USER MOD reduce.3.24.130724 H: found=0, std=0, add=351, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 352 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.21 K(o=0.21,f=-4.7!) USER MOD Single : A 42 SER OG : rot 152:sc= 0.644 USER MOD Single : A 44 GLN : amide:sc= -3.83! K(o=-3.8!,f=-1) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= 0.713 K(o=0.71,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 137 N PRO A 10 -8.575 5.945 3.436 1.00 0.00 N ATOM 138 CA PRO A 10 -7.427 6.531 4.100 1.00 0.00 C ATOM 139 C PRO A 10 -7.432 6.295 5.608 1.00 0.00 C ATOM 140 O PRO A 10 -8.454 6.462 6.276 1.00 0.00 O ATOM 141 CB PRO A 10 -7.508 8.021 3.778 1.00 0.00 C ATOM 142 CG PRO A 10 -8.836 8.264 3.129 1.00 0.00 C ATOM 143 CD PRO A 10 -9.556 6.948 3.024 1.00 0.00 C ATOM 0 HA PRO A 10 -6.500 6.075 3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.409 8.616 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.696 8.315 3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.422 8.972 3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.701 8.703 2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.436 6.927 3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.901 6.767 2.006 1.00 0.00 H new ATOM 151 N GLY A 11 -6.285 5.906 6.119 1.00 0.00 N ATOM 152 CA GLY A 11 -6.132 5.609 7.520 1.00 0.00 C ATOM 153 C GLY A 11 -6.109 4.119 7.758 1.00 0.00 C ATOM 154 O GLY A 11 -5.959 3.664 8.889 1.00 0.00 O ATOM 0 H GLY A 11 -5.433 5.787 5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.209 6.054 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.951 6.058 8.082 1.00 0.00 H new ATOM 158 N ASP A 12 -6.234 3.370 6.682 1.00 0.00 N ATOM 159 CA ASP A 12 -6.311 1.916 6.743 1.00 0.00 C ATOM 160 C ASP A 12 -4.916 1.291 6.692 1.00 0.00 C ATOM 161 O ASP A 12 -3.956 1.898 6.160 1.00 0.00 O ATOM 162 CB ASP A 12 -7.129 1.413 5.561 1.00 0.00 C ATOM 163 CG ASP A 12 -7.592 -0.029 5.707 1.00 0.00 C ATOM 164 OD1 ASP A 12 -8.119 -0.570 4.725 1.00 0.00 O ATOM 165 OD2 ASP A 12 -7.427 -0.614 6.807 1.00 0.00 O ATOM 0 H ASP A 12 -6.286 3.748 5.736 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.783 1.630 7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.001 2.054 5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.533 1.504 4.653 1.00 0.00 H new ATOM 170 N VAL A 13 -4.816 0.085 7.202 1.00 0.00 N ATOM 171 CA VAL A 13 -3.586 -0.669 7.248 1.00 0.00 C ATOM 172 C VAL A 13 -3.776 -1.892 6.371 1.00 0.00 C ATOM 173 O VAL A 13 -4.474 -2.831 6.728 1.00 0.00 O ATOM 174 CB VAL A 13 -3.206 -1.105 8.696 1.00 0.00 C ATOM 175 CG1 VAL A 13 -1.877 -1.857 8.709 1.00 0.00 C ATOM 176 CG2 VAL A 13 -3.142 0.102 9.624 1.00 0.00 C ATOM 0 H VAL A 13 -5.610 -0.411 7.607 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.769 -0.041 6.893 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.983 -1.778 9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.635 -2.150 9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.957 -2.747 8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.090 -1.211 8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.875 -0.225 10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.391 0.802 9.259 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.114 0.594 9.649 1.00 0.00 H new ATOM 186 N VAL A 14 -3.149 -1.873 5.245 1.00 0.00 N ATOM 187 CA VAL A 14 -3.383 -2.853 4.216 1.00 0.00 C ATOM 188 C VAL A 14 -2.115 -3.576 3.825 1.00 0.00 C ATOM 189 O VAL A 14 -1.017 -3.250 4.292 1.00 0.00 O ATOM 190 CB VAL A 14 -3.965 -2.162 2.956 1.00 0.00 C ATOM 191 CG1 VAL A 14 -5.347 -1.606 3.235 1.00 0.00 C ATOM 192 CG2 VAL A 14 -3.040 -1.034 2.495 1.00 0.00 C ATOM 0 H VAL A 14 -2.449 -1.172 5.001 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.087 -3.582 4.617 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.042 -2.910 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.734 -1.126 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.013 -2.417 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.289 -0.874 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.461 -0.557 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.941 -0.297 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.059 -1.443 2.255 1.00 0.00 H new ATOM 202 N LYS A 15 -2.277 -4.569 2.998 1.00 0.00 N ATOM 203 CA LYS A 15 -1.175 -5.270 2.409 1.00 0.00 C ATOM 204 C LYS A 15 -1.117 -4.949 0.937 1.00 0.00 C ATOM 205 O LYS A 15 -2.125 -5.074 0.221 1.00 0.00 O ATOM 206 CB LYS A 15 -1.288 -6.777 2.638 1.00 0.00 C ATOM 207 CG LYS A 15 -2.686 -7.330 2.455 1.00 0.00 C ATOM 208 CD LYS A 15 -2.714 -8.824 2.628 1.00 0.00 C ATOM 209 CE LYS A 15 -4.106 -9.385 2.397 1.00 0.00 C ATOM 210 NZ LYS A 15 -4.175 -10.841 2.671 1.00 0.00 N ATOM 0 H LYS A 15 -3.191 -4.918 2.711 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.251 -4.944 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.614 -7.289 1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.948 -7.006 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.359 -6.866 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.054 -7.070 