USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 411 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 14 TYR OH : rot 113:sc= 0.266 USER MOD Set 1.2: A 50 GLN : amide:sc= 0 X(o=0.27,f=0.27) USER MOD Single : A 12 THR OG1 : rot 35:sc= 0.145 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.94! C(o=-5.9!,f=-5.7!) USER MOD Single : A 23 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -115:sc= 0.147 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 75:sc= 0.00342 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0833 K(o=-0.083,f=-1.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.637 12.257 -5.029 1.00 0.00 N ATOM 151 CA THR A 12 0.085 11.054 -4.633 1.00 0.00 C ATOM 152 C THR A 12 -0.288 9.873 -5.521 1.00 0.00 C ATOM 153 O THR A 12 -1.374 9.839 -6.101 1.00 0.00 O ATOM 154 CB THR A 12 -0.198 10.687 -3.164 1.00 0.00 C ATOM 155 OG1 THR A 12 0.033 11.822 -2.322 1.00 0.00 O ATOM 156 CG2 THR A 12 0.683 9.530 -2.717 1.00 0.00 C ATOM 0 HA THR A 12 1.147 11.270 -4.747 1.00 0.00 H new ATOM 0 HB THR A 12 -1.241 10.382 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.219 12.640 -2.799 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.466 9.288 -1.677 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.484 8.659 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.731 9.813 -2.813 1.00 0.00 H new ATOM 164 N ILE A 13 0.617 8.906 -5.623 1.00 0.00 N ATOM 165 CA ILE A 13 0.382 7.722 -6.439 1.00 0.00 C ATOM 166 C ILE A 13 -0.947 7.064 -6.082 1.00 0.00 C ATOM 167 O ILE A 13 -1.469 6.245 -6.839 1.00 0.00 O ATOM 168 CB ILE A 13 1.513 6.690 -6.274 1.00 0.00 C ATOM 169 CG1 ILE A 13 2.872 7.346 -6.525 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.303 5.517 -7.221 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.500 7.930 -5.278 1.00 0.00 C ATOM 0 H ILE A 13 1.521 8.919 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 13 0.354 8.055 -7.477 1.00 0.00 H new ATOM 0 HB ILE A 13 1.495 6.314 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.550 6.607 -6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.754 8.136 -7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.111 4.796 -7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.350 5.037 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.298 5.876 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.461 8.378 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.842 8.693 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.650 7.140 -4.542 1.00 0.00 H new ATOM 183 N TYR A 14 -1.490 7.428 -4.926 1.00 0.00 N ATOM 184 CA TYR A 14 -2.758 6.873 -4.468 1.00 0.00 C ATOM 185 C TYR A 14 -3.641 7.960 -3.863 1.00 0.00 C ATOM 186 O TYR A 14 -3.171 8.806 -3.103 1.00 0.00 O ATOM 187 CB TYR A 14 -2.513 5.768 -3.440 1.00 0.00 C ATOM 188 CG TYR A 14 -2.104 4.448 -4.054 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.785 4.207 -4.417 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.038 3.442 -4.272 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.407 3.003 -4.980 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.669 2.235 -4.833 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.353 2.020 -5.185 1.00 0.00 C ATOM 194 OH TYR A 14 -0.980 0.819 -5.744 1.00 0.00 O ATOM 0 H TYR A 14 -1.072 8.105 -4.288 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.273 6.450 -5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.736 6.093 -2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.420 5.621 -2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.042 4.974 -4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.070 3.607 -3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.623 2.833 -5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.407 1.464 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.070 0.106 -5.078 1.00 0.00 H new ATOM 204 N SER A 15 -4.925 7.928 -4.206 1.00 0.00 N ATOM 205 CA SER A 15 -5.876 8.911 -3.700 1.00 0.00 C ATOM 206 C SER A 15 -5.997 8.818 -2.182 1.00 0.00 C ATOM 207 O SER A 15 -5.737 7.771 -1.590 1.00 0.00 O ATOM 208 CB SER A 15 -7.247 8.706 -4.346 1.00 0.00 C ATOM 209 OG SER A 15 -7.282 9.252 -5.653 1.00 0.00 O ATOM 0 H SER A 15 -5.330 7.232 -4.832 1.00 0.00 H new ATOM 0 HA SER A 15 -5.506 9.904 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.478 7.641 -4.387 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.016 9.175 -3.732 1.00 0.00 H new ATOM 0 HG SER A 15 -8.168 9.106 -6.045 1.00 0.00 H new ATOM 215 N SER A 16 -6.394 9.923 -1.557 1.00 0.00 N ATOM 216 CA SER A 16 -6.546 9.969 -0.108 1.00 0.00 C ATOM 217 C SER A 16 -7.502 8.880 0.372 1.00 0.00 C ATOM 218 O SER A 16 -7.209 8.157 1.325 1.00 0.00 O ATOM 219 CB SER A 16 -7.059 11.342 0.329 1.00 0.00 C ATOM 220 OG SER A 16 -8.197 11.725 -0.424 1.00 0.00 O ATOM 0 H SER A 16 -6.616 10.798 -2.032 1.00 0.00 H new ATOM 0 HA SER A 16 -5.568 9.795 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.312 11.319 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.271 12.084 0.205 1.00 0.00 H new ATOM 0 HG SER A 16 -8.507 12.605 -0.124 1.00 0.00 H new ATOM 226 N PHE A 17 -8.646 8.771 -0.294 1.00 0.00 N ATOM 227 CA PHE A 17 -9.647 7.772 0.064 1.00 0.00 C ATOM 228 C PHE A 17 -9.062 6.365 -0.012 1.00 0.00 C ATOM 229 O PHE A 17 -9.394 5.500 0.798 1.00 0.00 O ATOM 230 CB PHE A 17 -10.862 7.882 -0.859 1.00 0.00 C ATOM 231 CG PHE A 17 -11.610 6.590 -1.022 1.00 0.00 C ATOM 232 CD1 PHE A 17 -11.267 5.697 -2.024 1.00 0.00 C ATOM 233 CD2 PHE A 17 -12.657 6.269 -0.173 1.00 0.00 C ATOM 234 CE1 PHE A 17 -11.953 4.507 -2.177 1.00 0.00 C ATOM 235 CE2 PHE A 17 -13.347 5.080 -0.321 1.00 0.00 C ATOM 236 CZ PHE A 17 -12.995 4.199 -1.324 1.00 0.00 C ATOM 0 H PHE A 17 -8.904 9.362 -1.085 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.962 7.961 1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.541 8.638 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.534 8.229 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.454 5.934 -2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.937 6.955 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.675 3.819 -2.962 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.161 4.841 0.348 