3.426 9.172 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.143 -3.121 5.115 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.358 -4.859 8.929 1.00 0.00 H new ATOM 0 HH TYR A 25 6.071 -5.443 7.665 1.00 0.00 H new ATOM 401 N PHE A 26 1.738 0.894 5.603 1.00 0.00 N ATOM 402 CA PHE A 26 2.322 1.544 4.436 1.00 0.00 C ATOM 403 C PHE A 26 3.312 2.627 4.855 1.00 0.00 C ATOM 404 O PHE A 26 4.290 2.891 4.158 1.00 0.00 O ATOM 405 CB PHE A 26 1.224 2.153 3.562 1.00 0.00 C ATOM 406 CG PHE A 26 1.744 3.086 2.507 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.892 2.777 1.795 1.00 0.00 C ATOM 408 CD2 PHE A 26 1.088 4.275 2.229 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.375 3.634 0.823 1.00 0.00 C ATOM 410 CE2 PHE A 26 1.566 5.136 1.258 1.00 0.00 C ATOM 411 CZ PHE A 26 2.710 4.815 0.556 1.00 0.00 C ATOM 0 H PHE A 26 0.733 0.735 5.538 1.00 0.00 H new ATOM 0 HA PHE A 26 2.858 0.789 3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.666 1.349 3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.522 2.692 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.416 1.856 2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.193 4.532 2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.270 3.381 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.045 6.059 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.085 5.487 -0.202 1.00 0.00 H new ATOM 421 N ALA A 27 3.048 3.250 5.999 1.00 0.00 N ATOM 422 CA ALA A 27 3.916 4.303 6.512 1.00 0.00 C ATOM 423 C ALA A 27 5.197 3.721 7.099 1.00 0.00 C ATOM 424 O ALA A 27 6.284 4.266 6.904 1.00 0.00 O ATOM 425 CB ALA A 27 3.181 5.129 7.558 1.00 0.00 C ATOM 0 H ALA A 27 2.241 3.044 6.588 1.00 0.00 H new ATOM 0 HA ALA A 27 4.191 4.951 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.841 5.912 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.298 5.583 7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.877 4.485 8.383 1.00 0.00 H new ATOM 431 N ILE A 28 5.062 2.612 7.819 1.00 0.00 N ATOM 432 CA ILE A 28 6.209 1.957 8.434 1.00 0.00 C ATOM 433 C ILE A 28 7.071 1.260 7.387 1.00 0.00 C ATOM 434 O ILE A 28 8.291 1.420 7.366 1.00 0.00 O ATOM 435 CB ILE A 28 5.770 0.925 9.489 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.741 1.542 10.440 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.975 0.413 10.263 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.829 0.523 11.086 1.00 0.00 C ATOM 0 H ILE A 28 4.170 2.149 7.990 1.00 0.00 H new ATOM 0 HA ILE A 28 6.793 2.738 8.922 1.00 0.00 H new ATOM 0 HB ILE A 28 5.306 0.081 8.979 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.265 2.095 11.220 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.136 2.262 9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.648 -0.316 11.005 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.676 -0.059 9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.466 1.247 10.765 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.126 1.031 11.746 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.278 -0.014 10.314 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.425 -0.183 11.664 1.00 0.00 H new ATOM 450 N ASN A 29 6.428 0.489 6.517 1.00 0.00 N ATOM 451 CA ASN A 29 7.136 -0.231 5.464 1.00 0.00 C ATOM 452 C ASN A 29 6.257 -0.388 4.227 1.00 0.00 C ATOM 453 O ASN A 29 5.038 -0.521 4.331 1.00 0.00 O ATOM 454 CB ASN A 29 7.577 -1.607 5.968 1.00 0.00 C ATOM 455 CG ASN A 29 8.559 -2.279 5.027 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.329 -1.611 4.335 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.537 -3.606 4.999 1.00 0.00 N ATOM 0 H ASN A 29 5.418 0.346 6.520 1.00 0.00 H new ATOM 0 HA ASN A 29 8.017 0.349 5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.035 -1.501 6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.701 -2.244 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.175 -4.114 4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.882 -4.118 5.590 1.00 0.00 H new ATOM 464 N HIS A 30 6.887 -0.372 3.056 1.00 0.00 N ATOM 465 CA HIS A 30 6.163 -0.512 1.797 1.00 0.00 C ATOM 466 C HIS A 30 6.513 -1.832 1.114 1.00 0.00 C ATOM 467 O HIS A 30 5.765 -2.321 0.269 1.00 0.00 O ATOM 468 CB HIS A 30 6.481 0.658 0.867 1.00 0.00 C ATOM 469 CG HIS A 30 7.852 1.227 1.069 1.00 0.00 C ATOM 470 ND1 HIS A 