USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 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 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 12 THR OG1 : rot 34:sc= 0.157 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= -2.75! C(o=-2.7!,f=-3.9!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.016) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -118:sc= 0.509 USER MOD Single : A 30 GLN : amide:sc= -0.0987 K(o=-0.099,f=-0.89) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.379 K(o=-0.38,f=-0.98) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= -0.583 (180deg=-0.647) USER MOD Single : A 56 GLN : amide:sc= -2.07! C(o=-2.1!,f=-1.9!) USER MOD Single : A 57 ASN : amide:sc= -0.503 K(o=-0.5,f=-3.3!) USER MOD Single : A 58 LYS NZ :NH3+ -128:sc= -1.01 (180deg=-3.39!) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.844 12.402 -5.467 1.00 0.00 N ATOM 151 CA THR A 12 -0.116 11.273 -4.902 1.00 0.00 C ATOM 152 C THR A 12 -0.349 10.005 -5.716 1.00 0.00 C ATOM 153 O THR A 12 -1.397 9.842 -6.342 1.00 0.00 O ATOM 154 CB THR A 12 -0.526 11.014 -3.440 1.00 0.00 C ATOM 155 OG1 THR A 12 -0.418 12.222 -2.680 1.00 0.00 O ATOM 156 CG2 THR A 12 0.347 9.936 -2.816 1.00 0.00 C ATOM 0 HA THR A 12 0.942 11.532 -4.934 1.00 0.00 H new ATOM 0 HB THR A 12 -1.561 10.671 -3.431 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.638 12.988 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.039 9.771 -1.784 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.240 9.009 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.389 10.255 -2.837 1.00 0.00 H new ATOM 164 N ILE A 13 0.633 9.110 -5.703 1.00 0.00 N ATOM 165 CA ILE A 13 0.533 7.856 -6.438 1.00 0.00 C ATOM 166 C ILE A 13 -0.760 7.122 -6.100 1.00 0.00 C ATOM 167 O ILE A 13 -1.177 6.213 -6.818 1.00 0.00 O ATOM 168 CB ILE A 13 1.728 6.931 -6.141 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.045 7.657 -6.424 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.630 5.657 -6.966 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.255 7.978 -7.887 1.00 0.00 C ATOM 0 H ILE A 13 1.507 9.230 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 13 0.537 8.111 -7.498 1.00 0.00 H new ATOM 0 HB ILE A 13 1.705 6.659 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.071 8.583 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.873 7.041 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.482 5.014 -6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.706 5.134 -6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.632 5.909 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.208 8.492 -8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.262 7.054 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.447 8.620 -8.238 1.00 0.00 H new ATOM 183 N TYR A 14 -1.391 7.523 -5.002 1.00 0.00 N ATOM 184 CA TYR A 14 -2.637 6.903 -4.567 1.00 0.00 C ATOM 185 C TYR A 14 -3.613 7.951 -4.040 1.00 0.00 C ATOM 186 O TYR A 14 -3.205 8.971 -3.484 1.00 0.00 O ATOM 187 CB TYR A 14 -2.361 5.858 -3.485 1.00 0.00 C ATOM 188 CG TYR A 14 -1.801 4.561 -4.025 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.448 4.434 -4.316 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.624 3.463 -4.242 1.00 0.00 C ATOM 191 CE1 TYR A 14 0.068 3.251 -4.810 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.116 2.276 -4.735 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.770 2.175 -5.017 1.00 0.00 C ATOM 194 OH TYR A 14 -0.260 0.995 -5.508 1.00 0.00 O ATOM 0 H TYR A 14 -1.060 8.275 -4.397 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.089 6.413 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.660 6.273 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.287 5.649 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.211 5.274 -4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.679 3.538 -4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.122 3.169 -5.033 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.770 1.432 -4.899 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.982 0.338 -5.595 1.00 0.00 H new ATOM 204 N SER A 15 -4.904 7.691 -4.218 1.00 0.00 N ATOM 205 CA SER A 15 -5.939 8.613 -3.764 1.00 0.00 C ATOM 206 C SER A 15 -6.044 8.604 -2.242 1.00 0.00 C ATOM 207 O SER A 15 -5.731 7.606 -1.592 1.00 0.00 O ATOM 208 CB SER A 15 -7.288 8.242 -4.381 1.00 0.00 C ATOM 209 OG SER A 15 -8.243 9.269 -4.176 1.00 0.00 O ATOM 0 H SER A 15 -5.258 6.850 -4.673 1.00 0.00 H new ATOM 0 HA SER A 15 -5.664 9.617 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.166 8.063 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.649 7.312 -3.941 1.00 0.00 H new ATOM 0 HG SER A 15 -9.096 9.008 -4.581 1.00 0.00 H new ATOM 215 N SER A 16 -6.486 9.724 -1.679 1.00 0.00 N ATOM 216 CA SER A 16 -6.630 9.848 -0.233 1.00 0.00 C ATOM 217 C SER A 16 -7.588 8.793 0.311 1.00 0.00 C ATOM 218 O SER A 16 -7.372 8.236 1.387 1.00 0.00 O ATOM 219 CB SER A 16 -7.131 11.246 0.133 1.00 0.00 C ATOM 220 OG SER A 16 -8.359 11.533 -0.514 1.00 0.00 O ATOM 0 H SER A 16 -6.751 10.559 -2.202 1.00 0.00 H new ATOM 0 HA SER A 16 -5.651 9.691 0.219 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.260 11.319 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.385 11.989 -0.150 1.00 0.00 H new ATOM 0 HG SER A 16 -8.659 12.431 -0.263 1.00 0.00 H new ATOM 226 N PHE A 17 -8.650 8.523 -0.442 1.00 0.00 N ATOM 227 CA PHE A 17 -9.644 7.536 -0.037 1.00 0.00 C ATOM 228 C PHE A 17 -9.034 6.138 0.011 1.00 0.00 C ATOM 229 O PHE A 17 -9.303 5.364 0.929 1.00 0.00 O ATOM 230 CB PHE A 17 -10.832 7.553 -1.000 1.00 0.00 C ATOM 231 CG PHE A 17 -11.739 6.364 -0.855 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.436 6.148 0.323 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.894 5.463 -1.896 1.00 0.00 C ATOM 234 CE1 PHE A 17 -13.270 5.055 0.460 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.727 4.368 -1.765 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.416 4.164 -0.586 1.00 0.00 C ATOM 0 H PHE A 17 -8.844 8.974 -1.336 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.992 7.796 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.410 8.463 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.459 7.593 