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 Single : A 12 THR OG1 : rot 27:sc= 0.0952 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 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= -1.45 K(o=-1.5,f=-3.1) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.65) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -110:sc= 0.635 USER MOD Single : A 30 GLN : amide:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 43 SER OG : rot 81:sc= 0.889 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.056) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.47) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.943 12.270 -5.478 1.00 0.00 N ATOM 151 CA THR A 12 -0.070 11.220 -4.970 1.00 0.00 C ATOM 152 C THR A 12 -0.294 9.910 -5.716 1.00 0.00 C ATOM 153 O THR A 12 -1.355 9.691 -6.300 1.00 0.00 O ATOM 154 CB THR A 12 -0.293 10.984 -3.464 1.00 0.00 C ATOM 155 OG1 THR A 12 -0.121 12.211 -2.745 1.00 0.00 O ATOM 156 CG2 THR A 12 0.674 9.938 -2.931 1.00 0.00 C ATOM 0 HA THR A 12 0.955 11.556 -5.130 1.00 0.00 H new ATOM 0 HB THR A 12 -1.311 10.620 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.323 12.967 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.497 9.788 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.520 8.997 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.698 10.278 -3.085 1.00 0.00 H new ATOM 164 N ILE A 13 0.712 9.042 -5.692 1.00 0.00 N ATOM 165 CA ILE A 13 0.624 7.752 -6.366 1.00 0.00 C ATOM 166 C ILE A 13 -0.676 7.036 -6.014 1.00 0.00 C ATOM 167 O ILE A 13 -1.103 6.121 -6.718 1.00 0.00 O ATOM 168 CB ILE A 13 1.813 6.844 -6.002 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.134 7.534 -6.347 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.701 5.510 -6.724 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.665 8.413 -5.236 1.00 0.00 C ATOM 0 H ILE A 13 1.597 9.208 -5.213 1.00 0.00 H new ATOM 0 HA ILE A 13 0.647 7.953 -7.437 1.00 0.00 H new ATOM 0 HB ILE A 13 1.793 6.656 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.879 6.775 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.995 8.139 -7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.549 4.879 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.774 5.015 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.700 5.678 -7.801 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.603 8.870 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.939 9.194 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.836 7.809 -4.345 1.00 0.00 H new ATOM 183 N TYR A 14 -1.300 7.459 -4.920 1.00 0.00 N ATOM 184 CA TYR A 14 -2.551 6.858 -4.473 1.00 0.00 C ATOM 185 C TYR A 14 -3.514 7.923 -3.959 1.00 0.00 C ATOM 186 O TYR A 14 -3.103 8.892 -3.320 1.00 0.00 O ATOM 187 CB TYR A 14 -2.282 5.826 -3.377 1.00 0.00 C ATOM 188 CG TYR A 14 -1.739 4.515 -3.899 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.399 4.380 -4.238 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.568 3.410 -4.054 1.00 0.00 C ATOM 191 CE1 TYR A 14 0.101 3.185 -4.717 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.076 2.210 -4.530 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.742 2.102 -4.861 1.00 0.00 C ATOM 194 OH TYR A 14 -0.247 0.909 -5.336 1.00 0.00 O ATOM 0 H TYR A 14 -0.960 8.216 -4.327 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.011 6.360 -5.327 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.573 6.244 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.208 5.636 -2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.264 5.225 -4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.614 3.491 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.146 3.099 -4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.733 1.360 -4.642 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.969 0.248 -5.376 1.00 0.00 H new ATOM 204 N SER A 15 -4.799 7.736 -4.242 1.00 0.00 N ATOM 205 CA SER A 15 -5.823 8.681 -3.812 1.00 0.00 C ATOM 206 C SER A 15 -5.955 8.684 -2.292 1.00 0.00 C ATOM 207 O SER A 15 -5.806 7.649 -1.643 1.00 0.00 O ATOM 208 CB SER A 15 -7.168 8.335 -4.451 1.00 0.00 C ATOM 209 OG SER A 15 -8.089 9.403 -4.312 1.00 0.00 O ATOM 0 H SER A 15 -5.156 6.938 -4.768 1.00 0.00 H new ATOM 0 HA SER A 15 -5.521 9.677 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.025 8.110 -5.508 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.575 7.437 -3.986 1.00 0.00 H new ATOM 0 HG SER A 15 -8.940 9.157 -4.730 1.00 0.00 H new ATOM 215 N SER A 16 -6.235 9.856 -1.731 1.00 0.00 N ATOM 216 CA SER A 16 -6.384 9.996 -0.287 1.00 0.00 C ATOM 217 C SER A 16 -7.334 8.939 0.267 1.00 0.00 C ATOM 218 O SER A 16 -7.038 8.283 1.266 1.00 0.00 O ATOM 219 CB SER A 16 -6.899 11.394 0.061 1.00 0.00 C ATOM 220 OG SER A 16 -8.050 11.717 -0.701 1.00 0.00 O ATOM 0 H SER A 16 -6.363 10.722 -2.254 1.00 0.00 H new ATOM 0 HA SER A 16 -5.404 9.853 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.137 11.444 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.117 12.130 -0.125 1.00 0.00 H new ATOM 0 HG SER A 16 -8.361 12.614 -0.459 1.00 0.00 H new ATOM 226 N PHE A 17 -8.478 8.779 -0.390 1.00 0.00 N ATOM 227 CA PHE A 17 -9.474 7.803 0.035 1.00 0.00 C ATOM 228 C PHE A 17 -8.891 6.392 0.028 1.00 0.00 C ATOM 229 O PHE A 17 -9.113 5.614 0.955 1.00 0.00 O ATOM 230 CB PHE A 17 -10.702 7.864 -0.876 1.00 0.00 C ATOM 231 CG PHE A 17 -11.630 6.695 -0.711 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.496 6.628 0.368 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.636 5.663 -1.636 1.00 0.00 C ATOM 234 CE1 PHE A 17 -13.351 5.553 0.522 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.489 4.585 -1.487 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.348 4.530 -0.407 1.00 0.00 C ATOM 0 H PHE A 17 -8.738 9.313 -1.219 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.774 8.049 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.250 8.784 -0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.372 7.912 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.503 7.425 1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.967 5.701 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -14.021 5.513 