USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 542 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 31 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 37 THR OG1 : rot -36:sc= 0.0644 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.256 K(o=-0.26,f=0.33) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 58:sc= 1.23 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.56! C(o=-2.6!,f=-4.4!) USER MOD Single : A 68 SER OG : rot -5:sc= 0.718 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 0.168 (180deg=0.0794) USER MOD Single : A 73 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.0073) USER MOD Single : A 74 TYR OH : rot -30:sc= -0.206 USER MOD Single : A 77 CYS SG : rot 26:sc= -0.797 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 4.695 -9.938 -2.998 1.00 0.00 N ATOM 211 CA GLU A 19 5.880 -9.587 -2.224 1.00 0.00 C ATOM 212 C GLU A 19 5.555 -8.513 -1.189 1.00 0.00 C ATOM 213 O GLU A 19 5.297 -7.360 -1.536 1.00 0.00 O ATOM 214 CB GLU A 19 6.994 -9.099 -3.151 1.00 0.00 C ATOM 215 CG GLU A 19 7.954 -10.198 -3.577 1.00 0.00 C ATOM 216 CD GLU A 19 8.878 -10.631 -2.456 1.00 0.00 C ATOM 217 OE1 GLU A 19 8.419 -10.683 -1.296 1.00 0.00 O ATOM 218 OE2 GLU A 19 10.061 -10.919 -2.739 1.00 0.00 O ATOM 0 HA GLU A 19 6.219 -10.480 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.547 -8.653 -4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.556 -8.312 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.383 -11.059 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.550 -9.848 -4.420 1.00 0.00 H new ATOM 225 N VAL A 20 5.570 -8.899 0.082 1.00 0.00 N ATOM 226 CA VAL A 20 5.278 -7.969 1.167 1.00 0.00 C ATOM 227 C VAL A 20 6.501 -7.760 2.058 1.00 0.00 C ATOM 228 O VAL A 20 6.673 -8.451 3.062 1.00 0.00 O ATOM 229 CB VAL A 20 4.106 -8.466 2.034 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.687 -7.397 3.031 1.00 0.00 C ATOM 231 CG2 VAL A 20 2.933 -8.880 1.159 1.00 0.00 C ATOM 0 H VAL A 20 5.781 -9.849 0.386 1.00 0.00 H new ATOM 0 HA VAL A 20 5.002 -7.022 0.704 1.00 0.00 H new ATOM 0 HB VAL A 20 4.438 -9.340 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.858 -7.767 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.528 -7.155 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.374 -6.502 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.114 -9.228 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.599 -8.026 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.243 -9.683 0.490 1.00 0.00 H new ATOM 241 N PRO A 21 7.368 -6.798 1.700 1.00 0.00 N ATOM 242 CA PRO A 21 8.580 -6.500 2.472 1.00 0.00 C ATOM 243 C PRO A 21 8.280 -6.260 3.948 1.00 0.00 C ATOM 244 O PRO A 21 7.141 -6.399 4.392 1.00 0.00 O ATOM 245 CB PRO A 21 9.114 -5.223 1.821 1.00 0.00 C ATOM 246 CG PRO A 21 8.580 -5.255 0.430 1.00 0.00 C ATOM 247 CD PRO A 21 7.238 -5.927 0.517 1.00 0.00 C ATOM 0 HA PRO A 21 9.287 -7.329 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.775 -4.335 2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.204 -5.202 1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.486 -4.247 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.249 -5.804 -0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.433 -5.202 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.017 -6.501 -0.383 1.00 0.00 H new ATOM 255 N GLU A 22 9.312 -5.898 4.704 1.00 0.00 N ATOM 256 CA GLU A 22 9.160 -5.639 6.131 1.00 0.00 C ATOM 257 C GLU A 22 8.767 -4.186 6.381 1.00 0.00 C ATOM 258 O GLU A 22 8.014 -3.887 7.307 1.00 0.00 O ATOM 259 CB GLU A 22 10.458 -5.964 6.872 1.00 0.00 C ATOM 260 CG GLU A 22 10.366 -5.766 8.376 1.00 0.00 C ATOM 261 CD GLU A 22 11.570 -5.040 8.944 1.00 0.00 C ATOM 262 OE1 GLU A 22 12.154 -4.204 8.223 1.00 0.00 O ATOM 263 OE2 GLU A 22 11.929 -5.309 10.110 1.00 0.00 O ATOM 0 H GLU A 22 10.262 -5.778 4.352 1.00 0.00 H new ATOM 0 HA GLU A 22 8.365 -6.282 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.735 -6.998 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.258 -5.336 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.463 -5.202 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.270 -6.737 8.861 1.00 0.00 H new ATOM 270 N TRP A 23 9.285 -3.288 5.550 1.00 0.00 N ATOM 271 CA TRP A 23 8.988 -1.865 5.681 1.00 0.00 C ATOM 272 C TRP A 23 7.502 -1.597 5.463 1.00 0.00 C ATOM 273 O TRP A 23 6.933 -0.683 6.059 1.00 0.00 O ATOM 274 CB TRP A 23 9.816 -1.056 4.681 1.00 0.00 C ATOM 275 CG TRP A 23 9.675 -1.535 3.268 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.518 -2.377 2.600 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.630 -1.199 2.348 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.060 -2.585 1.322 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.903 -1.872 1.143 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.491 -0.394 2.427 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.077 -1.767 0.027 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.672 -0.289 1.318 1.00 0.00 C ATOM 283 CH2 TRP A 23 6.968 -0.972 0.132 1.00 0.00 C ATOM 0 H TRP A 23 9.912 -3.519 4.779 1.00 0.00 H new ATOM 0 HA TRP A 23 9.250 -1.556 6.693 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.516 -0.010 4.734 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.866 -1.101 4.969 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.413 -2.815 3.016 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.508 -3.174 0.620 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.255 0.137 3.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.303 -2.294 -0.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.789 0.330 1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.308 -0.869 -0.717 1.00 0.00 H new ATOM 294 N LEU A 24 6.882 -2.399 4.606 1.00 0.00 N ATOM 295 CA LEU A 24 5.461 -2.248 4.308 1.00 0.00 C ATOM 296 C LEU A 24 4.608 -2.669 5.501 1.00 0.00 C ATOM 297 O LEU A 24 4.533 -3.851 5.838 1.00 0.00 O ATOM 298 CB LEU A 24 5.085 -3.078 3.079 1.00 0.00 C ATOM 299 CG LEU A 24 3.663 -2.860 2.561 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.583 -1.578 1.746 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.211 -4.052 1.731 1.00 0.00 C ATOM 0 H LEU A 24 7.340 -3.160 4.105 1.00 0.00 H new ATOM 0 HA LEU A 24 5.268 -1.196 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.787 -2.850 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.210 -4.134 3.320 1.00 0.00 H new ATOM 0 HG LEU A 24 2.994 -2.764 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.564 -1.439 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.865 -0.731 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.263 -1.644 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.197 -3.880 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.882 -4.179 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.230 -4.952 2.346 1.00 0.00 H new ATOM 313 N ARG A 25 3.968 -1.693 6.137 1.00 0.00 N ATOM 314 CA ARG A 25 3.120 -1.963 7.292 1.00 0.00 C ATOM 315 C ARG A 25 2.230 -0.765 7.605 1.00 0.00 C ATOM 316 O ARG A 25 2.447 0.333 7.093 1.00 0.00 O ATOM 317 CB ARG A 25 3.978 -2.306 8.511 1.00 0.00 C ATOM 318 CG ARG A 25 5.067 -1.285 8.795 1.00 0.00 C ATOM 319 CD ARG A 25 5.524 -1.347 10.244 1.00 0.00 C ATOM 320 NE ARG A 25 6.821 -0.705 10.436 1.00 0.00 N ATOM 321 CZ ARG A 25 7.432 -0.606 11.616 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.866 -1.105 12.708 1.00 0.00 N ATOM 323 NH2 ARG A 25 8.611 -0.007 11.703 1.00 0.00 N ATOM 0 H ARG A 25 4.020 -0.709 5.872 1.00 0.00 H new ATOM 0 HA ARG A 25 2.483 -2.814 7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.334 -2.391 9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.438 -3.282 8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.917 -1.465 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.697 -0.285 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.782 -0.863 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.584 -2.388 10.561 1.00 0.00 H new ATOM 0 HE ARG A 25 7.287 -0.309 9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.959 -1.567 12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.338 -1.026 13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.050 0.378 10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.079 0.069 12.606 1.00 0.00 H new ATOM 337 N GLU A 26 1.227 -0.984 8.450 1.00 0.00 N ATOM 338 CA GLU A 26 0.304 0.079 8.832 1.00 0.00 C ATOM 339 C GLU A 26 1.050 1.242 9.475 1.00 0.00 C ATOM 340 