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.326 6.842 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.358 5.618 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.807 4.897 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.839 3.673 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.068 3.309 -0.482 1.00 0.00 H new ATOM 246 N GLN A 18 -8.211 5.824 -0.985 1.00 0.00 N ATOM 247 CA GLN A 18 -7.564 4.519 -1.057 1.00 0.00 C ATOM 248 C GLN A 18 -6.463 4.399 -0.009 1.00 0.00 C ATOM 249 O GLN A 18 -6.278 3.341 0.594 1.00 0.00 O ATOM 250 CB GLN A 18 -6.982 4.291 -2.453 1.00 0.00 C ATOM 251 CG GLN A 18 -8.016 4.376 -3.564 1.00 0.00 C ATOM 252 CD GLN A 18 -7.405 4.222 -4.943 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.277 4.650 -5.186 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.149 3.606 -5.855 1.00 0.00 N ATOM 0 H GLN A 18 -7.977 6.454 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.317 3.757 -0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.201 5.029 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.507 3.310 -2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.768 3.601 -3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.530 5.335 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.079 3.267 -5.610 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.790 3.472 -6.800 1.00 0.00 H new ATOM 263 N LEU A 19 -5.734 5.489 0.204 1.00 0.00 N ATOM 264 CA LEU A 19 -4.650 5.506 1.180 1.00 0.00 C ATOM 265 C LEU A 19 -5.196 5.426 2.602 1.00 0.00 C ATOM 266 O LEU A 19 -4.738 4.618 3.409 1.00 0.00 O ATOM 267 CB LEU A 19 -3.808 6.773 1.015 1.00 0.00 C ATOM 268 CG LEU A 19 -2.670 6.694 -0.004 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.896 8.003 -0.041 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.743 5.533 0.321 1.00 0.00 C ATOM 0 H LEU A 19 -5.874 6.373 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.021 4.634 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.470 7.590 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.383 7.032 1.985 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.102 6.523 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.090 7.929 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.567 8.815 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.475 8.205 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.939 5.492 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.318 5.674 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.306 4.600 0.296 1.00 0.00 H new ATOM 282 N ALA A 20 -6.179 6.270 2.901 1.00 0.00 N ATOM 283 CA ALA A 20 -6.790 6.292 4.224 1.00 0.00 C ATOM 284 C ALA A 20 -7.047 4.878 4.734 1.00 0.00 C ATOM 285 O ALA A 20 -6.726 4.552 5.876 1.00 0.00 O ATOM 286 CB ALA A 20 -8.087 7.087 4.192 1.00 0.00 C ATOM 0 H ALA A 20 -6.569 6.947 2.245 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.095 6.777 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.533 7.096 5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.879 8.110 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.779 6.626 3.488 1.00 0.00 H new ATOM 292 N ALA A 21 -7.629 4.042 3.879 1.00 0.00 N ATOM 293 CA ALA A 21 -7.927 2.663 4.244 1.00 0.00 C ATOM 294 C ALA A 21 -6.665 1.807 4.233 1.00 0.00 C ATOM 295 O ALA A 21 -6.448 0.992 5.131 1.00 0.00 O ATOM 296 CB ALA A 21 -8.970 2.082 3.300 1.00 0.00 C ATOM 0 H ALA A 21 -7.903 4.296 2.930 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.327 2.659 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.184 1.051 3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.884 2.672 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.590 2.106 2.279 1.00 0.00 H new ATOM 302 N LEU A 22 -5.837 1.995 3.212 1.00 0.00 N ATOM 303 CA LEU A 22 -4.596 1.240 3.084 1.00 0.00 C ATOM 304 C LEU A 22 -3.718 1.422 4.318 1.00 0.00 C ATOM 305 O LEU A 22 -3.437 0.464 5.038 1.00 0.00 O ATOM 306 CB LEU A 22 -3.834 1.680 1.833 1.00 0.00 C ATOM 307 CG LEU A 22 -4.355 1.133 0.503 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.687 1.843 -0.664 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.127 -0.369 0.418 1.00 0.00 C ATOM 0 H LEU A 22 -6.003 2.664 2.460 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.850 0.184 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.850 2.769 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.792 1.381 1.943 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.427 1.321 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.070 1.441 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.902 2.910 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.609 1.688 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.504 -0.741 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.060 -0.580 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.653 -0.864 1.234 1.00 0.00 H new ATOM 321 N GLN A 23 -3.290 2.657 4.557 1.00 0.00 N ATOM 322 CA GLN A 23 -2.445 2.965 5.705 1.00 0.00 C ATOM 323 C GLN A 23 -3.072 2.447 6.995 1.00 0.00 C ATOM 324 O GLN A 23 -2.374 2.191 7.977 1.00 0.00 O ATOM 325 CB GLN A 23 -2.214 4.473 5.805 1.00 0.00 C ATOM 326 CG GLN A 23 -1.042 4.966 4.972 1.00 0.00 C ATOM 327 CD GLN A 23 -0.472 6.274 5.483 1.00 0.00 C ATOM 328 OE1 GLN A 23 0.395 6.288 6.358 1.00 0.00 O ATOM 329 NE2 GLN A 23 -0.956 7.384 4.938 1.00 0.00 N ATOM 0 H GLN A 23 -3.514 3.461 3.971 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.486 2.467 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.118 4.992 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.044 4.738 6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.258 4.209 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.364 5.094 3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.674 7.326 4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.610 8.294 5.242 1.00 0.00 H new ATOM 338 N ARG A 24 -4.392 2.296 6.987 1.00 0.00 N ATOM 339 CA ARG A 24 -5.113 1.811 8.158 1.00 0.00 C ATOM 340 C ARG A 24 -4.986 0.296 8.285 1.00 0.00 C ATOM 341 O ARG A 24 -4.891 -0.239 9.390 1.00 0.00 O ATOM 342 CB ARG A 24 -6.589 2.205 8.075 1.00 0.00 C ATOM 343 CG ARG A 24 -7.472 1.472 9.071 1.00 0.00 C ATOM 344 CD ARG A 24 -8.644 2.333 9.515 1.00 0.00 C ATOM 