1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.014 -9.285 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.379 -9.081 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.817 -8.862 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.406 -9.196 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.143 -11.181 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.516 -11.344 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.915 -11.021 3.662 1.00 0.00 H new ATOM 224 N VAL A 16 0.023 -4.515 0.495 1.00 0.00 N ATOM 225 CA VAL A 16 0.218 -4.155 -0.875 1.00 0.00 C ATOM 226 C VAL A 16 1.329 -4.979 -1.453 1.00 0.00 C ATOM 227 O VAL A 16 2.282 -5.322 -0.762 1.00 0.00 O ATOM 228 CB VAL A 16 0.595 -2.646 -1.046 1.00 0.00 C ATOM 229 CG1 VAL A 16 -0.455 -1.748 -0.464 1.00 0.00 C ATOM 230 CG2 VAL A 16 1.958 -2.317 -0.445 1.00 0.00 C ATOM 0 H VAL A 16 0.851 -4.400 1.080 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.725 -4.337 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 16 0.653 -2.466 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.160 -0.708 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.405 -1.925 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.564 -1.958 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.173 -1.258 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.950 -2.543 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.726 -2.914 -0.937 1.00 0.00 H new ATOM 240 N LEU A 17 1.213 -5.328 -2.675 1.00 0.00 N ATOM 241 CA LEU A 17 2.298 -5.948 -3.326 1.00 0.00 C ATOM 242 C LEU A 17 3.007 -4.859 -4.120 1.00 0.00 C ATOM 243 O LEU A 17 2.646 -4.528 -5.254 1.00 0.00 O ATOM 244 CB LEU A 17 1.859 -7.222 -4.115 1.00 0.00 C ATOM 245 CG LEU A 17 2.937 -8.073 -4.849 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.356 -9.427 -5.214 1.00 0.00 C ATOM 247 CD2 LEU A 17 3.440 -7.402 -6.124 1.00 0.00 C ATOM 0 H LEU A 17 0.378 -5.195 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 17 3.022 -6.368 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.343 -7.879 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.126 -6.910 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 17 3.779 -8.179 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.112 -10.021 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.042 -9.945 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.496 -9.289 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.190 -8.036 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.606 -7.252 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.884 -6.438 -5.877 1.00 0.00 H new ATOM 259 N GLU A 18 3.914 -4.210 -3.418 1.00 0.00 N ATOM 260 CA GLU A 18 4.693 -3.077 -3.916 1.00 0.00 C ATOM 261 C GLU A 18 5.700 -3.524 -4.961 1.00 0.00 C ATOM 262 O GLU A 18 5.895 -2.879 -5.985 1.00 0.00 O ATOM 263 CB GLU A 18 5.393 -2.389 -2.712 1.00 0.00 C ATOM 264 CG GLU A 18 6.467 -1.356 -3.057 1.00 0.00 C ATOM 265 CD GLU A 18 6.973 -0.598 -1.836 1.00 0.00 C ATOM 266 OE1 GLU A 18 6.372 0.402 -1.460 1.00 0.00 O ATOM 267 OE2 GLU A 18 7.990 -0.999 -1.234 1.00 0.00 O ATOM 0 H GLU A 18 4.142 -4.458 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 18 4.030 -2.362 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.630 -1.901 -2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.847 -3.162 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.305 -1.858 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.063 -0.645 -3.778 1.00 0.00 H new ATOM 274 N SER A 19 6.331 -4.618 -4.706 1.00 0.00 N ATOM 275 CA SER A 19 7.316 -5.129 -5.595 1.00 0.00 C ATOM 276 C SER A 19 7.260 -6.640 -5.603 1.00 0.00 C ATOM 277 O SER A 19 7.026 -7.255 -4.568 1.00 0.00 O ATOM 278 CB SER A 19 8.696 -4.607 -5.181 1.00 0.00 C ATOM 279 OG SER A 19 8.774 -3.206 -5.342 1.00 0.00 O ATOM 0 H SER A 19 6.178 -5.185 -3.872 1.00 0.00 H new ATOM 0 HA SER A 19 7.121 -4.787 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.891 -4.869 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.467 -5.090 -5.782 1.00 0.00 H new ATOM 0 HG SER A 19 9.663 -2.894 -5.070 1.00 0.00 H new ATOM 285 N ALA A 20 7.464 -7.232 -6.771 1.00 0.00 N ATOM 286 CA ALA A 20 7.389 -8.686 -6.950 1.00 0.00 C ATOM 287 C ALA A 20 8.475 -9.421 -6.163 1.00 0.00 C ATOM 288 O ALA A 20 8.322 -10.574 -5.829 1.00 0.00 O ATOM 289 CB ALA A 20 7.471 -9.037 -8.427 1.00 0.00 C ATOM 0 H ALA A 20 7.687 -6.722 -7.626 1.00 0.00 H new ATOM 0 HA ALA A 20 6.428 -9.016 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.414 -10.119 -8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.643 -8.569 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.415 -8.675 -8.835 1.00 0.00 H new ATOM 295 N ALA A 21 9.552 -8.721 -5.854 1.00 0.00 N ATOM 296 CA ALA A 21 10.660 -9.304 -5.103 1.00 0.00 C ATOM 297 C ALA A 21 10.436 -9.159 -3.595 1.00 0.00 C ATOM 298 O ALA A 21 11.289 -9.512 -2.798 1.00 0.00 O ATOM 299 CB ALA A 21 11.972 -8.647 -5.512 1.00 0.00 C ATOM 0 H ALA A 21 9.687 -7.743 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 21 10.710 -10.368 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.792 -9.089 