O GLU A 26 2.112 1.058 10.071 1.00 0.00 O ATOM 341 CB GLU A 26 -0.755 -0.460 9.797 1.00 0.00 C ATOM 342 CG GLU A 26 -1.845 -1.269 9.114 1.00 0.00 C ATOM 343 CD GLU A 26 -2.581 -2.183 10.074 1.00 0.00 C ATOM 344 OE1 GLU A 26 -1.991 -3.199 10.497 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.748 -1.882 10.404 1.00 0.00 O ATOM 0 H GLU A 26 1.033 -1.887 8.883 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.188 0.442 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.268 -1.083 10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.212 0.376 10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.558 -0.590 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.403 -1.866 8.316 1.00 0.00 H new ATOM 352 N GLY A 27 0.490 2.441 9.349 1.00 0.00 N ATOM 353 CA GLY A 27 1.119 3.616 9.922 1.00 0.00 C ATOM 354 C GLY A 27 2.473 3.908 9.307 1.00 0.00 C ATOM 355 O GLY A 27 3.332 4.522 9.942 1.00 0.00 O ATOM 0 H GLY A 27 -0.388 2.619 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.467 4.478 9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.235 3.475 10.997 1.00 0.00 H new ATOM 359 N GLU A 28 2.667 3.467 8.067 1.00 0.00 N ATOM 360 CA GLU A 28 3.927 3.685 7.366 1.00 0.00 C ATOM 361 C GLU A 28 3.691 4.374 6.027 1.00 0.00 C ATOM 362 O GLU A 28 2.728 4.072 5.323 1.00 0.00 O ATOM 363 CB GLU A 28 4.651 2.355 7.148 1.00 0.00 C ATOM 364 CG GLU A 28 6.165 2.484 7.117 1.00 0.00 C ATOM 365 CD GLU A 28 6.718 3.154 8.358 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.174 2.911 9.456 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.697 3.921 8.233 1.00 0.00 O ATOM 0 H GLU A 28 1.967 2.957 7.528 1.00 0.00 H new ATOM 0 HA GLU A 28 4.550 4.332 7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.370 1.664 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.313 1.916 6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.608 1.493 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.459 3.057 6.238 1.00 0.00 H new ATOM 374 N PHE A 29 4.577 5.302 5.680 1.00 0.00 N ATOM 375 CA PHE A 29 4.464 6.035 4.425 1.00 0.00 C ATOM 376 C PHE A 29 4.960 5.192 3.254 1.00 0.00 C ATOM 377 O PHE A 29 5.950 4.469 3.371 1.00 0.00 O ATOM 378 CB PHE A 29 5.258 7.342 4.501 1.00 0.00 C ATOM 379 CG PHE A 29 4.498 8.536 3.998 1.00 0.00 C ATOM 380 CD1 PHE A 29 4.411 8.795 2.639 1.00 0.00 C ATOM 381 CD2 PHE A 29 3.873 9.399 4.882 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.714 9.893 2.173 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.174 10.499 4.421 1.00 0.00 C ATOM 384 CZ PHE A 29 3.094 10.747 3.065 1.00 0.00 C ATOM 0 H PHE A 29 5.381 5.564 6.250 1.00 0.00 H new ATOM 0 HA PHE A 29 3.411 6.266 4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.553 7.519 5.535 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.175 7.235 3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.893 8.131 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.932 9.211 5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.654 10.084 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.691 11.164 5.121 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.549 11.606 2.703 1.00 0.00 H new ATOM 394 N VAL A 30 4.265 5.292 2.126 1.00 0.00 N ATOM 395 CA VAL A 30 4.634 4.541 0.931 1.00 0.00 C ATOM 396 C VAL A 30 4.381 5.361 -0.329 1.00 0.00 C ATOM 397 O VAL A 30 3.667 6.363 -0.297 1.00 0.00 O ATOM 398 CB VAL A 30 3.851 3.217 0.834 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.289 2.256 1.928 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.355 3.475 0.907 1.00 0.00 C ATOM 0 H VAL A 30 3.443 5.886 2.014 1.00 0.00 H new ATOM 0 HA VAL A 30 5.698 4.319 1.012 1.00 0.00 H new ATOM 0 HB VAL A 30 4.069 2.757 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.725 1.327 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.353 2.045 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.103 2.706 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.819 2.529 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.115 3.959 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.057 4.123 0.083 1.00 0.00 H new ATOM 410 N THR A 31 4.973 4.932 -1.438 1.00 0.00 N ATOM 411 CA THR A 31 4.813 5.629 -2.708 1.00 0.00 C ATOM 412 C THR A 31 4.316 4.679 -3.793 1.00 0.00 C ATOM 413 O THR A 31 4.318 3.461 -3.615 1.00 0.00 O ATOM 414 CB THR A 31 6.136 6.264 -3.137 1.00 0.00 C ATOM 415 OG1 THR A 31 5.986 6.962 -4.360 1.00 0.00 O ATOM 416 CG2 THR A 31 7.252 5.257 -3.317 1.00 0.00 C ATOM 0 H THR A 31 5.568 4.105 -1.483 1.00 0.00 H new ATOM 0 HA THR A 31 4.070 6.414 -2.570 1.00 0.00 H new ATOM 0 HB THR A 31 6.406 6.942 -2.327 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.843 7.362 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.162 5.773 -3.622 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.428 4.736 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.971 4.535 -4.084 1.00 0.00 H new ATOM 424 N VAL A 32 3.893 5.246 -4.918 1.00 0.00 N ATOM 425 CA VAL A 32 3.394 4.452 -6.035 1.00 0.00 C ATOM 426 C VAL A 32 3.842 5.039 -7.369 1.00 0.00 C ATOM 427 O VAL A 32 4.315 4.318 -8.247 1.00 0.00 O ATOM 428 CB VAL A 32 1.855 4.346 -6.019 1.00 0.00 C ATOM 429 CG1 VAL A 32 1.409 3.176 -5.154 1.00 0.00 C ATOM 430 CG2 VAL A 32 1.222 5.647 -5.538 1.00 0.00 C ATOM 0 H VAL A 32 3.886 6.253 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 32 3.814 3.453 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 32 1.517 4.167 -7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.321 3.117 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.823 2.250 -5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.764 3.322 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.137 5.545 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.567 5.868 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.509 6.460 -6.205 1.00 0.00 H new ATOM 496 N THR A 37 1.302 9.545 -3.523 1.00 0.00 N ATOM 497 CA THR A 37 1.885 9.009 -2.297 1.00 0.00 C ATOM 498 C THR A 37 0.846 8.945 -1.183 1.00 0.00 C ATOM 499 O THR A 37 0.084 9.890 -0.975 1.00 0.00 O ATOM 500 CB THR A 37 3.072 9.867 -1.856 1.00 0.00 C ATOM 501 OG1 THR A 37 2.665 11.203 -1.619 1.00 0.00 O ATOM 502 CG2 THR A 37 4.194 9.903 -2.870 1.00 0.00 C ATOM 0 HA THR A 37 2.233 7.997 -2.501 1.00 0.00 H new ATOM 0 HB THR A 37 3.443 9.399 -0.944 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.972 11.453 -2.265 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.004 10.529 -2.495 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.565 8.892 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.823 10.314 -3.809 1.00 0.00 H new ATOM 510 N GLY A 38 0.819 7.825 -0.469 1.00 0.00 N ATOM 511 CA GLY A 38 -0.131 7.659 0.615 1.00 0.00 C ATOM 512 C GLY A 38 0.392 6.751 1.711 1.00 0.00 C ATOM 513 O GLY A 38 1.310 5.963 1.488 1.00 0.00 O ATOM 0 H GLY A 38 1.438 7.029 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.368 8.635 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.060 7.248 0.220 1.00 0.00 H new ATOM 517 N VAL A 39 -0.196 6.862 2.898 1.00 0.00 N ATOM 518 CA VAL A 39 0.215 6.045 4.034 1.00 0.00 C ATOM 519 C VAL A 39 -0.576 4.742 4.088 1.00 0.00 C ATOM 520 O VAL A 39 -1.740 4.694 3.692 1.00 0.00 O ATOM 521 CB VAL A 39 0.032 6.800 5.364 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.637 6.012 6.514 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.644 8.190 5.279 1.00 0.00 C ATOM 0 H VAL A 39 -0.958 7.510 3.098 1.00 0.00 H new ATOM 0 HA VAL A 39 1.272 5.819 3.896 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.036 6.910 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.498 6.562 7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.146 5.042 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.702 5.866 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.505 8.708 6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.709 8.106 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.157 8.754 4.483 1.00 0.00 H new ATOM 533 N VAL A 40 0.065 3.687 4.582 1.00 0.00 N ATOM 534 CA VAL A 40 -0.578 2.384 4.688 1.00 0.00 C ATOM 535 C VAL A 40 -1.536 2.339 5.875 1.00 0.00 C ATOM 536 O VAL A 40 -1.143 2.604 7.012 1.00 0.00 O ATOM 537 CB VAL A 40 0.457 1.255 4.838 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.213 -0.106 4.726 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.561 1.401 3.801 1.00 0.00 C ATOM 0 H VAL A 40 1.029 3.710 4.915 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.137 