345 NE ARG A 24 -8.203 3.593 10.109 1.00 0.00 N ATOM 346 CZ ARG A 24 -8.991 4.378 10.836 1.00 0.00 C ATOM 347 NH1 ARG A 24 -10.252 4.034 11.058 1.00 0.00 N ATOM 348 NH2 ARG A 24 -8.517 5.508 11.343 1.00 0.00 N ATOM 0 H ARG A 24 -4.984 2.502 6.183 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.671 2.271 9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.680 3.278 8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.953 2.008 7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.845 0.552 8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.881 1.184 9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.286 2.541 8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.245 1.782 10.238 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.238 3.886 9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.619 3.165 10.670 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.855 4.638 11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.547 5.775 11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.122 6.110 11.901 1.00 0.00 H new ATOM 362 N ARG A 25 -4.986 -0.390 7.147 1.00 0.00 N ATOM 363 CA ARG A 25 -4.874 -1.844 7.130 1.00 0.00 C ATOM 364 C ARG A 25 -3.429 -2.279 7.359 1.00 0.00 C ATOM 365 O ARG A 25 -3.168 -3.250 8.071 1.00 0.00 O ATOM 366 CB ARG A 25 -5.381 -2.401 5.799 1.00 0.00 C ATOM 367 CG ARG A 25 -5.489 -3.917 5.775 1.00 0.00 C ATOM 368 CD ARG A 25 -6.675 -4.403 6.594 1.00 0.00 C ATOM 369 NE ARG A 25 -7.915 -4.393 5.823 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.099 -4.715 6.331 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.203 -5.071 7.604 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.182 -4.681 5.565 1.00 0.00 N ATOM 0 H ARG A 25 -5.062 0.038 6.224 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.488 -2.241 7.938 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.360 -1.972 5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.711 -2.080 5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.591 -4.260 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.571 -4.355 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.479 -5.414 6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.791 -3.771 7.474 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.869 -4.124 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.372 -5.098 8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.114 -5.318 7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.105 -4.407 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.091 -4.928 5.956 1.00 0.00 H new ATOM 386 N PHE A 26 -2.495 -1.556 6.751 1.00 0.00 N ATOM 387 CA PHE A 26 -1.077 -1.869 6.887 1.00 0.00 C ATOM 388 C PHE A 26 -0.694 -2.029 8.355 1.00 0.00 C ATOM 389 O PHE A 26 0.000 -2.976 8.726 1.00 0.00 O ATOM 390 CB PHE A 26 -0.227 -0.771 6.244 1.00 0.00 C ATOM 391 CG PHE A 26 1.208 -1.165 6.043 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.536 -2.277 5.284 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.230 -0.423 6.614 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.856 -2.641 5.097 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.552 -0.782 6.430 1.00 0.00 C ATOM 396 CZ PHE A 26 3.865 -1.894 5.672 1.00 0.00 C ATOM 0 H PHE A 26 -2.694 -0.749 6.159 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.888 -2.813 6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.661 -0.504 5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.266 0.121 6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.751 -2.866 4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.991 0.446 7.210 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.098 -3.509 4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.339 -0.194 6.878 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.897 -2.178 5.529 1.00 0.00 H new ATOM 406 N GLN A 27 -1.151 -1.097 9.185 1.00 0.00 N ATOM 407 CA GLN A 27 -0.855 -1.134 10.612 1.00 0.00 C ATOM 408 C GLN A 27 -1.277 -2.468 11.221 1.00 0.00 C ATOM 409 O GLN A 27 -0.516 -3.093 11.960 1.00 0.00 O ATOM 410 CB GLN A 27 -1.564 0.015 11.332 1.00 0.00 C ATOM 411 CG GLN A 27 -1.166 1.390 10.820 1.00 0.00 C ATOM 412 CD GLN A 27 0.264 1.752 11.171 1.00 0.00 C ATOM 413 OE1 GLN A 27 1.106 1.925 10.290 1.00 0.00 O ATOM 414 NE2 GLN A 27 0.545 1.870 12.463 1.00 0.00 N ATOM 0 H GLN A 27 -1.727 -0.307 8.894 1.00 0.00 H new ATOM 0 HA GLN A 27 0.222 -1.022 10.737 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.641 -0.107 11.221 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.345 -0.044 12.398 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.289 1.420 9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.839 2.138 11.238 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.184 1.718 13.160 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.490 2.113 12.759 1.00 0.00 H new ATOM 423 N LYS A 28 -2.493 -2.898 10.906 1.00 0.00 N ATOM 424 CA LYS A 28 -3.017 -4.158 11.420 1.00 0.00 C ATOM 425 C LYS A 28 -2.074 -5.312 11.097 1.00 0.00 C ATOM 426 O LYS A 28 -1.694 -6.083 11.979 1.00 0.00 O ATOM 427 CB LYS A 28 -4.402 -4.437 10.831 1.00 0.00 C ATOM 428 CG LYS A 28 -5.008 -5.749 11.297 1.00 0.00 C ATOM 429 CD LYS A 28 -5.501 -5.657 12.732 1.00 0.00 C ATOM 430 CE LYS A 28 -6.902 -5.068 12.803 1.00 0.00 C ATOM 431 NZ LYS A 28 -7.171 -4.436 14.124 1.00 0.00 N ATOM 0 H LYS A 28 -3.135 -2.392 10.296 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.100 -4.072 12.503 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.073 -3.621 11.100 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.330 -4.446 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.837 -6.021 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.265 -6.543 11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.499 -6.649 13.183 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.816 -5.041 13.314 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.025 -4.326 12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.636 -5.853 12.