USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.15) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 154:sc= -0.139 (180deg=-0.697) USER MOD Single : A 25 MET CE :methyl -159:sc= -0.116 (180deg=-0.619) USER MOD Single : A 27 THR OG1 : rot -121:sc= -0.148 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 130:sc= 0.0188 USER MOD Single : A 35 ASN : amide:sc= -7.66! C(o=-7.7!,f=-8.2!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0211 (180deg=-0.204) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -8.32! C(o=-11!,f=-8.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.854 K(o=0.85,f=-0.067) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.823 K(o=0.82,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 -0.272 -6.138 -1.742 1.00 0.00 N ATOM 198 CA TRP A 16 -1.062 -5.365 -0.790 1.00 0.00 C ATOM 199 C TRP A 16 -0.849 -5.871 0.633 1.00 0.00 C ATOM 200 O TRP A 16 -0.505 -5.102 1.529 1.00 0.00 O ATOM 201 CB TRP A 16 -2.546 -5.433 -1.152 1.00 0.00 C ATOM 202 CG TRP A 16 -2.935 -4.485 -2.245 1.00 0.00 C ATOM 203 CD1 TRP A 16 -2.128 -3.997 -3.233 1.00 0.00 C ATOM 204 CD2 TRP A 16 -4.228 -3.908 -2.460 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.841 -3.152 -4.049 1.00 0.00 N ATOM 206 CE2 TRP A 16 -4.132 -3.082 -3.596 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.458 -4.012 -1.804 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -5.219 -2.364 -4.088 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.535 -3.298 -2.293 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.411 -2.483 -3.426 1.00 0.00 C ATOM 0 HA TRP A 16 -0.731 -4.328 -0.840 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.792 -6.450 -1.458 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.140 -5.216 -0.264 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.083 -4.240 -3.355 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.469 -2.657 -4.860 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.564 -4.639 -0.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -5.125 -1.735 -4.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.490 -3.369 -1.793 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.272 -1.938 -3.784 1.00 0.00 H new ATOM 221 N GLU A 17 -1.055 -7.170 0.831 1.00 0.00 N ATOM 222 CA GLU A 17 -0.886 -7.777 2.146 1.00 0.00 C ATOM 223 C GLU A 17 0.432 -7.342 2.780 1.00 0.00 C ATOM 224 O GLU A 17 0.490 -7.033 3.970 1.00 0.00 O ATOM 225 CB GLU A 17 -0.933 -9.303 2.037 1.00 0.00 C ATOM 226 CG GLU A 17 0.007 -9.868 0.986 1.00 0.00 C ATOM 227 CD GLU A 17 -0.244 -11.337 0.708 1.00 0.00 C ATOM 228 OE1 GLU A 17 -0.317 -12.120 1.678 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.366 -11.704 -0.479 1.00 0.00 O ATOM 0 H GLU A 17 -1.339 -7.821 0.099 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.704 -7.440 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.683 -9.736 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.952 -9.611 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.106 -9.303 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.037 -9.735 1.316 1.00 0.00 H new ATOM 236 N LYS A 18 1.491 -7.322 1.977 1.00 0.00 N ATOM 237 CA LYS A 18 2.809 -6.925 2.457 1.00 0.00 C ATOM 238 C LYS A 18 2.825 -5.451 2.846 1.00 0.00 C ATOM 239 O LYS A 18 3.167 -5.102 3.976 1.00 0.00 O ATOM 240 CB LYS A 18 3.867 -7.192 1.384 1.00 0.00 C ATOM 241 CG LYS A 18 3.906 -8.635 0.913 1.00 0.00 C ATOM 242 CD LYS A 18 4.858 -8.815 -0.257 1.00 0.00 C ATOM 243 CE LYS A 18 6.295 -8.983 0.214 1.00 0.00 C ATOM 244 NZ LYS A 18 6.462 -10.196 1.061 1.00 0.00 N ATOM 0 H LYS A 18 1.462 -7.577 0.990 1.00 0.00 H new ATOM 0 HA LYS A 18 3.040 -7.518 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.676 -6.545 0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.847 -6.920 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.215 -9.279 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.905 -8.950 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.560 -9.687 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.790 -7.952 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.955 -9.050 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.598 -8.101 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.446 -10.529 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.235 -9.964 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.822 -10.944 0.726 1.00 0.00 H new ATOM 258 N GLU A 19 2.452 -4.590 1.904 1.00 0.00 N ATOM 259 CA GLU A 19 2.424 -3.153 2.151 1.00 0.00 C ATOM 260 C GLU A 19 1.566 -2.828 