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.534 3.270 -1.442 1.00 0.00 H new ATOM 246 N GLN A 18 -8.191 6.144 -0.992 1.00 0.00 N ATOM 247 CA GLN A 18 -7.561 4.842 -1.175 1.00 0.00 C ATOM 248 C GLN A 18 -6.460 4.620 -0.143 1.00 0.00 C ATOM 249 O GLN A 18 -6.290 3.514 0.371 1.00 0.00 O ATOM 250 CB GLN A 18 -6.985 4.725 -2.587 1.00 0.00 C ATOM 251 CG GLN A 18 -8.032 4.432 -3.649 1.00 0.00 C ATOM 252 CD GLN A 18 -7.433 4.285 -5.034 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.398 4.877 -5.341 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.082 3.492 -5.878 1.00 0.00 N ATOM 0 H GLN A 18 -7.906 6.850 -1.671 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.323 4.075 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.473 5.654 -2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.235 3.934 -2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.563 3.516 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.768 5.235 -3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.937 3.021 -5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.726 3.354 -6.824 1.00 0.00 H new ATOM 263 N LEU A 19 -5.714 5.678 0.156 1.00 0.00 N ATOM 264 CA LEU A 19 -4.628 5.600 1.126 1.00 0.00 C ATOM 265 C LEU A 19 -5.172 5.395 2.537 1.00 0.00 C ATOM 266 O LEU A 19 -4.831 4.422 3.209 1.00 0.00 O ATOM 267 CB LEU A 19 -3.779 6.870 1.075 1.00 0.00 C ATOM 268 CG LEU A 19 -2.631 6.870 0.064 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.753 8.098 0.253 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.806 5.598 0.194 1.00 0.00 C ATOM 0 H LEU A 19 -5.842 6.601 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.005 4.744 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.434 7.712 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.363 7.045 2.067 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.056 6.903 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.942 8.081 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.351 8.998 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.337 8.096 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.994 5.615 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.391 5.535 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.441 4.732 0.008 1.00 0.00 H new ATOM 282 N ALA A 20 -6.022 6.317 2.978 1.00 0.00 N ATOM 283 CA ALA A 20 -6.616 6.235 4.306 1.00 0.00 C ATOM 284 C ALA A 20 -6.860 4.785 4.710 1.00 0.00 C ATOM 285 O ALA A 20 -6.378 4.330 5.747 1.00 0.00 O ATOM 286 CB ALA A 20 -7.917 7.024 4.351 1.00 0.00 C ATOM 0 H ALA A 20 -6.314 7.129 2.435 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.915 6.670 5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.350 6.954 5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.717 8.069 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.616 6.614 3.622 1.00 0.00 H new ATOM 292 N ALA A 21 -7.612 4.064 3.884 1.00 0.00 N ATOM 293 CA ALA A 21 -7.919 2.665 4.155 1.00 0.00 C ATOM 294 C ALA A 21 -6.664 1.802 4.074 1.00 0.00 C ATOM 295 O ALA A 21 -6.405 0.980 4.953 1.00 0.00 O ATOM 296 CB ALA A 21 -8.974 2.158 3.184 1.00 0.00 C ATOM 0 H ALA A 21 -8.020 4.426 3.022 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.312 2.595 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.193 1.112 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.883 2.749 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.603 2.249 2.163 1.00 0.00 H new ATOM 302 N LEU A 22 -5.888 1.994 3.013 1.00 0.00 N ATOM 303 CA LEU A 22 -4.659 1.233 2.816 1.00 0.00 C ATOM 304 C LEU A 22 -3.807 1.237 4.081 1.00 0.00 C ATOM 305 O LEU A 22 -3.564 0.189 4.680 1.00 0.00 O ATOM 306 CB LEU A 22 -3.859 1.810 1.647 1.00 0.00 C ATOM 307 CG LEU A 22 -4.214 1.272 0.260 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.277 1.847 -0.791 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.161 -0.249 0.249 1.00 0.00 C ATOM 0 H LEU A 22 -6.088 2.670 2.276 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.932 0.203 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.993 2.892 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.801 1.621 1.828 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.231 1.582 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.545 1.453 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.364 2.934 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.250 1.567 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.416 -0.615 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.156 -0.580 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.873 -0.643 0.974 1.00 0.00 H new ATOM 321 N GLN A 23 -3.359 2.422 4.483 1.00 0.00 N ATOM 322 CA GLN A 23 -2.535 2.562 5.678 1.00 0.00 C ATOM 323 C GLN A 23 -3.228 1.950 6.891 1.00 0.00 C ATOM 324 O GLN A 23 -2.611 1.223 7.670 1.00 0.00 O ATOM 325 CB GLN A 23 -2.228 4.037 5.941 1.00 0.00 C ATOM 326 CG GLN A 23 -1.077 4.576 5.108 1.00 0.00 C ATOM 327 CD GLN A 23 -0.387 5.758 5.761 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.402 5.902 6.984 1.00 0.00 O ATOM 329 NE2 GLN A 23 0.223 6.611 4.948 1.00 0.00 N ATOM 0 H GLN A 23 -3.553 3.299 3.999 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.600 2.028 5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.121 4.628 5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.994 4.168 6.997 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.350 3.781 4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.451 4.874 4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.210 6.453 3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.704 7.425 5.331 1.00 0.00 H new ATOM 338 N ARG A 24 -4.514 2.249 7.045 1.00 0.00 N ATOM 339 CA ARG A 24 -5.290 1.729 8.164 1.00 0.00 C ATOM 340 C ARG A 24 -5.094 0.223 8.310 1.00 0.00 C ATOM 341 O ARG A 24 -5.051 -0.302 9.422 1.00 0.00 O ATOM 342 CB ARG A 24 -6.775 2.045 7.973 1.00 0.00 C ATOM 343 CG ARG A 24 -7.536 2.209 9.278 1.00 0.00 C ATOM 344 CD ARG A 24 -8.891 2.863 9.055 1.00 0.00 C ATOM 345 NE ARG A 24 -8.802 4.321 9.064 1.00 0.00 N ATOM 346 CZ ARG A 24 -8.435 5.028 10.127 1.00 0.00 C ATOM 347 NH1 ARG A 24 -8.124 4.415 11.260 1.00 0.00 N ATOM 348 NH2 ARG A 24 -8.379 6.352 