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.135 -4.047 14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.079 -5.149 14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.487 -3.670 14.288 1.00 0.00 H new ATOM 445 N THR A 29 -1.696 -5.424 9.828 1.00 0.00 N ATOM 446 CA THR A 29 -0.796 -6.483 9.388 1.00 0.00 C ATOM 447 C THR A 29 -0.092 -6.104 8.091 1.00 0.00 C ATOM 448 O THR A 29 -0.699 -5.521 7.193 1.00 0.00 O ATOM 449 CB THR A 29 -1.550 -7.810 9.181 1.00 0.00 C ATOM 450 OG1 THR A 29 -0.623 -8.858 8.876 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.568 -7.684 8.057 1.00 0.00 C ATOM 0 H THR A 29 -1.999 -4.794 9.086 1.00 0.00 H new ATOM 0 HA THR A 29 -0.054 -6.614 10.175 1.00 0.00 H new ATOM 0 HB THR A 29 -2.078 -8.050 10.104 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.812 -9.212 7.982 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.088 -8.633 7.929 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.289 -6.905 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.057 -7.423 7.131 1.00 0.00 H new ATOM 459 N GLN A 30 1.191 -6.438 8.000 1.00 0.00 N ATOM 460 CA GLN A 30 1.978 -6.132 6.811 1.00 0.00 C ATOM 461 C GLN A 30 1.647 -7.096 5.676 1.00 0.00 C ATOM 462 O GLN A 30 1.859 -6.786 4.504 1.00 0.00 O ATOM 463 CB GLN A 30 3.472 -6.195 7.132 1.00 0.00 C ATOM 464 CG GLN A 30 4.015 -4.921 7.758 1.00 0.00 C ATOM 465 CD GLN A 30 3.558 -4.735 9.192 1.00 0.00 C ATOM 466 OE1 GLN A 30 3.456 -5.698 9.953 1.00 0.00 O ATOM 467 NE2 GLN A 30 3.281 -3.493 9.569 1.00 0.00 N ATOM 0 H GLN A 30 1.708 -6.921 8.735 1.00 0.00 H new ATOM 0 HA GLN A 30 1.726 -5.122 6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.654 -7.029 7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.023 -6.403 6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.104 -4.941 7.728 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.695 -4.064 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.379 -2.725 8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.970 -3.307 10.522 1.00 0.00 H new ATOM 476 N TYR A 31 1.129 -8.265 6.033 1.00 0.00 N ATOM 477 CA TYR A 31 0.772 -9.276 5.045 1.00 0.00 C ATOM 478 C TYR A 31 -0.724 -9.572 5.084 1.00 0.00 C ATOM 479 O TYR A 31 -1.286 -9.857 6.142 1.00 0.00 O ATOM 480 CB TYR A 31 1.564 -10.562 5.290 1.00 0.00 C ATOM 481 CG TYR A 31 2.962 -10.530 4.717 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.866 -9.544 5.091 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.380 -11.489 3.802 1.00 0.00 C ATOM 484 CE1 TYR A 31 5.144 -9.511 4.569 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.658 -11.465 3.275 1.00 0.00 C ATOM 486 CZ TYR A 31 5.536 -10.474 3.662 1.00 0.00 C ATOM 487 OH TYR A 31 6.809 -10.445 3.140 1.00 0.00 O ATOM 0 H TYR A 31 0.947 -8.536 6.999 1.00 0.00 H new ATOM 0 HA TYR A 31 1.021 -8.886 4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.624 -10.743 6.363 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.021 -11.401 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.564 -8.790 5.803 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.695 -12.266 3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.833 -8.735 4.869 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.967 -12.218 2.565 1.00 0.00 H new ATOM 0 HH TYR A 31 6.924 -11.193 2.518 1.00 0.00 H new ATOM 497 N LEU A 32 -1.365 -9.503 3.922 1.00 0.00 N ATOM 498 CA LEU A 32 -2.796 -9.764 3.820 1.00 0.00 C ATOM 499 C LEU A 32 -3.059 -11.112 3.157 1.00 0.00 C ATOM 500 O LEU A 32 -2.295 -11.551 2.297 1.00 0.00 O ATOM 501 CB LEU A 32 -3.483 -8.650 3.028 1.00 0.00 C ATOM 502 CG LEU A 32 -3.216 -7.223 3.508 1.00 0.00 C ATOM 503 CD1 LEU A 32 -3.687 -6.215 2.471 1.00 0.00 C ATOM 504 CD2 LEU A 32 -3.899 -6.973 4.845 1.00 0.00 C ATOM 0 H LEU A 32 -0.916 -9.268 3.037 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.207 -9.791 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.171 -8.726 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.559 -8.825 3.052 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.141 -7.101 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.489 -5.205 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.153 -6.379 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.757 -6.338 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.698 -5.953 5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.974 -7.114 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.514 -7.673 5.587 1.00 0.00 H new ATOM 516 N ALA A 33 -4.145 -11.763 3.560 1.00 0.00 N ATOM 517 CA ALA A 33 -4.510 -13.058 3.001 1.00 0.00 C ATOM 518 C ALA A 33 -5.121 -12.905 1.612 1.00 0.00 C ATOM 519 O ALA A 33 -5.168 -11.804 1.062 1.00 0.00 O ATOM 520 CB ALA A 33 -5.478 -13.779 3.928 1.00 0.00 C ATOM 0 H ALA A 33 -4.787 -11.414 4.272 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.602 -13.653 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.742 -14.745 3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.007 -13.931 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.379 -13.178 4.052 1.00 0.00 H new ATOM 526 N LEU A 34 -5.586 -14.015 1.050 1.00 0.00 N ATOM 527 CA LEU A 34 -6.194 -14.004 -0.276 1.00 0.00 C ATOM 528 C LEU A 34 -7.354 -13.015 -0.336 1.00 0.00 C ATOM 529 O LEU A 34 -7.350 -12.062 -1.116 1.00 0.00 O ATOM 530 CB LEU A 34 -6.683 -15.405 -0.646 1.00 0.00 C ATOM 531 CG LEU A 34 -7.941 -15.469 -1.514 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.663 -14.905 -2.899 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.450 -16.900 -1.611 1.00 0.00 C ATOM 0 H LEU A 34 -5.554 -14.934 1.492 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.436 -13.689 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.879 -15.923 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.872 -15.957 0.275 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.714 -14.861 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.569 -14.959 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.346 -13.866 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.874 -15.486 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.345 -16.926 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.681 -17.530 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.689 -17.269 -0.614 1.00 0.00 H new ATOM 545 N PRO A 35 -8.370 -13.244 0.508 1.00 0.00 N ATOM 546 CA PRO A 35 -9.555 -12.382 0.573 1.00 0.00 C ATOM 547 C PRO A 35 -9.243 -11.012 1.164 1.00 0.00 C