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.484 3.787 -2.214 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.016 3.689 -0.289 1.00 0.00 H new ATOM 246 N GLN A 18 -8.146 6.072 -1.025 1.00 0.00 N ATOM 247 CA GLN A 18 -7.532 4.756 -1.154 1.00 0.00 C ATOM 248 C GLN A 18 -6.455 4.551 -0.093 1.00 0.00 C ATOM 249 O GLN A 18 -6.305 3.456 0.451 1.00 0.00 O ATOM 250 CB GLN A 18 -6.929 4.586 -2.549 1.00 0.00 C ATOM 251 CG GLN A 18 -7.969 4.427 -3.646 1.00 0.00 C ATOM 252 CD GLN A 18 -7.357 4.405 -5.033 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.195 4.769 -5.217 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.137 3.977 -6.018 1.00 0.00 N ATOM 0 H GLN A 18 -7.953 6.706 -1.801 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.308 4.005 -1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.305 5.451 -2.774 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.276 3.713 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.524 3.503 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.686 5.245 -3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.094 3.685 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.779 3.940 -6.973 1.00 0.00 H new ATOM 263 N LEU A 19 -5.707 5.611 0.196 1.00 0.00 N ATOM 264 CA LEU A 19 -4.643 5.547 1.192 1.00 0.00 C ATOM 265 C LEU A 19 -5.219 5.373 2.593 1.00 0.00 C ATOM 266 O LEU A 19 -4.874 4.430 3.304 1.00 0.00 O ATOM 267 CB LEU A 19 -3.787 6.813 1.133 1.00 0.00 C ATOM 268 CG LEU A 19 -2.645 6.805 0.116 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.760 8.028 0.297 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.827 5.529 0.244 1.00 0.00 C ATOM 0 H LEU A 19 -5.818 6.524 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.018 4.683 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.439 7.658 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.364 6.988 2.122 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.075 6.839 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.953 8.005 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.354 8.931 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.338 8.026 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.019 5.540 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.407 5.465 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.468 4.666 0.063 1.00 0.00 H new ATOM 282 N ALA A 20 -6.099 6.289 2.984 1.00 0.00 N ATOM 283 CA ALA A 20 -6.726 6.235 4.298 1.00 0.00 C ATOM 284 C ALA A 20 -6.964 4.793 4.734 1.00 0.00 C ATOM 285 O ALA A 20 -6.587 4.398 5.837 1.00 0.00 O ATOM 286 CB ALA A 20 -8.037 7.008 4.291 1.00 0.00 C ATOM 0 H ALA A 20 -6.394 7.078 2.408 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.048 6.698 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.494 6.959 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.844 8.049 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.713 6.571 3.557 1.00 0.00 H new ATOM 292 N ALA A 21 -7.591 4.011 3.861 1.00 0.00 N ATOM 293 CA ALA A 21 -7.877 2.613 4.156 1.00 0.00 C ATOM 294 C ALA A 21 -6.602 1.777 4.142 1.00 0.00 C ATOM 295 O ALA A 21 -6.328 1.028 5.081 1.00 0.00 O ATOM 296 CB ALA A 21 -8.885 2.059 3.160 1.00 0.00 C ATOM 0 H ALA A 21 -7.910 4.322 2.944 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.305 2.559 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.089 1.014 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.810 2.632 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.479 2.134 2.151 1.00 0.00 H new ATOM 302 N LEU A 22 -5.826 1.909 3.072 1.00 0.00 N ATOM 303 CA LEU A 22 -4.578 1.165 2.936 1.00 0.00 C ATOM 304 C LEU A 22 -3.743 1.263 4.208 1.00 0.00 C ATOM 305 O LEU A 22 -3.416 0.251 4.826 1.00 0.00 O ATOM 306 CB LEU A 22 -3.776 1.689 1.744 1.00 0.00 C ATOM 307 CG LEU A 22 -4.205 1.177 0.368 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.365 1.818 -0.726 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.098 -0.339 0.306 1.00 0.00 C ATOM 0 H LEU A 22 -6.038 2.524 2.286 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.826 0.117 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.838 2.777 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.728 1.430 1.895 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.247 1.454 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.685 1.442 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.493 2.900 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.315 1.572 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.407 -0.686 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.066 -0.639 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.744 -0.781 1.065 1.00 0.00 H new ATOM 321 N GLN A 23 -3.404 2.489 4.594 1.00 0.00 N ATOM 322 CA GLN A 23 -2.609 2.719 5.794 1.00 0.00 C ATOM 323 C GLN A 23 -3.295 2.131 7.023 1.00 0.00 C ATOM 324 O GLN A 23 -2.639 1.583 7.909 1.00 0.00 O ATOM 325 CB GLN A 23 -2.372 4.217 5.995 1.00 0.00 C ATOM 326 CG GLN A 23 -1.262 4.780 5.123 1.00 0.00 C ATOM 327 CD GLN A 23 -0.780 6.138 5.595 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.157 6.255 6.650 1.00 0.00 O ATOM 329 NE2 GLN A 23 -1.068 7.173 4.814 1.00 0.00 N ATOM 0 H GLN A 23 -3.667 3.338 4.093 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.648 2.221 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.297 4.754 5.783 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.129 4.401 7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.423 4.084 5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.618 4.862 4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.587 7.029 3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.770 8.111 5.081 1.00 0.00 H new ATOM 338 N ARG A 24 -4.618 2.250 7.070 1.00 0.00 N ATOM 339 CA ARG A 24 -5.392 1.731 8.191 1.00 0.00 C ATOM 340 C ARG A 24 -5.117 0.245 8.401 1.00 0.00 C ATOM 341 O ARG A 24 -4.851 -0.195 9.519 1.00 0.00 O ATOM 342 CB ARG A 24 -6.887 1.955 7.953 1.00 0.00 C ATOM 343 CG ARG A 24 -7.688 2.125 9.233 1.00 0.00 C ATOM 344 CD ARG A 24 -9.130 2.511 8.940 1.00 0.00 C ATOM 345 NE ARG A 24 -10.004 2.271 10.085 1.00 0.00 N ATOM 346 CZ ARG A 24 -11.318 2.465 10.060 1.00 0.00 C ATOM 347 NH1 ARG A 24 -11.906 2.899 8.954 1.00 0.00 N ATOM 