30 8.783 1.327 0.057 1.00 0.00 N ATOM 471 CD2 HIS A 30 8.447 1.730 2.175 1.00 0.00 C ATOM 472 CE1 HIS A 30 9.892 1.865 0.532 1.00 0.00 C ATOM 473 NE2 HIS A 30 9.714 2.120 1.815 1.00 0.00 N ATOM 0 H HIS A 30 7.896 -0.264 2.953 1.00 0.00 H new ATOM 0 HA HIS A 30 5.096 -0.509 2.018 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.382 0.327 -0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 30 5.743 1.445 1.021 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.008 1.810 3.158 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.791 2.063 -0.033 1.00 0.00 H new ATOM 0 HE2 HIS A 30 10.405 2.539 2.438 1.00 0.00 H new ATOM 482 N ASN A 31 7.654 -2.400 1.486 1.00 0.00 N ATOM 483 CA ASN A 31 8.105 -3.661 0.908 1.00 0.00 C ATOM 484 C ASN A 31 8.209 -4.743 1.979 1.00 0.00 C ATOM 485 O ASN A 31 9.299 -5.167 2.363 1.00 0.00 O ATOM 486 CB ASN A 31 9.458 -3.476 0.219 1.00 0.00 C ATOM 487 CG ASN A 31 9.345 -2.707 -1.082 1.00 0.00 C ATOM 488 OD1 ASN A 31 8.708 -3.162 -2.032 1.00 0.00 O ATOM 489 ND2 ASN A 31 9.963 -1.533 -1.131 1.00 0.00 N ATOM 0 H ASN A 31 8.284 -2.008 2.185 1.00 0.00 H new ATOM 0 HA ASN A 31 7.370 -3.977 0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.136 -2.950 0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.899 -4.453 0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.921 -0.970 -1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.480 -1.194 -0.319 1.00 0.00 H new ATOM 496 N PRO A 32 7.049 -5.203 2.471 1.00 0.00 N ATOM 497 CA PRO A 32 6.984 -6.242 3.503 1.00 0.00 C ATOM 498 C PRO A 32 7.414 -7.607 2.979 1.00 0.00 C ATOM 499 O PRO A 32 7.359 -7.867 1.777 1.00 0.00 O ATOM 500 CB PRO A 32 5.503 -6.261 3.893 1.00 0.00 C ATOM 501 CG PRO A 32 4.789 -5.746 2.693 1.00 0.00 C ATOM 502 CD PRO A 32 5.713 -4.742 2.059 1.00 0.00 C ATOM 0 HA PRO A 32 7.656 -6.033 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.174 -7.268 4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.315 -5.634 4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.557 -6.555 2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.842 -5.283 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.609 -4.729 0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.510 -3.731 2.411 1.00 0.00 H new ATOM 510 N ASP A 33 7.843 -8.477 3.887 1.00 0.00 N ATOM 511 CA ASP A 33 8.281 -9.817 3.516 1.00 0.00 C ATOM 512 C ASP A 33 7.136 -10.818 3.642 1.00 0.00 C ATOM 513 O ASP A 33 6.125 -10.541 4.287 1.00 0.00 O ATOM 514 CB ASP A 33 9.455 -10.254 4.392 1.00 0.00 C ATOM 515 CG ASP A 33 10.750 -9.563 4.010 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.737 -8.325 3.852 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.776 -10.261 3.869 1.00 0.00 O ATOM 0 H ASP A 33 7.897 -8.278 4.886 1.00 0.00 H new ATOM 0 HA ASP A 33 8.604 -9.791 2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.226 -10.039 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.584 -11.333 4.310 1.00 0.00 H new ATOM 522 N ALA A 34 7.302 -11.981 3.021 1.00 0.00 N ATOM 523 CA ALA A 34 6.285 -13.023 3.066 1.00 0.00 C ATOM 524 C ALA A 34 5.685 -13.146 4.462 1.00 0.00 C ATOM 525 O ALA A 34 4.467 -13.221 4.623 1.00 0.00 O ATOM 526 CB ALA A 34 6.872 -14.355 2.622 1.00 0.00 C ATOM 0 H ALA A 34 8.132 -12.225 2.481 1.00 0.00 H new ATOM 0 HA ALA A 34 5.486 -12.744 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.100 -15.124 2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.245 -14.266 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.692 -14.630 3.285 1.00 0.00 H new ATOM 532 N LYS A 35 6.549 -13.168 5.472 1.00 0.00 N ATOM 533 CA LYS A 35 6.106 -13.282 6.856 1.00 0.00 C ATOM 534 C LYS A 35 5.122 -12.170 7.205 1.00 0.00 C ATOM 535 O LYS A 35 4.074 -12.419 7.802 1.00 0.00 O ATOM 536 CB LYS A 35 7.307 -13.231 7.803 1.00 0.00 C ATOM 537 CG LYS A 35 6.937 -13.426 9.264 1.00 0.00 C ATOM 538 CD LYS A 35 6.613 -12.103 9.939 1.00 0.00 C ATOM 539 CE LYS A 35 6.377 -12.282 11.431 1.00 0.00 C ATOM 540 NZ LYS A 35 5.657 -11.120 12.021 1.00 0.00 N ATOM 0 H LYS A 35 7.561 -13.108 5.357 1.00 0.00 H new ATOM 0 HA LYS A 35 5.600 -14.240 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.022 -14.001 7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.809 -12.270 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.078 -14.093 