ATOM 548 O PRO A 35 -9.653 -9.985 0.623 1.00 0.00 O ATOM 549 CB PRO A 35 -10.507 -13.156 1.488 1.00 0.00 C ATOM 550 CG PRO A 35 -9.617 -14.001 2.332 1.00 0.00 C ATOM 551 CD PRO A 35 -8.442 -14.361 1.465 1.00 0.00 C ATOM 0 HA PRO A 35 -9.965 -12.178 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.107 -12.480 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.202 -13.766 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.294 -13.460 3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.138 -14.895 2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.525 -14.451 2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.593 -15.315 0.959 1.00 0.00 H new ATOM 559 N GLU A 36 -8.516 -11.004 2.277 1.00 0.00 N ATOM 560 CA GLU A 36 -8.151 -9.758 2.941 1.00 0.00 C ATOM 561 C GLU A 36 -7.534 -8.774 1.951 1.00 0.00 C ATOM 562 O GLU A 36 -7.838 -7.582 1.974 1.00 0.00 O ATOM 563 CB GLU A 36 -7.170 -10.032 4.083 1.00 0.00 C ATOM 564 CG GLU A 36 -7.849 -10.317 5.413 1.00 0.00 C ATOM 565 CD GLU A 36 -8.747 -11.537 5.359 1.00 0.00 C ATOM 566 OE1 GLU A 36 -8.215 -12.667 5.380 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.982 -11.363 5.296 1.00 0.00 O ATOM 0 H GLU A 36 -8.169 -11.845 2.737 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.059 -9.314 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.542 -10.882 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.510 -9.172 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.089 -10.463 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.438 -9.449 5.709 1.00 0.00 H new ATOM 574 N ARG A 37 -6.666 -9.283 1.083 1.00 0.00 N ATOM 575 CA ARG A 37 -6.005 -8.450 0.086 1.00 0.00 C ATOM 576 C ARG A 37 -7.000 -7.966 -0.964 1.00 0.00 C ATOM 577 O ARG A 37 -6.959 -6.811 -1.386 1.00 0.00 O ATOM 578 CB ARG A 37 -4.872 -9.227 -0.588 1.00 0.00 C ATOM 579 CG ARG A 37 -4.316 -8.541 -1.825 1.00 0.00 C ATOM 580 CD ARG A 37 -3.113 -9.286 -2.382 1.00 0.00 C ATOM 581 NE ARG A 37 -3.210 -10.726 -2.159 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.949 -11.537 -2.907 1.00 0.00 C ATOM 583 NH1 ARG A 37 -4.652 -11.052 -3.921 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.986 -12.837 -2.641 1.00 0.00 N ATOM 0 H ARG A 37 -6.404 -10.268 1.050 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.588 -7.580 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.065 -9.373 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.235 -10.217 -0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.092 -8.479 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.030 -7.519 -1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.028 -9.090 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.204 -8.907 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.681 -11.131 -1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.626 -10.054 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.219 -11.677 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.447 -13.214 -1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.554 -13.459 -3.216 1.00 0.00 H new ATOM 598 N ALA A 38 -7.892 -8.858 -1.382 1.00 0.00 N ATOM 599 CA ALA A 38 -8.898 -8.521 -2.381 1.00 0.00 C ATOM 600 C ALA A 38 -9.867 -7.468 -1.853 1.00 0.00 C ATOM 601 O ALA A 38 -10.326 -6.605 -2.599 1.00 0.00 O ATOM 602 CB ALA A 38 -9.655 -9.770 -2.809 1.00 0.00 C ATOM 0 H ALA A 38 -7.938 -9.819 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.387 -8.103 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.403 -9.504 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.957 -10.490 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.148 -10.212 -1.943 1.00 0.00 H new ATOM 608 N GLU A 39 -10.172 -7.547 -0.561 1.00 0.00 N ATOM 609 CA GLU A 39 -11.088 -6.601 0.065 1.00 0.00 C ATOM 610 C GLU A 39 -10.700 -5.164 -0.271 1.00 0.00 C ATOM 611 O GLU A 39 -11.553 -4.339 -0.598 1.00 0.00 O ATOM 612 CB GLU A 39 -11.098 -6.796 1.583 1.00 0.00 C ATOM 613 CG GLU A 39 -11.844 -8.041 2.032 1.00 0.00 C ATOM 614 CD GLU A 39 -13.325 -7.792 2.239 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.700 -7.315 3.330 1.00 0.00 O ATOM 616 OE2 GLU A 39 -14.109 -8.072 1.308 1.00 0.00 O ATOM 0 H GLU A 39 -9.799 -8.255 0.071 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.088 -6.790 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.070 -6.850 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.552 -5.922 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.712 -8.827 1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.407 -8.406 2.962 1.00 0.00 H new ATOM 623 N LEU A 40 -9.406 -4.872 -0.188 1.00 0.00 N ATOM 624 CA LEU A 40 -8.903 -3.535 -0.483 1.00 0.00 C ATOM 625 C LEU A 40 -9.051 -3.213 -1.967 1.00 0.00 C ATOM 626 O LEU A 40 -9.369 -2.083 -2.338 1.00 0.00 O ATOM 627 CB LEU A 40 -7.436 -3.418 -0.068 1.00 0.00 C ATOM 628 CG LEU A 40 -7.046 -4.130 1.228 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.616 -3.787 1.616 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.007 -3.762 2.348 1.00 0.00 C ATOM 0 H LEU A 40 -8.687 -5.543 0.081 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.494 -2.817 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.818 -3.812 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.191 -2.361 0.034 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.108 -5.206 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.356 -4.303 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.938 -4.101 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.527 -2.711 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.714 -4.278 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.978 -2.685 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.019 -4.059 2.072 1.00 0.00 H new ATOM 642 N ALA A 41 -8.820 -4.214 -2.810 1.00 0.00 N ATOM 643 CA ALA A 41 -8.932 -4.038 -4.253 1.00 0.00 C ATOM 644 C ALA A 41 -10.392 -3.940 -4.683 1.00 0.00 C ATOM 645 O ALA A 41 -10.701 -3.407 -5.748 1.00 0.00 O ATOM 646 CB ALA A 41 -8.242 -5.183 -4.979 1.00 0.00 C ATOM 0 H ALA A 41 -8.554 -5.155 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.439 -3.103 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.333 -5.039 -6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.187 -5.205 -4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.710 -6.126 -4.698 1.00 0.00 H new ATOM 652 N ALA A 42 -11.286 -4.457 -3.847 1.00 0.00 N ATOM 653 CA ALA A 42 -12.714 -4.426 -4.140 1.00 0.00 C ATOM 654 C ALA A 42 -13.368 -3.181 -3.552 1.00 0.00 C ATOM 655 O ALA A 42 -14.252 -2.584 -4.166 1.00 0.00 O ATOM 656 CB ALA A 42 -13.389 -5.681 -3.607 1.00 0.00 C ATOM 0 H ALA A 42 -11.047 -4.902 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.837 -4.392 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.455 -5.645 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.948 -6.559 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.248 -5.739 -2.528 1.00 0.00 H new ATOM 662 N SER A 43 -12.928 -2.794 -2.359 1.00 0.00 N ATOM 663 CA SER A 43 -13.475 -1.621 -1.686 1.00 0.00 C ATOM 664 C SER A 43 -12.816 -0.344 -2.199 1.00 0.00 C ATOM 665 O SER A 43 -13.492 0.567 -2.678 1.00 0.00 O ATOM 666 CB SER A 43 -13.279 -1.738 -0.173 1.00 0.00 C ATOM 667 OG SER A 43 -14.194 -2.662 0.390 1.00 0.00 O ATOM 0 H SER A 43 -12.195 -3.275 -1.838 1.00 0.00 H new ATOM 0 HA SER A 43 -14.542 -1.571 -1.904 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.259 -2.056 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.413 -0.761 0.291 1.00 0.00 H new ATOM 0 HG SER A 43 -14.047 -2.720 1.357 1.00 0.00 H new ATOM 673 N LEU A 44 -11.493 -0.286 -2.094 1.00 0.00 N ATOM 674 CA LEU A 44 -10.741 0.879 -2.547 1.00 0.00 C ATOM 675 C LEU A 44 -10.838 1.035 -4.061 1.00 0.00 C ATOM 676 O LEU A 44 -10.617 2.119 -4.599 1.00 0.00 O ATOM 677 CB LEU A 44 -9.275 0.758 -2.128 1.00 0.00 C ATOM 678 CG LEU A 44 -9.023 0.354 -0.675 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.538 0.421 -0.352 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.817 1.243 0.271 1.00 0.00 C ATOM 0 H LEU A 44 -10.919 -1.031 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.174 1.764 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.792 0.027 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.786 1.716 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.357 -0.675 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.378 0.130 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.992 -0.258 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.178 1.439 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.625 0.941 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.514 2.281 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.881 1.144 0.056 1.00 0.00 H new ATOM 692 N GLY A 45 -11.172 -0.056 -4.743 1.00 0.00 N ATOM 693 CA GLY A 45 -11.295 -0.019 -6.189 1.00 0.00 C ATOM 694 C GLY A 45 -9.980 -0.298 -6.890 1.00 0.00 C ATOM 695 O GLY A 45 -9.819 0.014 -8.071 1.00 0.00 O ATOM 0 H GLY A 45 -11.360 -0.965 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.035 -0.753 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.665 0.960 -6.494 1.00 0.00 H new ATOM 699 N LEU A 46 -9.036 -0.884 -6.162 1.00 0.00 N ATOM 700 CA LEU A 46 -7.727 -1.204 -6.720 1.00 0.00 C ATOM 701 C LEU A 46 -7.644 -2.678 -7.104 1.00 0.00 C ATOM 702 O LEU A 46 -8.584 -3.442 -6.886 1.00 0.00 O ATOM 703 CB LEU A 46 -6.625 -0.863 -5.716 1.00 0.00 C ATOM 704 CG LEU A 46 -6.631 0.566 -5.172 1.00 0.00 C ATOM 705 CD1 LEU A 46 -5.983 0.616 -3.797 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.918 1.505 -6.134 1.00 0.00 C ATOM 0 H LEU A 46 -9.153 -1.147 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.587 -0.605 -7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.703 -1.551 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.660 -1.046 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.666 0.894 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.996 1.641 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.536 -0.026 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.952 0.269 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.932 2.518 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.886 1.179 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.425 1.491 -7.099 1.00 0.00 H new ATOM 718 N THR A 47 -6.510 -3.072 -7.676 1.00 0.00 N ATOM 719 CA THR A 47 -6.303 -4.454 -8.089 1.00 0.00 C ATOM 720 C THR A 47 -5.297 -5.154 -7.182 1.00 0.00 C ATOM 721 O THR A 47 -4.481 -4.504 -6.529 1.00 0.00 O ATOM 722 CB THR A 47 -5.808 -4.537 -9.546 1.00 0.00 C ATOM 723 OG1 THR A 47 -6.000 -5.862 -10.053 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.338 -4.159 -9.640 1.00 0.00 C ATOM 0 H THR A 47 -5.721 -2.453 -7.864 1.00 0.00 H new ATOM 0 HA THR A 47 -7.268 -4.955 -8.012 1.00 0.00 H new ATOM 0 HB THR A 47 -6.386 -3.833 -10.144 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.685 -5.906 -10.980 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.011 -4.225 -10.678 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.201 -3.139 -9.280 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.747 -4.842 -9.029 1.00 0.00 H new ATOM 732 N GLN A 48 -5.361 -6.481 -7.149 1.00 0.00 N ATOM 733 CA GLN A 48 -4.454 -7.268 -6.321 1.00 0.00 C ATOM 734 C GLN A 48 -3.001 -6.907 -6.611 1.00 0.00 C ATOM 735 O GLN A 48 -2.145 -6.974 -5.728 1.00 0.00 O ATOM 736 CB GLN A 48 -4.678 -8.762 -6.561 1.00 0.00 C ATOM 737 CG GLN A 48 -6.053 -9.248 -6.130 1.00 0.00 C ATOM 738 CD GLN A 48 -6.368 -10.639 -6.643 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.946 -11.021 -7.735 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.113 -11.406 -5.856 1.00 0.00 N ATOM 0 H GLN A 48 -6.030 -7.033 -7.685 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.665 -7.039 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.542 -8.976 -7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.917 -9.326 -6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.110 -9.245 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.810 -8.552 -6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.441 -11.049 -4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.357 -12.352 -6.149 1.00 0.00 H new ATOM 749 N THR A 49 -2.728 -6.524 -7.854 1.00 0.00 N ATOM 750 CA THR A 49 -1.378 -6.154 -8.261 1.00 0.00 C ATOM 751 C THR A 49 -0.994 -4.785 -7.711 1.00 0.00 C ATOM 752 O THR A 49 0.186 -4.444 -7.640 1.00 0.00 O ATOM 753 CB THR A 