USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 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 20 THR OG1 : rot 110:sc= -0.642 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.317 F(o=-2.3,f=0.32) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 96:sc= 0.174 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -93:sc= -2.05! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= 0.452 (180deg=-1.39) USER MOD Single : A 71 CYS SG : rot -50:sc= -1.86! USER MOD Single : A 78 ASN : amide:sc= -0.595 K(o=-0.6,f=-1.9) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 159:sc= -0.673! USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 92 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= -0.0724 (180deg=-0.605) USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 18 -10.408 -0.556 6.561 1.00 0.00 N ATOM 213 CA GLU A 18 -11.077 -1.559 5.750 1.00 0.00 C ATOM 214 C GLU A 18 -11.326 -1.020 4.340 1.00 0.00 C ATOM 215 O GLU A 18 -11.850 0.081 4.175 1.00 0.00 O ATOM 216 CB GLU A 18 -12.385 -2.009 6.403 1.00 0.00 C ATOM 217 CG GLU A 18 -13.491 -0.975 6.186 1.00 0.00 C ATOM 218 CD GLU A 18 -14.419 -0.901 7.401 1.00 0.00 C ATOM 219 OE1 GLU A 18 -13.923 -0.481 8.469 1.00 0.00 O ATOM 220 OE2 GLU A 18 -15.602 -1.267 7.234 1.00 0.00 O ATOM 0 HA GLU A 18 -10.427 -2.431 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.692 -2.968 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.229 -2.161 7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.048 0.004 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.068 -1.235 5.299 1.00 0.00 H new ATOM 227 N LEU A 19 -10.939 -1.821 3.358 1.00 0.00 N ATOM 228 CA LEU A 19 -11.114 -1.438 1.967 1.00 0.00 C ATOM 229 C LEU A 19 -12.603 -1.238 1.681 1.00 0.00 C ATOM 230 O LEU A 19 -13.439 -1.424 2.564 1.00 0.00 O ATOM 231 CB LEU A 19 -10.441 -2.456 1.043 1.00 0.00 C ATOM 232 CG LEU A 19 -8.914 -2.516 1.111 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.292 -1.189 0.671 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.443 -2.936 2.505 1.00 0.00 C ATOM 0 H LEU A 19 -10.505 -2.733 3.498 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.621 -0.486 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.835 -3.445 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.731 -2.232 0.016 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.571 -3.279 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.206 -1.259 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.587 -0.971 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.639 -0.390 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.354 -2.971 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.797 -2.215 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.842 -3.922 2.742 1.00 0.00 H new ATOM 246 N THR A 20 -12.890 -0.862 0.443 1.00 0.00 N ATOM 247 CA THR A 20 -14.264 -0.634 0.030 1.00 0.00 C ATOM 248 C THR A 20 -14.450 -1.020 -1.439 1.00 0.00 C ATOM 249 O THR A 20 -13.482 -1.082 -2.196 1.00 0.00 O ATOM 250 CB THR A 20 -14.611 0.827 0.323 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.771 1.566 -0.560 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.162 1.267 1.718 1.00 0.00 C ATOM 0 H THR A 20 -12.194 -0.710 -0.287 1.00 0.00 H new ATOM 0 HA THR A 20 -14.955 -1.265 0.590 1.00 0.00 H new ATOM 0 HB THR A 20 -15.687 0.971 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.317 1.979 -1.261 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.432 2.311 1.875 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.652 0.649 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.081 1.155 1.805 1.00 0.00 H new ATOM 260 N GLU A 21 -15.701 -1.269 -1.799 1.00 0.00 N ATOM 261 CA GLU A 21 -16.026 -1.647 -3.164 1.00 0.00 C ATOM 262 C GLU A 21 -15.175 -0.847 -4.153 1.00 0.00 C ATOM 263 O GLU A 21 -14.868 -1.328 -5.243 1.00 0.00 O ATOM 264 CB GLU A 21 -17.517 -1.457 -3.445 1.00 0.00 C ATOM 265 CG GLU A 21 -18.021 -2.490 -4.456 1.00 0.00 C ATOM 266 CD GLU A 21 -18.958 -1.844 -5.478 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.505 -0.882 -6.136 1.00 0.00 O ATOM 268 OE2 GLU A 21 -20.107 -2.326 -5.578 1.00 0.00 O ATOM 0 H GLU A 21 -16.501 -1.216 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.798 -2.705 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.080 -1.547 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.693 -0.452 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.174 -2.944 -4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.544 -3.291 -3.933 1.00 0.00 H new ATOM 275 N ALA A 22 -14.819 0.359 -3.737 1.00 0.00 N ATOM 276 CA ALA A 22 -14.011 1.230 -4.573 1.00 0.00 C ATOM 277 C ALA A 22 -12.530 0.986 -4.274 1.00 0.00 C ATOM 278 O ALA A 22 -11.777 0.564 -5.150 1.00 0.00 O ATOM 279 CB ALA A 22 -14.420 2.686 -4.340 1.00 0.00 C ATOM 0 H ALA A 22 -15.075 0.754 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.176 1.010 -5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.814 3.339 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.472 2.813 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.266 2.944 -3.292 1.00 0.00 H new ATOM 285 N GLU A 23 -12.157 1.263 -3.033 1.00 0.00 N ATOM 286 CA GLU A 23 -10.780 1.078 -2.607 1.00 0.00 C ATOM 287 C GLU A 23 -10.269 -0.297 -3.042 1.00 0.00 C ATOM 288 O GLU A 23 -9.172 -0.412 -3.586 1.00 0.00 O ATOM 289 CB GLU A 23 -10.644 1.261 -1.094 1.00 0.00 C ATOM 290 CG GLU A 23 -10.149 2.668 -0.754 1.00 0.00 C ATOM 291 CD GLU A 23 -8.853 2.988 -1.501 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.941 2.136 -1.447 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.804 4.079 -2.109 1.00 0.00 O ATOM 0 H GLU A 23 -12.784 1.614 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.167 1.840 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.607 1.085 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.950 0.521 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.914 3.400 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.984 2.750 0.320 1.00 0.00 H new ATOM 300 N LEU A 24 -11.089 -1.305 -2.785 1.00 0.00 N ATOM 301 CA LEU A 24 -10.735 -2.668 -3.143 1.00 0.00 C ATOM 302 C LEU A 24 -10.208 -2.693 -4.579 1.00 0.00 C ATOM 303 O LEU A 24 -9.240 -3.392 -4.877 1.00 0.00 O ATOM 304 CB LEU A 24 -11.917 -3.610 -2.905 1.00 0.00 C ATOM 305 CG LEU A 24 -11.948 -4.318 -1.549 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.209 -5.172 -1.406 1.00 0.00 C ATOM 307 CD2 LEU A 24 -10.674 -5.135 -1.328 1.00 0.00 C ATOM 0 H LEU A 24 -11.998 -1.205 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.933 -3.034 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.839 -3.039 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.915 -4.368 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.983 -3.559 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.207 -5.664 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.090 -4.536 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.230 -5.925 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.722 -5.628 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.583 -5.886 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.808 -4.474 -1.357 1.00 0.00 H new ATOM 319 N VAL A 25 -10.867 -1.922 -5.431 1.00 0.00 N ATOM 320 CA VAL A 25 -10.477 -1.847 -6.828 1.00 0.00 C ATOM 321 C VAL A 25 -9.154 -1.089 -6.944 1.00 0.00 C ATOM 322 O VAL A 25 -8.343 -1.378 -7.823 1.00 0.00 O ATOM 323 CB VAL A 25 -11.602 -1.217 -7.652 1.00 0.00 C ATOM 324 CG1 VAL A 25 -11.141 -0.934 -9.084 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.851 -2.101 -7.643 1.00 0.00 C ATOM 0 H VAL A 25 -11.669 -1.344 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.315 -2.846 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.862 -0.265 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.959 -0.487 -9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.295 -0.247 -9.065 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.840 -1.867 -9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.635 -1.630 -8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.610 -3.075 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.199 -2.229 -6.618 1.00 0.00 H new ATOM 335 N THR A 26 -8.976 -0.132 -6.045 1.00 0.00 N ATOM 336 CA THR A 26 -7.765 0.671 -6.035 1.00 0.00 C ATOM 337 C THR A 26 -6.591 -0.143 -5.488 1.00 0.00 C ATOM 338 O THR A 26 -5.494 -0.109 -6.045 1.00 0.00 O ATOM 339 CB THR A 26 -8.047 1.943 -5.235 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.556 2.857 -6.203 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.768 2.612 -4.727 1.00 0.00 C ATOM 0 H THR A 26 -9.651 0.105 -5.318 1.00 0.00 H new ATOM 0 HA THR A 26 -7.476 0.963 -7.045 1.00 0.00 H new ATOM 0 HB THR A 26 -8.691 1.703 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.767 3.710 -5.769 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.025 3.510 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.229 1.921 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.137 2.882 -5.574 1.00 0.00 H new ATOM 349 N ALA A 27 -6.860 -0.856 -4.404 1.00 0.00 N ATOM 350 CA ALA A 27 -5.839 -1.677 -3.775 1.00 0.00 C ATOM 351 C ALA A 27 -5.342 -2.721 -4.777 1.00 0.00 C ATOM 352 O ALA A 27 -4.137 -2.896 -4.951 1.00 0.00 O ATOM 353 CB ALA A 27 -6.406 -2.312 -2.504 1.00 0.00 C ATOM 0 H ALA A 27 -7.771 -0.882 -3.945 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.984 -1.068 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.640 -2.928 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.718 -1.528 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.265 -2.933 -2.759 1.00 0.00 H new ATOM 359 N GLU A 28 -6.296 -3.387 -5.411 1.00 0.00 N ATOM 360 CA GLU A 28 -5.970 -4.409 -6.391 1.00 0.00 C ATOM 361 C GLU A 28 -5.074 -3.828 -7.486 1.00 0.00 C ATOM 362 O GLU A 28 -4.193 -4.514 -8.002 1.00 0.00 O ATOM 363 CB GLU A 28 -7.239 -5.021 -6.988 1.00 0.00 C ATOM 364 CG GLU A 28 -8.086 -3.954 -7.684 1.00 0.00 C ATOM 365 CD GLU A 28 -9.150 -4.596 -8.578 1.00 0.00 C ATOM 366 OE1 GLU A 28 -10.169 -5.047 -8.012 1.00 0.00 O ATOM 367 OE2 GLU A 28 -8.919 -4.620 -9.806 1.00 0.00 O ATOM 0 H GLU A 28 -7.295 -3.239 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.424 -5.207 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.971 -5.800 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.823 -5.497 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.566 -3.322 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.444 -3.308 -8.283 1.00 0.00 H new ATOM 374 N ALA A 29 -5.329 -2.569 -7.809 1.00 0.00 N ATOM 375 CA ALA A 29 -4.556 -1.887 -8.834 1.00 0.00 C ATOM 376 C ALA A 29 -3.087 -1.837 -8.410 1.00 0.00 C ATOM 377 O ALA A 29 -2.192 -2.000 -9.238 1.00 0.00 O ATOM 378 CB ALA A 29 -5.142 -0.494 -9.073 1.00 0.00 C ATOM 0 H ALA A 29 -6.060 -2.003 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.608 -2.429 -9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.563 0.018 -9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.178 -0.586 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.104 0.080 -8.147 1.00 0.00 H new ATOM 384 N VAL A 30 -2.884 -1.612 -7.120 1.00 0.00 N ATOM 385 CA VAL A 30 -1.539 -1.538 -6.576 1.00 0.00 C ATOM 386 C VAL A 30 -0.880 -2.916 -6.667 1.00 0.00 C ATOM 387 O VAL A 30 0.282 -3.029 -7.055 1.00 0.00 O ATOM 388 CB VAL A 30 -1.581 -0.989 -5.148 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.243 -1.207 -4.438 1.00 0.00 C ATOM 390 CG2 VAL A 30 -1.971 0.490 -5.141 1.00 0.00 C ATOM 0 H VAL A 30 -3.629 -1.479 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.930 -0.847 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.345 -1.539 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.299 -0.808 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.023 -2.274 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.548 -0.695 -4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.994 0.855 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.241 1.062 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.957 0.608 -5.590 1.00 0.00 H new ATOM 400 N ARG A 31 -1.652 -3.931 -6.305 1.00 0.00 N ATOM 401 CA ARG A 31 -1.158 -5.297 -6.341 1.00 0.00 C ATOM 402 C ARG A 31 -0.499 -5.587 -7.691 1.00 0.00 C ATOM 403 O ARG A 31 0.553 -6.222 -7.748 1.00 0.00 O ATOM 404 CB ARG A 31 -2.291 -6.298 -6.108 1.00 0.00 C ATOM 405 CG ARG A 31 -1.777 -7.554 -5.401 1.00 0.00 C ATOM 406 CD ARG A 31 -2.925 -8.320 -4.741 1.00 0.00 C ATOM 407 NE ARG A 31 -3.800 -7.383 -4.001 1.00 0.00 N ATOM 408 CZ ARG A 31 -5.080 -7.634 -3.696 1.00 0.00 C ATOM 409 NH1 ARG A 31 -5.643 -8.793 -4.065 1.00 0.00 N ATOM 410 NH2 ARG A 31 -5.798 -6.725 -3.022 1.00 0.00 N ATOM 0 H ARG A 31 -2.616 -3.834 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.423 -5.406 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.074 -5.833 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.741 -6.572 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.271 -8.199 -6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.040 -7.276 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.503 -8.849 -5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.527 -9.073 -4.061 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.404 -6.491 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.097 -9.485 -4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.618 -8.983 -3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.370 -5.843 -2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.773 -6.915 -2.789 1.00 0.00 H new ATOM 424 N SER A 32 -1.145 -5.109 -8.744 1.00 0.00 N ATOM 425 CA SER A 32 -0.635 -5.310 -10.090 1.00 0.00 C ATOM 426 C SER A 32 0.765 -4.705 -10.214 1.00 0.00 C ATOM 427 O SER A 32 1.617 -5.243 -10.918 1.00 0.00 O ATOM 428 CB SER A 32 -1.573 -4.696 -11.131 1.00 0.00 C ATOM 429 OG SER A 32 -1.020 -4.748 -12.444 1.00 0.00 O ATOM 0 H SER A 32 -2.017 -4.583 -8.693 1.00 0.00 H new ATOM 0 HA SER A 32 -0.579 -6.382 -10.279 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.526 -5.225 -11.118 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.780 -3.659 -10.866 1.00 0.00 H new ATOM 0 HG SER A 32 -1.649 -4.348 -13.080 1.00 0.00 H new ATOM 435 N VAL A 33 0.958 -3.593 -9.519 1.00 0.00 N ATOM 436 CA VAL A 33 2.240 -2.909 -9.543 1.00 0.00 C ATOM 437 C VAL A 33 3.321 -3.841 -8.990 1.00 0.00 C ATOM 438 O VAL A 33 4.392 -3.973 -9.579 1.00 0.00 O ATOM 439 CB VAL A 33 2.142 -1.587 -8.779 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.449 -0.797 -8.881 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.958 -0.755 -9.273 1.00 0.00 C ATOM 0 H VAL A 33 0.248 -3.149 -8.936 1.00 0.00 H new ATOM 0 HA VAL A 33 2.520 -2.658 -10.566 1.00 0.00 H new ATOM 0 HB VAL A 33 1.972 -1.819 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.353 0.138 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.264 -1.385 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.663 -0.581 -9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.911 0.179 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.084 -0.537 -10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.034 -1.313 -9.125 1.00 0.00 H new ATOM 451 N TRP A 34 3.001 -4.463 -7.864 1.00 0.00 N ATOM 452 CA TRP A 34 3.932 -5.378 -7.225 1.00 0.00 C ATOM 453 C TRP A 34 4.185 -6.541 -8.186 1.00 0.00 C ATOM 454 O TRP A 34 5.333 -6.852 -8.500 1.00 0.00 O ATOM 455 CB TRP A 34 3.405 -5.832 -5.862 1.00 0.00 C ATOM 456 CG TRP A 34 3.324 -4.713 -4.822 1.00 0.00 C ATOM 457 CD1 TRP A 34 2.861 -3.466 -4.985 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.739 -4.790 -3.442 1.00 0.00 C ATOM 459 NE1 TRP A 34 2.947 -2.737 -3.817 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.498 -3.568 -2.848 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.301 -5.858 -2.719 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.787 -3.298 -1.505 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.583 -5.571 -1.378 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.347 -4.346 -0.766 1.00 0.00 C ATOM 0 H TRP A 34 2.111 -4.351 -7.378 1.00 0.00 H new ATOM 0 HA TRP A 34 4.881 -4.883 -7.020 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.413 -6.265 -5.993 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.050 -6.623 -5.480 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.469 -3.080 -5.915 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.659 -1.767 -3.688 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.499 -6.822 -3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.588 -2.333 -1.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 5.015 -6.357 -0.777 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.595 -4.203 0.275 1.00 0.00 H new ATOM 475 N GLN A 35 3.095 -7.152 -8.625 1.00 0.00 N ATOM 476 CA GLN A 35 3.185 -8.275 -9.544 1.00 0.00 C ATOM 477 C GLN A 35 4.001 -7.886 -10.778 1.00 0.00 C ATOM 478 O GLN A 35 5.018 -8.511 -11.077 1.00 0.00 O ATOM 479 CB GLN A 35 1.794 -8.772 -9.940 1.00 0.00 C ATOM 480 CG GLN A 35 1.224 -9.713 -8.877 1.00 0.00 C ATOM 481 CD GLN A 35 1.357 -11.175 -9.311 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.593 -11.527 -9.653 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.401 -11.932 -9.334 1.00 0.00 N flip ATOM 0 H GLN A 35 2.145 -6.891 -8.362 1.00 0.00 H new ATOM 0 HA GLN A 35 3.696 -9.094 -9.038 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.125 -7.922 -10.075 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.848 -9.290 -10.898 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.748 -9.561 -7.933 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.175 -9.476 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.522 -11.596 -9.058 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.524 -12.901 -9.629 1.00 0.00 H new ATOM 492 N ARG A 36 3.525 -6.856 -11.463 1.00 0.00 N ATOM 493 CA ARG A 36 4.197 -6.377 -12.658 1.00 0.00 C ATOM 494 C ARG A 36 5.685 -6.156 -12.378 1.00 0.00 C ATOM 495 O ARG A 36 6.537 -6.601 -13.145 1.00 0.00 O ATOM 496 CB ARG A 36 3.578 -5.067 -13.151 1.00 0.00 C ATOM 497 CG ARG A 36 2.306 -5.332 -13.959 1.00 0.00 C ATOM 498 CD ARG A 36 1.732 -4.029 -14.519 1.00 0.00 C ATOM 499 NE ARG A 36 0.950 -4.306 -15.745 1.00 0.00 N ATOM 500 CZ ARG A 36 0.099 -3.436 -16.306 1.00 0.00 C ATOM 501 NH1 ARG A 36 -0.085 -2.229 -15.755 1.00 0.00 N ATOM 502 NH2 ARG A 36 -0.568 -3.774 -17.418 1.00 0.00 N ATOM 0 H ARG A 36 2.681 -6.340 -11.212 1.00 0.00 H new ATOM 0 HA ARG A 36 4.078 -7.136 -13.432 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.346 -4.427 -12.300 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.299 -4.529 -13.767 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.527 -6.018 -14.777 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.564 -5.819 -13.326 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.097 -3.551 -13.773 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.540 -3.333 -14.743 1.00 0.00 H new ATOM 0 HE ARG A 36 1.066 -5.216 -16.191 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.423 -1.972 -14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.733 -1.567 -16.182 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.428 -4.693 -17.837 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.216 -3.112 -17.845 1.00 0.00 H new ATOM 516 N ILE A 37 5.951 -5.470 -11.277 1.00 0.00 N ATOM 517 CA ILE A 37 7.322 -5.185 -10.886 1.00 0.00 C ATOM 518 C ILE A 37 8.049 -6.499 -10.599 1.00 0.00 C ATOM 519 O ILE A 37 8.879 -6.940 -11.393 1.00 0.00 O ATOM 520 CB ILE A 37 7.351 -4.197 -9.718 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.007 -2.782 -10.186 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.696 -4.249 -8.990 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.232 -1.764 -9.067 1.00 0.00 C ATOM 0 H ILE A 37 5.241 -5.103 -10.643 1.00 0.00 H new ATOM 0 HA ILE A 37 7.857 -4.696 -11.700 1.00 0.00 H new ATOM 0 HB ILE A 37 6.585 -4.493 -9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.621 -2.521 -11.048 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.967 -2.746 -10.512 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.691 -3.537 -8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.861 -5.254 -8.602 