2.233 3.765 1.00 0.00 H new ATOM 0 HB VAL A 40 0.907 1.331 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.536 -0.890 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.962 -0.208 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.694 -0.196 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.283 0.594 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.130 1.354 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.062 2.360 3.935 1.00 0.00 H new ATOM 549 N ARG A 41 -2.792 2.006 5.603 1.00 0.00 N ATOM 550 CA ARG A 41 -3.806 1.928 6.649 1.00 0.00 C ATOM 551 C ARG A 41 -4.226 0.483 6.895 1.00 0.00 C ATOM 552 O ARG A 41 -4.586 0.113 8.013 1.00 0.00 O ATOM 553 CB ARG A 41 -5.027 2.768 6.268 1.00 0.00 C ATOM 554 CG ARG A 41 -4.781 4.267 6.345 1.00 0.00 C ATOM 555 CD ARG A 41 -4.513 4.717 7.773 1.00 0.00 C ATOM 556 NE ARG A 41 -3.325 5.563 7.866 1.00 0.00 N ATOM 557 CZ ARG A 41 -2.668 5.796 8.999 1.00 0.00 C ATOM 558 NH1 ARG A 41 -3.078 5.249 10.137 1.00 0.00 N ATOM 559 NH2 ARG A 41 -1.597 6.578 8.996 1.00 0.00 N ATOM 0 H ARG A 41 -3.133 1.786 4.667 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.374 2.323 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.334 2.510 5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.856 2.510 6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.932 4.530 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.647 4.799 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.378 5.264 8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.386 3.842 8.411 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.979 6.001 7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.901 4.646 10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.570 5.431 11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.277 7.001 8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.093 6.757 9.865 1.00 0.00 H new ATOM 573 N TYR A 42 -4.180 -0.329 5.845 1.00 0.00 N ATOM 574 CA TYR A 42 -4.557 -1.735 5.949 1.00 0.00 C ATOM 575 C TYR A 42 -3.579 -2.620 5.185 1.00 0.00 C ATOM 576 O TYR A 42 -3.018 -2.211 4.168 1.00 0.00 O ATOM 577 CB TYR A 42 -5.975 -1.944 5.415 1.00 0.00 C ATOM 578 CG TYR A 42 -6.540 -3.315 5.714 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.300 -4.387 4.864 1.00 0.00 C ATOM 580 CD2 TYR A 42 -7.311 -3.535 6.848 1.00 0.00 C ATOM 581 CE1 TYR A 42 -6.815 -5.640 5.135 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.829 -4.786 7.127 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.578 -5.835 6.267 1.00 0.00 C ATOM 584 OH TYR A 42 -8.092 -7.082 6.540 1.00 0.00 O ATOM 0 H TYR A 42 -3.886 -0.039 4.912 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.526 -2.016 7.002 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.631 -1.188 5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.974 -1.788 4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.701 -4.239 3.977 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.509 -2.715 7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.621 -6.463 4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.427 -4.941 8.013 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.605 -7.049 7.375 1.00 0.00 H new ATOM 594 N VAL A 43 -3.380 -3.837 5.681 1.00 0.00 N ATOM 595 CA VAL A 43 -2.470 -4.782 5.046 1.00 0.00 C ATOM 596 C VAL A 43 -2.931 -6.219 5.264 1.00 0.00 C ATOM 597 O VAL A 43 -2.714 -6.797 6.330 1.00 0.00 O ATOM 598 CB VAL A 43 -1.035 -4.630 5.583 1.00 0.00 C ATOM 599 CG1 VAL A 43 -0.067 -5.477 4.772 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.613 -3.169 5.573 1.00 0.00 C ATOM 0 H VAL A 43 -3.837 -4.192 6.521 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.476 -4.557 3.979 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.014 -4.984 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.942 -5.356 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.359 -6.525 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.089 -5.158 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.404 -3.081 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.651 -2.786 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.289 -2.591 6.203 1.00 0.00 H new ATOM 610 N GLY A 44 -3.572 -6.791 4.249 1.00 0.00 N ATOM 611 CA GLY A 44 -4.053 -8.155 4.352 1.00 0.00 C ATOM 612 C GLY A 44 -4.848 -8.584 3.132 1.00 0.00 C ATOM 613 O GLY A 44 -5.113 -7.773 2.244 1.00 0.00 O ATOM 0 H GLY A 44 -3.766 -6.334 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.205 -8.827 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.677 -8.251 5.241 1.00 0.00 H new ATOM 617 N PRO A 45 -5.247 -9.866 3.059 1.00 0.00 N ATOM 618 CA PRO A 45 -6.020 -10.390 1.928 1.00 0.00 C ATOM 619 C PRO A 45 -7.457 -9.879 1.921 1.00 0.00 C ATOM 620 O PRO A 45 -7.804 -8.959 2.661 1.00 0.00 O ATOM 621 CB PRO A 45 -5.993 -11.902 2.154 1.00 0.00 C ATOM 622 CG PRO A 45 -5.826 -12.061 3.625 1.00 0.00 C ATOM 623 CD PRO A 45 -4.976 -10.903 4.074 1.00 0.00 C ATOM 0 HA PRO A 45 -5.603 -10.079 0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.914 -12.371 1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.173 -12.369 1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.792 -12.055 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.348 -13.011 3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.250 -10.568 5.074 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.919 -11.168 4.105 1.00 0.00 H new ATOM 631 N ALA A 46 -8.288 -10.483 1.077 1.00 0.00 N ATOM 632 CA ALA A 46 -9.688 -10.092 0.972 1.00 0.00 C ATOM 633 C ALA A 46 -10.590 -11.314 0.841 1.00 0.00 C ATOM 634 O ALA A 46 -10.112 -12.448 0.810 1.00 0.00 O ATOM 635 CB ALA A 46 -9.887 -9.158 -0.212 1.00 0.00 C ATOM 0 H ALA A 46 -8.015 -11.245 0.456 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.963 -9.566 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.937 -8.874 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.277 -8.265 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.589 -9.665 -1.130 1.00 0.00 H new ATOM 641 N ASP A 47 -11.895 -11.076 0.764 1.00 0.00 N ATOM 642 CA ASP A 47 -12.863 -12.161 0.636 1.00 0.00 C ATOM 643 C ASP A 47 -13.328 -12.307 -0.809 1.00 0.00 C ATOM 644 O ASP A 47 -13.649 -13.407 -1.260 1.00 0.00 O ATOM 645 CB ASP A 47 -14.065 -11.909 1.547 1.00 0.00 C ATOM 646 CG ASP A 47 -13.674 -11.818 3.009 1.00 0.00 C ATOM 647 OD1 ASP A 47 -13.268 -12.852 3.581 1.00 0.00 O ATOM 648 OD2 ASP A 47 -13.773 -10.712 3.582 1.00 0.00 O ATOM 0 H ASP A 47 -12.307 -10.143 0.788 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.375 -13.088 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.557 -10.984 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.790 -12.712 1.417 1.00 0.00 H new ATOM 653 N PHE A 48 -13.360 -11.191 -1.530 1.00 0.00 N ATOM 654 CA PHE A 48 -13.786 -11.196 -2.925 1.00 0.00 C ATOM 655 C PHE A 48 -12.642 -11.622 -3.841 1.00 0.00 C ATOM 656 O PHE A 48 -12.847 -12.362 -4.802 1.00 0.00 O ATOM 657 CB PHE A 48 -14.290 -9.809 -3.329 1.00 0.00 C ATOM 658 CG PHE A 48 -13.277 -8.719 -3.124 1.00 0.00 C ATOM 659 CD1 PHE A 48 -12.354 -8.418 -4.112 1.00 0.00 C ATOM 660 CD2 PHE A 48 -13.249 -7.996 -1.941 1.00 0.00 C ATOM 661 CE1 PHE A 48 -11.421 -7.415 -3.925 1.00 0.00 C ATOM 662 CE2 PHE A 48 -12.317 -6.992 -1.749 1.00 0.00 C ATOM 663 CZ PHE A 48 -11.402 -6.702 -2.743 1.00 0.00 C ATOM 0 H PHE A 48 -13.096 -10.273 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.598 -11.915 -3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.582 -9.829 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.185 -9.575 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.363 -8.973 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.962 -8.219 -1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.707 -7.189 -4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.305 -6.436 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.673 -5.919 -2.595 1.00 0.00 H new ATOM 673 N GLN A 49 -11.439 -11.148 -3.535 1.00 0.00 N ATOM 674 CA GLN A 49 -10.262 -11.479 -4.330 1.00 0.00 C ATOM 675 C GLN A 49 -9.246 -12.260 -3.501 1.00 0.00 C ATOM 676 O GLN A 49 -9.128 -12.055 -2.292 1.00 0.00 O ATOM 677 CB GLN A 49 -9.618 -10.206 -4.879 1.00 0.00 C ATOM 678 CG GLN A 49 -10.257 -9.706 -6.165 1.00 0.00 C ATOM 679 CD GLN A 49 -9.327 -9.810 -7.358 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.456 -8.963 -7.557 1.00 0.00 O ATOM 681 NE2 GLN A 49 -9.509 -10.852 -8.161 1.00 0.00 N