348 NH2 ARG A 24 -12.046 2.224 11.143 1.00 0.00 N ATOM 0 H ARG A 24 -5.176 2.701 6.345 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.089 2.269 9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.019 2.841 7.332 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.288 1.110 7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.667 1.196 9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.224 2.891 9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.174 3.565 8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.491 1.942 8.083 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.583 1.936 10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.349 3.085 8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.915 3.047 8.937 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.597 1.890 11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.055 2.373 11.123 1.00 0.00 H new ATOM 362 N ARG A 25 -5.183 -0.523 7.318 1.00 0.00 N ATOM 363 CA ARG A 25 -4.942 -1.959 7.384 1.00 0.00 C ATOM 364 C ARG A 25 -3.461 -2.253 7.598 1.00 0.00 C ATOM 365 O ARG A 25 -3.097 -3.113 8.401 1.00 0.00 O ATOM 366 CB ARG A 25 -5.427 -2.638 6.101 1.00 0.00 C ATOM 367 CG ARG A 25 -5.418 -4.156 6.175 1.00 0.00 C ATOM 368 CD ARG A 25 -6.541 -4.678 7.058 1.00 0.00 C ATOM 369 NE ARG A 25 -7.804 -4.782 6.333 1.00 0.00 N ATOM 370 CZ ARG A 25 -8.985 -4.908 6.929 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.063 -4.945 8.252 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.090 -4.997 6.200 1.00 0.00 N ATOM 0 H ARG A 25 -5.401 -0.174 6.385 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.500 -2.357 8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.439 -2.299 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.797 -2.319 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.520 -4.571 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.459 -4.497 6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.267 -5.657 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.668 -4.015 7.913 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.778 -4.757 5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.215 -4.877 8.815 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.971 -5.042 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.033 -4.969 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.996 -5.094 6.658 1.00 0.00 H new ATOM 386 N PHE A 26 -2.609 -1.533 6.875 1.00 0.00 N ATOM 387 CA PHE A 26 -1.167 -1.717 6.985 1.00 0.00 C ATOM 388 C PHE A 26 -0.748 -1.873 8.444 1.00 0.00 C ATOM 389 O PHE A 26 -0.010 -2.794 8.793 1.00 0.00 O ATOM 390 CB PHE A 26 -0.430 -0.533 6.355 1.00 0.00 C ATOM 391 CG PHE A 26 1.030 -0.792 6.119 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.440 -1.850 5.324 1.00 0.00 C ATOM 393 CD2 PHE A 26 1.993 0.021 6.694 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.783 -2.091 5.104 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.338 -0.215 6.478 1.00 0.00 C ATOM 396 CZ PHE A 26 3.733 -1.273 5.683 1.00 0.00 C ATOM 0 H PHE A 26 -2.893 -0.817 6.207 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.901 -2.628 6.449 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.904 -0.284 5.406 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.536 0.337 7.003 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.701 -2.494 4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.690 0.849 7.318 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.089 -2.918 4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.079 0.427 6.930 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.783 -1.460 5.514 1.00 0.00 H new ATOM 406 N GLN A 27 -1.225 -0.966 9.291 1.00 0.00 N ATOM 407 CA GLN A 27 -0.899 -1.002 10.711 1.00 0.00 C ATOM 408 C GLN A 27 -1.328 -2.326 11.335 1.00 0.00 C ATOM 409 O GLN A 27 -0.558 -2.966 12.051 1.00 0.00 O ATOM 410 CB GLN A 27 -1.573 0.161 11.440 1.00 0.00 C ATOM 411 CG GLN A 27 -1.029 1.525 11.044 1.00 0.00 C ATOM 412 CD GLN A 27 0.486 1.563 11.018 1.00 0.00 C ATOM 413 OE1 GLN A 27 1.148 1.029 11.908 1.00 0.00 O ATOM 414 NE2 GLN A 27 1.044 2.197 9.993 1.00 0.00 N ATOM 0 H GLN A 27 -1.838 -0.198 9.018 1.00 0.00 H new ATOM 0 HA GLN A 27 0.182 -0.907 10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.644 0.134 11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.448 0.027 12.514 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.412 1.793 10.060 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.396 2.276 11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.457 2.625 9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.060 2.255 9.921 1.00 0.00 H new ATOM 423 N LYS A 28 -2.563 -2.731 11.059 1.00 0.00 N ATOM 424 CA LYS A 28 -3.097 -3.979 11.592 1.00 0.00 C ATOM 425 C LYS A 28 -2.147 -5.140 11.313 1.00 0.00 C ATOM 426 O LYS A 28 -1.678 -5.807 12.236 1.00 0.00 O ATOM 427 CB LYS A 28 -4.469 -4.273 10.982 1.00 0.00 C ATOM 428 CG LYS A 28 -5.383 -5.069 11.897 1.00 0.00 C ATOM 429 CD LYS A 28 -6.656 -5.492 11.183 1.00 0.00 C ATOM 430 CE LYS A 28 -7.805 -5.686 12.160 1.00 0.00 C ATOM 431 NZ LYS A 28 -8.557 -4.422 12.392 1.00 0.00 N ATOM 0 H LYS A 28 -3.214 -2.213 10.469 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.202 -3.868 12.671 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.954 -3.330 10.728 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.333 -4.822 10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.857 -5.952 12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.637 -4.469 12.771 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.928 -4.738 10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.478 -6.420 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.484 -6.447 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.416 -6.056 13.