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.141 -8.803 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.923 -7.578 -5.306 1.00 0.00 H new ATOM 305 N LEU A 22 9.288 -8.625 -3.229 1.00 0.00 N ATOM 306 CA LEU A 22 8.935 -8.440 -1.832 1.00 0.00 C ATOM 307 C LEU A 22 7.626 -9.146 -1.548 1.00 0.00 C ATOM 308 O LEU A 22 7.482 -9.838 -0.552 1.00 0.00 O ATOM 309 CB LEU A 22 8.796 -6.944 -1.487 1.00 0.00 C ATOM 310 CG LEU A 22 10.049 -6.069 -1.642 1.00 0.00 C ATOM 311 CD1 LEU A 22 9.727 -4.622 -1.298 1.00 0.00 C ATOM 312 CD2 LEU A 22 11.182 -6.582 -0.760 1.00 0.00 C ATOM 0 H LEU A 22 8.575 -8.308 -3.886 1.00 0.00 H new ATOM 0 HA LEU A 22 9.730 -8.861 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.011 -6.524 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.455 -6.866 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 22 10.375 -6.120 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.624 -4.013 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.950 -4.253 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.376 -4.562 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.058 -5.946 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.868 -6.563 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.431 -7.604 -1.045 1.00 0.00 H new ATOM 324 N GLY A 23 6.676 -8.967 -2.442 1.00 0.00 N ATOM 325 CA GLY A 23 5.395 -9.562 -2.268 1.00 0.00 C ATOM 326 C GLY A 23 4.478 -8.616 -1.562 1.00 0.00 C ATOM 327 O GLY A 23 4.629 -7.388 -1.675 1.00 0.00 O ATOM 0 H GLY A 23 6.780 -8.412 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.976 -9.831 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.489 -10.484 -1.695 1.00 0.00 H new ATOM 331 N TRP A 24 3.528 -9.171 -0.886 1.00 0.00 N ATOM 332 CA TRP A 24 2.591 -8.434 -0.090 1.00 0.00 C ATOM 333 C TRP A 24 3.245 -7.940 1.192 1.00 0.00 C ATOM 334 O TRP A 24 3.539 -8.717 2.096 1.00 0.00 O ATOM 335 CB TRP A 24 1.381 -9.305 0.232 1.00 0.00 C ATOM 336 CG TRP A 24 0.621 -9.731 -0.983 1.00 0.00 C ATOM 337 CD1 TRP A 24 0.779 -10.880 -1.705 1.00 0.00 C ATOM 338 CD2 TRP A 24 -0.401 -8.991 -1.627 1.00 0.00 C ATOM 339 NE1 TRP A 24 -0.114 -10.901 -2.750 1.00 0.00 N ATOM 340 CE2 TRP A 24 -0.847 -9.745 -2.728 1.00 0.00 C ATOM 341 CE3 TRP A 24 -0.984 -7.764 -1.375 1.00 0.00 C ATOM 342 CZ2 TRP A 24 -1.861 -9.298 -3.573 1.00 0.00 C ATOM 343 CZ3 TRP A 24 -1.974 -7.324 -2.209 1.00 0.00 C ATOM 344 CH2 TRP A 24 -2.406 -8.086 -3.297 1.00 0.00 C ATOM 0 H TRP A 24 3.374 -10.179 -0.869 1.00 0.00 H new ATOM 0 HA TRP A 24 2.260 -7.565 -0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.713 -10.191 0.774 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.713 -8.757 0.896 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.498 -11.656 -1.487 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.214 -11.654 -3.430 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -0.664 -7.164 -0.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.198 -9.890 -4.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.433 -6.364 -2.022 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.191 -7.702 -3.932 1.00 0.00 H new ATOM 355 N VAL A 25 3.480 -6.668 1.237 1.00 0.00 N ATOM 356 CA VAL A 25 4.077 -6.012 2.367 1.00 0.00 C ATOM 357 C VAL A 25 3.037 -5.114 3.017 1.00 0.00 C ATOM 358 O VAL A 25 1.953 -4.917 2.461 1.00 0.00 O ATOM 359 CB VAL A 25 5.328 -5.178 1.957 1.00 0.00 C ATOM 360 CG1 VAL A 25 6.445 -6.089 1.465 1.00 0.00 C ATOM 361 CG2 VAL A 25 4.973 -4.159 0.876 1.00 0.00 C ATOM 0 H VAL A 25 3.257 -6.035 0.469 1.00 0.00 H new ATOM 0 HA VAL A 25 4.414 -6.771 3.073 1.00 0.00 H new ATOM 0 HB VAL A 25 5.675 -4.642 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.309 -5.486 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.728 -6.780 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.099 -6.654 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.862 -3.589 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.595 -4.679 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.208 -3.480 1.253 1.00 0.00 H new ATOM 371 N ARG A 26 3.353 -4.568 4.160 1.00 0.00 N ATOM 372 CA ARG A 26 2.411 -3.733 4.873 1.00 0.00 C ATOM 373 C ARG A 26 2.441 -2.321 4.308 1.00 0.00 C ATOM 374 O ARG A 26 3.512 -1.814 3.933 1.00 0.00 O ATOM 375 CB ARG A 26 2.742 -3.698 6.367 1.00 0.00 C ATOM 376 CG ARG A 26 1.732 -2.915 7.209 1.00 0.00 C ATOM 377 CD ARG A 26 2.224 -2.721 8.636 1.00 0.00 C ATOM 378 NE ARG A 26 2.457 -3.999 9.341 1.00 0.00 N ATOM 379 CZ ARG A 26 3.592 -4.308 10.003 1.00 0.00 C ATOM 380 NH1 ARG A 26 4.667 -3.523 9.908 1.00 0.00 N ATOM 381 NH2 ARG A 26 3.659 -5.438 10.721 1.00 0.00 N ATOM 0 H ARG A 26 4.255 -4.683 4.622 1.00 0.00 H new ATOM 0 HA ARG A 26 1.413 -4.154 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.796 -4.720 6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.730 -3.257 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.551 -1.943 6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.779 -3.444 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.150 -2.146 8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.492 -2.134 