ATOM 0 H GLN A 49 -11.253 -10.534 -2.742 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.582 -12.105 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.680 -9.423 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.559 -10.393 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.162 -10.280 -6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.561 -8.667 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.243 -11.530 -7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.914 -10.974 -8.981 1.00 0.00 H new ATOM 690 N GLU A 50 -8.516 -13.155 -4.158 1.00 0.00 N ATOM 691 CA GLU A 50 -7.511 -13.967 -3.482 1.00 0.00 C ATOM 692 C GLU A 50 -6.124 -13.353 -3.636 1.00 0.00 C ATOM 693 O GLU A 50 -5.692 -13.040 -4.746 1.00 0.00 O ATOM 694 CB GLU A 50 -7.515 -15.392 -4.039 1.00 0.00 C ATOM 695 CG GLU A 50 -8.896 -16.028 -4.076 1.00 0.00 C ATOM 696 CD GLU A 50 -9.446 -16.148 -5.482 1.00 0.00 C ATOM 697 OE1 GLU A 50 -9.182 -15.245 -6.303 1.00 0.00 O ATOM 698 OE2 GLU A 50 -10.141 -17.147 -5.764 1.00 0.00 O ATOM 0 H GLU A 50 -8.602 -13.336 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.760 -13.999 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.103 -15.380 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.855 -16.012 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.848 -17.018 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.581 -15.434 -3.471 1.00 0.00 H new ATOM 705 N GLY A 51 -5.430 -13.183 -2.515 1.00 0.00 N ATOM 706 CA GLY A 51 -4.098 -12.607 -2.548 1.00 0.00 C ATOM 707 C GLY A 51 -3.865 -11.621 -1.420 1.00 0.00 C ATOM 708 O GLY A 51 -4.600 -11.610 -0.434 1.00 0.00 O ATOM 0 H GLY A 51 -5.766 -13.434 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.359 -13.405 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.946 -12.104 -3.503 1.00 0.00 H new ATOM 712 N THR A 52 -2.836 -10.791 -1.566 1.00 0.00 N ATOM 713 CA THR A 52 -2.507 -9.797 -0.551 1.00 0.00 C ATOM 714 C THR A 52 -2.744 -8.384 -1.076 1.00 0.00 C ATOM 715 O THR A 52 -2.376 -8.061 -2.205 1.00 0.00 O ATOM 716 CB THR A 52 -1.051 -9.951 -0.109 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.573 -11.252 -0.403 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.846 -9.712 1.371 1.00 0.00 C ATOM 0 H THR A 52 -2.217 -10.788 -2.377 1.00 0.00 H new ATOM 0 HA THR A 52 -3.159 -9.961 0.307 1.00 0.00 H new ATOM 0 HB THR A 52 -0.499 -9.192 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.360 -11.331 -0.115 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.208 -9.837 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.160 -8.699 1.623 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.439 -10.428 1.941 1.00 0.00 H new ATOM 726 N TRP A 53 -3.362 -7.547 -0.250 1.00 0.00 N ATOM 727 CA TRP A 53 -3.649 -6.169 -0.630 1.00 0.00 C ATOM 728 C TRP A 53 -3.197 -5.199 0.456 1.00 0.00 C ATOM 729 O TRP A 53 -3.044 -5.579 1.617 1.00 0.00 O ATOM 730 CB TRP A 53 -5.145 -5.992 -0.898 1.00 0.00 C ATOM 731 CG TRP A 53 -5.676 -6.925 -1.942 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.978 -8.247 -1.785 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.966 -6.607 -3.309 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.439 -8.771 -2.968 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.441 -7.783 -3.918 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.871 -5.442 -4.075 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.819 -7.827 -5.258 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -6.246 -5.487 -5.404 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.716 -6.672 -5.984 1.00 0.00 C ATOM 0 H TRP A 53 -3.674 -7.799 0.688 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.095 -5.948 -1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.694 -6.147 0.031 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.332 -4.965 -1.211 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.870 -8.801 -0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.732 -9.737 -3.115 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.511 -4.523 -3.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.180 -8.740 -5.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.175 -4.593 -6.006 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -7.003 -6.674 -7.025 1.00 0.00 H new ATOM 750 N VAL A 54 -2.987 -3.945 0.072 1.00 0.00 N ATOM 751 CA VAL A 54 -2.553 -2.919 1.013 1.00 0.00 C ATOM 752 C VAL A 54 -3.325 -1.621 0.805 1.00 0.00 C ATOM 753 O VAL A 54 -3.236 -0.996 -0.252 1.00 0.00 O ATOM 754 CB VAL A 54 -1.046 -2.634 0.878 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.574 -1.713 1.993 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.255 -3.934 0.878 1.00 0.00 C ATOM 0 H VAL A 54 -3.110 -3.614 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.754 -3.302 2.013 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.874 -2.131 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.493 -1.523 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.118 -0.770 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.759 -2.185 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.808 -3.713 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.432 -4.467 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.574 -4.554 0.040 1.00 0.00 H new ATOM 766 N GLY A 55 -4.081 -1.219 1.822 1.00 0.00 N ATOM 767 CA GLY A 55 -4.858 0.003 1.731 1.00 0.00 C ATOM 768 C GLY A 55 -4.013 1.243 1.942 1.00 0.00 C ATOM 769 O GLY A 55 -3.424 1.428 3.008 1.00 0.00 O ATOM 0 H GLY A 55 -4.169 -1.718 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.336 0.054 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.655 -0.021 2.474 1.00 0.00 H new ATOM 773 N VAL A 56 -3.952 2.096 0.925 1.00 0.00 N ATOM 774 CA VAL A 56 -3.173 3.326 1.004 1.00 0.00 C ATOM 775 C VAL A 56 -4.081 4.542 1.152 1.00 0.00 C ATOM 776 O VAL A 56 -4.984 4.758 0.343 1.00 0.00 O ATOM 777 CB VAL A 56 -2.287 3.512 -0.243 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.339 4.687 -0.054 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.516 2.237 -0.544 1.00 0.00 C ATOM 0 H VAL A 56 -4.433 1.958 0.036 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.536 3.240 1.884 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.931 3.729 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.721 4.803 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.916 5.597 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.700 4.503 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.896 2.387 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.882 1.986 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.217 1.422 -0.727 1.00 0.00 H new ATOM 789 N GLU A 57 -3.836 5.334 2.191 1.00 0.00 N ATOM 790 CA GLU A 57 -4.632 6.530 2.444 1.00 0.00 C ATOM 791 C GLU A 57 -4.055 7.734 1.707 1.00 0.00 C ATOM 792 O GLU A 57 -2.905 8.117 1.928 1.00 0.00 O ATOM 793 CB GLU A 57 -4.694 6.817 3.946 1.00 0.00 C ATOM 794 CG GLU A 57 -5.690 7.905 4.316 1.00 0.00 C ATOM 795 CD GLU A 57 -5.065 9.016 5.137 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.594 8.732 6.259 1.00 0.00 O ATOM 797 OE2 GLU A 57 -5.047 10.169 4.658 1.00 0.00 O ATOM 0 H GLU A 57 -3.093 5.170 2.871 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.641 6.350 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.958 5.900 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.703 7.110 4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.116 8.327 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.513 7.463 4.877 1.00 0.00 H new ATOM 804 N LEU A 58 -4.859 8.325 0.830 1.00 0.00 N ATOM 805 CA LEU A 58 -4.427 9.485 0.059 1.00 0.00 C ATOM 806 C LEU A 58 -4.976 10.775 0.662 1.00 0.00 C ATOM 807 O LEU A 58 -6.043 10.780 1.277 1.00 0.00 O ATOM 808 CB LEU A 58 -4.880 9.355 -1.396 1.00 0.00 C ATOM 809 CG LEU A 58 -4.605 7.996 -2.039 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.256 7.912 -3.412 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.107 7.750 -2.143 1.00 0.00 C ATOM 0 H LEU A 58 -5.813 8.020 0.635 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.338 9.525 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.950 9.554 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.384 10.126 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.039 7.222 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.049 6.937 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.333 8.044 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.852 