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.332 -4.597 13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.915 -3.703 12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.950 -4.082 11.491 1.00 0.00 H new ATOM 445 N THR A 29 -1.865 -5.374 10.035 1.00 0.00 N ATOM 446 CA THR A 29 -0.970 -6.453 9.636 1.00 0.00 C ATOM 447 C THR A 29 -0.274 -6.131 8.318 1.00 0.00 C ATOM 448 O THR A 29 -0.891 -5.603 7.394 1.00 0.00 O ATOM 449 CB THR A 29 -1.729 -7.786 9.490 1.00 0.00 C ATOM 450 OG1 THR A 29 -0.816 -8.834 9.143 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.812 -7.679 8.428 1.00 0.00 C ATOM 0 H THR A 29 -2.243 -4.831 9.259 1.00 0.00 H new ATOM 0 HA THR A 29 -0.223 -6.552 10.423 1.00 0.00 H new ATOM 0 HB THR A 29 -2.201 -8.016 10.445 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.979 -9.117 8.219 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.334 -8.632 8.343 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.521 -6.901 8.709 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.358 -7.427 7.469 1.00 0.00 H new ATOM 459 N GLN A 30 1.013 -6.453 8.240 1.00 0.00 N ATOM 460 CA GLN A 30 1.792 -6.197 7.035 1.00 0.00 C ATOM 461 C GLN A 30 1.369 -7.129 5.905 1.00 0.00 C ATOM 462 O GLN A 30 1.385 -6.749 4.734 1.00 0.00 O ATOM 463 CB GLN A 30 3.285 -6.369 7.321 1.00 0.00 C ATOM 464 CG GLN A 30 3.948 -5.116 7.870 1.00 0.00 C ATOM 465 CD GLN A 30 3.904 -5.047 9.383 1.00 0.00 C ATOM 466 OE1 GLN A 30 3.324 -4.124 9.958 1.00 0.00 O ATOM 467 NE2 GLN A 30 4.517 -6.025 10.039 1.00 0.00 N ATOM 0 H GLN A 30 1.538 -6.891 8.997 1.00 0.00 H new ATOM 0 HA GLN A 30 1.605 -5.169 6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.418 -7.183 8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.791 -6.665 6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.986 -5.084 7.539 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.454 -4.237 7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.985 -6.770 9.523 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.520 -6.031 11.059 1.00 0.00 H new ATOM 476 N TYR A 31 0.989 -8.351 6.263 1.00 0.00 N ATOM 477 CA TYR A 31 0.564 -9.339 5.278 1.00 0.00 C ATOM 478 C TYR A 31 -0.949 -9.531 5.318 1.00 0.00 C ATOM 479 O TYR A 31 -1.564 -9.494 6.385 1.00 0.00 O ATOM 480 CB TYR A 31 1.266 -10.674 5.529 1.00 0.00 C ATOM 481 CG TYR A 31 2.765 -10.551 5.685 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.328 -10.182 6.900 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.617 -10.805 4.618 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.697 -10.067 7.048 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.987 -10.694 4.756 1.00 0.00 C ATOM 486 CZ TYR A 31 5.522 -10.324 5.973 1.00 0.00 C ATOM 487 OH TYR A 31 6.886 -10.213 6.116 1.00 0.00 O ATOM 0 H TYR A 31 0.967 -8.681 7.228 1.00 0.00 H new ATOM 0 HA TYR A 31 0.839 -8.972 4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.852 -11.129 6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.050 -11.350 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.684 -9.981 7.744 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.201 -11.094 3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.118 -9.778 7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.636 -10.896 3.916 1.00 0.00 H new ATOM 0 HH TYR A 31 7.323 -10.429 5.266 1.00 0.00 H new ATOM 497 N LEU A 32 -1.543 -9.737 4.148 1.00 0.00 N ATOM 498 CA LEU A 32 -2.985 -9.936 4.047 1.00 0.00 C ATOM 499 C LEU A 32 -3.305 -11.251 3.342 1.00 0.00 C ATOM 500 O LEU A 32 -2.665 -11.608 2.354 1.00 0.00 O ATOM 501 CB LEU A 32 -3.629 -8.771 3.294 1.00 0.00 C ATOM 502 CG LEU A 32 -3.502 -7.396 3.951 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.037 -6.312 3.027 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.235 -7.372 5.284 1.00 0.00 C ATOM 0 H LEU A 32 -1.049 -9.771 3.256 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.393 -9.978 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.187 -8.719 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.688 -8.992 3.161 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.446 -7.199 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.939 -5.340 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.469 -6.313 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.088 -6.505 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.134 -6.386 5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.291 -7.591 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.806 -8.122 5.948 1.00 0.00 H new ATOM 516 N ALA A 33 -4.301 -11.965 3.857 1.00 0.00 N ATOM 517 CA ALA A 33 -4.708 -13.238 3.274 1.00 0.00 C ATOM 518 C ALA A 33 -5.251 -13.046 1.862 1.00 0.00 C ATOM 519 O ALA A 33 -5.481 -11.919 1.422 1.00 0.00 O ATOM 520 CB ALA A 33 -5.750 -13.912 4.155 1.00 0.00 C ATOM 0 H ALA A 33 -4.840 -11.684 4.676 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.829 -13.880 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.045 -14.861 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.329 -14.092 5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.623 -13.266 4.245 1.00 0.00 H new ATOM 526 N LEU A 34 -5.454 -14.153 1.156 1.00 0.00 N ATOM 527 CA LEU A 34 -5.969 -14.107 -0.208 1.00 0.00 C ATOM 528 C LEU A 34 -7.124 -13.116 -0.320 1.00 0.00 C ATOM 529 O LEU A 34 -7.069 -12.143 -1.073 1.00 0.00 O ATOM 530 CB LEU A 34 -6.431 -15.498 -0.647 1.00 0.00 C ATOM 531 CG LEU A 34 -7.625 -15.539 -1.600 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.224 -15.042 -2.981 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.194 -16.948 -1.683 1.00 0.00 C ATOM 0 H LEU A 34 -5.270 -15.093 1.506 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.164 -13.775 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.592 -16.003 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.683 -16.073 0.244 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.399 -14.879 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.087 -15.079 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.865 -14.015 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.432 -15.676 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.043 -16.958 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.426 -17.630 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.521 -17.267 -0.693 1.00 0.00 H new ATOM 545 N PRO A 35 -8.196 -13.367 0.447 1.00 0.00 N ATOM 546 CA PRO A 35 -9.383 -12.508 0.453 1.00 0.00 C ATOM 547 C PRO A 35 -9.115 -11.153 1.100 1.00 0.00 C ATOM 548 O PRO A 35 -9.584 -10.122 0.620 1.00 0.00 O ATOM 549 CB PRO A 35 -10.394 -13.305 1.281 