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.496 -3.993 -9.685 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.980 -0.766 -9.427 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.599 -2.014 -8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.278 -1.786 -8.760 1.00 0.00 H new ATOM 535 N LEU A 38 7.713 -7.089 -9.461 1.00 0.00 N ATOM 536 CA LEU A 38 8.324 -8.344 -9.059 1.00 0.00 C ATOM 537 C LEU A 38 8.034 -9.410 -10.118 1.00 0.00 C ATOM 538 O LEU A 38 6.895 -9.850 -10.265 1.00 0.00 O ATOM 539 CB LEU A 38 7.868 -8.736 -7.652 1.00 0.00 C ATOM 540 CG LEU A 38 8.112 -7.698 -6.555 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.237 -7.976 -5.332 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.597 -7.622 -6.192 1.00 0.00 C ATOM 0 H LEU A 38 7.025 -6.720 -8.804 1.00 0.00 H new ATOM 0 HA LEU A 38 9.407 -8.238 -9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.801 -8.956 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.375 -9.659 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 38 7.824 -6.720 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.430 -7.223 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.186 -7.939 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.470 -8.964 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.743 -6.877 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.934 -8.595 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.173 -7.340 -7.073 1.00 0.00 H new ATOM 554 N PRO A 39 9.112 -9.804 -10.848 1.00 0.00 N ATOM 555 CA PRO A 39 8.984 -10.809 -11.889 1.00 0.00 C ATOM 556 C PRO A 39 8.838 -12.208 -11.286 1.00 0.00 C ATOM 557 O PRO A 39 7.761 -12.800 -11.337 1.00 0.00 O ATOM 558 CB PRO A 39 10.235 -10.657 -12.739 1.00 0.00 C ATOM 559 CG PRO A 39 11.232 -9.895 -11.880 1.00 0.00 C ATOM 560 CD PRO A 39 10.476 -9.304 -10.702 1.00 0.00 C ATOM 0 HA PRO A 39 8.088 -10.675 -12.495 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.632 -11.630 -13.028 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.018 -10.115 -13.660 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.022 -10.560 -11.532 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.712 -9.107 -12.460 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.913 -9.617 -9.754 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.502 -8.214 -10.721 1.00 0.00 H new ATOM 568 N LYS A 40 9.937 -12.694 -10.728 1.00 0.00 N ATOM 569 CA LYS A 40 9.944 -14.012 -10.115 1.00 0.00 C ATOM 570 C LYS A 40 8.636 -14.222 -9.350 1.00 0.00 C ATOM 571 O LYS A 40 8.059 -15.307 -9.387 1.00 0.00 O ATOM 572 CB LYS A 40 11.196 -14.195 -9.255 1.00 0.00 C ATOM 573 CG LYS A 40 12.464 -14.113 -10.107 1.00 0.00 C ATOM 574 CD LYS A 40 13.627 -14.843 -9.431 1.00 0.00 C ATOM 575 CE LYS A 40 14.954 -14.132 -9.704 1.00 0.00 C ATOM 576 NZ LYS A 40 15.788 -14.930 -10.631 1.00 0.00 N ATOM 0 H LYS A 40 10.828 -12.199 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 40 9.994 -14.787 -10.879 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.224 -13.429 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.156 -15.159 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.276 -14.550 -11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.731 -13.069 -10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.453 -14.895 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.678 -15.869 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.765 -13.147 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.489 -13.975 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.685 -14.433 -10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.984 -15.860 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.282 -15.058 -11.531 1.00 0.00 H new ATOM 590 N VAL A 41 8.206 -13.166 -8.676 1.00 0.00 N ATOM 591 CA VAL A 41 6.977 -13.221 -7.903 1.00 0.00 C ATOM 592 C VAL A 41 5.800 -13.484 -8.845 1.00 0.00 C ATOM 593 O VAL A 41 5.548 -12.704 -9.762 1.00 0.00 O ATOM 594 CB VAL A 41 6.814 -11.937 -7.087 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.489 -11.938 -6.322 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.996 -11.738 -6.136 1.00 0.00 C ATOM 0 H VAL A 41 8.687 -12.267 -8.649 1.00 0.00 H new ATOM 0 HA VAL A 41 7.012 -14.042 -7.187 1.00 0.00 H new ATOM 0 HB VAL A 41 6.799 -11.098 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.398 -11.014 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.661 -12.011 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.462 -12.790 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.855 -10.818 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.057 -12.583 -5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.919 -11.671 -6.712 1.00 0.00 H new ATOM 606 N LEU A 42 5.110 -14.585 -8.585 1.00 0.00 N ATOM 607 CA LEU A 42 3.966 -14.960 -9.397 1.00 0.00 C ATOM 608 C LEU A 42 2.684 -14.459 -8.729 1.00 0.00 C ATOM 609 O LEU A 42 1.725 -14.098 -9.409 1.00 0.00 O ATOM 610 CB LEU A 42 3.970 -16.467 -9.666 1.00 0.00 C ATOM 611 CG LEU A 42 4.929 -16.951 -10.756 1.00 0.00 C ATOM 612 CD1 LEU A 42 4.174 -17.698 -11.857 1.00 0.00 C ATOM 613 CD2 LEU A 42 5.756 -15.791 -11.313 1.00 0.00 C ATOM 0 H LEU A 42 5.322 -15.229 -7.823 1.00 0.00 H new ATOM 0 HA LEU A 42 4.023 -14.484 -10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.218 -16.981 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.959 -16.770 -9.938 1.00 0.00 H new ATOM 0 HG LEU A 42 5.628 -17.658 -10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.878 -18.031 -12.619 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.667 -18.562 -11.428 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.438 -17.033 -12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.429 -16.162 -12.086 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.090 -15.042 -11.741 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.339 -15.341 -10.509 1.00 0.00 H new ATOM 625 N GLU A 43 2.710 -14.452 -7.404 1.00 0.00 N ATOM 626 CA GLU A 43 1.562 -14.001 -6.636 1.00 0.00 C ATOM 627 C GLU A 43 2.000 -12.999 -5.565 1.00 0.00 C ATOM 628 O GLU A 43 3.052 -13.164 -4.950 1.00 0.00 O ATOM 629 CB GLU A 43 0.822 -15.184 -6.009 1.00 0.00 C ATOM 630 CG GLU A 43 1.534 -15.669 -4.745 1.00 0.00 C ATOM 631 CD GLU A 43 1.218 -17.140 -4.467 1.00 0.00 C ATOM 632 OE1 GLU A 43 0.191 -17.383 -3.797 1.00 0.00 O ATOM 633 OE2 GLU A 43 2.010 -17.988 -4.931 1.00 0.00 O ATOM 0 H GLU A 43 3.508 -14.751 -6.843 1.00 0.00 H new ATOM 0 HA GLU A 43 0.871 -13.500 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.199 -14.891 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.756 -15.999 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.610 -15.540 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.227 -15.060 -3.894 1.00 0.00 H new ATOM 640 N VAL A 44 1.171 -11.983 -5.377 1.00 0.00 N ATOM 641 CA VAL A 44 1.460 -10.954 -4.392 1.00 0.00 C ATOM 642 C VAL A 44 0.352 -10.940 -3.336 1.00 0.00 C ATOM 643 O VAL A 44 -0.799 -10.636 -3.644 1.00 0.00 O ATOM 644 CB VAL A 44 1.644 -9.603 -5.084 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.287 -8.451 -4.142 1.00 0.00 C ATOM 646 CG2 VAL A 44 3.068 -9.451 -5.622 1.00 0.00 C ATOM 0 H VAL A 44 0.299 -11.850 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 44 2.397 -11.170 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 44 0.961 -9.566 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.427 -7.502 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.247 -8.545 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.933 -8.485 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.171 -8.481 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.778 -9.520 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.271 -10.243 -6.343 1.00 0.00 H new ATOM 656 N GLU A 45 0.739 -11.272 -2.113 1.00 0.00 N ATOM 657 CA GLU A 45 -0.207 -11.301 -1.011 1.00 0.00 C ATOM 658 C GLU A 45 0.154 -10.235 0.026 1.00 0.00 C ATOM 659 O GLU A 45 1.032 -9.406 -0.210 1.00 0.00 O ATOM 660 CB GLU A 45 -0.263 -12.690 -0.373 1.00 0.00 C ATOM 661 CG GLU A 45 1.124 -13.132 0.100 1.00 0.00 C ATOM 662 CD GLU A 45 1.587 -14.382 -0.652 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.167 -15.483 -0.234 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.349 -14.208 -1.627 1.00 0.00 O ATOM 0 H GLU A 45 1.695 -11.523 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.199 -11.077 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.953 -12.679 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.652 -13.410 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.839 -12.324 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.099 -13.335 1.171 1.00 0.00 H new ATOM 671 N ASP A 46 -0.542 -10.291 1.152 1.00 0.00 N ATOM 672 CA ASP A 46 -0.306 -9.341 2.226 1.00 0.00 C ATOM 673 C ASP A 46 0.990 -9.709 2.951 1.00 0.00 C ATOM 674 O ASP A 46 1.585 -8.873 3.629 1.00 0.00 O ATOM 675 CB ASP A 46 -1.444 -9.370 3.247 1.00 0.00 C ATOM 676 CG ASP A 46 -1.874 -10.768 3.697 1.00 0.00 C ATOM 677 OD1 ASP A 46 -1.054 -11.696 3.526 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.012 -10.877 4.202 1.00 0.00 O ATOM 0 H ASP A 46 -1.270 -10.980 1.344 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.241 -8.345 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.139 -8.800 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.308 -8.860 2.820 1.00 0.00 H new ATOM 683 N SER A 47 1.389 -10.961 2.783 1.00 0.00 N ATOM 684 CA SER A 47 2.603 -11.450 3.414 1.00 0.00 C ATOM 685 C SER A 47 3.812 -11.147 2.526 1.00 0.00 C ATOM 686 O SER A 47 4.952 -11.199 2.986 1.00 0.00 O ATOM 687 CB SER A 47 2.513 -12.952 3.693 1.00 0.00 C ATOM 688 OG SER A 47 2.962 -13.279 5.005 1.00 0.00 O ATOM 0 H SER A 47 0.893 -11.651 2.219 1.00 0.00 H new ATOM 0 HA SER A 47 2.723 -10.937 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.482 -13.282 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.111 -13.493 2.960 1.00 0.00 H new ATOM 0 HG SER A 47 2.887 -14.246 5.145 1.00 0.00 H new ATOM 694 N THR A 48 3.522 -10.838 1.271 1.00 0.00 N ATOM 695 CA THR A 48 4.571 -10.527 0.315 1.00 0.00 C ATOM 696 C THR A 48 5.284 -9.231 