9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.761 -13.910 9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.433 -11.402 9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.727 -11.666 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.800 -13.191 11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.334 -12.412 11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.154 -10.803 12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.627 -10.343 11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.687 -11.402 12.268 1.00 0.00 H new ATOM 554 N ASP A 36 5.464 -10.942 6.828 1.00 0.00 N ATOM 555 CA ASP A 36 4.610 -9.793 7.100 1.00 0.00 C ATOM 556 C ASP A 36 3.338 -9.850 6.260 1.00 0.00 C ATOM 557 O ASP A 36 2.253 -9.512 6.732 1.00 0.00 O ATOM 558 CB ASP A 36 5.364 -8.492 6.817 1.00 0.00 C ATOM 559 CG ASP A 36 6.710 -8.440 7.513 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.735 -8.485 8.761 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.738 -8.356 6.809 1.00 0.00 O ATOM 0 H ASP A 36 6.327 -10.718 6.333 1.00 0.00 H new ATOM 0 HA ASP A 36 4.330 -9.821 8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.510 -8.386 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.758 -7.646 7.141 1.00 0.00 H new ATOM 566 N LEU A 37 3.479 -10.281 5.011 1.00 0.00 N ATOM 567 CA LEU A 37 2.341 -10.383 4.102 1.00 0.00 C ATOM 568 C LEU A 37 1.270 -11.305 4.674 1.00 0.00 C ATOM 569 O LEU A 37 0.107 -10.919 4.802 1.00 0.00 O ATOM 570 CB LEU A 37 2.799 -10.897 2.737 1.00 0.00 C ATOM 571 CG LEU A 37 3.381 -9.851 1.785 1.00 0.00 C ATOM 572 CD1 LEU A 37 4.142 -10.523 0.654 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.277 -8.961 1.233 1.00 0.00 C ATOM 0 H LEU A 37 4.370 -10.566 4.604 1.00 0.00 H new ATOM 0 HA LEU A 37 1.911 -9.389 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.549 -11.671 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.949 -11.372 2.247 1.00 0.00 H new ATOM 0 HG LEU A 37 4.079 -9.227 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.549 -9.763 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.957 -11.117 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.467 -11.171 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.709 -8.222 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.555 -9.571 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.775 -8.451 2.055 1.00 0.00 H new ATOM 585 N LYS A 38 1.669 -12.525 5.018 1.00 0.00 N ATOM 586 CA LYS A 38 0.744 -13.503 5.579 1.00 0.00 C ATOM 587 C LYS A 38 0.124 -12.984 6.873 1.00 0.00 C ATOM 588 O LYS A 38 -1.013 -13.320 7.203 1.00 0.00 O ATOM 589 CB LYS A 38 1.467 -14.827 5.841 1.00 0.00 C ATOM 590 CG LYS A 38 2.480 -14.752 6.970 1.00 0.00 C ATOM 591 CD LYS A 38 2.694 -16.111 7.617 1.00 0.00 C ATOM 592 CE LYS A 38 4.088 -16.231 8.214 1.00 0.00 C ATOM 593 NZ LYS A 38 5.096 -16.634 7.194 1.00 0.00 N ATOM 0 H LYS A 38 2.627 -12.860 4.918 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.054 -13.669 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.729 -15.594 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.974 -15.141 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.429 -14.378 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.138 -14.040 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.948 -16.265 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.546 -16.896 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.378 -15.277 8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.075 -16.963 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.023 -16.236 7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.162 -17.671 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.808 -16.276 6.261 1.00 0.00 H new ATOM 607 N GLN A 39 0.878 -12.166 7.599 1.00 0.00 N ATOM 608 CA GLN A 39 0.401 -11.602 8.856 1.00 0.00 C ATOM 609 C GLN A 39 -0.778 -10.664 8.619 1.00 0.00 C ATOM 610 O GLN A 39 -1.765 -10.693 9.355 1.00 0.00 O ATOM 611 CB GLN A 39 1.530 -10.852 9.565 1.00 0.00 C ATOM 612 CG GLN A 39 2.469 -11.760 10.343 1.00 0.00 C ATOM 613 CD GLN A 39 1.867 -12.239 11.649 1.00 0.00 C ATOM 614 OE1 GLN A 39 1.186 -13.265 11.693 1.00 0.00 O ATOM 615 NE2 GLN A 39 2.114 -11.498 12.722 1.00 0.00 N ATOM 0 H GLN A 39 1.822 -11.879 7.339 1.00 0.00 H new ATOM 0 HA GLN