10.057 1.00 0.00 N ATOM 0 H ARG A 24 -5.040 2.848 6.409 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.936 2.213 9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.871 2.960 7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.236 1.246 7.392 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.674 1.234 9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.949 2.813 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.302 2.531 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.583 2.537 9.831 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.034 4.824 8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.166 3.397 11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.843 4.961 12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.618 6.827 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.097 6.894 10.874 1.00 0.00 H new ATOM 362 N ARG A 25 -4.976 -0.465 7.179 1.00 0.00 N ATOM 363 CA ARG A 25 -4.786 -1.910 7.180 1.00 0.00 C ATOM 364 C ARG A 25 -3.347 -2.269 7.540 1.00 0.00 C ATOM 365 O ARG A 25 -3.101 -3.202 8.306 1.00 0.00 O ATOM 366 CB ARG A 25 -5.141 -2.494 5.812 1.00 0.00 C ATOM 367 CG ARG A 25 -5.289 -4.007 5.815 1.00 0.00 C ATOM 368 CD ARG A 25 -6.074 -4.487 7.026 1.00 0.00 C ATOM 369 NE ARG A 25 -6.724 -5.773 6.782 1.00 0.00 N ATOM 370 CZ ARG A 25 -7.760 -5.929 5.966 1.00 0.00 C ATOM 371 NH1 ARG A 25 -8.261 -4.887 5.318 1.00 0.00 N ATOM 372 NH2 ARG A 25 -8.296 -7.131 5.796 1.00 0.00 N ATOM 0 H ARG A 25 -5.009 -0.045 6.250 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.449 -2.337 7.933 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.073 -2.047 5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.369 -2.214 5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.793 -4.326 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.302 -4.470 5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.403 -4.576 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.827 -3.744 7.288 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.362 -6.595 7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.851 -3.962 5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.057 -5.010 4.692 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.912 -7.935 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.092 -7.251 5.169 1.00 0.00 H new ATOM 386 N PHE A 26 -2.399 -1.523 6.983 1.00 0.00 N ATOM 387 CA PHE A 26 -0.985 -1.763 7.243 1.00 0.00 C ATOM 388 C PHE A 26 -0.696 -1.740 8.742 1.00 0.00 C ATOM 389 O PHE A 26 0.104 -2.530 9.242 1.00 0.00 O ATOM 390 CB PHE A 26 -0.128 -0.714 6.531 1.00 0.00 C ATOM 391 CG PHE A 26 1.347 -0.985 6.619 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.925 -1.996 5.868 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.155 -0.229 7.452 1.00 0.00 C ATOM 394 CE1 PHE A 26 3.282 -2.248 5.945 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.513 -0.476 7.534 1.00 0.00 C ATOM 396 CZ PHE A 26 4.076 -1.487 6.780 1.00 0.00 C ATOM 0 H PHE A 26 -2.585 -0.747 6.348 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.733 -2.751 6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.419 -0.670 5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.336 0.266 6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.308 -2.594 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.719 0.562 8.044 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.720 -3.038 5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.133 0.121 8.187 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.136 -1.682 6.843 1.00 0.00 H new ATOM 406 N GLN A 27 -1.354 -0.828 9.451 1.00 0.00 N ATOM 407 CA GLN A 27 -1.167 -0.701 10.891 1.00 0.00 C ATOM 408 C GLN A 27 -1.604 -1.973 11.611 1.00 0.00 C ATOM 409 O GLN A 27 -0.906 -2.468 12.496 1.00 0.00 O ATOM 410 CB GLN A 27 -1.954 0.497 11.425 1.00 0.00 C ATOM 411 CG GLN A 27 -1.578 1.814 10.766 1.00 0.00 C ATOM 412 CD GLN A 27 -1.782 3.005 11.682 1.00 0.00 C ATOM 413 OE1 GLN A 27 -1.721 2.879 12.906 1.00 0.00 O ATOM 414 NE2 GLN A 27 -2.026 4.170 11.094 1.00 0.00 N ATOM 0 H GLN A 27 -2.021 -0.167 9.052 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.105 -0.544 11.082 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.019 0.317 11.277 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.791 0.578 12.500 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.534 1.775 10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.175 1.948 9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.068 4.229 10.077 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.172 5.006 11.660 1.00 0.00 H new ATOM 423 N LYS A 28 -2.762 -2.496 11.226 1.00 0.00 N ATOM 424 CA LYS A 28 -3.293 -3.711 11.833 1.00 0.00 C ATOM 425 C LYS A 28 -2.335 -4.882 11.636 1.00 0.00 C ATOM 426 O LYS A 28 -1.939 -5.543 12.596 1.00 0.00 O ATOM 427 CB LYS A 28 -4.660 -4.050 11.234 1.00 0.00 C ATOM 428 CG LYS A 28 -5.426 -5.099 12.022 1.00 0.00 C ATOM 429 CD LYS A 28 -6.927 -4.937 11.852 1.00 0.00 C ATOM 430 CE LYS A 28 -7.696 -5.792 12.848 1.00 0.00 C ATOM 431 NZ LYS A 28 -9.123 -5.378 12.948 1.00 0.00 N ATOM 0 H LYS A 28 -3.352 -2.097 10.496 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.406 -3.533 12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.259 -3.141 11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.522 -4.404 10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.127 -6.094 11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.168 -5.022 13.078 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.198 -3.890 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.211 -5.214 10.837 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.642 -6.838 12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.227 -5.718 13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.613 -5.984 13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.176 -4.387 13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.578 -5.473 12.018 1.00 0.00 H new ATOM 445 N THR A 29 -1.964 -5.132 10.384 1.00 0.00 N ATOM 446 CA THR A 29 -1.052 -6.222 10.060 1.00 0.00 C ATOM 447 C THR A 29 -0.184 -5.874 8.857 1.00 0.00 C ATOM 448 O THR A 29 -0.614 -5.152 7.958 1.00 0.00 