0.709 1.00 0.00 C ATOM 697 O THR A 48 4.676 -8.161 0.713 1.00 0.00 O ATOM 698 CB THR A 48 3.941 -10.475 -1.078 1.00 0.00 C ATOM 699 OG1 THR A 48 4.237 -11.750 -1.640 1.00 0.00 O ATOM 700 CG2 THR A 48 4.651 -9.485 -2.005 1.00 0.00 C ATOM 0 H THR A 48 2.575 -10.796 0.894 1.00 0.00 H new ATOM 0 HA THR A 48 5.343 -11.297 0.310 1.00 0.00 H new ATOM 0 HB THR A 48 2.890 -10.201 -0.991 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.477 -12.353 -1.502 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.165 -9.487 -2.980 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.600 -8.484 -1.576 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.695 -9.778 -2.119 1.00 0.00 H new ATOM 708 N ASP A 49 6.562 -9.370 1.029 1.00 0.00 N ATOM 709 CA ASP A 49 7.363 -8.224 1.423 1.00 0.00 C ATOM 710 C ASP A 49 8.071 -7.654 0.192 1.00 0.00 C ATOM 711 O ASP A 49 8.929 -8.312 -0.395 1.00 0.00 O ATOM 712 CB ASP A 49 8.434 -8.624 2.441 1.00 0.00 C ATOM 713 CG ASP A 49 8.743 -7.567 3.503 1.00 0.00 C ATOM 714 OD1 ASP A 49 9.517 -6.642 3.175 1.00 0.00 O ATOM 715 OD2 ASP A 49 8.198 -7.708 4.619 1.00 0.00 O ATOM 0 H ASP A 49 7.062 -10.259 1.023 1.00 0.00 H new ATOM 0 HA ASP A 49 6.698 -7.486 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.115 -9.538 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.354 -8.859 1.905 1.00 0.00 H new ATOM 720 N PHE A 50 7.684 -6.438 -0.163 1.00 0.00 N ATOM 721 CA PHE A 50 8.270 -5.773 -1.314 1.00 0.00 C ATOM 722 C PHE A 50 9.784 -5.994 -1.363 1.00 0.00 C ATOM 723 O PHE A 50 10.381 -5.988 -2.439 1.00 0.00 O ATOM 724 CB PHE A 50 7.991 -4.277 -1.157 1.00 0.00 C ATOM 725 CG PHE A 50 8.346 -3.444 -2.390 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.765 -3.722 -3.588 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.241 -2.426 -2.289 1.00 0.00 C ATOM 728 CE1 PHE A 50 8.094 -2.950 -4.733 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.570 -1.653 -3.434 1.00 0.00 C ATOM 730 CZ PHE A 50 8.990 -1.931 -4.632 1.00 0.00 C ATOM 0 H PHE A 50 6.972 -5.896 0.326 1.00 0.00 H new ATOM 0 HA PHE A 50 7.841 -6.173 -2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.934 -4.137 -0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.554 -3.901 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.053 -4.530 -3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.702 -2.205 -1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.633 -3.171 -5.684 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.281 -0.844 -3.353 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.240 -1.343 -5.503 1.00 0.00 H new ATOM 740 N PHE A 51 10.360 -6.184 -0.186 1.00 0.00 N ATOM 741 CA PHE A 51 11.792 -6.407 -0.081 1.00 0.00 C ATOM 742 C PHE A 51 12.126 -7.895 -0.212 1.00 0.00 C ATOM 743 O PHE A 51 12.751 -8.311 -1.187 1.00 0.00 O ATOM 744 CB PHE A 51 12.220 -5.921 1.305 1.00 0.00 C ATOM 745 CG PHE A 51 12.056 -4.414 1.513 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.355 -3.551 0.506 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.610 -3.937 2.707 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.203 -2.153 0.699 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.457 -2.539 2.900 1.00 0.00 C ATOM 750 CZ PHE A 51 11.757 -1.676 1.893 1.00 0.00 C ATOM 0 H PHE A 51 9.861 -6.188 0.704 1.00 0.00 H new ATOM 0 HA PHE A 51 12.311 -5.874 -0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.636 -6.447 2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.264 -6.188 1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.709 -3.929 -0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.373 -4.622 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.441 -1.468 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.102 -2.161 3.847 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.641 -0.612 2.041 1.00 0.00 H new ATOM 760 N LYS A 52 11.696 -8.655 0.784 1.00 0.00 N ATOM 761 CA LYS A 52 11.942 -10.087 0.792 1.00 0.00 C ATOM 762 C LYS A 52 11.720 -10.647 -0.614 1.00 0.00 C ATOM 763 O LYS A 52 12.345 -11.634 -0.999 1.00 0.00 O ATOM 764 CB LYS A 52 11.093 -10.770 1.866 1.00 0.00 C ATOM 765 CG LYS A 52 11.322 -10.129 3.237 1.00 0.00 C ATOM 766 CD LYS A 52 11.079 -11.137 4.361 1.00 0.00 C ATOM 767 CE LYS A 52 9.659 -11.010 4.916 1.00 0.00 C ATOM 768 NZ LYS A 52 9.491 -11.864 6.113 1.00 0.00 N ATOM 0 H LYS A 52 11.179 -8.306 1.591 1.00 0.00 H new ATOM 0 HA LYS A 52 12.979 -10.293 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.038 -10.700 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.341 -11.830 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.342 -9.749 3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.656 -9.275 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.238 -12.149 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.801 -10.976 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.454 -9.971 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.937 -11.298 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.522 -11.765 6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.666 -12.857 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.167 -11.570 6.847 1.00 0.00 H new ATOM 782 N SER A 53 10.830 -9.991 -1.344 1.00 0.00 N ATOM 783 CA SER A 53 10.518 -10.410 -2.700 1.00 0.00 C ATOM 784 C SER A 53 11.764 -10.300 -3.581 1.00 0.00 C ATOM 785 O SER A 53 12.414 -11.302 -3.872 1.00 0.00 O ATOM 786 CB SER A 53 9.377 -9.577 -3.286 1.00 0.00 C ATOM 787 OG SER A 53 9.515 -8.192 -2.978 1.00 0.00 O ATOM 0 H SER A 53 10.315 -9.172 -1.022 1.00 0.00 H new ATOM 0 HA SER A 53 10.193 -11.450 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.352 -9.707 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.426 -9.942 -2.899 1.00 0.00 H new ATOM 0 HG SER A 53 9.021 -7.989 -2.156 1.00 0.00 H new ATOM 793 N GLY A 54 12.059 -9.071 -3.981 1.00 0.00 N ATOM 794 CA GLY A 54 13.216 -8.816 -4.823 1.00 0.00 C ATOM 795 C GLY A 54 13.175 -7.398 -5.395 1.00 0.00 C ATOM 796 O GLY A 54 13.503 -7.186 -6.562 1.00 0.00 O ATOM 0 H GLY A 54 11.517 -8.242 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.129 -8.952 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.244 -9.540 -5.637 1.00 0.00 H new ATOM 800 N ALA A 55 12.771 -6.464 -4.547 1.00 0.00 N ATOM 801 CA ALA A 55 12.683 -5.071 -4.954 1.00 0.00 C ATOM 802 C ALA A 55 14.001 -4.366 -4.629 1.00 0.00 C ATOM 803 O ALA A 55 14.503 -4.465 -3.511 1.00 0.00 O ATOM 804 CB ALA A 55 11.484 -4.413 -4.268 1.00 0.00 C ATOM 0 H ALA A 55 12.501 -6.644 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 55 12.525 -4.994 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.418 -3.369 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.570 -4.933 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.608 -4.468 -3.187 1.00 0.00 H new ATOM 810 N ALA A 56 14.524 -3.669 -5.627 1.00 0.00 N ATOM 811 CA ALA A 56 15.774 -2.947 -5.462 1.00 0.00 C ATOM 812 C ALA A 56 15.484 -1.562 -4.878 1.00 0.00 C ATOM 813 O ALA A 56 14.391 -1.314 -4.371 1.00 0.00 O ATOM 814 CB ALA A 56 16.503 -2.873 -6.805 1.00 0.00 C ATOM 0 H ALA A 56 14.105 -3.589 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 56 16.429 -3.469 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.441 -2.331 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.711 -3.882 -7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.877 -2.353 -7.531 1.00 0.00 H new ATOM 820 N SER A 57 16.483 -0.696 -4.969 1.00 0.00 N ATOM 821 CA SER A 57 16.350 0.657 -4.457 1.00 0.00 C ATOM 822 C SER A 57 15.636 1.538 -5.485 1.00 0.00 C ATOM 823 O SER A 57 15.278 2.677 -5.190 1.00 0.00 O ATOM 824 CB SER A 57 17.715 1.251 -4.107 1.00 0.00 C ATOM 825 OG SER A 57 18.135 0.886 -2.795 1.00 0.00 O ATOM 0 H SER A 57 17.388 -0.905 -5.390 1.00 0.00 H new ATOM 0 HA SER A 57 15.756 0.619 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.455 0.912 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.668 2.337 -4.184 1.00 0.00 H new ATOM 0 HG SER A 57 19.012 1.283 -2.610 1.00 0.00 H new ATOM 831 N VAL A 58 15.450 0.976 -6.671 1.00 0.00 N ATOM 832 CA VAL A 58 14.786 1.696 -7.744 1.00 0.00 C ATOM 833 C VAL A 58 13.287 1.390 -7.706 1.00 0.00 C ATOM 834 O VAL A 58 12.462 2.289 -7.863 1.00 0.00 O ATOM 835 CB VAL A 58 15.433 1.350 -9.086 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.937 1.116 -8.925 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.755 0.136 -9.725 1.00 0.00 C ATOM 0 H VAL A 58 15.748 0.031 -6.912 1.00 0.00 H new ATOM 0 HA VAL A 58 14.902 2.772 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 58 15.295 2.201 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.373 0.872 -9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.406 2.019 -8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.105 0.291 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.234 -0.089 -10.678 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.847 -0.724 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.700 0.354 -9.892 1.00 0.00 H new ATOM 847 N ASP A 59 12.981 0.119 -7.497 1.00 0.00 N ATOM 848 CA ASP A 59 11.596 -0.317 -7.436 1.00 0.00 C ATOM 849 C ASP A 59 10.838 0.545 -6.425 1.00 0.00 C ATOM 850 O ASP A 59 9.675 0.884 -6.641 1.00 0.00 O ATOM 851 CB ASP A 59 11.496 -1.775 -6.983 1.00 0.00 C ATOM 852 CG ASP A 59 12.308 -2.768 -7.816 1.00 0.00 C ATOM 853 OD1 ASP A 59 13.519 -2.508 -7.989 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.701 -3.766 -8.262 1.00 0.00 O ATOM 0 H ASP A 59 13.668 -0.624 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 59 11.168 -0.220 -8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.824 -1.841 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.449 -2.076 -7.006 1.00 0.00 H new ATOM 859 N VAL A 60 11.527 0.876 -5.343 1.00 0.00 N ATOM 860 CA VAL A 60 10.934 1.693 -4.298 1.00 0.00 C ATOM 861 C VAL A 60 10.302 2.937 -4.926 1.00 0.00 C ATOM 862 O VAL A 60 9.169 3.292 -4.603 1.00 0.00 O ATOM 863 CB VAL A 60 11.983 2.027 -3.236 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.424 3.007 -2.202 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.504 0.756 -2.562 1.00 0.00 C ATOM 0 H