A 39 0.067 -12.424 9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.106 -10.296 8.825 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.097 -10.121 10.247 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.727 -12.622 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.397 -11.226 10.549 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.683 -10.656 12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.735 -11.771 13.629 1.00 0.00 H new ATOM 624 N LEU A 40 -0.669 -9.833 7.588 1.00 0.00 N ATOM 625 CA LEU A 40 -1.726 -8.886 7.254 1.00 0.00 C ATOM 626 C LEU A 40 -2.954 -9.609 6.711 1.00 0.00 C ATOM 627 O LEU A 40 -4.081 -9.331 7.120 1.00 0.00 O ATOM 628 CB LEU A 40 -1.221 -7.871 6.226 1.00 0.00 C ATOM 629 CG LEU A 40 -0.306 -6.770 6.762 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.576 -6.221 5.652 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.126 -5.655 7.395 1.00 0.00 C ATOM 0 H LEU A 40 0.141 -9.796 6.969 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.011 -8.361 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.687 -8.411 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.084 -7.401 5.755 1.00 0.00 H new ATOM 0 HG LEU A 40 0.337 -7.201 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.220 -5.438 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.191 -7.024 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.050 -5.807 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.458 -4.880 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.795 -5.226 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.714 -6.059 8.220 1.00 0.00 H new ATOM 643 N ALA A 41 -2.727 -10.539 5.790 1.00 0.00 N ATOM 644 CA ALA A 41 -3.814 -11.306 5.195 1.00 0.00 C ATOM 645 C ALA A 41 -4.841 -11.713 6.247 1.00 0.00 C ATOM 646 O ALA A 41 -6.021 -11.880 5.944 1.00 0.00 O ATOM 647 CB ALA A 41 -3.267 -12.536 4.485 1.00 0.00 C ATOM 0 H ALA A 41 -1.800 -10.780 5.440 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.314 -10.671 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.091 -13.099 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.579 -12.226 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.739 -13.165 5.202 1.00 0.00 H new ATOM 653 N GLN A 42 -4.381 -11.870 7.484 1.00 0.00 N ATOM 654 CA GLN A 42 -5.260 -12.259 8.581 1.00 0.00 C ATOM 655 C GLN A 42 -5.843 -11.032 9.272 1.00 0.00 C ATOM 656 O GLN A 42 -7.057 -10.919 9.442 1.00 0.00 O ATOM 657 CB GLN A 42 -4.497 -13.116 9.593 1.00 0.00 C ATOM 658 CG GLN A 42 -4.148 -14.502 9.076 1.00 0.00 C ATOM 659 CD GLN A 42 -5.325 -15.455 9.122 1.00 0.00 C ATOM 660 OE1 GLN A 42 -6.288 -15.308 8.369 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.255 -16.442 10.009 1.00 0.00 N ATOM 0 H GLN A 42 -3.406 -11.734 7.752 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.081 -12.844 8.167 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.579 -12.600 9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.097 -13.215 10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.789 -14.423 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.330 -14.912 9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.438 -16.527 10.614 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.018 -17.115 10.085 1.00 0.00 H new ATOM 670 N LYS A 43 -4.970 -10.112 9.670 1.00 0.00 N ATOM 671 CA LYS A 43 -5.396 -8.891 10.344 1.00 0.00 C ATOM 672 C LYS A 43 -6.488 -8.183 9.546 1.00 0.00 C ATOM 673 O LYS A 43 -7.377 -7.550 10.115 1.00 0.00 O ATOM 674 CB LYS A 43 -4.205 -7.951 10.544 1.00 0.00 C ATOM 675 CG LYS A 43 -3.301 -8.353 11.695 1.00 0.00 C ATOM 676 CD LYS A 43 -2.550 -7.157 12.257 1.00 0.00 C ATOM 677 CE LYS A 43 -1.218 -7.571 12.864 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.778 -6.631 13.931 1.00 0.00 N ATOM 0 H LYS A 43 -3.962 -10.189 9.537 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.801 -9.165 11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.619 -7.921 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.575 -6.941 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.897 -8.813 12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.588 -9.104 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.379 -6.428 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.160 -6.666 13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.304 -8.576 13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.460 -7.613 12.