O ATOM 449 CB THR A 29 -1.817 -7.526 9.766 1.00 0.00 C ATOM 450 OG1 THR A 29 -0.900 -8.622 9.673 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.609 -7.409 8.473 1.00 0.00 C ATOM 0 H THR A 29 -2.281 -4.594 9.578 1.00 0.00 H new ATOM 0 HA THR A 29 -0.416 -6.371 10.933 1.00 0.00 H new ATOM 0 HB THR A 29 -2.514 -7.705 10.585 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.903 -8.974 8.758 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.141 -8.342 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.327 -6.593 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.928 -7.208 7.646 1.00 0.00 H new ATOM 459 N GLN A 30 1.040 -6.392 8.846 1.00 0.00 N ATOM 460 CA GLN A 30 1.969 -6.135 7.752 1.00 0.00 C ATOM 461 C GLN A 30 1.668 -7.037 6.560 1.00 0.00 C ATOM 462 O GLN A 30 1.877 -6.652 5.409 1.00 0.00 O ATOM 463 CB GLN A 30 3.410 -6.348 8.217 1.00 0.00 C ATOM 464 CG GLN A 30 3.979 -5.170 8.993 1.00 0.00 C ATOM 465 CD GLN A 30 3.719 -5.273 10.483 1.00 0.00 C ATOM 466 OE1 GLN A 30 4.159 -6.217 11.138 1.00 0.00 O ATOM 467 NE2 GLN A 30 2.999 -4.298 11.027 1.00 0.00 N ATOM 0 H GLN A 30 1.411 -6.992 9.582 1.00 0.00 H new ATOM 0 HA GLN A 30 1.846 -5.098 7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.453 -7.240 8.843 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.039 -6.538 7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.053 -5.110 8.819 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.542 -4.246 8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.654 -3.534 10.446 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.791 -4.314 12.026 1.00 0.00 H new ATOM 476 N TYR A 31 1.179 -8.239 6.842 1.00 0.00 N ATOM 477 CA TYR A 31 0.852 -9.198 5.793 1.00 0.00 C ATOM 478 C TYR A 31 -0.658 -9.368 5.662 1.00 0.00 C ATOM 479 O TYR A 31 -1.391 -9.305 6.650 1.00 0.00 O ATOM 480 CB TYR A 31 1.505 -10.549 6.087 1.00 0.00 C ATOM 481 CG TYR A 31 2.951 -10.442 6.518 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.285 -10.217 7.848 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.982 -10.568 5.596 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.604 -10.117 8.246 1.00 0.00 C ATOM 485 CE2 TYR A 31 5.304 -10.471 5.985 1.00 0.00 C ATOM 486 CZ TYR A 31 5.610 -10.246 7.311 1.00 0.00 C ATOM 487 OH TYR A 31 6.925 -10.149 7.703 1.00 0.00 O ATOM 0 H TYR A 31 1.000 -8.573 7.789 1.00 0.00 H new ATOM 0 HA TYR A 31 1.239 -8.812 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.938 -11.055 6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.446 -11.173 5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.500 -10.119 8.583 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.746 -10.745 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.846 -9.939 9.283 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.094 -10.571 5.255 1.00 0.00 H new ATOM 0 HH TYR A 31 7.508 -10.264 6.924 1.00 0.00 H new ATOM 497 N LEU A 32 -1.117 -9.585 4.434 1.00 0.00 N ATOM 498 CA LEU A 32 -2.541 -9.766 4.171 1.00 0.00 C ATOM 499 C LEU A 32 -2.804 -11.112 3.503 1.00 0.00 C ATOM 500 O LEU A 32 -2.058 -11.535 2.621 1.00 0.00 O ATOM 501 CB LEU A 32 -3.064 -8.634 3.285 1.00 0.00 C ATOM 502 CG LEU A 32 -3.251 -7.279 3.969 1.00 0.00 C ATOM 503 CD1 LEU A 32 -3.889 -6.282 3.013 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.094 -7.428 5.227 1.00 0.00 C ATOM 0 H LEU A 32 -0.525 -9.640 3.605 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.067 -9.745 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.375 -8.505 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.021 -8.941 2.864 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.270 -6.900 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.014 -5.324 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.248 -6.152 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.863 -6.655 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.217 -6.454 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.073 -7.829 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.597 -8.108 5.919 1.00 0.00 H new ATOM 516 N ALA A 33 -3.872 -11.779 3.929 1.00 0.00 N ATOM 517 CA ALA A 33 -4.237 -13.074 3.370 1.00 0.00 C ATOM 518 C ALA A 33 -4.765 -12.929 1.947 1.00 0.00 C ATOM 519 O ALA A 33 -4.887 -11.818 1.429 1.00 0.00 O ATOM 520 CB ALA A 33 -5.272 -13.758 4.252 1.00 0.00 C ATOM 0 H ALA A 33 -4.499 -11.443 4.660 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.340 -13.692 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.535 -14.724 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.859 -13.905 5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.164 -13.135 4.317 1.00 0.00 H new ATOM 526 N LEU A 34 -5.076 -14.057 1.319 1.00 0.00 N ATOM 527 CA LEU A 34 -5.591 -14.056 -0.046 1.00 0.00 C ATOM 528 C LEU A 34 -6.837 -13.183 -0.158 1.00 0.00 C ATOM 529 O LEU A 34 -6.875 -12.205 -0.905 1.00 0.00 O ATOM 530 CB LEU A 34 -5.913 -15.483 -0.493 1.00 0.00 C ATOM 531 CG LEU A 34 -7.097 -15.637 -1.448 1.00 0.00 C ATOM 532 CD1 LEU A 34 -6.783 -15.001 -2.793 1.00 0.00 C ATOM 533 CD2 LEU A 34 -7.456 -17.105 -1.621 1.00 0.00 C ATOM 0 H LEU A 34 -4.981 -14.984 1.733 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.821 -13.643 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.028 -15.900 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.107 -16.085 0.395 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.956 -15.123 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.637 -15.120 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.576 -13.940 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.911 -15.487 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.301 -17.195 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.600 -17.643 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.724 -17.530 -0.654 1.00 0.00 H new ATOM 545 N PRO A 35 -7.881 -13.541 0.605 1.00 0.00 N ATOM 546 CA PRO A 35 -9.147 -12.802 0.611 1.00 0.00 C ATOM 547 C PRO A 35 -9.014 -11.431 1.266 1.00 0.00 C ATOM 548 O PRO A 35 -9.827 -10.538 1.028 1.00 0.00 O ATOM 549 CB PRO A 35 -10.077 -13.698 1.433 1.00 0.00 C ATOM 550 CG PRO A 35 -9.166 -14.485 2.311 1.00 0.00 C ATOM 551 