1.00 0.00 C ATOM 550 CG PRO A 35 -9.562 -14.172 2.161 1.00 0.00 C ATOM 551 CD PRO A 35 -8.330 -14.509 1.367 1.00 0.00 C ATOM 0 HA PRO A 35 -9.725 -12.278 -0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.034 -12.645 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.048 -13.900 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.302 -13.655 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.103 -15.075 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.455 -14.614 2.008 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.444 -15.449 0.827 1.00 0.00 H new ATOM 559 N GLU A 36 -8.357 -11.164 2.192 1.00 0.00 N ATOM 560 CA GLU A 36 -8.027 -9.935 2.904 1.00 0.00 C ATOM 561 C GLU A 36 -7.456 -8.890 1.950 1.00 0.00 C ATOM 562 O GLU A 36 -7.833 -7.719 1.997 1.00 0.00 O ATOM 563 CB GLU A 36 -7.024 -10.221 4.024 1.00 0.00 C ATOM 564 CG GLU A 36 -7.608 -11.027 5.172 1.00 0.00 C ATOM 565 CD GLU A 36 -8.486 -10.192 6.084 1.00 0.00 C ATOM 566 OE1 GLU A 36 -8.047 -9.097 6.491 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.613 -10.635 6.389 1.00 0.00 O ATOM 0 H GLU A 36 -7.960 -12.009 2.602 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.945 -9.541 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.172 -10.760 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.645 -9.275 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.192 -11.855 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.796 -11.463 5.755 1.00 0.00 H new ATOM 574 N ARG A 37 -6.544 -9.322 1.086 1.00 0.00 N ATOM 575 CA ARG A 37 -5.919 -8.424 0.122 1.00 0.00 C ATOM 576 C ARG A 37 -6.931 -7.954 -0.919 1.00 0.00 C ATOM 577 O ARG A 37 -7.006 -6.767 -1.235 1.00 0.00 O ATOM 578 CB ARG A 37 -4.746 -9.121 -0.571 1.00 0.00 C ATOM 579 CG ARG A 37 -4.213 -8.364 -1.776 1.00 0.00 C ATOM 580 CD ARG A 37 -3.431 -9.278 -2.706 1.00 0.00 C ATOM 581 NE ARG A 37 -4.147 -10.520 -2.984 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.548 -11.647 -3.352 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.230 -11.688 -3.487 1.00 0.00 N ATOM 584 NH2 ARG A 37 -4.269 -12.737 -3.587 1.00 0.00 N ATOM 0 H ARG A 37 -6.221 -10.288 1.033 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.548 -7.553 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.938 -9.256 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.061 -10.115 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.043 -7.913 -2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.571 -7.549 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.232 -8.757 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.465 -9.509 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.163 -10.522 -2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.673 -10.853 -3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.773 -12.555 -3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.284 -12.709 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.808 -13.602 -3.870 1.00 0.00 H new ATOM 598 N ALA A 38 -7.707 -8.894 -1.449 1.00 0.00 N ATOM 599 CA ALA A 38 -8.715 -8.576 -2.452 1.00 0.00 C ATOM 600 C ALA A 38 -9.708 -7.545 -1.925 1.00 0.00 C ATOM 601 O ALA A 38 -10.131 -6.649 -2.655 1.00 0.00 O ATOM 602 CB ALA A 38 -9.443 -9.839 -2.887 1.00 0.00 C ATOM 0 H ALA A 38 -7.657 -9.882 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.209 -8.146 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.193 -9.587 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.728 -10.543 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.930 -10.293 -2.024 1.00 0.00 H new ATOM 608 N GLU A 39 -10.076 -7.680 -0.655 1.00 0.00 N ATOM 609 CA GLU A 39 -11.021 -6.761 -0.032 1.00 0.00 C ATOM 610 C GLU A 39 -10.642 -5.311 -0.324 1.00 0.00 C ATOM 611 O GLU A 39 -11.481 -4.510 -0.738 1.00 0.00 O ATOM 612 CB GLU A 39 -11.072 -6.992 1.479 1.00 0.00 C ATOM 613 CG GLU A 39 -12.113 -8.014 1.904 1.00 0.00 C ATOM 614 CD GLU A 39 -11.948 -9.344 1.195 1.00 0.00 C ATOM 615 OE1 GLU A 39 -12.090 -9.378 -0.045 1.00 0.00 O ATOM 616 OE2 GLU A 39 -11.677 -10.352 1.881 1.00 0.00 O ATOM 0 H GLU A 39 -9.734 -8.417 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.007 -6.953 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.091 -7.322 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.281 -6.045 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.045 -8.170 2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.108 -7.619 1.701 1.00 0.00 H new ATOM 623 N LEU A 40 -9.374 -4.982 -0.103 1.00 0.00 N ATOM 624 CA LEU A 40 -8.883 -3.630 -0.341 1.00 0.00 C ATOM 625 C LEU A 40 -8.996 -3.260 -1.817 1.00 0.00 C ATOM 626 O LEU A 40 -9.252 -2.107 -2.160 1.00 0.00 O ATOM 627 CB LEU A 40 -7.428 -3.506 0.116 1.00 0.00 C ATOM 628 CG LEU A 40 -7.101 -4.111 1.482 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.709 -3.694 1.931 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.141 -3.695 2.512 1.00 0.00 C ATOM 0 H LEU A 40 -8.668 -5.633 0.240 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.500 -2.941 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.792 -3.980 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.163 -2.449 0.136 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.122 -5.197 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.494 -4.134 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.973 -4.041 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.661 -2.608 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.892 -4.135 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.152 -2.609 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.125 -4.043 2.197 1.00 0.00 H new ATOM 642 N ALA A 41 -8.806 -4.249 -2.685 1.00 0.00 N ATOM 643 CA ALA A 41 -8.892 -4.029 -4.123 1.00 0.00 C ATOM 644 C ALA A 41 -10.334 -3.786 -4.557 1.00 0.00 C ATOM 645 O ALA A 41 -10.601 -2.938 -5.408 1.00 0.00 O ATOM 646 CB ALA A 41 -8.306 -5.215 -4.874 1.00 0.00 C ATOM 0 H ALA A 41 -8.592 -5.210 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.313 -3.138 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.377 -5.037 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.260 -5.341 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.861 -6.118 -4.618 1.00 0.00 H new ATOM 652 N ALA A 42 -11.259 -4.535 -3.966 1.00 0.00 N ATOM 653 CA ALA A 42 -12.673 -4.400 -4.291 1.00 0.00 C ATOM 654 C ALA A 42 -13.297 -3.224 -3.547 1.00 0.00 C ATOM 655 O ALA A 42 -14.283 -2.643 -4.001 1.00 0.00 O ATOM 656 CB ALA A 42 -13.415 -5.687 -3.963 1.00 0.00 C ATOM 0 H ALA A 42 -11.054 -5.242 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.758 -4.207 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.470 -5.572 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.993 -6.508 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.314 -5.905 -2.900 1.00 0.00 H new ATOM 662 N SER A 43 -12.716 -2.878 -2.403 1.00 0.00 N ATOM 663 CA SER A 43 -13.218 -1.773 -1.594 1.00 0.00 C ATOM 664 C SER A 43 -12.665 -0.441 -2.090 1.00 0.00 C ATOM 665 O SER A 43 -13.420 0.475 -2.418 1.00 0.00 O ATOM 666 CB SER A 43 -12.844 -1.978 -0.125 1.00 0.00 C ATOM 667 OG SER A 43 -13.505 -3.109 0.417 1.00 0.00 O ATOM 0 H SER A 43 -11.897 -3.347 -2.015 1.00 0.00 H new ATOM 0 HA SER A 43 -14.304 -1.752 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.765 -2.106 -0.036 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.108 -1.089 0.448 1.00 0.00 H new ATOM 0 HG SER A 43 -13.019 -3.923 0.168 1.00 0.00 H new ATOM 673 N LEU A 44 -11.342 -0.340 -2.143 1.00 0.00 N ATOM 674 CA LEU A 44 -10.685 0.880 -2.599 1.00 0.00 C ATOM 675 C LEU A 44 -10.800 1.027 -4.113 1.00 0.00 C ATOM 676 O LEU A 44 -10.487 2.078 -4.671 1.00 0.00 O ATOM 677 CB LEU A 44 -9.212 0.875 -2.187 1.00 0.00 C ATOM 678 CG LEU A 44 -8.923 0.501 -0.732 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.434 0.604 -0.440 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.717 1.390 0.214 1.00 0.00 C ATOM 0 H LEU A 44 -10.703 -1.088 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.184 1.728 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.677 0.179 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.799 1.866 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.232 -0.532 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.248 0.334 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.887 -0.075 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.099 1.626 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.499 1.110 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.438 2.432 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.783 1.266 0.022 1.00 0.00 H new ATOM 692 N GLY A 45 -11.254 -0.035 -4.773 1.00 0.00 N ATOM 693 CA GLY A 45 -11.405 -0.003 -6.216 1.00 0.00 C ATOM 694 C GLY A 45 -10.112 -0.318 -6.941 1.00 0.00 C ATOM 695 O GLY A 45 -9.983 -0.059 -8.139 1.00 0.00 O ATOM 0 H GLY A 45 -11.520 -0.916 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.169 -0.721 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.757 0.983 -6.520 1.00 0.00 H new ATOM 699 N LEU A 46 -9.150 -0.878 -6.216 1.00 0.00 N ATOM 700 CA LEU A 46 -7.859 -1.229 -6.797 1.00 0.00 C ATOM 701 C LEU A 46 -7.784 -2.722 -7.099 1.00 0.00 C ATOM 702 O LEU A 46 -8.699 -3.479 -6.773 1.00 0.00 O ATOM 703 CB LEU A 46 -6.726 -0.831 -5.850 1.00 0.00 C ATOM 704 CG LEU A 46 -6.731 0.621 -5.369 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.115 0.726 -3.983 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.988 1.511 -6.354 1.00 0.00 C ATOM 0 H LEU A 46 -9.240 -1.099 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.750 -0.683 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.764 -1.482 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.777 -1.024 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.765 0.961 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.127 1.766 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.689 0.120 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.086 0.368 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.001 2.540 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.956 1.172 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.473 1.459 -7.329 1.00 0.00 H new ATOM 718 N THR A 47 -6.687 -3.141 -7.722 1.00 0.00 N ATOM 719 CA THR A 47 -6.492 -4.543 -8.066 1.00 0.00 C ATOM 720 C THR A 47 -5.456 -5.194 -7.156 1.00 0.00 C ATOM 721 O THR A 47 -4.661 -4.507 -6.517 1.00 0.00 O ATOM 722 CB THR A 47 -6.045 -4.705 -9.531 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.896 -6.094 -9.848 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.732 -3.979 -9.780 1.00 0.00 C ATOM 0 H THR A 47 -5.920 -2.528 -7.999 1.00 0.00 H new ATOM 0 HA THR A 47 -7.453 -5.038 -7.930 1.00 0.00 H new ATOM 0 HB THR A 47 -6.811 -4.267 -10.171 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.613 -6.188 -10.782 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.437 -4.108 -10.821 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.857 -2.917 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.960 -4.391 -9.130 1.00 0.00 H new ATOM 732 N GLN A 48 -5.472 -6.522 -7.104 1.00 0.00 N ATOM 733 CA GLN A 48 -4.533 -7.265 -6.272 1.00 0.00 C ATOM 734 C GLN A 48 -3.094 -6.877 -6.596 1.00 0.00 C ATOM 735 O GLN A 48 -2.226 -6.883 -5.722 1.00 0.00 O ATOM 736 CB GLN A 48 -4.724 -8.770 -6.468 1.00 0.00 C ATOM 737 CG GLN A 48 -5.902 -9.339 -5.693 1.00 0.00 C ATOM 738 CD GLN A 48 -6.273 -10.739 -6.141 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.436 -11.480 -6.658 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.533 -11.109 -5.945 1.00 0.00 N ATOM 0 H GLN A 48 -6.125 -7.105 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.733 -7.014 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.865 -8.975 -7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.814 -9.286 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.660 -9.354 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.763 -8.682 -5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.193 -10.462 -5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.841 -12.040 -6.226 1.00 0.00 H new ATOM 749 N THR A 49 -2.847 -6.540 -7.858 1.00 0.00 N ATOM 750 CA THR A 49 -1.513 -6.151 -8.298 1.00 0.00 C ATOM 751 C THR A 49 -1.144 -4.767 -7.776 1.00 0.00 C ATOM 752 O THR A 49 0.029 -4.395 -7.755 1.00 0.00 O ATOM 753 CB THR A 49 -1.405 -6.153 -9.834 