3.370 1.00 0.00 C ATOM 261 O GLU A 19 1.862 -1.897 4.119 1.00 0.00 O ATOM 262 CB GLU A 19 1.887 -2.413 0.924 1.00 0.00 C ATOM 263 CG GLU A 19 2.810 -2.485 -0.281 1.00 0.00 C ATOM 264 CD GLU A 19 4.269 -2.622 0.108 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.698 -3.755 0.410 1.00 0.00 O ATOM 266 OE2 GLU A 19 4.981 -1.596 0.111 1.00 0.00 O ATOM 0 H GLU A 19 2.165 -4.862 0.964 1.00 0.00 H new ATOM 0 HA GLU A 19 3.444 -2.824 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.917 -2.830 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.723 -1.367 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.523 -3.332 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.682 -1.587 -0.886 1.00 0.00 H new ATOM 273 N GLU A 20 0.502 -3.601 3.562 1.00 0.00 N ATOM 274 CA GLU A 20 -0.399 -3.394 4.689 1.00 0.00 C ATOM 275 C GLU A 20 0.375 -3.343 6.003 1.00 0.00 C ATOM 276 O GLU A 20 0.024 -2.593 6.914 1.00 0.00 O ATOM 277 CB GLU A 20 -1.447 -4.508 4.745 1.00 0.00 C ATOM 278 CG GLU A 20 -2.715 -4.191 3.970 1.00 0.00 C ATOM 279 CD GLU A 20 -3.635 -3.245 4.718 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.933 -3.520 5.899 1.00 0.00 O ATOM 281 OE2 GLU A 20 -4.056 -2.232 4.123 1.00 0.00 O ATOM 0 H GLU A 20 0.243 -4.376 2.952 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.903 -2.438 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.011 -5.426 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.706 -4.699 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.449 -3.749 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.248 -5.118 3.758 1.00 0.00 H new ATOM 288 N ALA A 21 1.430 -4.146 6.093 1.00 0.00 N ATOM 289 CA ALA A 21 2.255 -4.192 7.293 1.00 0.00 C ATOM 290 C ALA A 21 3.074 -2.915 7.446 1.00 0.00 C ATOM 291 O ALA A 21 3.317 -2.450 8.560 1.00 0.00 O ATOM 292 CB ALA A 21 3.171 -5.407 7.258 1.00 0.00 C ATOM 0 H ALA A 21 1.733 -4.774 5.348 1.00 0.00 H new ATOM 0 HA ALA A 21 1.593 -4.274 8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.782 -5.429 8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.570 -6.315 7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.819 -5.349 6.383 1.00 0.00 H new ATOM 298 N LEU A 22 3.498 -2.351 6.320 1.00 0.00 N ATOM 299 CA LEU A 22 4.290 -1.127 6.328 1.00 0.00 C ATOM 300 C LEU A 22 3.444 0.067 6.759 1.00 0.00 C ATOM 301 O LEU A 22 3.972 1.109 7.143 1.00 0.00 O ATOM 302 CB LEU A 22 4.885 -0.871 4.942 1.00 0.00 C ATOM 303 CG LEU A 22 5.692 -2.020 4.336 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.787 -1.868 2.826 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.081 -2.081 4.956 1.00 0.00 C ATOM 0 H LEU A 22 3.306 -2.723 5.390 1.00 0.00 H new ATOM 0 HA LEU A 22 5.100 -1.253 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.072 -0.625 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.528 0.007 5.001 1.00 0.00 H new ATOM 0 HG LEU A 22 5.176 -2.955 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.365 -2.695 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.785 -1.875 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.279 -0.926 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.641 -2.904 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.605 -1.144 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.993 -2.239 6.031 1.00 0.00 H new ATOM 317 N GLY A 23 2.126 -0.094 6.693 1.00 0.00 N ATOM 318 CA GLY A 23 1.227 0.977 7.081 1.00 0.00 C ATOM 319 C GLY A 23 1.451 2.242 6.276 1.00 0.00 C ATOM 320 O GLY A 23 1.301 2.241 5.055 1.00 0.00 O ATOM 0 H GLY A 23 1.665 -0.947 6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.196 0.646 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.363 1.195 8.140 1.00 0.00 H new ATOM 324 N GLU A 24 1.810 3.323 6.962 1.00 0.00 N ATOM 325 CA GLU A 24 2.052 4.600 6.301 1.00 0.00 C ATOM 326 C GLU A 24 3.179 4.479 5.280 1.00 0.00 C ATOM 327 O GLU A 24 3.380 5.369 4.454 1.00 0.00 O ATOM 328 CB GLU A 24 2.396 5.676 7.333 1.00 0.00 C ATOM 329 CG GLU A 24 1.255 5.993 8.286 1.00 0.00 C ATOM 330 CD GLU A 24 1.724 6.700 9.542 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.063 7.899 9.456 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.752 6.056 10.611 1.00 0.00 O ATOM 0 H GLU A 24 1.939 3.340 7.974 1.00 0.00 H new ATOM 0 HA GLU A 24 1.141 4.888 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.261 5.350 7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.687 6.588 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.522 6.617 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.749 5.068 