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.133 -6.948 14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.671 -5.677 13.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.489 -6.610 14.690 1.00 0.00 H new ATOM 692 N THR A 44 -6.415 -8.296 8.223 1.00 0.00 N ATOM 693 CA THR A 44 -7.396 -7.667 7.348 1.00 0.00 C ATOM 694 C THR A 44 -8.348 -8.701 6.756 1.00 0.00 C ATOM 695 O THR A 44 -9.553 -8.476 6.676 1.00 0.00 O ATOM 696 CB THR A 44 -6.714 -6.898 6.201 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.057 -7.814 5.319 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.705 -5.898 6.744 1.00 0.00 C ATOM 0 H THR A 44 -5.687 -8.817 7.735 1.00 0.00 H new ATOM 0 HA THR A 44 -7.962 -6.965 7.961 1.00 0.00 H new ATOM 0 HB THR A 44 -7.482 -6.353 5.652 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.391 -8.329 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.237 -5.367 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.213 -5.183 7.391 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.941 -6.426 7.315 1.00 0.00 H new ATOM 706 N GLY A 45 -7.795 -9.838 6.341 1.00 0.00 N ATOM 707 CA GLY A 45 -8.610 -10.890 5.762 1.00 0.00 C ATOM 708 C GLY A 45 -8.367 -11.059 4.275 1.00 0.00 C ATOM 709 O GLY A 45 -8.668 -12.109 3.705 1.00 0.00 O ATOM 0 H GLY A 45 -6.798 -10.048 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.399 -11.831 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.663 -10.665 5.932 1.00 0.00 H new ATOM 713 N LEU A 46 -7.825 -10.023 3.645 1.00 0.00 N ATOM 714 CA LEU A 46 -7.544 -10.061 2.214 1.00 0.00 C ATOM 715 C LEU A 46 -6.542 -11.163 1.884 1.00 0.00 C ATOM 716 O LEU A 46 -5.942 -11.761 2.779 1.00 0.00 O ATOM 717 CB LEU A 46 -7.005 -8.708 1.744 1.00 0.00 C ATOM 718 CG LEU A 46 -7.867 -7.491 2.076 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.115 -6.204 1.772 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.179 -7.539 1.305 1.00 0.00 C ATOM 0 H LEU A 46 -7.571 -9.147 4.102 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.476 -10.275 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.018 -8.560 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.870 -8.749 0.663 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.094 -7.512 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.745 -5.348 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.204 -6.165 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.856 -6.175 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.780 -6.664 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.972 -7.544 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.726 -8.443 1.573 1.00 0.00 H new ATOM 732 N THR A 47 -6.363 -11.426 0.593 1.00 0.00 N ATOM 733 CA THR A 47 -5.432 -12.454 0.145 1.00 0.00 C ATOM 734 C THR A 47 -4.018 -11.898 0.014 1.00 0.00 C ATOM 735 O THR A 47 -3.817 -10.684 -0.002 1.00 0.00 O ATOM 736 CB THR A 47 -5.864 -13.052 -1.207 1.00 0.00 C ATOM 737 OG1 THR A 47 -5.740 -12.067 -2.240 1.00 0.00 O ATOM 738 CG2 THR A 47 -7.300 -13.550 -1.144 1.00 0.00 C ATOM 0 H THR A 47 -6.851 -10.941 -0.160 1.00 0.00 H new ATOM 0 HA THR A 47 -5.441 -13.239 0.901 1.00 0.00 H new ATOM 0 HB THR A 47 -5.213 -13.897 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.030 -12.450 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.583 -13.968 -2.110 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.385 -14.320 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.963 -12.720 -0.900 1.00 0.00 H new ATOM 746 N LYS A 48 -3.042 -12.794 -0.081 1.00 0.00 N ATOM 747 CA LYS A 48 -1.646 -12.393 -0.213 1.00 0.00 C ATOM 748 C LYS A 48 -1.466 -11.424 -1.378 1.00 0.00 C ATOM 749 O LYS A 48 -1.020 -10.292 -1.191 1.00 0.00 O ATOM 750 CB LYS A 48 -0.758 -13.622 -0.417 1.00 0.00 C ATOM 751 CG LYS A 48 0.652 -13.451 0.122 1.00 0.00 C ATOM 752 CD LYS A 48 0.726 -13.779 1.604 1.00 0.00 C ATOM 753 CE LYS A 48 2.135 -14.169 2.018 1.00 0.00 C ATOM 754 NZ LYS A 48 2.377 -15.630 1.859 1.00 0.00 N ATOM 0 H LYS A 48 -3.192 -13.803 -0.069 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.351 -11.887 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.222 -14.480 