8.695 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.929 6.778 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.652 8.529 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.666 7.766 -1.147 1.00 0.00 H new ATOM 823 N ASP A 59 -4.239 11.866 0.480 1.00 0.00 N ATOM 824 CA ASP A 59 -4.651 13.163 1.004 1.00 0.00 C ATOM 825 C ASP A 59 -5.727 13.794 0.124 1.00 0.00 C ATOM 826 O ASP A 59 -6.503 14.633 0.583 1.00 0.00 O ATOM 827 CB ASP A 59 -3.447 14.100 1.106 1.00 0.00 C ATOM 828 CG ASP A 59 -2.494 13.701 2.216 1.00 0.00 C ATOM 829 OD1 ASP A 59 -2.917 12.947 3.118 1.00 0.00 O ATOM 830 OD2 ASP A 59 -1.326 14.141 2.184 1.00 0.00 O ATOM 0 H ASP A 59 -3.354 11.878 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.069 13.007 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.912 14.104 0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.796 15.118 1.280 1.00 0.00 H new ATOM 835 N LEU A 60 -5.769 13.387 -1.141 1.00 0.00 N ATOM 836 CA LEU A 60 -6.751 13.916 -2.081 1.00 0.00 C ATOM 837 C LEU A 60 -7.670 12.808 -2.593 1.00 0.00 C ATOM 838 O LEU A 60 -7.239 11.670 -2.778 1.00 0.00 O ATOM 839 CB LEU A 60 -6.048 14.592 -3.259 1.00 0.00 C ATOM 840 CG LEU A 60 -5.060 15.695 -2.878 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.837 15.653 -3.783 1.00 0.00 C ATOM 842 CD2 LEU A 60 -5.731 17.058 -2.950 1.00 0.00 C ATOM 0 H LEU A 60 -5.135 12.693 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.358 14.653 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.516 13.831 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.805 15.016 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.733 15.526 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.145 16.445 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.343 14.686 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.145 15.797 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.014 17.832 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.086 17.236 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.575 17.085 -2.261 1.00 0.00 H new ATOM 854 N PRO A 61 -8.954 13.129 -2.831 1.00 0.00 N ATOM 855 CA PRO A 61 -9.931 12.155 -3.326 1.00 0.00 C ATOM 856 C PRO A 61 -9.752 11.859 -4.810 1.00 0.00 C ATOM 857 O PRO A 61 -10.008 12.713 -5.659 1.00 0.00 O ATOM 858 CB PRO A 61 -11.268 12.851 -3.076 1.00 0.00 C ATOM 859 CG PRO A 61 -10.955 14.305 -3.166 1.00 0.00 C ATOM 860 CD PRO A 61 -9.554 14.464 -2.639 1.00 0.00 C ATOM 0 HA PRO A 61 -9.836 11.188 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.012 12.559 -3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.673 12.592 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.026 14.656 -4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.661 14.893 -2.579 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.006 15.232 -3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.552 14.757 -1.589 1.00 0.00 H new ATOM 868 N SER A 62 -9.311 10.644 -5.119 1.00 0.00 N ATOM 869 CA SER A 62 -9.099 10.238 -6.504 1.00 0.00 C ATOM 870 C SER A 62 -8.818 8.741 -6.598 1.00 0.00 C ATOM 871 O SER A 62 -8.000 8.302 -7.407 1.00 0.00 O ATOM 872 CB SER A 62 -7.939 11.026 -7.116 1.00 0.00 C ATOM 873 OG SER A 62 -8.392 12.239 -7.690 1.00 0.00 O ATOM 0 H SER A 62 -9.094 9.924 -4.430 1.00 0.00 H new ATOM 0 HA SER A 62 -10.010 10.453 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.195 11.239 -6.348 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.447 10.421 -7.878 1.00 0.00 H new ATOM 0 HG SER A 62 -8.845 12.775 -7.006 1.00 0.00 H new ATOM 879 N GLY A 63 -9.503 7.962 -5.768 1.00 0.00 N ATOM 880 CA GLY A 63 -9.314 6.523 -5.776 1.00 0.00 C ATOM 881 C GLY A 63 -10.473 5.791 -6.424 1.00 0.00 C ATOM 882 O GLY A 63 -10.795 6.032 -7.587 1.00 0.00 O ATOM 0 H GLY A 63 -10.186 8.301 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.393 6.283 -6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.192 6.170 -4.752 1.00 0.00 H new ATOM 886 N LYS A 64 -11.100 4.895 -5.669 1.00 0.00 N ATOM 887 CA LYS A 64 -12.231 4.125 -6.175 1.00 0.00 C ATOM 888 C LYS A 64 -13.013 3.489 -5.031 1.00 0.00 C ATOM 889 O LYS A 64 -14.231 3.639 -4.939 1.00 0.00 O ATOM 890 CB LYS A 64 -11.746 3.045 -7.146 1.00 0.00 C ATOM 891 CG LYS A 64 -12.417 3.107 -8.508 1.00 0.00 C ATOM 892 CD LYS A 64 -12.671 1.716 -9.068 1.00 0.00 C ATOM 893 CE LYS A 64 -13.942 1.674 -9.901 1.00 0.00 C ATOM 894 NZ LYS A 64 -14.706 0.414 -9.686 1.00 0.00 N ATOM 0 H LYS A 64 -10.844 4.684 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.895 4.807 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.668 3.143 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.926 2.064 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.361 3.645 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.789 3.669 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.823 1.409 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.748 1.001 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.571 2.527 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.687 1.768 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.565 0.425 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.116 -0.400 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.972 0.336 -8.684 1.00 0.00 H new ATOM 908 N ASN A 65 -12.304 2.778 -4.159 1.00 0.00 N ATOM 909 CA ASN A 65 -12.931 2.118 -3.020 1.00 0.00 C ATOM 910 C ASN A 65 -12.505 2.773 -1.710 1.00 0.00 C ATOM 911 O ASN A 65 -11.332 2.732 -1.338 1.00 0.00 O ATOM 912 CB ASN A 65 -12.572 0.632 -3.004 1.00 0.00 C ATOM 913 CG ASN A 65 -11.082 0.395 -3.161 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.307 0.600 -2.228 1.00 0.00 O ATOM 915 ND2 ASN A 65 -10.675 -0.040 -4.348 1.00 0.00 N ATOM 0 H ASN A 65 -11.295 2.645 -4.220 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.011 2.221 -3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.911 0.189 -2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.105 0.124 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.684 -0.218 -4.514 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.353 -0.197 -5.094 1.00 0.00 H new ATOM 922 N ASP A 66 -13.465 3.376 -1.016 1.00 0.00 N ATOM 923 CA ASP A 66 -13.188 4.039 0.253 1.00 0.00 C ATOM 924 C ASP A 66 -13.002 3.019 1.372 1.00 0.00 C ATOM 925 O ASP A 66 -13.826 2.920 2.282 1.00 0.00 O ATOM 926 CB ASP A 66 -14.323 5.003 0.607 1.00 0.00 C ATOM 927 CG ASP A 66 -15.675 4.317 0.644 1.00 0.00 C ATOM 928 OD1 ASP A 66 -16.200 3.980 -0.439 1.00 0.00 O ATOM 929 OD2 ASP A 66 -16.208 4.115 1.755 1.00 0.00 O ATOM 0 H ASP A 66 -14.441 3.419 -1.311 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.262 4.604 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.122 5.456 1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.349 5.812 -0.123 1.00 0.00 H new ATOM 934 N GLY A 67 -11.913 2.260 1.298 1.00 0.00 N ATOM 935 CA GLY A 67 -11.636 1.258 2.309 1.00 0.00 C ATOM 936 C GLY A 67 -12.748 0.234 2.431 1.00 0.00 C ATOM 937 O GLY A 67 -12.953 -0.346 3.497 1.00 0.00 O ATOM 0 H GLY A 67 -11.217 2.322 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.703 0.749 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.490 1.748 3.272 1.00 0.00 H new ATOM 941 N SER A 68 -13.469 0.013 1.337 1.00 0.00 N ATOM 942 CA SER A 68 -14.567 -0.947 1.326 1.00 0.00 C ATOM 943 C SER A 68 -14.772 -1.524 -0.070 1.00 0.00 C ATOM 944 O SER A 68 -15.129 -0.805 -1.004 1.00 0.00 O ATOM 945 CB SER A 68 -15.856 -0.283 1.811 1.00 0.00 C ATOM 946 OG SER A 68 -16.465 0.469 0.774 1.00 0.00 O ATOM 0 H SER A 68 -13.313 0.485 0.447 1.00 0.00 H new ATOM 0 HA SER A 68 -14.310 -1.763 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.549 -1.045 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.637 0.369 2.657 1.00 0.00 H new ATOM 0 HG SER A 68 -15.883 0.470 -0.014 1.00 0.00 H new ATOM 952 N ILE A 69 -14.544 -2.826 -0.207 1.00 0.00 N ATOM 953 CA ILE A 69 -14.705 -3.500 -1.490 1.00 0.00 C ATOM 954 C ILE A 69 -15.475 -4.807 -1.330 1.00 0.00 C ATOM 955 O ILE A 69 -14.963 -5.776 -0.770 1.00 0.00 O ATOM 956 CB ILE A 69 -13.342 -3.797 -2.143 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.474 -2.537 -2.160 1.00 0.00 C ATOM 958 CG2 ILE A 69 -13.535 -4.332 -3.554 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.024 -2.807 -2.496 1.00 0.00 C ATOM 0 H ILE A 69 -14.247 -3.436 0.555 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.269 -2.825 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.832 -4.559 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.882 -1.834 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.529 -2.055 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.563 -4.537 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.119 -5.252 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.062 -3.591 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.468 -1.869 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.599 -3.485 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.958 -3.261 -3.485 1.00 0.00 H new ATOM 971 N GLY A 70 -16.708 -4.826 -1.826 1.00 0.00 N ATOM 972 CA GLY A 70 -17.528 -6.019 -1.727 1.00 0.00 C ATOM 973 C GLY A 70 -18.460 -5.986 -0.532 1.00 0.00 C ATOM 974 O GLY A 70 -19.516 -6.618 -0.542 1.00 0.00 O ATOM 0 H GLY A 70 -17.154 -4.037 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.115 -6.129 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -16.883 -6.895 -1.656 1.00 0.00 H new ATOM 978 N GLY A 71 -18.067 -5.248 0.502 1.00 0.00 N ATOM 979 CA GLY A 71 -18.886 -5.149 1.696 1.00 0.00 C ATOM 980 C GLY A 71 -18.061 -5.164 2.968 1.00 0.00 C ATOM 981 O GLY A 71 -18.474 -4.616 3.990 1.00 0.00 O ATOM 0 H GLY A 71 -17.197 -4.717 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.471 -4.230 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.595 -5.977 1.716 1.00 0.00 H new ATOM 985 N LYS A 72 -16.891 -5.792 2.906 1.00 0.00 N ATOM 986 CA LYS A 72 -16.005 -5.875 4.061 1.00 0.00 C ATOM 987 C LYS A 72 -15.298 -4.546 4.302 1.00 0.00 C ATOM 988 O LYS A 72 -14.754 -3.944 3.377 1.00 0.00 O ATOM 989 CB LYS A 72 -14.973 -6.986 3.858 1.00 0.00 C ATOM 990 CG LYS A 72 -14.145 -7.281 5.099 1.00 0.00 C ATOM 991 CD LYS A 72 -14.836 -8.292 6.001 1.00 0.00 C ATOM 992 CE LYS A 72 -13.849 -9.302 6.566 1.00 0.00 C ATOM 993 NZ LYS A 72 -14.417 -10.678 6.593 1.00 0.00 N ATOM 0 H LYS A 72 -16.535 -6.251 2.068 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.611 -6.106 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.487 -7.896 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.305 -6.706 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.168 -7.663 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.972 -6.357 5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.333 -7.771 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.610 -8.814 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.940 -9.296 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.565 -9.006 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.863 -11.270 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.405 -10.640 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.381 -11.087 5.638 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.309 -4.094 5.552 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.667 -2.836 5.916 1.00 0.00 C ATOM 1009 C GLN A 73 -13.188 -3.049 6.223 1.00 0.00 C ATOM 1010 O GLN A 73 -12.825 -3.942 6.987 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.367 -2.212 7.124 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.329 -0.693 7.134 1.00 0.00 C ATOM 1013 CD GLN A 73 -14.233 -0.143 8.026 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -14.412 -0.007 9.236 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -13.089 0.174 7.432 1.00 0.00 N ATOM 0 H GLN A 73 -15.755 -4.580 6.330 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.749 -2.156 5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.406 -2.541 7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.900 -2.584 8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.181 -0.330 6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -16.293 -0.311 7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.984 0.045 6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.315 0.547 7.982 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.340 -2.222 5.622 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.900 -2.320 5.831 1.00 0.00 C ATOM 1026 C TYR A 74 -10.414 -1.243 6.796 1.00 0.00 C ATOM 1027 O TYR A 74 -10.070 -1.533 7.943 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.161 -2.197 4.497 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.384 -3.370 3.570 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.660 -3.698 3.126 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.320 -4.151 3.137 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -11.868 -4.769 2.279 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -9.519 -5.224 2.289 1.00 0.00 C ATOM 1034 CZ TYR A 74 -10.795 -5.529 1.863 1.00 0.00 C ATOM 1035 OH TYR A 74 -10.999 -6.596 1.019 1.00 0.00 O ATOM 0 H TYR A 74 -12.624 -1.477 4.986 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.688 -3.296 6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.482 -1.283 3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.093 -2.096 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.503 -3.105 3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.320 -3.916 3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.866 -5.010 1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.680 -5.820 1.962 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.888 -6.976 1.181 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.389 -0.001 6.327 1.00 0.00 N ATOM 1046 CA PHE A 75 -9.946 1.119 7.149 1.00 0.00 C ATOM 1047 C PHE A 75 -10.895 2.304 7.011 1.00 0.00 C ATOM 1048 O PHE A 75 -11.165 2.770 5.904 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.528 1.536 6.758 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.341 1.718 5.279 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.164 0.622 4.451 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.343 2.985 4.718 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -7.992 0.786 3.089 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.171 3.155 3.357 1.00 0.00 C ATOM 1055 CZ PHE A 75 -7.996 2.054 2.541 1.00 0.00 C ATOM 0 H PHE A 75 -10.671 0.256 5.381 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.947 0.796 8.190 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.280 2.469 7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.825 0.783 7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.160 -0.372 4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.480 3.849 5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.855 -0.077 2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.173 4.148 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.863 2.184 1.477 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.398 2.788 8.142 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.317 3.920 8.147 1.00 0.00 C ATOM 1067 C ARG A 76 -11.606 5.200 7.720 1.00 0.00 C ATOM 1068 O ARG A 76 -10.727 5.698 8.422 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.927 4.100 9.539 1.00 0.00 C ATOM 1070 CG ARG A 76 -14.406 4.448 9.515 1.00 0.00 C ATOM 1071 CD ARG A 76 -15.117 3.946 10.761 1.00 0.00 C ATOM 1072 NE ARG A 76 -16.480 3.505 10.474 1.00 0.00 N ATOM 1073 CZ ARG A 76 -17.308 3.015 11.393 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -16.919 2.902 12.656 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -18.532 2.637 11.047 1.00 0.00 N ATOM 0 H ARG A 76 -11.185 2.414 9.067 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.114 3.714 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.788 3.181 10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.386 4.887 10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.525 5.529 9.437 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.869 4.012 8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.552 3.120 11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.142 4.739 11.508 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.816 3.577 9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.980 3.192 12.928 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.559 2.525 13.355 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.837 2.722 10.077 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.168 2.261 11.751 1.00 0.00 H new ATOM 1089 N CYS A 77 -11.994 5.729 6.564 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.394 6.952 6.043 1.00 0.00 C ATOM 1091 C CYS A 77 -12.409 7.754 5.235 1.00 0.00 C ATOM 1092 O CYS A 77 -13.575 7.372 5.127 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.181 6.619 5.173 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.643 