VAL A 60 12.491 0.593 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 60 10.140 1.146 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 60 12.823 2.510 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.190 3.228 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.125 3.929 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.559 2.563 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.248 1.021 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.676 0.233 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.959 0.107 -3.311 1.00 0.00 H new ATOM 875 N VAL A 61 11.061 3.564 -5.812 1.00 0.00 N ATOM 876 CA VAL A 61 10.589 4.761 -6.488 1.00 0.00 C ATOM 877 C VAL A 61 9.529 4.374 -7.520 1.00 0.00 C ATOM 878 O VAL A 61 8.573 5.116 -7.743 1.00 0.00 O ATOM 879 CB VAL A 61 11.771 5.517 -7.100 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.321 6.859 -7.680 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.889 5.710 -6.073 1.00 0.00 C ATOM 0 H VAL A 61 12.000 3.266 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 61 10.118 5.440 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 61 12.168 4.915 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.179 7.376 -8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.575 6.688 -8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.887 7.470 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.717 6.250 -6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.510 6.281 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.238 4.737 -5.728 1.00 0.00 H new ATOM 891 N ARG A 62 9.732 3.212 -8.124 1.00 0.00 N ATOM 892 CA ARG A 62 8.805 2.717 -9.127 1.00 0.00 C ATOM 893 C ARG A 62 7.440 2.437 -8.496 1.00 0.00 C ATOM 894 O ARG A 62 6.440 3.043 -8.878 1.00 0.00 O ATOM 895 CB ARG A 62 9.330 1.436 -9.778 1.00 0.00 C ATOM 896 CG ARG A 62 9.119 1.464 -11.293 1.00 0.00 C ATOM 897 CD ARG A 62 9.849 0.302 -11.970 1.00 0.00 C ATOM 898 NE ARG A 62 8.965 -0.336 -12.971 1.00 0.00 N ATOM 899 CZ ARG A 62 9.371 -1.263 -13.849 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.649 -1.666 -13.856 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.499 -1.788 -14.722 1.00 0.00 N ATOM 0 H ARG A 62 10.526 2.599 -7.938 1.00 0.00 H new ATOM 0 HA ARG A 62 8.704 3.486 -9.893 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.391 1.320 -9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.820 0.572 -9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.054 1.408 -11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.480 2.410 -11.697 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.757 0.664 -12.452 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.155 -0.431 -11.223 1.00 0.00 H new ATOM 0 HE ARG A 62 7.986 -0.052 -12.994 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.313 -1.267 -13.193 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.958 -2.372 -14.525 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.526 -1.482 -14.718 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.809 -2.494 -15.390 1.00 0.00 H new ATOM 915 N LEU A 63 7.441 1.519 -7.541 1.00 0.00 N ATOM 916 CA LEU A 63 6.215 1.152 -6.854 1.00 0.00 C ATOM 917 C LEU A 63 5.469 2.422 -6.438 1.00 0.00 C ATOM 918 O LEU A 63 4.262 2.533 -6.645 1.00 0.00 O ATOM 919 CB LEU A 63 6.516 0.206 -5.689 1.00 0.00 C ATOM 920 CG LEU A 63 5.566 0.291 -4.493 1.00 0.00 C ATOM 921 CD1 LEU A 63 4.139 -0.083 -4.899 1.00 0.00 C ATOM 922 CD2 LEU A 63 6.072 -0.561 -3.328 1.00 0.00 C ATOM 0 H LEU A 63 8.272 1.018 -7.227 1.00 0.00 H new ATOM 0 HA LEU A 63 5.555 0.598 -7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.504 -0.817 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.529 0.405 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 63 5.543 1.325 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.484 -0.014 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.790 0.601 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.126 -1.103 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.378 -0.482 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.144 -1.602 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.055 -0.207 -3.018 1.00 0.00 H new ATOM 934 N VAL A 64 6.219 3.347 -5.858 1.00 0.00 N ATOM 935 CA VAL A 64 5.644 4.605 -5.411 1.00 0.00 C ATOM 936 C VAL A 64 5.181 5.409 -6.627 1.00 0.00 C ATOM 937 O VAL A 64 4.016 5.796 -6.713 1.00 0.00 O ATOM 938 CB VAL A 64 6.651 5.361 -4.542 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.071 6.695 -4.066 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.103 4.506 -3.356 1.00 0.00 C ATOM 0 H VAL A 64 7.220 3.251 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 64 4.768 4.425 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 64 7.527 5.575 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.807 7.213 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.822 7.312 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.171 6.512 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.818 5.067 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.239 4.247 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.574 3.594 -3.723 1.00 0.00 H new ATOM 950 N GLU A 65 6.117 5.638 -7.537 1.00 0.00 N ATOM 951 CA GLU A 65 5.819 6.390 -8.744 1.00 0.00 C ATOM 952 C GLU A 65 4.573 5.824 -9.428 1.00 0.00 C ATOM 953 O GLU A 65 3.745 6.577 -9.939 1.00 0.00 O ATOM 954 CB GLU A 65 7.015 6.391 -9.698 1.00 0.00 C ATOM 955 CG GLU A 65 8.077 7.396 -9.244 1.00 0.00 C ATOM 956 CD GLU A 65 8.018 8.673 -10.085 1.00 0.00 C ATOM 957 OE1 GLU A 65 8.557 8.635 -11.212 1.00 0.00 O ATOM 958 OE2 GLU A 65 7.435 9.657 -9.581 1.00 0.00 O ATOM 0 H GLU A 65 7.082 5.316 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 65 5.618 7.424 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.450 5.392 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.681 6.639 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.925 7.641 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.067 6.947 -9.327 1.00 0.00 H new ATOM 965 N GLU A 66 4.478 4.502 -9.415 1.00 0.00 N ATOM 966 CA GLU A 66 3.347 3.827 -10.028 1.00 0.00 C ATOM 967 C GLU A 66 2.054 4.185 -9.293 1.00 0.00 C ATOM 968 O GLU A 66 1.101 4.664 -9.905 1.00 0.00 O ATOM 969 CB GLU A 66 3.562 2.312 -10.055 1.00 0.00 C ATOM 970 CG GLU A 66 4.641 1.929 -11.070 1.00 0.00 C ATOM 971 CD GLU A 66 4.060 1.053 -12.182 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.076 0.341 -11.888 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.614 1.116 -13.301 1.00 0.00 O ATOM 0 H GLU A 66 5.166 3.881 -8.990 1.00 0.00 H new ATOM 0 HA GLU A 66 3.261 4.167 -11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.851 1.964 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.627 1.813 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.076 2.830 -11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.447 1.396 -10.566 1.00 0.00 H new ATOM 980 N VAL A 67 2.063 3.937 -7.991 1.00 0.00 N ATOM 981 CA VAL A 67 0.902 4.227 -7.167 1.00 0.00 C ATOM 982 C VAL A 67 0.558 5.714 -7.283 1.00 0.00 C ATOM 983 O VAL A 67 -0.568 6.118 -6.996 1.00 0.00 O ATOM 984 CB VAL A 67 1.160 3.784 -5.725 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.073 4.018 -4.851 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.600 2.320 -5.673 1.00 0.00 C ATOM 0 H VAL A 67 2.855 3.539 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 67 0.036 3.665 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 67 1.972 4.392 -5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.137 3.695 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.323 5.079 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.913 3.447 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.777 2.030 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.819 1.690 -6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.518 2.196 -6.247 1.00 0.00 H new ATOM 996 N LYS A 68 1.548 6.487 -7.704 1.00 0.00 N ATOM 997 CA LYS A 68 1.364 7.919 -7.861 1.00 0.00 C ATOM 998 C LYS A 68 0.358 8.180 -8.984 1.00 0.00 C ATOM 999 O LYS A 68 -0.504 9.048 -8.860 1.00 0.00 O ATOM 1000 CB LYS A 68 2.712 8.613 -8.070 1.00 0.00 C ATOM 1001 CG LYS A 68 3.058 9.510 -6.880 1.00 0.00 C ATOM 1002 CD LYS A 68 4.375 9.077 -6.232 1.00 0.00 C ATOM 1003 CE LYS A 68 5.060 10.258 -5.542 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.199 9.789 -4.721 1.00 0.00 N ATOM 0 H LYS A 68 2.480 6.148 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 68 0.946 8.351 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.493 7.865 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.681 9.209 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.135 10.546 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.255 9.469 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.185 8.287 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.038 8.660 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.411 10.970 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.343 10.785 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.819 10.593 -4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.842 9.370 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.737 9.074 -5.250 1.00 0.00 H new ATOM 1018 N GLU A 69 0.502 7.412 -10.054 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.384 7.549 -11.197 1.00 0.00 C ATOM 1020 C GLU A 69 -1.766 6.980 -10.869 1.00 0.00 C ATOM 1021 O GLU A 69 -2.743 7.280 -11.554 1.00 0.00 O ATOM 1022 CB GLU A 69 0.208 6.870 -12.434 1.00 0.00 C ATOM 1023 CG GLU A 69 1.649 7.327 -12.673 1.00 0.00 C ATOM 1024 CD GLU A 69 1.752 8.171 -13.946 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.128 7.763 -14.949 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.452 9.204 -13.886 1.00 0.00 O ATOM 0 H GLU A 69 1.219 6.693 -10.153 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.493 8.610 -11.422 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.182 5.788 -12.307 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.401 7.103 -13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.997 7.907 -11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.301 6.458 -12.755 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.804 6.170 -9.822 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.050 5.557 -9.395 1.00 0.00 C ATOM 1035 C LEU A 70 -3.964 6.630 -8.799 1.00 0.00 C ATOM 1036 O LEU A 70 -5.137 6.720 -9.156 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.775 4.387 -8.447 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.492 3.038 -9.111 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.350 1.931 -8.065 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.559 2.706 -10.156 1.00 0.00 C ATOM 0 H LEU A 70 -0.992 5.924 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.575 5.129 -10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.923 4.647 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.634 4.271 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.539 3.109 -9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.149 0.983 -8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.526 2.169 -7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.274 1.851 -7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.334 1.742 -10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.537 2.661 -9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.568 3.478 -10.925 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.390 7.416 -7.900 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.138 8.480 -7.251 1.00 0.00 C ATOM 1054 C CYS A 71 -3.721 9.812 -7.878 1.00 0.00 C ATOM 1055 O CYS A 71 -4.140 10.875 -7.422 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.931 8.473 -5.735 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.454 9.038 -4.893 1.00 0.00 S ATOM 0 H CYS A 71 -2.417 7.338 -7.606 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.206 8.325 -7.407 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.671 7.469 -5.400 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.097 9.123 -5.471 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.853 10.157 -5.422 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.901 9.711 -8.913 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.423 10.895 -9.607 1.00 0.00 C ATOM 1065 C ASP A 72 -1.633 11.769 -8.631 1.00 0.00 C ATOM 1066 O ASP A 72 -2.198 12.650 -7.985 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.589 11.725 -10.148 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.190 13.044 -10.813 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -1.974 13.331 -10.820 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.111 13.736 -11.298 1.00 0.00 O ATOM 0 H ASP A 72 -2.555 8.828 -9.288 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.797 10.569 -10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.139 11.123 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.273 11.942 -9.327 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.339 11.495 -8.555 1.00 0.00 N ATOM 1076 CA GLY A 73 0.534 12.245 -7.668 1.00 0.00 C ATOM 1077 C GLY A 73 0.249 11.907 -6.203 1.00 0.00 C ATOM 1078 O GLY A 73 0.277 12.786 -5.343 1.00 0.00 O ATOM 0 H GLY A 73 0.126 10.764 -9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.575 12.020 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.394 13.313 -7.832 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.017 10.631 -5.965 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.306 10.166 -4.619 1.00 0.00 C ATOM 1084 C LEU A 74 0.779 10.670 -3.666 1.00 0.00 C ATOM 1085 O LEU A 74 1.967 10.597 -3.977 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.481 8.646 -4.603 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.664 8.006 -3.226 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.920 8.542 -2.535 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.673 6.479 -3.327 1.00 0.00 C ATOM 0 H LEU A 74 -0.038 9.905 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.253 10.576 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.346 8.393 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.390 8.195 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 74 0.188 8.282 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.027 8.071 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.834 9.621 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.795 8.316 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.804 6.049 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.493 6.162 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.272 6.137 -3.748 1.00 0.00 H new ATOM 1101 N GLU A 75 0.332 11.171 -2.523 1.00 0.00 N ATOM 1102 CA GLU A 75 1.250 11.687 -1.522 1.00 0.00 C ATOM 1103 C GLU A 75 2.043 10.542 -0.888 1.00 0.00 C ATOM 1104 O GLU A 75 1.940 10.303 0.314 1.00 0.00 O ATOM 1105 CB GLU A 75 0.504 12.493 -0.458 1.00 0.00 C ATOM 1106 CG GLU A 75 0.261 13.929 -0.928 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.657 14.675 0.043 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -0.110 15.274 0.994 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -1.884 14.630 -0.189 1.00 0.00 O ATOM 0 H GLU A 75 -0.654 11.230 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 75 1.952 12.360 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.449 12.013 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.080 12.502 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.212 14.454 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.186 13.920 -1.922 1.00 0.00 H new ATOM 1116 N LEU A 76 2.814 9.864 -1.725 1.00 0.00 N ATOM 1117 CA LEU A 76 3.623 8.749 -1.261 1.00 0.00 C ATOM 1118 C LEU A 76 5.104 9.117 -1.375 1.00 0.00 C ATOM 1119 O LEU A 76 5.485 9.915 -2.231 1.00 0.00 O ATOM 1120 CB LEU A 76 3.249 7.468 -2.007 1.00 0.00 C ATOM 1121 CG LEU A 76 3.683 6.157 -1.349 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.719 5.759 -0.230 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.842 5.047 -2.391 1.00 0.00 C ATOM 0 H LEU A 76 2.896 10.065 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 76 3.424 8.547 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.166 7.447 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.685 7.512 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 76 4.660 6.312 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.051 4.824 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.700 6.541 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.718 5.628 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.151 4.126 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.891 4.885 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.597 5.338 -3.121 1.00 0.00 H new ATOM 1135 N GLU A 77 5.899 8.519 -0.501 1.00 0.00 N ATOM 1136 CA GLU A 77 7.330 8.773 -0.493 1.00 0.00 C ATOM 1137 C GLU A 77 8.099 7.470 -0.267 1.00 0.00 C ATOM 1138 O GLU A 77 7.556 6.510 0.277 1.00 0.00 O ATOM 1139 CB GLU A 77 7.695 9.816 0.565 1.00 0.00 C ATOM 1140 CG GLU A 77 6.628 9.884 1.660 1.00 0.00 C ATOM 1141 CD GLU A 77 6.924 11.017 2.645 1.00 0.00 C ATOM 1142 OE1 GLU A 77 8.066 11.045 3.151 1.00 0.00 O ATOM 1143 OE2 GLU A 77 6.001 11.830 2.868 1.00 0.00 O ATOM 0 H GLU A 77 5.580 7.859 0.208 1.00 0.00 H new ATOM 0 HA GLU A 77 7.614 9.175 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.660 9.568 1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.802 10.794 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.648 10.037 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.589 8.934 2.194 1.00 0.00 H new ATOM 1150 N ASN A 78 9.353 7.479 -0.697 1.00 0.00 N ATOM 1151 CA ASN A 78 10.203 6.310 -0.550 1.00 0.00 C ATOM 1152 C ASN A 78 10.127 5.809 0.894 1.00 0.00 C ATOM 1153 O ASN A 78 10.213 4.607 1.143 1.00 0.00 O ATOM 1154 CB ASN A 78 11.663 6.648 -0.856 1.00 0.00 C ATOM 1155 CG ASN A 78 11.797 7.304 -2.232 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.360 6.779 -3.243 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.423 8.477 -2.214 1.00 0.00 N ATOM 0 H ASN A 78 9.800 8.278 -1.147 1.00 0.00 H new ATOM 0 HA ASN A 78 9.855 5.550 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.053 7.318 -0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.265 5.740 -0.822 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.562 8.994 -3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.764 8.860 -1.332 1.00 0.00 H new ATOM 1164 N GLU A 79 9.965 6.755 1.807 1.00 0.00 N ATOM 1165 CA GLU A 79 9.877 6.424 3.220 1.00 0.00 C ATOM 1166 C GLU A 79 8.694 5.486 3.472 1.00 0.00 C ATOM 1167 O GLU A 79 8.828 4.491 4.182 1.00 0.00 O ATOM 1168 CB GLU A 79 9.765 7.689 4.073 1.00 0.00 C ATOM 1169 CG GLU A 79 11.072 7.966 4.817 1.00 0.00 C ATOM 1170 CD GLU A 79 10.800 8.470 6.236 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.327 7.647 7.050 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.070 9.667 6.475 1.00 0.00 O ATOM 0 H GLU A 79 9.892 7.750 1.597 1.00 0.00 H new ATOM 0 HA GLU A 79 10.793 5.909 3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.517 8.539 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.951 7.578 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.670 7.056 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.656 8.706 4.270 1.00 0.00 H new ATOM 1179 N ASP A 80 7.564 5.838 2.877 1.00 0.00 N ATOM 1180 CA ASP A 80 6.359 5.040 3.028 1.00 0.00 C ATOM 1181 C ASP A 80 6.682 3.574 2.729 1.00 0.00 C ATOM 1182 O ASP A 80 6.224 2.677 3.435 1.00 0.00 O ATOM 1183 CB ASP A 80 5.272 5.493 2.051 1.00 0.00 C ATOM 1184 CG ASP A 80 4.629 6.842 2.380 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.228 7.009 3.551 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.553 7.675 1.451 1.00 0.00 O ATOM 0 H ASP A 80 7.457 6.665 2.289 1.00 0.00 H new ATOM 0 HA ASP A 80 6.000 5.163 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.703 5.547 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.491 4.733 2.021 1.00 0.00 H new ATOM 1191 N VAL A 81 7.469 3.377 1.682 1.00 0.00 N ATOM 1192 CA VAL A 81 7.859 2.036 1.281 1.00 0.00 C ATOM 1193 C VAL A 81 8.726 1.412 2.377 1.00 0.00 C ATOM 1194 O VAL A 81 8.522 0.260 2.755 1.00 0.00 O ATOM 