49 -1.239 -6.136 -9.795 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.892 -7.278 -10.360 1.00 0.00 O ATOM 755 CG2 THR A 49 0.226 -6.129 -10.205 1.00 0.00 C ATOM 0 H THR A 49 -3.424 -6.462 -8.597 1.00 0.00 H new ATOM 0 HA THR A 49 -0.706 -6.908 -7.852 1.00 0.00 H new ATOM 0 HB THR A 49 -1.710 -5.227 -10.170 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.800 -7.258 -11.335 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.299 -6.116 -11.292 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.713 -5.243 -9.798 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.716 -7.023 -9.819 1.00 0.00 H new ATOM 763 N GLN A 50 -1.998 -4.005 -7.323 1.00 0.00 N ATOM 764 CA GLN A 50 -1.764 -2.673 -6.779 1.00 0.00 C ATOM 765 C GLN A 50 -1.593 -2.725 -5.265 1.00 0.00 C ATOM 766 O GLN A 50 -0.596 -2.246 -4.725 1.00 0.00 O ATOM 767 CB GLN A 50 -2.920 -1.740 -7.142 1.00 0.00 C ATOM 768 CG GLN A 50 -2.815 -1.157 -8.542 1.00 0.00 C ATOM 769 CD GLN A 50 -3.447 0.217 -8.650 1.00 0.00 C ATOM 770 OE1 GLN A 50 -2.994 1.173 -8.018 1.00 0.00 O ATOM 771 NE2 GLN A 50 -4.498 0.324 -9.454 1.00 0.00 N ATOM 0 H GLN A 50 -2.981 -4.273 -7.375 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.844 -2.286 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.859 -2.287 -7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.958 -0.924 -6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.765 -1.093 -8.827 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.297 -1.831 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.840 -0.494 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.964 1.224 -9.567 1.00 0.00 H new ATOM 780 N VAL A 51 -2.573 -3.311 -4.583 1.00 0.00 N ATOM 781 CA VAL A 51 -2.531 -3.427 -3.131 1.00 0.00 C ATOM 782 C VAL A 51 -1.317 -4.229 -2.678 1.00 0.00 C ATOM 783 O VAL A 51 -0.822 -4.054 -1.565 1.00 0.00 O ATOM 784 CB VAL A 51 -3.807 -4.094 -2.584 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.571 -4.629 -1.180 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.970 -3.114 -2.601 1.00 0.00 C ATOM 0 H VAL A 51 -3.406 -3.713 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.461 -2.414 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.061 -4.935 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.484 -5.097 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.769 -5.367 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.291 -3.808 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.863 -3.602 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.728 -2.251 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.154 -2.785 -3.624 1.00 0.00 H new ATOM 796 N LYS A 52 -0.840 -5.112 -3.549 1.00 0.00 N ATOM 797 CA LYS A 52 0.319 -5.942 -3.242 1.00 0.00 C ATOM 798 C LYS A 52 1.596 -5.109 -3.228 1.00 0.00 C ATOM 799 O LYS A 52 2.313 -5.072 -2.227 1.00 0.00 O ATOM 800 CB LYS A 52 0.446 -7.074 -4.264 1.00 0.00 C ATOM 801 CG LYS A 52 -0.293 -8.339 -3.865 1.00 0.00 C ATOM 802 CD LYS A 52 0.203 -9.544 -4.646 1.00 0.00 C ATOM 803 CE LYS A 52 -0.580 -9.734 -5.937 1.00 0.00 C ATOM 804 NZ LYS A 52 -1.769 -10.609 -5.740 1.00 0.00 N ATOM 0 H LYS A 52 -1.239 -5.271 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 52 0.176 -6.371 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.065 -6.729 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.501 -7.309 -4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.162 -8.517 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.361 -8.207 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.261 -9.419 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.114 -10.439 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.902 -8.763 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.070 -10.170 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.349 -10.605 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.456 -11.580 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.333 -10.254 -4.942 1.00 0.00 H new ATOM 818 N ILE A 53 1.875 -4.442 -4.342 1.00 0.00 N ATOM 819 CA ILE A 53 3.065 -3.608 -4.456 1.00 0.00 C ATOM 820 C ILE A 53 3.069 -2.509 -3.398 1.00 0.00 C ATOM 821 O ILE A 53 4.118 -2.157 -2.859 1.00 0.00 O ATOM 822 CB ILE A 53 3.169 -2.962 -5.850 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.149 -4.039 -6.937 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.433 -2.122 -5.952 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.932 -3.489 -8.329 1.00 0.00 C ATOM 0 H ILE A 53 1.293 -4.463 -5.179 1.00 0.00 H new ATOM 0 HA ILE A 53 3.924 -4.261 -4.302 1.00 0.00 H new ATOM 0 HB ILE A 53 2.309 -2.308 -5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.092 -4.585 -6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.360 -4.757 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.492 -1.672 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.409 -1.336 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.305 -2.755 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.929 -4.308 -9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.975 -2.968 -8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.735 -2.794 -8.575 1.00 0.00 H new ATOM 837 N TRP A 54 1.890 -1.973 -3.105 1.00 0.00 N ATOM 838 CA TRP A 54 1.757 -0.916 -2.110 1.00 0.00 C ATOM 839 C TRP A 54 2.230 -1.393 -0.741 1.00 0.00 C ATOM 840 O TRP A 54 3.024 -0.724 -0.080 1.00 0.00 O ATOM 841 CB TRP A 54 0.304 -0.446 -2.025 1.00 0.00 C ATOM 842 CG TRP A 54 0.120 0.765 -1.161 1.00 0.00 C ATOM 843 CD1 TRP A 54 0.017 2.061 -1.578 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.020 0.791 0.267 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.141 2.892 -0.495 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.143 2.137 0.648 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.051 -0.191 1.260 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.274 2.523 1.980 1.00 0.00 C ATOM 849 CZ3 TRP A 54 -0.078 0.193 2.582 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.240 1.540 2.932 1.00 0.00 C ATOM 0 H TRP A 54 1.012 -2.253 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 54 2.384 -0.080 -2.420 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.058 -0.225 -3.029 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.311 -1.258 -1.636 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.054 2.385 -2.607 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.241 3.906 -0.536 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.174 -1.232 1.