9.191 1.00 0.00 H new ATOM 0 HE ARG A 26 1.710 -4.694 9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.635 -2.682 9.332 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.521 -3.764 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.853 -6.062 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.516 -5.674 11.222 1.00 0.00 H new ATOM 395 N ALA A 27 1.285 -1.723 4.210 1.00 0.00 N ATOM 396 CA ALA A 27 1.149 -0.373 3.772 1.00 0.00 C ATOM 397 C ALA A 27 0.008 0.281 4.485 1.00 0.00 C ATOM 398 O ALA A 27 -0.771 -0.370 5.180 1.00 0.00 O ATOM 399 CB ALA A 27 0.935 -0.298 2.287 1.00 0.00 C ATOM 0 H ALA A 27 0.399 -2.174 4.438 1.00 0.00 H new ATOM 0 HA ALA A 27 2.075 0.153 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.835 0.745 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.787 -0.744 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.027 -0.840 2.022 1.00 0.00 H new ATOM 405 N ARG A 28 -0.089 1.546 4.313 1.00 0.00 N ATOM 406 CA ARG A 28 -1.110 2.332 4.917 1.00 0.00 C ATOM 407 C ARG A 28 -1.706 3.201 3.844 1.00 0.00 C ATOM 408 O ARG A 28 -0.980 3.821 3.072 1.00 0.00 O ATOM 409 CB ARG A 28 -0.481 3.160 6.064 1.00 0.00 C ATOM 410 CG ARG A 28 0.570 4.174 5.600 1.00 0.00 C ATOM 411 CD ARG A 28 1.634 4.438 6.646 1.00 0.00 C ATOM 412 NE ARG A 28 2.479 3.246 6.876 1.00 0.00 N ATOM 413 CZ ARG A 28 3.766 3.268 7.263 1.00 0.00 C ATOM 414 NH1 ARG A 28 4.444 4.419 7.279 1.00 0.00 N ATOM 415 NH2 ARG A 28 4.400 2.136 7.526 1.00 0.00 N ATOM 0 H ARG A 28 0.555 2.083 3.733 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.903 1.721 5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.274 3.690 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.022 2.479 6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.045 3.807 4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.076 5.112 5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.259 5.272 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.160 4.735 7.582 1.00 0.00 H new ATOM 0 HE ARG A 28 2.050 2.332 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.985 5.285 6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.421 4.432 7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.912 1.245 7.435 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.377 2.155 7.820 1.00 0.00 H new ATOM 429 N VAL A 29 -2.994 3.195 3.733 1.00 0.00 N ATOM 430 CA VAL A 29 -3.653 4.034 2.759 1.00 0.00 C ATOM 431 C VAL A 29 -3.661 5.401 3.328 1.00 0.00 C ATOM 432 O VAL A 29 -4.282 5.640 4.351 1.00 0.00 O ATOM 433 CB VAL A 29 -5.096 3.574 2.476 1.00 0.00 C ATOM 434 CG1 VAL A 29 -5.710 4.392 1.338 1.00 0.00 C ATOM 435 CG2 VAL A 29 -5.156 2.084 2.157 1.00 0.00 C ATOM 0 H VAL A 29 -3.620 2.622 4.300 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.124 3.986 1.807 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.679 3.743 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.729 4.052 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.724 5.446 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.115 4.262 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.189 1.795 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.549 1.876 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.773 1.515 3.004 1.00 0.00 H new ATOM 445 N ILE A 30 -2.936 6.285 2.716 1.00 0.00 N ATOM 446 CA ILE A 30 -2.828 7.589 3.260 1.00 0.00 C ATOM 447 C ILE A 30 -3.920 8.411 2.807 1.00 0.00 C ATOM 448 O ILE A 30 -4.583 9.060 3.620 1.00 0.00 O ATOM 449 CB ILE A 30 -1.467 8.287 2.986 1.00 0.00 C ATOM 450 CG1 ILE A 30 -0.319 7.459 3.566 1.00 0.00 C ATOM 451 CG2 ILE A 30 -1.447 9.703 3.598 1.00 0.00 C ATOM 452 CD1 ILE A 30 1.029 8.143 3.487 1.00 0.00 C ATOM 0 H ILE A 30 -2.419 6.125 1.851 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.879 7.466 4.342 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.340 8.369 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.539 7.230 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.265 6.508 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.485 10.174 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.244 10.301 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.597 9.636 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.792 7.494 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.273 8.347 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.994 9.080 4.042 1.00 0.00 H new ATOM 464 N ARG A 31 -4.184 8.382 1.542 1.00 0.00 N ATOM 465 CA ARG A 31 -5.057 9.274 1.087 1.00 0.00 C ATOM 466 C ARG A 31 -5.651 8.935 -0.220 1.00 0.00 C ATOM 467 O ARG A 31 -5.091 8.188 -1.041 1.00 0.00 O ATOM 468 CB ARG A 31 -4.319 10.537 1.034 1.00 0.00 C ATOM 469 CG ARG A 31 -3.617 10.899 -0.269 1.00 0.00 C ATOM 470 CD ARG A 31 -2.760 12.151 -0.117 1.00 0.00 C ATOM 471 NE ARG A 31 -1.452 11.895 0.555 1.00 0.00 N ATOM 472 CZ ARG A 31 -0.871 12.690 1.485 1.00 0.00 C ATOM 473 NH1 ARG A 31 -1.525 13.754 1.977 1.00 0.00 N ATOM 474 NH2 ARG A 31 0.354 12.406 1.924 1.00 0.00 N ATOM 0 H ARG A 31 -3.787 7.740 0.856 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.922 9.318 