CD PRO A 35 -7.906 -14.695 1.519 1.00 0.00 C ATOM 0 HA PRO A 35 -9.507 -12.602 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.780 -13.107 2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.669 -14.350 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.959 -13.950 3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.617 -15.438 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.026 -14.717 2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.927 -15.639 0.974 1.00 0.00 H new ATOM 559 N GLU A 36 -7.983 -11.271 2.091 1.00 0.00 N ATOM 560 CA GLU A 36 -7.745 -10.008 2.779 1.00 0.00 C ATOM 561 C GLU A 36 -7.269 -8.937 1.802 1.00 0.00 C ATOM 562 O GLU A 36 -7.787 -7.821 1.787 1.00 0.00 O ATOM 563 CB GLU A 36 -6.712 -10.195 3.892 1.00 0.00 C ATOM 564 CG GLU A 36 -7.311 -10.670 5.205 1.00 0.00 C ATOM 565 CD GLU A 36 -8.425 -11.679 5.007 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.572 -11.256 4.753 1.00 0.00 O ATOM 567 OE2 GLU A 36 -8.149 -12.893 5.107 1.00 0.00 O ATOM 0 H GLU A 36 -7.300 -12.000 2.298 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.687 -9.680 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.962 -10.915 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.195 -9.250 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.527 -11.115 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.697 -9.812 5.756 1.00 0.00 H new ATOM 574 N ARG A 37 -6.277 -9.286 0.989 1.00 0.00 N ATOM 575 CA ARG A 37 -5.729 -8.355 0.010 1.00 0.00 C ATOM 576 C ARG A 37 -6.794 -7.936 -0.999 1.00 0.00 C ATOM 577 O ARG A 37 -6.928 -6.756 -1.320 1.00 0.00 O ATOM 578 CB ARG A 37 -4.542 -8.989 -0.719 1.00 0.00 C ATOM 579 CG ARG A 37 -3.642 -7.978 -1.411 1.00 0.00 C ATOM 580 CD ARG A 37 -2.210 -8.480 -1.503 1.00 0.00 C ATOM 581 NE ARG A 37 -1.605 -8.656 -0.186 1.00 0.00 N ATOM 582 CZ ARG A 37 -0.293 -8.663 0.026 1.00 0.00 C ATOM 583 NH1 ARG A 37 0.546 -8.505 -0.988 1.00 0.00 N ATOM 584 NH2 ARG A 37 0.181 -8.828 1.254 1.00 0.00 N ATOM 0 H ARG A 37 -5.837 -10.206 0.989 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.388 -7.467 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.950 -9.560 -0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.917 -9.696 -1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.023 -7.775 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.664 -7.035 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.192 -9.429 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.615 -7.775 -2.083 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.223 -8.780 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.185 -8.378 -1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.553 -8.511 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.462 -8.950 2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.188 -8.833 1.416 1.00 0.00 H new ATOM 598 N ALA A 38 -7.549 -8.911 -1.494 1.00 0.00 N ATOM 599 CA ALA A 38 -8.603 -8.644 -2.464 1.00 0.00 C ATOM 600 C ALA A 38 -9.577 -7.594 -1.941 1.00 0.00 C ATOM 601 O ALA A 38 -9.934 -6.656 -2.653 1.00 0.00 O ATOM 602 CB ALA A 38 -9.343 -9.928 -2.807 1.00 0.00 C ATOM 0 H ALA A 38 -7.450 -9.894 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.139 -8.253 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.127 -9.713 -3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.644 -10.649 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.789 -10.344 -1.903 1.00 0.00 H new ATOM 608 N GLU A 39 -10.004 -7.758 -0.692 1.00 0.00 N ATOM 609 CA GLU A 39 -10.938 -6.824 -0.076 1.00 0.00 C ATOM 610 C GLU A 39 -10.557 -5.382 -0.396 1.00 0.00 C ATOM 611 O GLU A 39 -11.382 -4.601 -0.873 1.00 0.00 O ATOM 612 CB GLU A 39 -10.973 -7.029 1.440 1.00 0.00 C ATOM 613 CG GLU A 39 -11.911 -8.140 1.883 1.00 0.00 C ATOM 614 CD GLU A 39 -12.436 -7.933 3.291 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.428 -7.190 3.450 1.00 0.00 O ATOM 616 OE2 GLU A 39 -11.856 -8.513 4.232 1.00 0.00 O ATOM 0 H GLU A 39 -9.718 -8.529 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.929 -7.019 -0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.966 -7.254 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.276 -6.097 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.751 -8.199 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.388 -9.095 1.831 1.00 0.00 H new ATOM 623 N LEU A 40 -9.303 -5.035 -0.131 1.00 0.00 N ATOM 624 CA LEU A 40 -8.811 -3.686 -0.391 1.00 0.00 C ATOM 625 C LEU A 40 -9.032 -3.297 -1.849 1.00 0.00 C ATOM 626 O LEU A 40 -9.436 -2.173 -2.147 1.00 0.00 O ATOM 627 CB LEU A 40 -7.324 -3.590 -0.045 1.00 0.00 C ATOM 628 CG LEU A 40 -6.915 -4.138 1.322 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.533 -3.635 1.708 1.00 0.00 C ATOM 630 CD2 LEU A 40 -7.939 -3.753 2.379 1.00 0.00 C ATOM 0 H LEU A 40 -8.608 -5.669 0.264 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.370 -2.994 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.759 -4.121 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.026 -2.543 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.878 -5.226 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.259 -4.036 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.806 -3.962 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.541 -2.546 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.631 -4.152 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.008 -2.667 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.912 -4.164 2.110 1.00 0.00 H new ATOM 642 N ALA A 41 -8.767 -4.234 -2.753 1.00 0.00 N ATOM 643 CA ALA A 41 -8.942 -3.990 -4.179 1.00 0.00 C ATOM 644 C ALA A 41 -10.419 -3.875 -4.540 1.00 0.00 C ATOM 645 O ALA A 41 -10.776 -3.259 -5.543 1.00 0.00 O ATOM 646 CB ALA A 41 -8.284 -5.098 -4.989 1.00 0.00 C ATOM 0 H ALA A 41 -8.430 -5.169 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.461 -3.042 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.423 -4.903 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.218 -5.131 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.739 -6.055 -4.733 1.00 0.00 H new ATOM 652 N ALA A 42 -11.273 -4.472 -3.715 1.00 0.00 N ATOM 653 CA ALA A 42 -12.712 -4.435 -3.947 1.00 0.00 C ATOM 654 C ALA A 42 -13.327 -3.163 -3.374 1.00 0.00 C ATOM 655 O ALA A 42 -14.250 -2.592 -3.955 1.00 0.00 O ATOM 656 CB ALA A 42 -13.375 -5.664 -3.343 1.00 0.00 C ATOM 0 H ALA A 42 -10.993 -4.987 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.883 -4.436 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.449 -5.624 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.963 -6.562 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.188 -5.688 -2.269 1.00 0.00 H new ATOM 662 N SER A 43 -12.811 -2.725 -2.230 1.00 0.00 N ATOM 663 CA SER A 43 -13.314 -1.523 -1.575 1.00 0.00 C ATOM 664 C SER A 43 -12.648 -0.275 -2.147 1.00 0.00 C ATOM 665 O SER A 43 -13.323 0.665 -2.569 1.00 0.00 O ATOM 666 CB SER A 43 -13.072 -1.599 -0.066 1.00 0.00 C ATOM 667 OG SER A 43 -13.692 -2.744 0.493 1.00 0.00 O ATOM 0 H SER A 43 -12.045 -3.184 -1.738 1.00 0.00 H new ATOM 0 HA SER A 43 -14.386 -1.459 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.001 -1.628 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.461 -0.701 0.413 1.00 0.00 H new ATOM 0 HG SER A 43 -13.170 -3.542 0.266 1.00 0.00 H new ATOM 673 N LEU A 44 -11.320 -0.273 -2.156 1.00 0.00 N ATOM 674 CA LEU A 44 -10.561 0.860 -2.675 1.00 0.00 C ATOM 675 C LEU A 44 -10.704 0.963 -4.191 1.00 0.00 C ATOM 676 O LEU A 44 -10.234 1.919 -4.805 1.00 0.00 O ATOM 677 CB LEU A 44 -9.084 0.724 -2.300 1.00 0.00 C ATOM 678 CG LEU A 44 -8.791 0.387 -0.837 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.293 0.392 -0.578 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.498 1.368 0.087 1.00 0.00 C ATOM 0 H LEU A 44 -10.746 -1.042 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.962 1.770 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.641 -0.050 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.580 1.659 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.171 -0.614 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.104 0.150 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.811 -0.350 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.888 1.379 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.279 1.114 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.149 2.379 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.574 1.314 -0.080 1.00 0.00 H new ATOM 692 N GLY A 45 -11.360 -0.029 -4.787 1.00 0.00 N ATOM 693 CA GLY A 45 -11.557 -0.029 -6.224 1.00 0.00 C ATOM 694 C GLY A 45 -10.274 -0.303 -6.985 1.00 0.00 C ATOM 695 O GLY A 45 -10.191 -0.053 -8.188 1.00 0.00 O ATOM 0 H GLY A 45 -11.758 -0.832 -4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.299 -0.783 -6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.960 0.936 -6.532 1.00 0.00 H new ATOM 699 N LEU A 46 -9.270 -0.817 -6.282 1.00 0.00 N ATOM 700 CA LEU A 46 -7.984 -1.124 -6.898 1.00 0.00 C ATOM 701 C LEU A 46 -7.868 -2.614 -7.203 1.00 0.00 C ATOM 702 O LEU A 46 -8.783 -3.390 -6.922 1.00 0.00 O ATOM 703 CB LEU A 46 -6.840 -0.690 -5.980 1.00 0.00 C ATOM 704 CG LEU A 46 -6.869 0.766 -5.515 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.226 0.902 -4.143 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.167 1.662 -6.525 1.00 0.00 C ATOM 0 H LEU A 46 -9.322 -1.030 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.918 -0.573 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.844 -1.332 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.898 -0.866 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.909 1.082 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.256 1.945 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.771 0.291 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.190 0.568 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.197 2.695 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.130 1.346 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.671 1.588 -7.489 1.00 0.00 H new ATOM 718 N THR A 47 -6.737 -3.009 -7.779 1.00 0.00 N ATOM 719 CA THR A 47 -6.501 -4.406 -8.122 1.00 0.00 C ATOM 720 C THR A 47 -5.399 -5.006 -7.256 1.00 0.00 C ATOM 721 O THR A 47 -4.554 -4.286 -6.725 1.00 0.00 O ATOM 722 CB THR A 47 -6.115 -4.563 -9.605 1.00 0.00 C ATOM 723 OG1 THR A 47 -6.087 -5.950 -9.960 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.756 -3.937 -9.880 1.00 0.00 C ATOM 0 H THR A 47 -5.970 -2.381 -8.018 1.00 0.00 H new ATOM 0 HA THR A 47 -7.434 -4.938 -7.939 1.00 0.00 H new ATOM 0 HB THR A 47 -6.863 -4.049 -10.208 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.843 -6.041 -10.905 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.505 -4.060 -10.934 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.789 -2.875 -9.637 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.999 -4.426 -9.267 1.00 0.00 H new ATOM 732 N GLN A 48 -5.415 -6.327 -7.118 1.00 0.00 N ATOM 733 CA GLN A 48 -4.416 -7.023 -6.315 1.00 0.00 C ATOM 734 C GLN A 48 -3.007 -6.588 -6.703 1.00 0.00 C ATOM 735 O GLN A 48 -2.149 -6.383 -5.843 1.00 0.00 O ATOM 736 CB GLN A 48 -4.560 -8.537 -6.484 1.00 0.00 C ATOM 737 CG GLN A 48 -5.832 -9.099 -5.871 1.00 0.00 C ATOM 738 CD GLN A 48 -6.284 -10.383 -6.539 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.595 -10.920 -7.406 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.447 -10.882 -6.137 1.00 0.00 N ATOM 0 H GLN A 48 -6.108 -6.937 -7.551 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.582 -6.764 -5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.541 -8.779 -7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.700 -9.028 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.668 -9.284 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.626 -8.356 -5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.985 -10.403 -5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.802 -11.744 -6.550 1.00 0.00 H new ATOM 749 N THR A 49 -2.773 -6.449 -8.004 1.00 0.00 N ATOM 750 CA THR A 49 -1.467 -6.040 -8.507 1.00 0.00 C ATOM 751 C THR A 49 -1.086 -4.658 -7.987 1.00 0.00 C ATOM 752 O THR A 49 0.092 -4.304 -7.947 1.00 0.00 O ATOM 753 CB THR A 49 -1.438 -6.022 -10.047 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.918 -7.270 -10.560 1.00 0.00 O ATOM 755 CG2 THR A 49 -0.028 -5.767 -10.558 1.00 0.00 C ATOM 0 H THR A 49 -3.471 -6.614 -8.729 1.00 0.00 H new ATOM 0 HA THR A 49 -0.746 -6.773 -8.146 1.00 0.00 H new ATOM 0 HB THR A 49 -2.084 -5.215 -10.392 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.898 -7.250 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.032 -5.759 -11.648 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.324 -4.804 -10.189 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.636 -6.556 -10.204 1.00 0.00 H new ATOM 763 N GLN A 50 -2.090 -3.884 -7.589 1.00 0.00 N ATOM 764 CA GLN A 50 -1.858 -2.540 -7.071 1.00 0.00 C ATOM 765 C GLN A 50 -1.692 -2.562 -5.555 1.00 0.00 C ATOM 766 O GLN A 50 -0.746 -1.989 -5.015 1.00 0.00 O ATOM 767 CB GLN A 50 -3.015 -1.616 -7.456 1.00 0.00 C ATOM 768 CG GLN A 50 -2.954 -1.132 -8.895 1.00 0.00 C ATOM 769 CD GLN A 50 -3.667 0.190 -9.097 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.782 0.235 -9.619 1.00 0.00 O ATOM 771 NE2 GLN A 50 -3.027 1.278 -8.683 1.00 0.00 N ATOM 0 H GLN A 50 -3.071 -4.163 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.937 -2.161 -7.513 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.957 -2.142 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.016 -0.753 -6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.911 -1.028 -9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.400 -1.884 -9.546 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.104 1.195 -8.256 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.458 2.196 -8.792 1.00 0.00 H new ATOM 780 N VAL A 51 -2.619 -3.228 -4.872 1.00 0.00 N ATOM 781 CA VAL A 51 -2.575 -3.325 -3.418 1.00 0.00 C ATOM 782 C VAL A 51 -1.430 -4.223 -2.962 1.00 0.00 C ATOM 783 O VAL A 51 -0.963 -4.124 -1.827 1.00 0.00 O ATOM 784 CB VAL A 51 -3.899 -3.872 -2.852 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.701 -4.384 -1.433 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.979 -2.802 -2.896 1.00 0.00 C ATOM 0 H VAL A 51 -3.409 -3.708 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.415 -2.316 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.223 -4.708 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.647 -4.767 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.960 -5.183 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.354 -3.569 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.908 -3.206 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.666 -1.945 -2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.138 -2.488 -3.928 1.00 0.00 H new ATOM 796 N LYS A 52 -0.981 -5.098 -3.855 1.00 0.00 N ATOM 797 CA LYS A 52 0.112 -6.014 -3.546 1.00 0.00 C ATOM 798 C LYS A 52 1.440 -5.268 -3.464 1.00 0.00 C ATOM 799 O LYS A 52 2.240 -5.505 -2.558 1.00 0.00 O ATOM 800 CB LYS A 52 0.197 -7.114 -4.607 1.00 0.00 C ATOM 801 CG LYS A 52 -0.798 -8.242 -4.395 1.00 0.00 C ATOM 802 CD LYS A 52 -1.029 -9.029 -5.673 1.00 0.00 C ATOM 803 CE LYS A 52 0.218 -9.794 -6.090 1.00 0.00 C ATOM 804 NZ LYS A 52 -0.097 -10.889 -7.049 1.00 0.00 N ATOM 0 H LYS A 52 -1.357 -5.193 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.090 -6.468 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.030 -6.673 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.206 -7.527 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.431 -8.911 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.745 -7.832 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.854 -9.727 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.324 -8.349 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.930 -9.106 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.700 -10.213 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.779 -11.386 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.757 -11.559 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.533 -10.487 -7.903 1.00 0.00 H new ATOM 818 N ILE A 53 1.667 -4.366 -4.413 1.00 0.00 N ATOM 819 CA ILE A 53 2.897 -3.585 -4.445 1.00 0.00 C ATOM 820 C ILE A 53 2.916 -2.545 -3.330 1.00 0.00 C ATOM 821 O ILE A 53 3.952 -2.306 -2.709 1.00 0.00 O ATOM 822 CB ILE A 53 3.076 -2.873 -5.799 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.050 -3.890 -6.942 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.377 -2.084 -5.814 1.00 0.00 C ATOM 825 CD1 ILE A 53 3.009 -3.255 -8.314 1.00 0.00 C ATOM 0 H ILE A 53 1.015 -4.158 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 53 3.720 -4.285 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 53 2.249 -2.176 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.932 -4.527 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.180 -4.536 -6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.490 -1.586 -6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.359 -1.338 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.216 -2.762 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.992 -4.035 -9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.113 -2.641 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.892 -2.631 -8.453 1.00 0.00 H new ATOM 837 N TRP A 54 1.765 -1.931 -3.081 1.00 0.00 N ATOM 838 CA TRP A 54 1.650 -0.918 -2.038 1.00 0.00 C ATOM 839 C TRP A 54 2.080 -1.476 -0.686 1.00 0.00 C ATOM 840 O TRP A 54 2.682 -0.771 0.124 1.00 0.00 O ATOM 841 CB TRP A 54 0.212 -0.402 -1.957 1.00 0.00 C ATOM 842 CG TRP A 54 0.057 0.784 -1.053 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.148 2.080 -1.430 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.096 0.781 0.378 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.239 2.884 -0.319 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.093 2.111 0.802 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.271 -0.215 1.343 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.111 2.467 2.148 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.253 0.140 2.678 1.00 0.00 C ATOM 850 CH2 TRP A 54 0.062 1.471 3.071 1.00 0.00 C ATOM 0 H TRP A 54 0.899 -2.117 -3.587 1.00 0.00 H new ATOM 0 HA TRP A 54 2.312 -0.091 -2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.127 -0.134 -2.958 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.436 -1.205 -1.605 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.227 2.423 -2.451 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.391 3.893 -0.328 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.418 -1.244 1.