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.398 3.561 2.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.053 -0.558 3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.340 1.808 3.973 1.00 0.00 H new ATOM 861 N PHE A 55 1.739 -2.554 -0.322 1.00 0.00 N ATOM 862 CA PHE A 55 2.112 -3.121 0.969 1.00 0.00 C ATOM 863 C PHE A 55 3.587 -3.508 0.987 1.00 0.00 C ATOM 864 O PHE A 55 4.287 -3.276 1.972 1.00 0.00 O ATOM 865 CB PHE A 55 1.248 -4.345 1.281 1.00 0.00 C ATOM 866 CG PHE A 55 -0.021 -4.012 2.012 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.028 -3.294 1.388 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.208 -4.419 3.324 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.197 -2.986 2.059 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.374 -4.114 4.000 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.370 -3.398 3.366 1.00 0.00 C ATOM 0 H PHE A 55 1.082 -3.121 -0.857 1.00 0.00 H new ATOM 0 HA PHE A 55 1.944 -2.362 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.999 -4.851 0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.829 -5.047 1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.898 -2.971 0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.567 -4.981 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.974 -2.424 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.506 -4.435 5.023 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.283 -3.160 3.891 1.00 0.00 H new ATOM 881 N GLN A 56 4.052 -4.098 -0.109 1.00 0.00 N ATOM 882 CA GLN A 56 5.444 -4.519 -0.219 1.00 0.00 C ATOM 883 C GLN A 56 6.382 -3.319 -0.142 1.00 0.00 C ATOM 884 O GLN A 56 7.355 -3.327 0.610 1.00 0.00 O ATOM 885 CB GLN A 56 5.669 -5.275 -1.529 1.00 0.00 C ATOM 886 CG GLN A 56 6.867 -6.209 -1.495 1.00 0.00 C ATOM 887 CD GLN A 56 8.142 -5.508 -1.067 1.00 0.00 C ATOM 888 OE1 GLN A 56 8.716 -4.723 -1.822 1.00 0.00 O ATOM 889 NE2 GLN A 56 8.591 -5.789 0.151 1.00 0.00 N ATOM 0 H GLN A 56 3.485 -4.296 -0.934 1.00 0.00 H new ATOM 0 HA GLN A 56 5.664 -5.183 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.775 -5.853 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.803 -4.555 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.662 -7.032 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.011 -6.645 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.083 -6.446 0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.444 -5.348 0.495 1.00 0.00 H new ATOM 898 N ASN A 57 6.083 -2.289 -0.928 1.00 0.00 N ATOM 899 CA ASN A 57 6.901 -1.082 -0.950 1.00 0.00 C ATOM 900 C ASN A 57 7.004 -0.469 0.444 1.00 0.00 C ATOM 901 O ASN A 57 8.101 -0.231 0.950 1.00 0.00 O ATOM 902 CB ASN A 57 6.314 -0.061 -1.926 1.00 0.00 C ATOM 903 CG ASN A 57 6.479 -0.483 -3.373 1.00 0.00 C ATOM 904 OD1 ASN A 57 6.598 -1.670 -3.675 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.488 0.491 -4.276 1.00 0.00 N ATOM 0 H ASN A 57 5.281 -2.266 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 57 7.902 -1.358 -1.281 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.255 0.077 -1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.799 0.903 -1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.597 0.268 -5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.386 1.462 -3.980 1.00 0.00 H new ATOM 912 N LYS A 58 5.854 -0.217 1.060 1.00 0.00 N ATOM 913 CA LYS A 58 5.813 0.366 2.396 1.00 0.00 C ATOM 914 C LYS A 58 6.773 -0.358 3.335 1.00 0.00 C ATOM 915 O LYS A 58 7.552 0.274 4.048 1.00 0.00 O ATOM 916 CB LYS A 58 4.391 0.305 2.957 1.00 0.00 C ATOM 917 CG LYS A 58 4.067 1.437 3.917 1.00 0.00 C ATOM 918 CD LYS A 58 3.919 2.762 3.187 1.00 0.00 C ATOM 919 CE LYS A 58 2.909 2.664 2.055 1.00 0.00 C ATOM 920 NZ LYS A 58 3.543 2.218 0.783 1.00 0.00 N ATOM 0 H LYS A 58 4.937 -0.408 0.655 1.00 0.00 H new ATOM 0 HA LYS A 58 6.123 1.408 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.682 0.327 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.252 -0.647 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.144 1.210 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.856 1.518 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.605 3.533 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.886 3.069 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.120 1.965 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.437 3.635 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.295 2.881 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.576 2.195 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.201 1.267 0.539 1.00 0.00 H new ATOM 934 N ARG A 59 6.711 -1.686 3.329 1.00 0.00 N ATOM 935 CA ARG A 59 7.575 -2.494 4.180 1.00 0.00 C ATOM 936 C ARG A 59 9.018 -2.002 4.116 1.00 0.00 C ATOM 937 O ARG A 59 9.683 -1.861 5.142 1.00 0.00 O ATOM 938 CB ARG A 59 7.508 -3.964 3.761 1.00 0.00 C ATOM 939 CG ARG A 59 6.440 -4.758 4.495 1.00 0.00 C ATOM 940 CD ARG A 59 6.514 -6.239 4.156 1.00 0.00 C ATOM 941 NE ARG A 59 7.710 -6.868 4.710 1.00 0.00 N ATOM 942 CZ ARG A 59 7.801 -7.295 5.964 1.00 0.00 C ATOM 943 NH1 ARG A 59 6.772 -7.162 6.790 1.00 0.00 N ATOM 944 NH2 ARG A 59 8.923 -7.858 6.395 1.00 0.00 N ATOM 0 H ARG A 59 6.072 -2.224 2.744 1.00 0.00 H new ATOM 0 HA ARG A 59 7.222 -2.398 5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.318 -4.019 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.479 -4.428 3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.560 -4.623 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.455 -4.373 4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.628 -6.744 4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.507 -6.364 3.073 1.00 0.00 H new ATOM 0 HE ARG A 59 8.519 -6.986 4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.908 -6.731 6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.845 -7.491 7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.716 -7.963 5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.992 -8.186 7.359 1.00 0.00 H new