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.706 -13.849 -1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.334 -14.098 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.983 -12.426 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.400 -12.916 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.040 -14.595 1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.856 -13.614 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.300 -13.885 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.349 -15.855 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.706 -16.160 2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.245 -15.897 0.863 1.00 0.00 H new ATOM 768 N ARG A 49 -1.816 -11.876 -2.577 1.00 0.00 N ATOM 769 CA ARG A 49 -1.693 -11.049 -3.771 1.00 0.00 C ATOM 770 C ARG A 49 -2.342 -9.685 -3.556 1.00 0.00 C ATOM 771 O ARG A 49 -1.726 -8.647 -3.801 1.00 0.00 O ATOM 772 CB ARG A 49 -2.336 -11.749 -4.970 1.00 0.00 C ATOM 773 CG ARG A 49 -2.414 -10.878 -6.214 1.00 0.00 C ATOM 774 CD ARG A 49 -1.144 -10.976 -7.043 1.00 0.00 C ATOM 775 NE ARG A 49 -0.957 -12.312 -7.602 1.00 0.00 N ATOM 776 CZ ARG A 49 0.196 -12.747 -8.099 1.00 0.00 C ATOM 777 NH1 ARG A 49 1.259 -11.954 -8.107 1.00 0.00 N ATOM 778 NH2 ARG A 49 0.287 -13.976 -8.589 1.00 0.00 N ATOM 0 H ARG A 49 -2.187 -12.811 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.632 -10.900 -3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.767 -12.649 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.342 -12.069 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.269 -11.181 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.581 -9.841 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.182 -10.247 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.285 -10.719 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.756 -12.946 -7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.192 -11.008 -7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.143 -12.290 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.529 -14.588 -8.585 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.173 -14.309 -8.970 1.00 0.00 H new ATOM 792 N VAL A 50 -3.590 -9.694 -3.098 1.00 0.00 N ATOM 793 CA VAL A 50 -4.322 -8.458 -2.851 1.00 0.00 C ATOM 794 C VAL A 50 -3.450 -7.437 -2.130 1.00 0.00 C ATOM 795 O VAL A 50 -3.307 -6.299 -2.578 1.00 0.00 O ATOM 796 CB VAL A 50 -5.590 -8.716 -2.014 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.196 -7.402 -1.544 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.601 -9.522 -2.814 1.00 0.00 C ATOM 0 H VAL A 50 -4.115 -10.544 -2.891 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.611 -8.061 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.312 -9.296 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.090 -7.604 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.471 -6.866 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.461 -6.794 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.490 -9.695 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.876 -8.971 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.162 -10.479 -3.096 1.00 0.00 H new ATOM 808 N LEU A 51 -2.866 -7.852 -1.010 1.00 0.00 N ATOM 809 CA LEU A 51 -2.005 -6.973 -0.226 1.00 0.00 C ATOM 810 C LEU A 51 -0.807 -6.510 -1.048 1.00 0.00 C ATOM 811 O LEU A 51 -0.562 -5.311 -1.183 1.00 0.00 O ATOM 812 CB LEU A 51 -1.525 -7.691 1.036 1.00 0.00 C ATOM 813 CG LEU A 51 -2.619 -8.196 1.979 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.129 -9.398 2.769 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.069 -7.086 2.917 1.00 0.00 C ATOM 0 H LEU A 51 -2.973 -8.791 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.586 -6.096 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.912 -8.541 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.879 -7.012 1.592 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.475 -8.506 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.920 -9.743 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.857 -10.199 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.257 -9.115 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.847 -7.463 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.221 -6.745 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.462 -6.253 2.333 1.00 0.00 H new ATOM 827 N GLN A 52 -0.065 -7.468 -1.594 1.00 0.00 N ATOM 828 CA GLN A 52 1.108 -7.157 -2.404 1.00 0.00 C ATOM 829 C GLN A 52 0.798 -6.051 -3.408 1.00 0.00 C ATOM 830 O GLN A 52 1.440 -5.001 -3.410 1.00 0.00 O ATOM 831 CB GLN A 52 1.593 -8.408 -3.137 1.00 0.00 C ATOM 832 CG GLN A 52 2.115 -9.494 -2.211 1.00 0.00 C ATOM 833 CD GLN A 52 3.038 -10.468 -2.915 1.00 0.00 C ATOM 834 OE1 GLN A 52 2.603 -11.511 -3.402 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.321 -10.133 -2.971 1.00 0.00 N ATOM 0 H GLN A 52 -0.255 -8.465 -1.491 1.00 0.00 H new ATOM 0 HA GLN A 52 1.897 -6.807 -1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.773 -8.812 -3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.382 -8.127 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.647 -9.032 -1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.272 -10.040 -1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.638 -9.258 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.990 -10.750 -3.431 1.00 0.00 H new ATOM 844 N VAL A 53 -0.191 -6.295 -4.263 1.00 0.00 N ATOM 845 CA VAL A 53 -0.587 -5.321 -5.273 1.00 0.00 C ATOM 846 C VAL A 53 -0.923 -3.976 -4.636 1.00 0.00 C ATOM 847 O VAL A 53 -0.352 -2.948 -4.999 1.00 0.00 O ATOM 848 CB VAL A 53 -1.804 -5.811 -6.081 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.231 -4.761 -7.094 1.00 0.00 C ATOM 850 CG2 VAL A 53 -1.487 -7.131 -6.769 1.00 0.00 C ATOM 0 H VAL A 53 -0.732 -7.159 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 53 0.262 -5.201 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.634 -5.975 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.092 -5.125 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.500 -3.842 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.408 -4.562 -7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.357 -7.464 -7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.643 -6.995 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.234 -7.881 -6.019 1.00 0.00 H new ATOM 860 N TRP A 54 -1.850 -3.993 -3.687 1.00 0.00 N ATOM 861 CA TRP A 54 -2.262 -2.774 -2.999 1.00 0.00 C ATOM 862 C TRP A 54 -1.051 -1.927 -2.620 1.00 0.00 C ATOM 863 O TRP A 54 -0.945 -0.767 -3.017 1.00 0.00 O ATOM 864 CB TRP A 54 -3.071 -3.118 -1.747 1.00 0.00 C ATOM 865 CG TRP A 54 -3.502 -1.912 -0.968 1.00 0.00 C ATOM 866 CD1 TRP A 54 -4.641 -1.183 -1.150 1.00 0.00 C ATOM 867 CD2 TRP A 54 -2.796 -1.295 0.115 1.00 0.00 C ATOM 868 NE1 TRP A 54 -4.688 -0.150 -0.245 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.569 -0.198 0.542 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.590 -1.564 0.767 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.171 0.629 1.590 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.197 -0.743 1.806 1.00 0.00 C ATOM 873 CH2 TRP A 54 -1.985 0.343 2.210 1.00 0.00 C ATOM 0 H TRP A 54 -2.331 -4.837 -3.375 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.888 -2.197 -3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.953 -3.688 -2.039 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.473 -3.763 -1.103 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.395 -1.388 -1.896 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.435 0.540 -0.172 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.976 -2.399 0.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.777 1.467 1.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.266 -0.942 2.316 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.650 0.966 3.026 1.00 0.00 H new ATOM 884 N PHE A 55 -0.141 -2.515 -1.851 1.00 0.00 N ATOM 885 CA PHE A 55 1.062 -1.814 -1.419 1.00 0.00 C ATOM 886 C PHE A 55 1.743 -1.125 -2.597 1.00 0.00 C ATOM 887 O PHE A 55 2.048 0.066 -2.540 1.00 0.00 O ATOM 888 CB PHE A 55 2.034 -2.789 -0.752 1.00 0.00 C ATOM 889 CG PHE A 55 1.830 -2.920 0.730 1.00 0.00 C ATOM 890 CD1 PHE A 55 2.205 -1.898 1.588 1.00 0.00 C ATOM 891 CD2 PHE A 55 1.262 -4.065 1.266 1.00 0.00 C ATOM 892 CE1 PHE A 55 2.019 -2.017 2.953 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.072 -4.188 2.630 1.00 0.00 C ATOM 894 CZ PHE A 55 1.451 -3.162 3.475 1.00 0.00 C ATOM 0 H PHE A 55 -0.214 -3.475 -1.514 1.00 0.00 H new ATOM 0 HA PHE A 55 0.769 -1.053 -0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.925 -3.770 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.055 -2.459 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.647 -0.999 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.964 -4.870 0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.318 -1.214 3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.628 -5.085 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.303 -3.256 4.541 1.00 0.00 H new ATOM 904 N GLN A 56 1.980 -1.883 -3.663 1.00 0.00 N ATOM 905 CA GLN A 56 2.626 -1.346 -4.853 1.00 0.00 C ATOM 906 C GLN A 56 1.843 -0.162 -5.411 1.00 0.00 C ATOM 907 O GLN A 56 2.427 0.809 -5.891 1.00 0.00 O ATOM 908 CB GLN A 56 2.758 -2.434 -5.922 1.00 0.00 C ATOM 909 CG GLN A 56 4.035 -3.249 -5.805 1.00 0.00 C ATOM 910 CD GLN A 56 5.187 -2.645 -6.583 1.00 0.00 C ATOM 911 OE1 GLN A 56 5.492 -3.074 -7.697 1.00 0.00 O ATOM 912 NE2 GLN A 56 5.835 -1.644 -6.001 1.00 0.00 N ATOM 0 H GLN A 56 1.734 -2.871 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 56 3.620 -1.000 -4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.901 -3.104 -5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.722 -1.970 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.314 -3.330 -4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.850 -4.261 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.549 -1.320 -5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.619 -1.199 -6.478 1.00 0.00 H new ATOM 921 N ASN A 57 0.519 -0.249 -5.343 1.00 0.00 N ATOM 922 CA ASN A 57 -0.344 0.815 -5.841 1.00 0.00 C ATOM 923 C ASN A 57 -0.160 2.091 -5.026 1.00 0.00 C ATOM 924 O ASN A 57 -0.174 3.195 -5.570 1.00 0.00 O ATOM 925 CB ASN A 57 -1.808 0.375 -5.798 1.00 0.00 C ATOM 926 CG ASN A 57 -2.242 -0.319 -7.075 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.453 -0.478 -8.007 1.00 0.00 O ATOM 928 ND2 ASN A 57 -3.502 -0.735 -7.124 1.00 0.00 N ATOM 0 H ASN A 57 0.020 -1.046 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.064 1.022 -6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.957 -0.298 -4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.441 1.246 -5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.851 -1.208 -7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.121 -0.582 -6.328 1.00 0.00 H new ATOM 935 N ALA A 58 0.013 1.932 -3.718 1.00 0.00 N ATOM 936 CA ALA A 58 0.202 3.070 -2.828 1.00 0.00 C ATOM 937 C ALA A 58 1.364 3.941 -3.291 1.00 0.00 C ATOM 938 O ALA A 58 1.181 5.115 -3.617 1.00 0.00 O ATOM 939 CB ALA A 58 0.434 2.592 -1.402 1.00 0.00 C ATOM 0 H ALA A 58 0.026 1.025 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.705 3.675 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.574 3.453 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.429 2.017 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.324 1.963 -1.369 1.00 0.00 H new ATOM 945 N ARG A 59 2.560 3.362 -3.318 1.00 0.00 N ATOM 946 CA ARG A 59 3.752 4.087 -3.740 1.00 0.00 C ATOM 947 C ARG A 59 3.456 4.954 -4.960 1.00 0.00 C ATOM 948 O ARG A 59 3.859 6.116 -5.020 1.00 0.00 O ATOM 949 CB ARG A 59 4.884 3.109 -4.058 1.00 0.00 C ATOM 950 CG ARG A 59 5.715 2.725 -2.845 1.00 0.00 C ATOM 951 CD ARG A 59 6.591 1.515 -3.130 1.00 0.00 C ATOM 952 NE ARG A 59 7.572 1.785 -4.178 1.00 0.00 N ATOM 953 CZ ARG A 59 8.619 2.586 -4.017 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.821 3.193 -2.855 1.00 0.00 N ATOM 955 NH2 ARG A 59 9.468 2.781 -5.018 1.00 0.00 N ATOM 0 H ARG A 59 2.729 2.392 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 59 4.062 4.736 -2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.460 2.206 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.537 3.554 -4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.341 3.567 -2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.056 2.508 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.108 1.218 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.963 0.675 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 59 7.446 1.333 -5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.171 3.045 -2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.626 3.808 -2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.317 2.315 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.272 3.397 -4.893 1.00 0.00 H new