1195 CB VAL A 81 8.556 2.078 -0.081 1.00 0.00 C ATOM 1196 CG1 VAL A 81 9.037 0.686 -0.494 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.639 2.681 -1.147 1.00 0.00 C ATOM 0 H VAL A 81 7.847 4.124 1.099 1.00 0.00 H new ATOM 0 HA VAL A 81 6.980 1.403 1.162 1.00 0.00 H new ATOM 0 HB VAL A 81 9.432 2.721 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.529 0.744 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.742 0.310 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.184 0.011 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.158 2.699 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.736 2.076 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.368 3.698 -0.861 1.00 0.00 H new ATOM 1207 N TYR A 82 9.676 2.202 2.856 1.00 0.00 N ATOM 1208 CA TYR A 82 10.575 1.742 3.901 1.00 0.00 C ATOM 1209 C TYR A 82 9.806 1.422 5.185 1.00 0.00 C ATOM 1210 O TYR A 82 10.302 0.697 6.046 1.00 0.00 O ATOM 1211 CB TYR A 82 11.536 2.901 4.172 1.00 0.00 C ATOM 1212 CG TYR A 82 12.426 3.262 2.981 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.365 2.515 1.822 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.291 4.335 3.066 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.203 2.855 0.702 1.00 0.00 C ATOM 1216 CE2 TYR A 82 14.129 4.674 1.946 1.00 0.00 C ATOM 1217 CZ TYR A 82 14.044 3.918 0.819 1.00 0.00 C ATOM 1218 OH TYR A 82 14.835 4.239 -0.240 1.00 0.00 O ATOM 0 H TYR A 82 9.843 3.157 2.540 1.00 0.00 H new ATOM 0 HA TYR A 82 11.092 0.834 3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.958 3.779 4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.169 2.644 5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.689 1.676 1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 82 13.339 4.920 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.165 2.279 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.810 5.510 2.000 1.00 0.00 H new ATOM 0 HH TYR A 82 15.383 5.020 -0.014 1.00 0.00 H new ATOM 1228 N MET A 83 8.607 1.979 5.272 1.00 0.00 N ATOM 1229 CA MET A 83 7.764 1.763 6.436 1.00 0.00 C ATOM 1230 C MET A 83 6.879 0.529 6.250 1.00 0.00 C ATOM 1231 O MET A 83 6.740 -0.283 7.163 1.00 0.00 O ATOM 1232 CB MET A 83 6.884 2.993 6.666 1.00 0.00 C ATOM 1233 CG MET A 83 5.873 2.743 7.786 1.00 0.00 C ATOM 1234 SD MET A 83 6.722 2.240 9.273 1.00 0.00 S ATOM 1235 CE MET A 83 6.565 3.733 10.239 1.00 0.00 C ATOM 0 H MET A 83 8.199 2.580 4.555 1.00 0.00 H new ATOM 0 HA MET A 83 8.407 1.599 7.301 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.509 3.849 6.920 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.357 3.245 5.746 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.296 3.648 7.975 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.165 1.972 7.483 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.045 3.592 11.207 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.044 4.559 9.713 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.510 3.961 10.387 1.00 0.00 H new ATOM 1245 N ALA A 84 6.302 0.428 5.062 1.00 0.00 N ATOM 1246 CA ALA A 84 5.434 -0.694 4.744 1.00 0.00 C ATOM 1247 C ALA A 84 6.025 -1.474 3.568 1.00 0.00 C ATOM 1248 O ALA A 84 5.747 -1.164 2.411 1.00 0.00 O ATOM 1249 CB ALA A 84 4.023 -0.180 4.452 1.00 0.00 C ATOM 0 H ALA A 84 6.418 1.105 4.308 1.00 0.00 H new ATOM 0 HA ALA A 84 5.364 -1.377 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.372 -1.021 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.637 0.341 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.054 0.507 3.606 1.00 0.00 H new ATOM 1255 N SER A 85 6.830 -2.471 3.906 1.00 0.00 N ATOM 1256 CA SER A 85 7.463 -3.298 2.892 1.00 0.00 C ATOM 1257 C SER A 85 6.460 -4.317 2.348 1.00 0.00 C ATOM 1258 O SER A 85 6.531 -4.701 1.182 1.00 0.00 O ATOM 1259 CB SER A 85 8.694 -4.011 3.454 1.00 0.00 C ATOM 1260 OG SER A 85 8.352 -4.940 4.479 1.00 0.00 O ATOM 0 H SER A 85 7.058 -2.725 4.867 1.00 0.00 H new ATOM 0 HA SER A 85 7.792 -2.652 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.209 -4.534 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.390 -3.273 3.852 1.00 0.00 H new ATOM 0 HG SER A 85 9.070 -5.600 4.575 1.00 0.00 H new ATOM 1266 N THR A 86 5.550 -4.727 3.219 1.00 0.00 N ATOM 1267 CA THR A 86 4.534 -5.695 2.841 1.00 0.00 C ATOM 1268 C THR A 86 3.315 -4.984 2.250 1.00 0.00 C ATOM 1269 O THR A 86 2.942 -3.903 2.703 1.00 0.00 O ATOM 1270 CB THR A 86 4.207 -6.542 4.071 1.00 0.00 C ATOM 1271 OG1 THR A 86 3.890 -5.585 5.078 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.433 -7.272 4.623 1.00 0.00 C ATOM 0 H THR A 86 5.495 -4.407 4.186 1.00 0.00 H new ATOM 0 HA THR A 86 4.894 -6.361 2.057 1.00 0.00 H new ATOM 0 HB THR A 86 3.437 -7.269 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.664 -6.049 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.145 -7.858 5.495 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.837 -7.935 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.192 -6.544 4.910 1.00 0.00 H new ATOM 1280 N PHE A 87 2.727 -5.621 1.247 1.00 0.00 N ATOM 1281 CA PHE A 87 1.557 -5.064 0.590 1.00 0.00 C ATOM 1282 C PHE A 87 0.448 -4.769 1.602 1.00 0.00 C ATOM 1283 O PHE A 87 -0.093 -3.665 1.631 1.00 0.00 O ATOM 1284 CB PHE A 87 1.059 -6.115 -0.403 1.00 0.00 C ATOM 1285 CG PHE A 87 -0.081 -5.631 -1.302 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.196 -4.924 -2.431 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.371 -5.908 -0.973 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.861 -4.475 -3.265 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.429 -5.459 -1.807 1.00 0.00 C ATOM 1290 CZ PHE A 87 -2.152 -4.752 -2.935 1.00 0.00 C ATOM 0 H PHE A 87 3.039 -6.517 0.874 1.00 0.00 H new ATOM 0 HA PHE A 87 1.818 -4.129 0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.893 -6.432 -1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.724 -6.993 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.221 -4.704 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.591 -6.470 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.641 -3.914 -4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.453 -5.679 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.957 -4.410 -3.569 1.00 0.00 H new ATOM 1300 N GLY A 88 0.143 -5.776 2.407 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.892 -5.639 3.418 1.00 0.00 C ATOM 1302 C GLY A 88 -0.716 -4.342 4.210 1.00 0.00 C ATOM 1303 O GLY A 88 -1.623 -3.512 4.259 1.00 0.00 O ATOM 0 H GLY A 88 0.594 -6.690 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.873 -5.649 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.858 -6.491 4.097 1.00 0.00 H new ATOM 1307 N ASP A 89 0.457 -4.208 4.812 1.00 0.00 N ATOM 1308 CA ASP A 89 0.763 -3.027 5.600 1.00 0.00 C ATOM 1309 C ASP A 89 0.703 -1.790 4.701 1.00 0.00 C ATOM 1310 O ASP A 89 0.105 -0.780 5.070 1.00 0.00 O ATOM 1311 CB ASP A 89 2.171 -3.111 6.194 1.00 0.00 C ATOM 1312 CG ASP A 89 2.355 -2.382 7.527 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.408 -2.440 8.341 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.437 -1.782 7.700 1.00 0.00 O ATOM 0 H ASP A 89 1.207 -4.898 4.770 1.00 0.00 H new ATOM 0 HA ASP A 89 0.034 -2.962 6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.428 -4.161 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.878 -2.702 5.473 1.00 0.00 H new ATOM 1319 N PHE A 90 1.329 -1.910 3.540 1.00 0.00 N ATOM 1320 CA PHE A 90 1.354 -0.815 2.586 1.00 0.00 C ATOM 1321 C PHE A 90 -0.064 -0.350 2.248 1.00 0.00 C ATOM 1322 O PHE A 90 -0.394 0.823 2.418 1.00 0.00 O ATOM 1323 CB PHE A 90 2.021 -1.343 1.315 1.00 0.00 C ATOM 1324 CG PHE A 90 2.215 -0.285 0.228 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.324 0.502 0.234 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.278 -0.130 -0.746 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.504 1.485 -0.775 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.458 0.852 -1.755 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.567 1.639 -1.748 1.00 0.00 C ATOM 0 H PHE A 90 1.823 -2.750 3.238 1.00 0.00 H new ATOM 0 HA PHE A 90 1.895 0.032 3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.992 -1.764 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.418 -2.157 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.068 0.379 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.397 -0.754 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.385 2.110 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.714 0.974 -2.528 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.703 2.386 -2.515 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.865 -1.294 1.775 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.240 -0.996 1.411 1.00 0.00 C ATOM 1341 C ILE A 91 -2.846 -0.054 2.454 1.00 0.00 C ATOM 1342 O ILE A 91 -3.362 1.008 2.111 1.00 0.00 O ATOM 1343 CB ILE A 91 -3.034 -2.288 1.214 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.592 -3.015 -0.058 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.539 -2.014 1.224 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.815 -2.141 -1.294 1.00 0.00 C ATOM 0 H ILE A 91 -0.588 -2.266 1.635 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.277 -0.478 0.453 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.822 -2.950 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.538 -3.281 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.149 -3.946 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.080 -2.949 1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.822 -1.573 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.789 -1.324 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.493 -2.681 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.874 -1.897 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.237 -1.222 -1.198 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.763 -0.478 3.707 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.297 0.314 4.802 1.00 0.00 C ATOM 1360 C GLN A 92 -2.790 1.755 4.711 1.00 0.00 C ATOM 1361 O GLN A 92 -3.580 2.697 4.730 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.941 -0.309 6.153 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.705 -1.616 6.373 1.00 0.00 C ATOM 1364 CD GLN A 92 -5.204 -1.354 6.531 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.635 -0.292 6.948 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.973 -2.380 6.175 1.00 0.00 N ATOM 0 H GLN A 92 -2.334 -1.360 3.988 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.384 0.326 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.869 -0.499 6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.175 0.392 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.536 -2.287 5.530 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.324 -2.119 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.548 -3.242 5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.988 -2.305 6.244 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.474 1.880 4.615 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.853 3.190 4.521 1.00 0.00 C ATOM 1377 C LEU A 93 -1.361 3.903 3.267 1.00 0.00 C ATOM 1378 O LEU A 93 -1.756 5.067 3.327 1.00 0.00 O ATOM 1379 CB LEU A 93 0.671 3.066 4.583 1.00 0.00 C ATOM 1380 CG LEU A 93 1.460 4.043 3.708 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.709 4.544 4.435 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.797 3.416 2.354 1.00 0.00 C ATOM 0 H LEU A 93 -0.822 1.096 4.600 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.135 3.807 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.985 3.201 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.945 2.050 4.297 1.00 0.00 H new ATOM 0 HG LEU A 93 0.831 4.912 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.251 5.236 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.416 5.055 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.351 3.698 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.358 4.131 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.399 2.520 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.875 3.150 1.837 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.336 3.175 2.160 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.789 3.724 0.893 1.00 0.00 C ATOM 1396 C LEU A 94 -3.227 4.224 1.045 1.00 0.00 C ATOM 1397 O LEU A 94 -3.494 5.414 0.886 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.610 2.699 -0.229 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.512 2.879 -1.452 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -1.935 3.924 -2.409 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.764 1.541 -2.149 1.00 0.00 C ATOM 0 H LEU A 94 -1.009 2.210 2.114 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.180 4.583 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.572 2.730 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.784 1.705 0.183 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.478 3.252 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.595 4.033 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.849 4.881 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.949 3.604 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.408 1.697 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.815 1.116 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.250 0.855 -1.455 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.116 3.290 1.351 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.520 3.622 1.526 1.00 0.00 C ATOM 1415 C VAL A 95 -5.637 4.924 2.320 1.00 0.00 C ATOM 1416 O VAL A 95 -6.357 5.837 1.920 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.256 2.453 2.182 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.692 2.840 2.541 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.230 1.214 1.284 1.00 0.00 C ATOM 0 H VAL A 95 -3.891 2.304 1.482 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.997 3.787 0.560 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.735 2.207 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.192 1.991 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.680 3.679 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.229 3.127 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.760 0.398 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.714 1.443 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.197 0.918 1.102 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.917 4.968 3.432 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.931 6.143 4.286 1.00 0.00 C ATOM 1431 C ARG A 96 -4.645 7.401 3.464 1.00 0.00 C ATOM 1432 O ARG A 96 -5.351 8.401 3.585 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.891 6.025 5.403 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.545 5.597 6.718 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.513 5.522 7.845 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.175 5.141 9.113 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.939 5.968 9.839 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -5.144 7.227 9.427 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -5.500 5.536 10.977 1.00 0.00 N ATOM 0 H ARG A 96 -4.320 4.209 3.761 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.922 6.215 4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.128 5.300 5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.387 6.982 5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.330 6.305 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.022 4.625 6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.741 4.794 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.017 6.486 7.960 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.041 4.190 9.455 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.718 7.556 8.560 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.726 7.856 9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.345 4.578 11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.082 6.166 11.530 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.607 7.311 2.644 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.219 8.429 1.802 1.00 0.00 C ATOM 1455 C LYS A 97 -4.329 8.705 0.785 1.00 0.00 C ATOM 1456 O LYS A 97 -4.457 9.824 0.289 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.852 8.171 1.165 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.756 8.095 2.230 1.00 0.00 C ATOM 1459 CD LYS A 97 0.240 6.979 1.913 1.00 0.00 C ATOM 1460 CE LYS A 97 1.510 7.123 2.753 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.168 7.400 4.166 1.00 0.00 N ATOM 0 H LYS A 97 -3.023 6.480 2.546 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.101 9.333 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.880 7.239 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.621 8.967 0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.232 9.049 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.205 7.919 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.220 6.010 2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.495 7.005 0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.102 6.210 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.126 7.930 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.996 7.212 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.886 8.396 4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.381 6.787 4.459 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.103 7.668 0.506 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.198 7.785 -0.442 1.00 0.00 C ATOM 1477 C LEU A 98 -7.389 8.461 0.241 1.00 0.00 C ATOM 1478 O LEU A 98 -7.930 9.439 -0.273 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.531 6.420 -1.048 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.368 5.680 -1.714 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.865 4.448 -2.473 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.563 6.621 -2.613 1.00 0.00 C ATOM 0 H LEU A 98 -4.994 6.742 0.920 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.909 8.419 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.937 5.784 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.320 6.556 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.695 5.327 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.019 3.941 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.360 3.768 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.571 4.756 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.743 6.071 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.212 7.025 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.160 7.439 -2.016 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.761 7.912 1.388 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.878 8.450 2.146 1.00 0.00 C ATOM 1496 C ARG A 99 -8.817 9.979 2.168 1.00 0.00 C ATOM 1497 O ARG A 99 -9.788 10.647 1.815 1.00 0.00 O ATOM 1498 CB ARG A 99 -8.871 7.926 3.584 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.842 6.754 3.744 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.677 5.746 2.605 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.268 4.445 2.992 1.00 0.00 N ATOM 1502 CZ ARG A 99 -11.566 4.139 2.855 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -12.416 5.038 2.341 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -12.013 2.934 3.233 1.00 0.00 N ATOM 0 H ARG A 99 -7.309 7.101 1.811 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.797 8.126 1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.864 7.608 3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.147 8.728 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.667 6.260 4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.867 7.126 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.161 6.121 1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.620 5.619 2.370 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.649 3.737 3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.076 5.956 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.404 4.805 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.366 2.250 3.625 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.000 2.701 3.129 1.00 0.00 H new