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.965 -7.360 -10.363 1.00 0.00 O ATOM 755 CG2 THR A 49 0.045 -6.026 -10.275 1.00 0.00 C ATOM 0 H THR A 49 -3.554 -6.529 -8.593 1.00 0.00 H new ATOM 0 HA THR A 49 -0.819 -6.887 -7.892 1.00 0.00 H new ATOM 0 HB THR A 49 -1.961 -5.297 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.894 -7.353 -11.340 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.096 -6.030 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.460 -5.092 -9.896 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.620 -6.865 -9.882 1.00 0.00 H new ATOM 763 N GLN A 50 -2.152 -4.009 -7.356 1.00 0.00 N ATOM 764 CA GLN A 50 -1.932 -2.666 -6.834 1.00 0.00 C ATOM 765 C GLN A 50 -1.729 -2.695 -5.323 1.00 0.00 C ATOM 766 O GLN A 50 -0.735 -2.183 -4.809 1.00 0.00 O ATOM 767 CB GLN A 50 -3.113 -1.760 -7.184 1.00 0.00 C ATOM 768 CG GLN A 50 -3.065 -1.219 -8.605 1.00 0.00 C ATOM 769 CD GLN A 50 -3.743 0.130 -8.739 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.858 0.230 -9.251 1.00 0.00 O ATOM 771 NE2 GLN A 50 -3.071 1.179 -8.278 1.00 0.00 N ATOM 0 H GLN A 50 -3.129 -4.302 -7.367 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.028 -2.268 -7.296 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.040 -2.317 -7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.138 -0.923 -6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.026 -1.132 -8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.544 -1.931 -9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.149 1.051 -7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.477 2.113 -8.341 1.00 0.00 H new ATOM 780 N VAL A 51 -2.679 -3.299 -4.615 1.00 0.00 N ATOM 781 CA VAL A 51 -2.604 -3.396 -3.162 1.00 0.00 C ATOM 782 C VAL A 51 -1.380 -4.193 -2.727 1.00 0.00 C ATOM 783 O VAL A 51 -0.872 -4.016 -1.619 1.00 0.00 O ATOM 784 CB VAL A 51 -3.867 -4.056 -2.578 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.603 -4.561 -1.168 1.00 0.00 C ATOM 786 CG2 VAL A 51 -5.034 -3.081 -2.594 1.00 0.00 C ATOM 0 H VAL A 51 -3.509 -3.728 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.525 -2.378 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.129 -4.911 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.507 -5.024 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.798 -5.296 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.314 -3.725 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.918 -3.564 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.784 -2.205 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.238 -2.774 -3.620 1.00 0.00 H new ATOM 796 N LYS A 52 -0.909 -5.071 -3.605 1.00 0.00 N ATOM 797 CA LYS A 52 0.258 -5.896 -3.314 1.00 0.00 C ATOM 798 C LYS A 52 1.529 -5.054 -3.303 1.00 0.00 C ATOM 799 O LYS A 52 2.261 -5.031 -2.313 1.00 0.00 O ATOM 800 CB LYS A 52 0.385 -7.018 -4.347 1.00 0.00 C ATOM 801 CG LYS A 52 -0.348 -8.289 -3.957 1.00 0.00 C ATOM 802 CD LYS A 52 0.086 -9.468 -4.812 1.00 0.00 C ATOM 803 CE LYS A 52 -0.754 -9.580 -6.075 1.00 0.00 C ATOM 804 NZ LYS A 52 -0.532 -10.875 -6.776 1.00 0.00 N ATOM 0 H LYS A 52 -1.318 -5.230 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 52 0.125 -6.335 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.000 -6.665 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.440 -7.248 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.159 -8.511 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.422 -8.138 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.136 -9.356 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.001 -10.388 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.809 -9.482 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.511 -8.757 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.122 -10.912 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.470 -10.958 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.788 -11.660 -6.144 1.00 0.00 H new ATOM 818 N ILE A 53 1.786 -4.362 -4.408 1.00 0.00 N ATOM 819 CA ILE A 53 2.968 -3.517 -4.523 1.00 0.00 C ATOM 820 C ILE A 53 2.981 -2.441 -3.443 1.00 0.00 C ATOM 821 O ILE A 53 4.029 -2.130 -2.875 1.00 0.00 O ATOM 822 CB ILE A 53 3.045 -2.842 -5.905 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.020 -3.896 -7.014 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.299 -1.987 -6.007 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.710 -3.328 -8.381 1.00 0.00 C ATOM 0 H ILE A 53 1.191 -4.370 -5.237 1.00 0.00 H new ATOM 0 HA ILE A 53 3.834 -4.167 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 53 2.176 -2.195 -6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.987 -4.398 -7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.276 -4.654 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.340 -1.516 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.278 -1.217 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.179 -2.615 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.709 -4.132 -9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.730 -2.851 -8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.467 -2.591 -8.649 1.00 0.00 H new ATOM 837 N TRP A 54 1.812 -1.877 -3.162 1.00 0.00 N ATOM 838 CA TRP A 54 1.689 -0.837 -2.148 1.00 0.00 C ATOM 839 C TRP A 54 2.219 -1.322 -0.803 1.00 0.00 C ATOM 840 O TRP A 54 3.051 -0.664 -0.178 1.00 0.00 O ATOM 841 CB TRP A 54 0.229 -0.402 -2.008 1.00 0.00 C ATOM 842 CG TRP A 54 0.041 0.759 -1.079 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.108 2.071 -1.428 1.00 0.00 C ATOM 844 CD2 TRP A 54 -0.016 0.713 0.351 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.254 2.843 -0.301 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.202 2.034 0.803 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.070 -0.316 1.292 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.302 2.350 2.155 1.00 0.00 C ATOM 849 CZ3 TRP A 54 -0.029 0.000 2.634 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.214 1.323 3.056 1.00 0.00 C ATOM 0 H TRP A 54 0.936 -2.123 -3.622 1.00 0.00 H new ATOM 0 HA TRP A 54 2.286 0.017 -2.466 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.160 -0.138 -2.991 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.361 -1.245 -1.648 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.111 2.446 -2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.381 3.855 -0.288 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.211 -1.339 0.