1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.015 11.341 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.569 10.519 1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.991 10.066 -0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.360 11.059 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.576 12.579 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.315 12.895 0.455 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.952 11.046 0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.467 13.969 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.080 14.347 2.677 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.850 11.593 1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.796 13.002 2.624 1.00 0.00 H new ATOM 575 N VAL A 38 -5.204 6.592 -5.650 1.00 0.00 N ATOM 576 CA VAL A 38 -5.378 5.931 -4.383 1.00 0.00 C ATOM 577 C VAL A 38 -3.993 5.688 -3.928 1.00 0.00 C ATOM 578 O VAL A 38 -3.281 4.873 -4.506 1.00 0.00 O ATOM 579 CB VAL A 38 -6.060 4.577 -4.480 1.00 0.00 C ATOM 580 CG1 VAL A 38 -6.568 4.123 -3.111 1.00 0.00 C ATOM 581 CG2 VAL A 38 -7.134 4.527 -5.548 1.00 0.00 C ATOM 0 HA VAL A 38 -6.002 6.542 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.305 3.861 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.052 3.151 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.729 4.044 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.285 4.850 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.583 3.534 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.902 5.268 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.691 4.743 -6.520 1.00 0.00 H new ATOM 591 N VAL A 39 -3.581 6.420 -2.987 1.00 0.00 N ATOM 592 CA VAL A 39 -2.221 6.416 -2.618 1.00 0.00 C ATOM 593 C VAL A 39 -1.996 5.868 -1.225 1.00 0.00 C ATOM 594 O VAL A 39 -2.651 6.275 -0.242 1.00 0.00 O ATOM 595 CB VAL A 39 -1.638 7.821 -2.807 1.00 0.00 C ATOM 596 CG1 VAL A 39 -0.209 7.844 -2.454 1.00 0.00 C ATOM 597 CG2 VAL A 39 -1.794 8.257 -4.248 1.00 0.00 C ATOM 0 H VAL A 39 -4.173 7.046 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.685 5.731 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.180 8.503 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.185 8.851 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.087 7.550 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.335 7.149 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.377 9.256 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.266 7.560 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.851 8.270 -4.512 1.00 0.00 H new ATOM 607 N VAL A 40 -1.068 4.955 -1.160 1.00 0.00 N ATOM 608 CA VAL A 40 -0.724 4.250 0.029 1.00 0.00 C ATOM 609 C VAL A 40 0.753 4.433 0.255 1.00 0.00 C ATOM 610 O VAL A 40 1.482 4.782 -0.669 1.00 0.00 O ATOM 611 CB VAL A 40 -1.018 2.710 -0.110 1.00 0.00 C ATOM 612 CG1 VAL A 40 -2.484 2.450 -0.412 1.00 0.00 C ATOM 613 CG2 VAL A 40 -0.152 2.080 -1.203 1.00 0.00 C ATOM 0 H VAL A 40 -0.513 4.675 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.317 4.638 0.857 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.772 2.251 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.652 1.377 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.098 2.847 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.755 2.939 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.376 1.016 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.363 2.562 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.901 2.212 -0.954 1.00 0.00 H new ATOM 623 N GLN A 41 1.172 4.226 1.445 1.00 0.00 N ATOM 624 CA GLN A 41 2.554 4.272 1.773 1.00 0.00 C ATOM 625 C GLN A 41 2.913 2.981 2.420 1.00 0.00 C ATOM 626 O GLN A 41 2.351 2.628 3.461 1.00 0.00 O ATOM 627 CB GLN A 41 2.857 5.431 2.701 1.00 0.00 C ATOM 628 CG GLN A 41 4.313 5.569 3.128 1.00 0.00 C ATOM 629 CD GLN A 41 4.497 6.679 4.135 1.00 0.00 C ATOM 630 OE1 GLN A 41 4.397 6.461 5.347 1.00 0.00 O ATOM 631 NE2 GLN A 41 4.758 7.865 3.661 1.00 0.00 N ATOM 0 H GLN A 41 0.560 4.016 2.234 1.00 0.00 H new ATOM 0 HA GLN A 41 3.143 4.422 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.552 6.355 2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.243 5.327 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.657 4.628 3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.932 5.766 2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.833 8.006 2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.887 8.652 4.297 1.00 0.00 H new ATOM 640 N SER A 42 3.771 2.253 1.791 1.00 0.00 N ATOM 641 CA SER A 42 4.245 1.012 2.327 1.00 0.00 C ATOM 642 C SER A 42 5.146 1.271 3.516 1.00 0.00 C ATOM 643 O SER A 42 5.634 2.397 3.708 1.00 0.00 O ATOM 644 CB SER A 42 5.008 0.257 1.261 1.00 0.00 C ATOM 645 OG SER A 42 4.227 0.042 0.126 1.00 0.00 O ATOM 0 H SER A 42 4.169 2.499 0.885 1.00 0.00 H new ATOM 0 HA SER A 42 3.393 0.415 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.902 0.817 0.987 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.341 -0.701 1.661 1.00 0.00 H new ATOM 0 HG SER A 42 4.806 -0.024 -0.662 1.00 0.00 H new ATOM 651 N ASP A 43 