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.256 3.493 2.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.389 -0.622 3.432 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.051 1.716 4.123 1.00 0.00 H new ATOM 861 N PHE A 55 1.768 -2.746 -0.448 1.00 0.00 N ATOM 862 CA PHE A 55 2.122 -3.398 0.807 1.00 0.00 C ATOM 863 C PHE A 55 3.577 -3.858 0.789 1.00 0.00 C ATOM 864 O PHE A 55 4.315 -3.652 1.752 1.00 0.00 O ATOM 865 CB PHE A 55 1.201 -4.592 1.063 1.00 0.00 C ATOM 866 CG PHE A 55 -0.036 -4.239 1.838 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.067 -3.533 1.239 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.169 -4.614 3.165 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.206 -3.206 1.950 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.307 -4.291 3.881 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.327 -3.587 3.272 1.00 0.00 C ATOM 0 H PHE A 55 1.271 -3.344 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 55 1.998 -2.673 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.909 -5.027 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.755 -5.358 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.979 -3.235 0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.626 -5.165 3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.001 -2.653 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.398 -4.589 4.915 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.218 -3.335 3.828 1.00 0.00 H new ATOM 881 N GLN A 56 3.981 -4.482 -0.313 1.00 0.00 N ATOM 882 CA GLN A 56 5.346 -4.973 -0.456 1.00 0.00 C ATOM 883 C GLN A 56 6.354 -3.850 -0.234 1.00 0.00 C ATOM 884 O GLN A 56 7.206 -3.933 0.649 1.00 0.00 O ATOM 885 CB GLN A 56 5.547 -5.588 -1.842 1.00 0.00 C ATOM 886 CG GLN A 56 6.643 -6.641 -1.887 1.00 0.00 C ATOM 887 CD GLN A 56 6.872 -7.185 -3.283 1.00 0.00 C ATOM 888 OE1 GLN A 56 7.416 -6.499 -4.148 1.00 0.00 O ATOM 889 NE2 GLN A 56 6.457 -8.426 -3.511 1.00 0.00 N ATOM 0 H GLN A 56 3.382 -4.659 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 56 5.511 -5.740 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.610 -6.037 -2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.787 -4.795 -2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.571 -6.210 -1.512 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.381 -7.462 -1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.011 -8.960 -2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.585 -8.845 -4.432 1.00 0.00 H new ATOM 898 N ASN A 57 6.251 -2.800 -1.043 1.00 0.00 N ATOM 899 CA ASN A 57 7.154 -1.660 -0.935 1.00 0.00 C ATOM 900 C ASN A 57 7.187 -1.125 0.493 1.00 0.00 C ATOM 901 O ASN A 57 8.247 -1.051 1.116 1.00 0.00 O ATOM 902 CB ASN A 57 6.725 -0.551 -1.897 1.00 0.00 C ATOM 903 CG ASN A 57 6.881 -0.954 -3.351 1.00 0.00 C ATOM 904 OD1 ASN A 57 6.873 -2.139 -3.682 1.00 0.00 O ATOM 905 ND2 ASN A 57 7.025 0.034 -4.227 1.00 0.00 N ATOM 0 H ASN A 57 5.551 -2.715 -1.780 1.00 0.00 H new ATOM 0 HA ASN A 57 8.156 -1.996 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.684 -0.290 -1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.319 0.343 -1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.135 -0.176 -5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.026 1.003 -3.908 1.00 0.00 H new ATOM 912 N LYS A 58 6.020 -0.754 1.007 1.00 0.00 N ATOM 913 CA LYS A 58 5.913 -0.228 2.363 1.00 0.00 C ATOM 914 C LYS A 58 6.814 -1.001 3.320 1.00 0.00 C ATOM 915 O LYS A 58 7.609 -0.412 4.053 1.00 0.00 O ATOM 916 CB LYS A 58 4.462 -0.295 2.845 1.00 0.00 C ATOM 917 CG LYS A 58 4.101 0.792 3.842 1.00 0.00 C ATOM 918 CD LYS A 58 3.756 2.097 3.144 1.00 0.00 C ATOM 919 CE LYS A 58 2.757 2.913 3.950 1.00 0.00 C ATOM 920 NZ LYS A 58 3.406 3.611 5.094 1.00 0.00 N ATOM 0 H LYS A 58 5.134 -0.808 0.505 1.00 0.00 H new ATOM 0 HA LYS A 58 6.237 0.813 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.798 -0.221 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.284 -1.269 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.254 0.466 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.936 0.953 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.664 2.680 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.343 1.885 2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.279 3.647 3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.970 2.258 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.692 4.156 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.840 2.910 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.140 4.255 4.736 1.00 0.00 H new ATOM 934 N ARG A 59 6.687 -2.324 3.307 1.00 0.00 N ATOM 935 CA ARG A 59 7.490 -3.178 4.173 1.00 0.00 C ATOM 936 C ARG A 59 8.977 -2.880 4.003 1.00 0.00 C ATOM 937 O ARG A 59 9.679 -2.599 4.974 1.00 0.00 O ATOM 938 CB ARG A 59 7.217 -4.652 3.868 1.00 0.00 C ATOM 939 CG ARG A 59 6.066 -5.237 4.670 1.00 0.00 C ATOM 940 CD ARG A 59 6.172 -6.750 4.774 1.00 0.00 C ATOM 941 NE ARG A 59 7.481 -7.175 5.261 1.00 0.00 N ATOM 942 CZ ARG A 59 7.808 -7.219 6.547 1.00 0.00 C ATOM 943 NH1 ARG A 59 6.925 -6.866 7.472 1.00 0.00 N ATOM 944 NH2 ARG A 59 9.020 -7.618 6.912 1.00 0.00 N ATOM 0 H ARG A 59 6.035 -2.828 2.706 1.00 0.00 H new ATOM 0 HA ARG A 59 7.210 -2.970 5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.000 -4.760 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.119 -5.229 4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.059 -4.802 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.120 -4.969 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.397 -7.122 5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.987 -7.194 3.796 1.00 0.00 H new ATOM 0 HE ARG A 59 8.183 -7.453 4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.992 -6.560 7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.179 -6.901 8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.702 -7.891 6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.270 -7.651 7.900 1.00 0.00 H new