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.444 3.370 2.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.037 -0.787 3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.289 1.537 4.112 1.00 0.00 H new ATOM 861 N PHE A 55 1.732 -2.477 -0.362 1.00 0.00 N ATOM 862 CA PHE A 55 2.157 -3.050 0.910 1.00 0.00 C ATOM 863 C PHE A 55 3.638 -3.417 0.874 1.00 0.00 C ATOM 864 O PHE A 55 4.394 -3.075 1.783 1.00 0.00 O ATOM 865 CB PHE A 55 1.321 -4.289 1.240 1.00 0.00 C ATOM 866 CG PHE A 55 0.074 -3.980 2.018 1.00 0.00 C ATOM 867 CD1 PHE A 55 -0.998 -3.345 1.410 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.028 -4.326 3.355 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.146 -3.059 2.123 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.175 -4.043 4.074 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.236 -3.410 3.457 1.00 0.00 C ATOM 0 H PHE A 55 1.043 -3.035 -0.866 1.00 0.00 H new ATOM 0 HA PHE A 55 2.005 -2.300 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.046 -4.790 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.932 -4.988 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.935 -3.071 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.798 -4.823 3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.973 -2.561 1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.241 -4.317 5.117 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.134 -3.190 4.015 1.00 0.00 H new ATOM 881 N GLN A 56 4.043 -4.115 -0.182 1.00 0.00 N ATOM 882 CA GLN A 56 5.432 -4.529 -0.336 1.00 0.00 C ATOM 883 C GLN A 56 6.373 -3.335 -0.214 1.00 0.00 C ATOM 884 O GLN A 56 7.195 -3.271 0.699 1.00 0.00 O ATOM 885 CB GLN A 56 5.635 -5.217 -1.688 1.00 0.00 C ATOM 886 CG GLN A 56 6.882 -6.084 -1.748 1.00 0.00 C ATOM 887 CD GLN A 56 7.350 -6.334 -3.168 1.00 0.00 C ATOM 888 OE1 GLN A 56 7.429 -5.412 -3.980 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.664 -7.587 -3.476 1.00 0.00 N ATOM 0 H GLN A 56 3.429 -4.405 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 56 5.664 -5.235 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.763 -5.833 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.693 -4.458 -2.468 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.682 -5.603 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.680 -7.039 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.584 -8.321 -2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.985 -7.816 -4.417 1.00 0.00 H new ATOM 898 N ASN A 57 6.246 -2.390 -1.140 1.00 0.00 N ATOM 899 CA ASN A 57 7.086 -1.198 -1.137 1.00 0.00 C ATOM 900 C ASN A 57 7.049 -0.511 0.225 1.00 0.00 C ATOM 901 O ASN A 57 8.032 0.093 0.655 1.00 0.00 O ATOM 902 CB ASN A 57 6.629 -0.224 -2.225 1.00 0.00 C ATOM 903 CG ASN A 57 7.105 -0.634 -3.605 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.498 -1.780 -3.823 1.00 0.00 O ATOM 905 ND2 ASN A 57 7.073 0.304 -4.545 1.00 0.00 N ATOM 0 H ASN A 57 5.569 -2.427 -1.902 1.00 0.00 H new ATOM 0 HA ASN A 57 8.112 -1.505 -1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.541 -0.165 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.003 0.774 -1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.382 0.087 -5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.739 1.241 -4.319 1.00 0.00 H new ATOM 912 N LYS A 58 5.908 -0.607 0.899 1.00 0.00 N ATOM 913 CA LYS A 58 5.742 0.003 2.213 1.00 0.00 C ATOM 914 C LYS A 58 6.562 -0.738 3.265 1.00 0.00 C ATOM 915 O LYS A 58 7.244 -0.120 4.082 1.00 0.00 O ATOM 916 CB LYS A 58 4.265 0.007 2.613 1.00 0.00 C ATOM 917 CG LYS A 58 3.533 1.279 2.224 1.00 0.00 C ATOM 918 CD LYS A 58 3.616 2.328 3.320 1.00 0.00 C ATOM 919 CE LYS A 58 2.804 3.565 2.971 1.00 0.00 C ATOM 920 NZ LYS A 58 3.071 4.689 3.911 1.00 0.00 N ATOM 0 H LYS A 58 5.084 -1.102 0.557 1.00 0.00 H new ATOM 0 HA LYS A 58 6.100 1.031 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.769 -0.845 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.189 -0.131 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.960 1.678 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.488 1.050 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.253 1.906 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.657 2.608 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.040 3.879 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.742 3.320 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.498 5.513 3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.822 4.399 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.079 4.941 3.874 1.00 0.00 H new ATOM 934 N ARG A 59 6.492 -2.065 3.237 1.00 0.00 N ATOM 935 CA ARG A 59 7.228 -2.889 4.187 1.00 0.00 C ATOM 936 C ARG A 59 8.680 -2.432 4.293 1.00 0.00 C ATOM 937 O ARG A 59 9.203 -2.241 5.391 1.00 0.00 O ATOM 938 CB ARG A 59 7.174 -4.360 3.769 1.00 0.00 C ATOM 939 CG ARG A 59 5.975 -5.108 4.327 1.00 0.00 C ATOM 940 CD ARG A 59 6.074 -6.601 4.056 1.00 0.00 C ATOM 941 NE ARG A 59 7.324 -7.166 4.557 1.00 0.00 N ATOM 942 CZ ARG A 59 7.511 -7.533 5.820 1.00 0.00 C ATOM 943 NH1 ARG A 59 6.534 -7.395 6.705 1.00 0.00 N ATOM 944 NH2 ARG A 59 8.677 -8.039 6.200 1.00 0.00 N ATOM 0 H ARG A 59 5.933 -2.592 2.566 1.00 0.00 H new ATOM 0 HA ARG A 59 6.758 -2.779 5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.154 -4.419 2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.087 -4.856 4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.905 -4.936 5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.061 -4.716 3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.232 -7.111 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.999 -6.781 2.984 1.00 0.00 H new ATOM 0 HE ARG A 59 8.096 -7.285 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.636 -7.006 6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.680 -7.678 7.674 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.431 -8.147 5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.819 -8.320 7.170 1.00 0.00 H new