5.384 0.242 4.300 1.00 0.00 N ATOM 652 CA ASP A 43 6.286 0.323 5.448 1.00 0.00 C ATOM 653 C ASP A 43 7.716 0.636 5.028 1.00 0.00 C ATOM 654 O ASP A 43 8.534 1.041 5.840 1.00 0.00 O ATOM 655 CB ASP A 43 6.214 -0.937 6.330 1.00 0.00 C ATOM 656 CG ASP A 43 5.023 -0.939 7.280 1.00 0.00 C ATOM 657 OD1 ASP A 43 3.944 -0.401 6.926 1.00 0.00 O ATOM 658 OD2 ASP A 43 5.145 -1.474 8.396 1.00 0.00 O ATOM 0 H ASP A 43 4.962 -0.677 4.167 1.00 0.00 H new ATOM 0 HA ASP A 43 5.942 1.158 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.161 -1.818 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.133 -1.019 6.910 1.00 0.00 H new ATOM 663 N GLN A 44 7.995 0.478 3.736 1.00 0.00 N ATOM 664 CA GLN A 44 9.290 0.825 3.180 1.00 0.00 C ATOM 665 C GLN A 44 9.353 2.334 2.846 1.00 0.00 C ATOM 666 O GLN A 44 10.334 2.814 2.282 1.00 0.00 O ATOM 667 CB GLN A 44 9.656 -0.040 1.946 1.00 0.00 C ATOM 668 CG GLN A 44 9.736 -1.549 2.228 1.00 0.00 C ATOM 669 CD GLN A 44 8.378 -2.237 2.279 1.00 0.00 C ATOM 670 OE1 GLN A 44 8.173 -3.158 3.051 1.00 0.00 O ATOM 671 NE2 GLN A 44 7.499 -1.896 1.370 1.00 0.00 N ATOM 0 H GLN A 44 7.332 0.109 3.054 1.00 0.00 H new ATOM 0 HA GLN A 44 10.037 0.608 3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.916 0.132 1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.616 0.295 1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.344 -2.022 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.248 -1.705 3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.695 -1.121 0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.618 -2.405 1.296 1.00 0.00 H new ATOM 680 N GLY A 45 8.272 3.051 3.158 1.00 0.00 N ATOM 681 CA GLY A 45 8.247 4.503 3.058 1.00 0.00 C ATOM 682 C GLY A 45 7.858 5.064 1.702 1.00 0.00 C ATOM 683 O GLY A 45 7.983 6.264 1.474 1.00 0.00 O ATOM 0 H GLY A 45 7.397 2.641 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.551 4.888 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.235 4.884 3.318 1.00 0.00 H new ATOM 687 N ARG A 46 7.380 4.239 0.804 1.00 0.00 N ATOM 688 CA ARG A 46 6.998 4.710 -0.474 1.00 0.00 C ATOM 689 C ARG A 46 5.529 5.091 -0.477 1.00 0.00 C ATOM 690 O ARG A 46 4.690 4.236 -0.239 1.00 0.00 O ATOM 691 CB ARG A 46 7.230 3.639 -1.543 1.00 0.00 C ATOM 692 CG ARG A 46 8.680 3.262 -1.842 1.00 0.00 C ATOM 693 CD ARG A 46 9.235 2.244 -0.857 1.00 0.00 C ATOM 694 NE ARG A 46 10.670 1.988 -1.087 1.00 0.00 N ATOM 695 CZ ARG A 46 11.220 0.789 -1.376 1.00 0.00 C ATOM 696 NH1 ARG A 46 10.465 -0.300 -1.515 1.00 0.00 N ATOM 697 NH2 ARG A 46 12.544 0.690 -1.523 1.00 0.00 N ATOM 0 H ARG A 46 7.252 3.238 0.949 1.00 0.00 H new ATOM 0 HA ARG A 46 7.609 5.584 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.701 2.736 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.770 3.981 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.745 2.858 -2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.297 4.160 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.088 2.605 0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.680 1.310 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 46 11.302 2.786 -1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.453 -0.237 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.899 -1.197 -1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.132 1.517 -1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.967 -0.212 -1.741 1.00 0.00 H new ATOM 711 N GLU A 47 5.222 6.369 -0.688 1.00 0.00 N ATOM 712 CA GLU A 47 3.838 6.779 -0.872 1.00 0.00 C ATOM 713 C GLU A 47 3.590 6.789 -2.380 1.00 0.00 C ATOM 714 O GLU A 47 4.118 7.641 -3.098 1.00 0.00 O ATOM 715 CB GLU A 47 3.521 8.187 -0.282 1.00 0.00 C ATOM 716 CG GLU A 47 2.013 8.453 -0.279 1.00 0.00 C ATOM 717 CD GLU A 47 1.540 9.879 0.027 1.00 0.00 C ATOM 718 OE1 GLU A 47 0.793 10.487 -0.834 1.00 0.00 O ATOM 719 OE2 GLU A 47 1.825 10.404 1.101 1.00 0.00 O ATOM 0 H GLU A 47 5.904 7.126 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 47 3.190 6.084 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.908 8.255 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.028 8.954 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.621 8.173 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.556 7.785 0.451 1.00 0.00 H new ATOM 726 N PHE A 48 2.834 5.843 -2.853 1.00 0.00 N ATOM 727 CA PHE A 48 2.616 5.670 -4.279 1.00 0.00 C ATOM 728 C PHE A 48 1.176 5.325 -4.558 1.00 0.00 C ATOM 729 O PHE A 48 0.423 4.972 -3.645 1.00 0.00 O ATOM 730 CB PHE A 48 3.546 4.573 -4.854 1.00 0.00 C ATOM 731 CG PHE A 48 3.367 3.212 -4.218 1.00 0.00 C ATOM 732 CD1 PHE A 48 3.923 2.948 -2.992 1.00 0.00 C ATOM 733 CD2 PHE A 48 2.644 2.207 -4.846 1.00 0.00 C ATOM 734 CE1 PHE A 48 3.771 1.736 -2.393 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.489 0.971 -4.244 1.00 0.00 C ATOM 736 CZ PHE A 48 3.059 0.741 -3.008 1.00 0.00 C ATOM 0 H PHE A 48 2.346 5.163 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 48 2.853 6.614 -4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.368 4.487 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.582 4.887 