6.417 6.100 1.00 0.00 S ATOM 0 H CYS A 77 -12.721 5.330 5.970 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.070 7.558 6.889 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.384 5.701 4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.047 7.411 4.436 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.915 6.050 7.317 1.00 0.00 H new ATOM 1100 N ASN A 78 -11.958 8.869 4.668 1.00 0.00 N ATOM 1101 CA ASN A 78 -12.827 9.726 3.871 1.00 0.00 C ATOM 1102 C ASN A 78 -13.075 9.118 2.491 1.00 0.00 C ATOM 1103 O ASN A 78 -12.199 8.460 1.928 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.210 11.117 3.722 1.00 0.00 C ATOM 1105 CG ASN A 78 -12.655 12.068 4.817 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -13.451 12.977 4.580 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -12.141 11.862 6.024 1.00 0.00 N ATOM 0 H ASN A 78 -10.996 9.199 4.746 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.782 9.813 4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.123 11.033 3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.484 11.531 2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.403 12.470 6.800 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.484 11.096 6.175 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.276 9.331 1.925 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.631 8.799 0.604 1.00 0.00 C ATOM 1116 C PRO A 79 -13.629 9.207 -0.470 1.00 0.00 C ATOM 1117 O PRO A 79 -13.448 10.393 -0.746 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.000 9.422 0.321 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.558 9.748 1.662 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.379 10.104 2.525 1.00 0.00 C ATOM 0 HA PRO A 79 -14.636 7.709 0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.907 10.316 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.646 8.728 -0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.262 10.578 1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.102 8.899 2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.176 11.175 2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.544 9.828 3.566 1.00 0.00 H new ATOM 1128 N GLY A 80 -12.980 8.217 -1.074 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.004 8.495 -2.111 1.00 0.00 C ATOM 1130 C GLY A 80 -10.630 8.825 -1.557 1.00 0.00 C ATOM 1131 O GLY A 80 -9.688 9.052 -2.316 1.00 0.00 O ATOM 0 H GLY A 80 -13.112 7.228 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.926 7.631 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.355 9.329 -2.719 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.511 8.854 -0.232 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.239 9.159 0.415 1.00 0.00 C ATOM 1137 C TYR A 81 -8.499 7.881 0.796 1.00 0.00 C ATOM 1138 O TYR A 81 -7.744 7.856 1.769 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.469 10.020 1.658 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.771 11.469 1.349 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -10.949 11.831 0.707 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.877 12.474 1.697 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.229 13.154 0.424 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.150 13.799 1.416 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.326 14.134 0.779 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.600 15.452 0.497 1.00 0.00 O ATOM 0 H TYR A 81 -11.279 8.670 0.413 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.624 9.713 -0.294 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.296 9.600 2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.584 9.970 2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.657 11.066 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.954 12.215 2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.151 13.419 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.445 14.569 1.694 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.863 16.014 0.814 1.00 0.00 H new ATOM 1156 N GLY A 82 -8.720 6.821 0.026 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.067 5.555 0.301 1.00 0.00 C ATOM 1158 C GLY A 82 -8.313 4.529 -0.787 1.00 0.00 C ATOM 1159 O GLY A 82 -9.446 4.347 -1.234 1.00 0.00 O ATOM 0 H GLY A 82 -9.340 6.816 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.994 5.718 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.425 5.164 1.253 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.250 3.855 -1.214 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.357 2.840 -2.258 1.00 0.00 C ATOM 1165 C LEU A 83 -6.625 1.565 -1.853 1.00 0.00 C ATOM 1166 O LEU A 83 -5.650 1.607 -1.103 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.788 3.373 -3.574 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.182 2.575 -4.818 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -8.611 2.895 -5.228 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -6.220 2.864 -5.961 1.00 0.00 C ATOM 0 H LEU A 83 -6.305 3.992 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.412 2.603 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.116 4.404 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.701 3.391 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.125 1.513 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.873 2.318 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.289 2.638 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.696 3.959 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.514 2.288 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.247 3.927 -6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.209 2.583 -5.665 1.00 0.00 H new ATOM 1182 N LEU A 84 -7.103 0.430 -2.355 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.495 -0.859 -2.048 1.00 0.00 C ATOM 1184 C LEU A 84 -5.788 -1.432 -3.272 1.00 0.00 C ATOM 1185 O LEU A 84 -6.399 -1.620 -4.324 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.557 -1.841 -1.548 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.660 -1.964 -0.026 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -9.111 -2.121 0.400 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.827 -3.135 0.471 1.00 0.00 C ATOM 0 H LEU A 84 -7.910 0.378 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.754 -0.707 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.527 -1.534 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.344 -2.826 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.269 -1.050 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.164 -2.207 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.681 -1.250 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.529 -3.018 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.912 -3.208 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.188 -4.057 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.783 -2.981 0.198 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.496 -1.707 -3.127 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.705 -2.260 -4.221 1.00 0.00 C ATOM 1203 C VAL A 85 -2.805 -3.389 -3.731 1.00 0.00 C ATOM 1204 O VAL A 85 -2.778 -3.703 -2.542 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.835 -1.179 -4.888 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.696 -0.232 -5.711 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -2.040 -0.414 -3.842 1.00 0.00 C ATOM 0 H VAL A 85 -3.975 -1.556 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.410 -2.652 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.131 -1.669 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.063 0.525 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.216 -0.794 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.426 0.253 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.431 0.346 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.725 0.065 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.393 -1.104 -3.300 1.00 0.00 H new ATOM 1217 N ARG A 86 -2.071 -3.997 -4.657 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.168 -5.092 -4.319 1.00 0.00 C ATOM 1219 C ARG A 86 0.201 -4.560 -3.903 1.00 0.00 C ATOM 1220 O ARG A 86 0.639 -3.512 -4.378 1.00 0.00 O ATOM 1221 CB ARG A 86 -1.021 -6.043 -5.508 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.345 -6.437 -6.142 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.756 -7.847 -5.748 1.00 0.00 C ATOM 1224 NE ARG A 86 -3.566 -8.490 -6.780 1.00 0.00 N ATOM 1225 CZ ARG A 86 -4.302 -9.580 -6.573 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.332 -10.151 -5.375 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -5.009 -10.100 -7.566 1.00 0.00 N ATOM 0 H ARG A 86 -2.083 -3.751 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.595 -5.637 -3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.392 -5.572 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.503 -6.944 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.119 -5.733 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.264 -6.371 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.864 -8.446 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.318 -7.813 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.568 -8.080 -7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.789 -9.755 -4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.898 -10.986 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.989 -9.665 -8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.573 -10.935 -7.408 1.00 0.00 H new ATOM 1241 N PRO A 87 0.898 -5.280 -3.007 1.00 0.00 N ATOM 1242 CA PRO A 87 2.224 -4.875 -2.529 1.00 0.00 C ATOM 1243 C PRO A 87 3.188 -4.589 -3.676 1.00 0.00 C ATOM 1244 O PRO A 87 4.078 -3.747 -3.557 1.00 0.00 O ATOM 1245 CB PRO A 87 2.697 -6.084 -1.721 1.00 0.00 C ATOM 1246 CG PRO A 87 1.445 -6.763 -1.285 1.00 0.00 C ATOM 1247 CD PRO A 87 0.450 -6.543 -2.391 1.00 0.00 C ATOM 0 HA PRO A 87 2.185 -3.951 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.316 -6.746 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.299 -5.777 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.615 -7.827 -1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.082 -6.347 -0.345 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.457 -7.364 -3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.567 -6.464 -2.007 1.00 0.00 H new ATOM 1255 N SER A 88 3.001 -5.294 -4.785 1.00 0.00 N ATOM 1256 CA SER A 88 3.851 -5.116 -5.957 1.00 0.00 C ATOM 1257 C SER A 88 3.760 -3.687 -6.484 1.00 0.00 C ATOM 1258 O SER A 88 4.697 -3.185 -7.106 1.00 0.00 O ATOM 1259 CB SER A 88 3.455 -6.105 -7.054 1.00 0.00 C ATOM 1260 OG SER A 88 4.598 -6.630 -7.707 1.00 0.00 O ATOM 0 H SER A 88 2.268 -5.995 -4.898 1.00 0.00 H new ATOM 0 HA SER A 88 4.882 -5.308 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.874 -6.919 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.813 -5.608 -7.782 1.00 0.00 H new ATOM 0 HG SER A 88 4.317 -7.261 -8.402 1.00 0.00 H new ATOM 1266 N ARG A 89 2.628 -3.038 -6.234 1.00 0.00 N ATOM 1267 CA ARG A 89 2.417 -1.668 -6.686 1.00 0.00 C ATOM 1268 C ARG A 89 2.698 -0.673 -5.563 1.00 0.00 C ATOM 1269 O ARG A 89 2.101 0.401 -5.509 1.00 0.00 O ATOM 1270 CB ARG A 89 0.984 -1.491 -7.192 1.00 0.00 C ATOM 1271 CG ARG A 89 0.704 -2.222 -8.495 1.00 0.00 C ATOM 1272 CD ARG A 89 0.709 -1.272 -9.682 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.347 -1.589 -10.641 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.623 -0.849 -11.712 1.00 0.00 C ATOM 1275 NH1 ARG A 89 0.078 0.250 -11.966 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -1.601 -1.207 -12.532 1.00 0.00 N ATOM 0 H ARG A 89 1.843 -3.439 -5.721 1.00 0.00 H new ATOM 0 HA ARG A 89 3.111 -1.471 -7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.292 -1.847 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.785 -0.428 -7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.455 -2.998 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.263 -2.722 -8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.582 -0.249 -9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.677 -1.319 -10.180 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.906 -2.427 -10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.832 0.530 -11.339 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.138 0.814 -12.788 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.143 -2.050 -12.342 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.812 -0.639 -13.353 1.00 0.00 H new ATOM 1290 N VAL A 90 3.612 -1.038 -4.669 1.00 0.00 N ATOM 1291 CA VAL A 90 3.972 -0.177 -3.550 1.00 0.00 C ATOM 1292 C VAL A 90 5.484 -0.118 -3.367 1.00 0.00 C ATOM 1293 O VAL A 90 6.167 -1.140 -3.425 1.00 0.00 O ATOM 1294 CB VAL A 90 3.327 -0.659 -2.236 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.524 0.371 -1.135 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.850 -0.954 -2.443 1.00 0.00 C ATOM 0 H VAL A 90 4.116 -1.924 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 90 3.596 0.819 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 90 3.818 -1.582 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.062 0.013 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.590 0.527 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.062 1.313 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.412 -1.293 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.341 -0.049 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.737 -1.732 -3.198 1.00 0.00 H new ATOM 1306 N ARG A 91 6.002 1.086 -3.144 1.00 0.00 N ATOM 1307 CA ARG A 91 7.434 1.279 -2.952 1.00 0.00 C ATOM 1308 C ARG A 91 7.712 2.050 -1.666 1.00 0.00 C ATOM 1309 O ARG A 91 6.795 2.580 -1.038 1.00 0.00 O ATOM 1310 CB ARG A 91 8.035 2.024 -4.146 1.00 0.00 C ATOM 1311 CG ARG A 91 8.054 1.207 -5.426 1.00 0.00 C ATOM 1312 CD ARG A 91 9.254 0.276 -5.476 1.00 0.00 C ATOM 1313 NE ARG A 91 9.291 -0.505 -6.709 1.00 0.00 N ATOM 1314 CZ ARG A 91 10.317 -1.273 -7.071 1.00 0.00 C ATOM 1315 NH1 ARG A 91 11.391 -1.364 -6.296 1.00 0.00 N ATOM 1316 NH2 ARG A 91 10.268 -1.952 -8.208 1.00 0.00 N ATOM 0 H ARG A 91 5.451 1.943 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 91 7.899 0.296 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.466 2.938 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.054 2.324 -3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.136 0.623 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.076 1.877 -6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.170 0.861 -5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.225 -0.399 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 91 8.483 -0.460 -7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.433 -0.844 -5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.174 -1.953 -6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.444 -1.886 -8.806 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.054 -2.540 -8.485 1.00 0.00 H new ATOM 1330 N ARG A 92 8.981 2.107 -1.277 1.00 0.00 N ATOM 1331 CA ARG A 92 9.379 2.813 -0.065 1.00 0.00 C ATOM 1332 C ARG A 92 9.253 4.323 -0.252 1.00 0.00 C ATOM 1333 O ARG A 92 9.348 4.830 -1.369 1.00 0.00 O ATOM 1334 CB ARG A 92 10.815 2.448 0.316 1.00 0.00 C ATOM 1335 CG ARG A 92 10.914 1.614 1.585 1.00 0.00 C ATOM 1336 CD ARG A 92 12.033 2.104 2.490 1.00 0.00 C ATOM 1337 NE ARG A 92 11.934 1.545 3.835 1.00 0.00 N ATOM 1338 CZ ARG A 92 12.543 2.061 4.900 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.295 3.148 4.781 1.00 0.00 N ATOM 1340 NH2 ARG A 92 12.401 1.491 6.088 1.00 0.00 N ATOM 0 H ARG A 92 9.752 1.672 -1.784 1.00 0.00 H new ATOM 0 HA ARG A 92 8.712 2.508 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.272 1.898 -0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.392 3.364 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.967 1.654 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.088 0.570 1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.995 1.834 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.003 3.192 2.547 1.00 0.00 H new ATOM 0 HE ARG A 92 11.364 0.709 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.409 3.592 3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.759 3.539 5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.824 0.656 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.868 1.888 6.903 1.00 0.00 H new ATOM 1354 N ALA A 93 9.040 5.034 0.850 1.00 0.00 N ATOM 1355 CA ALA A 93 8.902 6.485 0.808 1.00 0.00 C ATOM 1356 C ALA A 93 10.195 7.173 1.229 1.00 0.00 C ATOM 1357 O ALA A 93 11.197 6.516 1.510 1.00 0.00 O ATOM 1358 CB ALA A 93 7.751 6.931 1.696 1.00 0.00 C ATOM 0 H ALA A 93 8.959 4.629 1.783 1.00 0.00 H new ATOM 0 HA ALA A 93 8.687 6.775 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.659 8.016 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.824 6.475 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.943 6.622 2.723 1.00 0.00 H new