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.493 3.718 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.199 2.392 -5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.215 1.557 -1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.926 0.192 -4.737 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.944 -0.220 -2.528 1.00 0.00 H new ATOM 746 N THR A 49 0.791 5.422 -5.804 1.00 0.00 N ATOM 747 CA THR A 49 -0.547 5.117 -6.184 1.00 0.00 C ATOM 748 C THR A 49 -0.683 3.615 -6.347 1.00 0.00 C ATOM 749 O THR A 49 0.197 2.949 -6.899 1.00 0.00 O ATOM 750 CB THR A 49 -0.986 5.884 -7.476 1.00 0.00 C ATOM 751 OG1 THR A 49 -2.389 5.673 -7.766 1.00 0.00 O ATOM 752 CG2 THR A 49 -0.146 5.493 -8.695 1.00 0.00 C ATOM 0 H THR A 49 1.397 5.713 -6.572 1.00 0.00 H new ATOM 0 HA THR A 49 -1.220 5.455 -5.396 1.00 0.00 H new ATOM 0 HB THR A 49 -0.820 6.942 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.633 6.166 -8.577 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.488 6.051 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.902 5.724 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.253 4.425 -8.883 1.00 0.00 H new ATOM 760 N ALA A 50 -1.745 3.098 -5.851 1.00 0.00 N ATOM 761 CA ALA A 50 -1.981 1.707 -5.875 1.00 0.00 C ATOM 762 C ALA A 50 -3.356 1.440 -6.435 1.00 0.00 C ATOM 763 O ALA A 50 -4.056 2.366 -6.859 1.00 0.00 O ATOM 764 CB ALA A 50 -1.847 1.158 -4.473 1.00 0.00 C ATOM 0 H ALA A 50 -2.487 3.641 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.251 1.211 -6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.028 0.083 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.841 1.353 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.575 1.642 -3.822 1.00 0.00 H new ATOM 770 N ARG A 51 -3.734 0.191 -6.443 1.00 0.00 N ATOM 771 CA ARG A 51 -4.995 -0.270 -6.980 1.00 0.00 C ATOM 772 C ARG A 51 -5.430 -1.431 -6.132 1.00 0.00 C ATOM 773 O ARG A 51 -4.572 -2.112 -5.599 1.00 0.00 O ATOM 774 CB ARG A 51 -4.783 -0.786 -8.411 1.00 0.00 C ATOM 775 CG ARG A 51 -4.402 0.263 -9.443 1.00 0.00 C ATOM 776 CD ARG A 51 -4.094 -0.394 -10.776 1.00 0.00 C ATOM 777 NE ARG A 51 -2.948 -1.323 -10.673 1.00 0.00 N ATOM 778 CZ ARG A 51 -2.823 -2.487 -11.333 1.00 0.00 C ATOM 779 NH1 ARG A 51 -3.842 -2.979 -12.052 1.00 0.00 N ATOM 780 NH2 ARG A 51 -1.687 -3.178 -11.227 1.00 0.00 N ATOM 0 H ARG A 51 -3.158 -0.561 -6.065 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.729 0.535 -6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.004 -1.548 -8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.699 -1.276 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.216 0.978 -9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.534 0.824 -9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.972 -0.936 -11.127 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.876 0.373 -11.519 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.187 -1.058 -10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.724 -2.469 -12.102 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.735 -3.863 -12.549 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.925 -2.822 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.580 -4.063 -11.723 1.00 0.00 H new ATOM 794 N GLY A 52 -6.727 -1.709 -6.060 1.00 0.00 N ATOM 795 CA GLY A 52 -7.236 -2.860 -5.271 1.00 0.00 C ATOM 796 C GLY A 52 -6.833 -4.215 -5.853 1.00 0.00 C ATOM 797 O GLY A 52 -7.211 -5.268 -5.353 1.00 0.00 O ATOM 0 H GLY A 52 -7.452 -1.167 -6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.863 -2.785 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.323 -2.803 -5.218 1.00 0.00 H new ATOM 801 N ASN A 53 -6.064 -4.172 -6.916 1.00 0.00 N ATOM 802 CA ASN A 53 -5.530 -5.364 -7.548 1.00 0.00 C ATOM 803 C ASN A 53 -4.162 -5.647 -6.964 1.00 0.00 C ATOM 804 O ASN A 53 -3.651 -6.743 -7.041 1.00 0.00 O ATOM 805 CB ASN A 53 -5.370 -5.151 -9.059 1.00 0.00 C ATOM 806 CG ASN A 53 -6.645 -4.751 -9.767 1.00 0.00 C ATOM 807 OD1 ASN A 53 -6.603 -4.016 -10.753 1.00 0.00 O ATOM 808 ND2 ASN A 53 -7.775 -5.207 -9.277 1.00 0.00 N ATOM 0 H ASN A 53 -5.787 -3.303 -7.373 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.216 -6.193 -7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.617 -4.381 -9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.992 -6.071 -9.506 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.660 -4.954 -9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.767 -5.814 -8.458 1.00 0.00 H new ATOM 815 N GLN A 54 -3.592 -4.618 -6.384 1.00 0.00 N ATOM 816 CA GLN A 54 -2.260 -4.658 -5.808 1.00 0.00 C ATOM 817 C GLN A 54 -2.331 -4.513 -4.327 1.00 0.00 C ATOM 818 O GLN A 54 -1.314 -4.572 -3.644 1.00 0.00 O ATOM 819 CB GLN A 54 -1.433 -3.504 -6.337 1.00 0.00 C ATOM 820 CG GLN A 54 -0.753 -3.734 -7.655 1.00 0.00 C ATOM 821 CD GLN A 54 -0.075 -2.476 -8.124 1.00 0.00 C ATOM 822 OE1 GLN A 54 -0.655 -1.695 -8.893 1.00 0.00 O ATOM 823 NE2 GLN A 54 1.097 -2.220 -7.602 1.00 0.00 N ATOM 0 H GLN A 54 -4.046 -3.709 -6.295 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.808 -5.613 -6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.080 -2.632 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.673 -3.258 -5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.020 -4.535 -7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.483 -4.059 -8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.534 -2.895 -6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.574 -1.346 -7.823 1.00 0.00 H new ATOM 832 N VAL A 55 -3.514 -4.296 -3.831 1.00 0.00 N ATOM 833 CA VAL A 55 -3.702 -4.033 -2.436 1.00 0.00 C ATOM 834 C VAL A 55 -4.875 -4.742 -2.019 1.00 0.00 C ATOM 835 O VAL A 55 -5.844 -4.823 -2.755 1.00 0.00 O ATOM 836 CB VAL A 55 -3.952 -2.545 -2.105 1.00 0.00 C ATOM 837 CG1 VAL A 55 -3.895 -2.267 -0.619 1.00 0.00 C ATOM 838 CG2 VAL A 55 -3.088 -1.595 -2.898 1.00 0.00 C ATOM 0 H VAL A 55 -4.373 -4.296 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.786 -4.340 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.974 -2.346 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.077 -1.207 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.656 -2.857 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.910 -2.536 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.319 -0.569 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.038 -1.801 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.283 -1.728 -3.962 1.00 0.00 H new ATOM 848 N ARG A 56 -4.781 -5.270 -0.874 1.00 0.00 N ATOM 849 CA ARG A 56 -5.806 -5.936 -0.274 1.00 0.00 C ATOM 850 C ARG A 56 -5.864 -5.468 1.136 1.00 0.00 C ATOM 851 O ARG A 56 -4.835 -5.045 1.694 1.00 0.00 O ATOM 852 CB ARG A 56 -5.531 -7.405 -0.330 1.00 0.00 C ATOM 853 CG ARG A 56 -5.429 -7.965 -1.739 1.00 0.00 C ATOM 854 CD ARG A 56 -6.688 -7.749 -2.585 1.00 0.00 C ATOM 855 NE ARG A 56 -7.919 -7.699 -1.785 1.00 0.00 N ATOM 856 CZ ARG A 56 -8.791 -6.664 -1.813 1.00 0.00 C ATOM 857 NH1 ARG A 56 -8.660 -5.694 -2.719 1.00 0.00 N ATOM 858 NH2 ARG A 56 -9.758 -6.592 -0.917 1.00 0.00 N ATOM 0 H ARG A 56 -3.930 -5.237 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.757 -5.747 -0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.600 -7.610 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.323 -7.932 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.581 -7.502 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.221 -9.033 -1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.587 -6.819 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.769 -8.553 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.128 -8.489 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.899 -5.729 -3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.321 -4.917 -2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.848 -7.316 -0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.415 -5.812 -0.938 1.00 0.00 H new ATOM 872 N LEU A 57 -7.017 -5.498 1.687 1.00 0.00 N ATOM 873 CA LEU A 57 -7.242 -5.118 3.074 1.00 0.00 C ATOM 874 C LEU A 57 -6.608 -6.152 4.027 1.00 0.00 C ATOM 875 O LEU A 57 -5.813 -7.014 3.612 1.00 0.00 O ATOM 876 CB LEU A 57 -8.755 -5.054 3.334 1.00 0.00 C ATOM 877 CG LEU A 57 -9.568 -4.135 2.415 1.00 0.00 C ATOM 878 CD1 LEU A 57 -11.047 -4.225 2.748 1.00 0.00 C ATOM 879 CD2 LEU A 57 -9.089 -2.700 2.523 1.00 0.00 C ATOM 0 H LEU A 57 -7.863 -5.789 1.198 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.784 -4.146 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.159 -6.063 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.911 -4.732 4.364 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.421 -4.467 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.610 -3.566 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.388 -5.252 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.206 -3.922 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.681 -2.068 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.201 -2.355 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.039 -2.644 2.234 1.00 0.00 H new ATOM 891 N ILE A 58 -6.904 -6.030 5.291 1.00 0.00 N ATOM 892 CA ILE A 58 -6.523 -7.039 6.259 1.00 0.00 C ATOM 893 C ILE A 58 -7.387 -8.295 6.088 1.00 0.00 C ATOM 894 O ILE A 58 -8.445 -8.456 6.697 1.00 0.00 O ATOM 895 CB ILE A 58 -6.519 -6.533 7.731 1.00 0.00 C ATOM 896 CG1 ILE A 58 -7.815 -5.759 8.072 1.00 0.00 C ATOM 897 CG2 ILE A 58 -5.277 -5.689 7.999 1.00 0.00 C ATOM 898 CD1 ILE A 58 -7.902 -5.288 9.514 1.00 0.00 C ATOM 0 H ILE A 58 -7.412 -5.238 5.684 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.484 -7.294 6.049 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.488 -7.403 8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.891 -4.893 7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.672 -6.397 7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.289 -5.342 9.032 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.384 -6.291 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.269 -4.830 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.841 -4.755 9.667 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.861 -6.149 10.181 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.067 -4.621 9.730 1.00 0.00 H new