8.562 1.00 0.00 H new ATOM 339 N MET A 25 3.912 3.373 5.345 1.00 0.00 N ATOM 340 CA MET A 25 5.020 3.135 4.426 1.00 0.00 C ATOM 341 C MET A 25 4.542 2.403 3.177 1.00 0.00 C ATOM 342 O MET A 25 5.285 2.261 2.206 1.00 0.00 O ATOM 343 CB MET A 25 6.119 2.326 5.117 1.00 0.00 C ATOM 344 CG MET A 25 7.227 3.184 5.705 1.00 0.00 C ATOM 345 SD MET A 25 8.205 4.018 4.440 1.00 0.00 S ATOM 346 CE MET A 25 9.000 2.621 3.650 1.00 0.00 C ATOM 0 H MET A 25 3.759 2.627 6.024 1.00 0.00 H new ATOM 0 HA MET A 25 5.425 4.102 4.126 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.673 1.728 5.912 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.552 1.630 4.399 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.790 3.928 6.371 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.882 2.559 6.312 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.891 2.960 3.122 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.283 1.888 4.406 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.310 2.163 2.941 1.00 0.00 H new ATOM 356 N ALA A 26 3.297 1.939 3.208 1.00 0.00 N ATOM 357 CA ALA A 26 2.720 1.223 2.077 1.00 0.00 C ATOM 358 C ALA A 26 3.201 1.808 0.753 1.00 0.00 C ATOM 359 O ALA A 26 3.096 3.012 0.520 1.00 0.00 O ATOM 360 CB ALA A 26 1.200 1.257 2.150 1.00 0.00 C ATOM 0 H ALA A 26 2.669 2.046 4.004 1.00 0.00 H new ATOM 0 HA ALA A 26 3.052 0.186 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.783 0.718 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.870 0.785 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.858 2.292 2.128 1.00 0.00 H new ATOM 366 N THR A 27 3.730 0.947 -0.111 1.00 0.00 N ATOM 367 CA THR A 27 4.229 1.379 -1.411 1.00 0.00 C ATOM 368 C THR A 27 3.109 1.416 -2.445 1.00 0.00 C ATOM 369 O THR A 27 3.364 1.478 -3.648 1.00 0.00 O ATOM 370 CB THR A 27 5.350 0.453 -1.918 1.00 0.00 C ATOM 371 OG1 THR A 27 4.820 -0.844 -2.212 1.00 0.00 O ATOM 372 CG2 THR A 27 6.459 0.330 -0.883 1.00 0.00 C ATOM 0 H THR A 27 3.824 -0.053 0.066 1.00 0.00 H new ATOM 0 HA THR A 27 4.630 2.384 -1.278 1.00 0.00 H new ATOM 0 HB THR A 27 5.767 0.888 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.278 -1.516 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.240 -0.329 -1.263 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.881 1.315 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.052 -0.084 0.039 1.00 0.00 H new ATOM 380 N VAL A 28 1.869 1.377 -1.969 1.00 0.00 N ATOM 381 CA VAL A 28 0.710 1.408 -2.853 1.00 0.00 C ATOM 382 C VAL A 28 -0.206 2.580 -2.519 1.00 0.00 C ATOM 383 O VAL A 28 -0.174 3.109 -1.408 1.00 0.00 O ATOM 384 CB VAL A 28 -0.098 0.099 -2.766 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.762 -0.209 -4.100 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.798 -1.050 -2.329 1.00 0.00 C ATOM 0 H VAL A 28 1.641 1.324 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 28 1.090 1.525 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.881 0.224 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.328 -1.137 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.436 0.605 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.002 -0.316 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.212 -1.967 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.604 -1.178 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.221 -0.829 -1.349 1.00 0.00 H new ATOM 396 N ALA A 29 -1.022 2.982 -3.487 1.00 0.00 N ATOM 397 CA ALA A 29 -1.949 4.090 -3.295 1.00 0.00 C ATOM 398 C ALA A 29 -3.085 3.699 -2.356 1.00 0.00 C ATOM 399 O ALA A 29 -3.316 4.332 -1.325 1.00 0.00 O ATOM 400 CB ALA A 29 -2.505 4.552 -4.634 1.00 0.00 C ATOM 0 H ALA A 29 -1.060 2.556 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.401 4.914 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.196 5.380 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.686 4.880 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.032 3.727 -5.113 1.00 0.00 H new ATOM 406 N PRO A 30 -3.813 2.632 -2.718 1.00 0.00 N ATOM 407 CA PRO A 30 -4.937 2.133 -1.920 1.00 0.00 C ATOM 408 C PRO A 30 -4.482 1.501 -0.609 1.00 0.00 C ATOM 409 O PRO A 30 -5.070 1.742 0.445 1.00 0.00 O ATOM 410 CB PRO A 30 -5.577 1.080 -2.828 1.00 0.00 C ATOM 411 CG PRO A 30 -4.472 0.629 -3.721 1.00 0.00 C ATOM 412 CD PRO A 30 -3.594 1.831 -3.933 1.00 0.00 C ATOM 0 HA PRO A 30 -5.617 2.934 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.981 0.250 -2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.403 1.501 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.912 -0.188 -3.266 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.863 0.259 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.547 1.549 -4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.874 2.380 -4.832 1.00 0.00 H new ATOM 420 N VAL A 31 -3.431 0.690 -0.682 1.00 0.00 N ATOM 421 CA VAL A 31 -2.897 0.024 0.500 1.00 0.00 C ATOM 422 C VAL A 31 -2.401 1.037 1.525 1.00 0.00 C ATOM 423 O VAL A 31 -2.300 0.735 2.715 1.00 0.00 O ATOM 424 CB VAL A 31 -1.741 -0.927 0.133 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.360 -1.788 1.327 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.121 -1.792 -1.059 1.00 0.00 C ATOM 0 H VAL A 31 -2.933 0.479 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.712 -0.556 0.933 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.874 -0.328 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.542 -2.453 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.044 -1.148 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.220 -2.381 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.293 -2.457 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.002 -2.385 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.341 -1.155 -1.916 1.00 0.00 H new ATOM 436 N LEU A 32 -2.092 2.241 1.056 1.00 0.00 N ATOM 437 CA LEU A 32 -1.607 3.302 1.933 1.00 0.00 C ATOM 438 C LEU A 32 -2.768 4.102 2.515 1.00 0.00 C ATOM 439 O LEU A 32 -2.850 4.304 3.727 1.00 0.00 O ATOM 440 CB LEU A 32 -0.665 4.233 1.166 1.00 0.00 C ATOM 441 CG LEU A 32 -0.428 5.609 1.789 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.299 5.475 3.118 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.358 6.497 0.836 1.00 0.00 C ATOM 0 H LEU A 32 -2.168 2.507 0.074 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.062 2.839 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.298 3.734 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.065 4.375 0.162 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.396 6.075 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.459 6.464 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.302 4.876 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.261 4.989 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.518 7.472 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.322 6.036 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.201 6.620 -0.091 1.00 0.00 H new ATOM 455 N TYR A 33 -3.664 4.552 1.644 1.00 0.00 N ATOM 456 CA TYR A 33 -4.821 5.330 2.072 1.00 0.00 C ATOM 457 C TYR A 33 -5.484 4.695 3.290 1.00 0.00 C ATOM 458 O TYR A 33 -5.646 5.336 4.329 1.00 0.00 O ATOM 459 CB TYR A 33 -5.833 5.448 0.931 1.00 0.00 C ATOM 460 CG TYR A 33 -7.145 6.073 1.347 1.00 0.00 C ATOM 461 CD1 TYR A 33 -7.333 7.449 1.280 1.00 0.00 C ATOM 462 CD2 TYR A 33 -8.196 5.290 1.807 1.00 0.00 C ATOM 463 CE1 TYR A 33 -8.529 8.025 1.660 1.00 0.00 C ATOM 464 CE2 TYR A 33 -9.396 5.858 2.188 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.558 7.225 2.112 1.00 0.00 C ATOM 466 OH TYR A 33 -10.752 7.795 2.492 1.00 0.00 O ATOM 0 H TYR A 33 -3.612 4.392 0.638 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.475 6.326 2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.396 6.042 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.026 4.456 0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.530 8.078 0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.073 4.219 1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.658 9.096 1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.203 5.235 2.544 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.371 7.094 2.784 1.00 0.00 H new ATOM 476 N THR A 34 -5.866 3.428 3.156 1.00 0.00 N ATOM 477 CA THR A 34 -6.512 2.705 4.244 1.00 0.00 C ATOM 478 C THR A 34 -5.603 2.623 5.465 1.00 0.00 C ATOM 479 O THR A 34 -6.048 2.820 6.595 1.00 0.00 O ATOM 480 CB THR A 34 -6.905 1.279 3.814 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.870 0.707 3.008 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.213 1.289 3.037 1.00 0.00 C ATOM 0 H THR A 34 -5.739 2.882 2.304 1.00 0.00 H new ATOM 0 HA THR A 34 -7.414 3.261 4.502 1.00 0.00 H new ATOM 0 HB THR A 34 -7.039 0.677 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.642 -0.182 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.470 0.271 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.006 1.697 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.102 1.906 2.145 1.00 0.00 H new ATOM 490 N ASN A 35 -4.328 2.332 5.230 1.00 0.00 N ATOM 491 CA ASN A 35 -3.356 2.224 6.312 1.00 0.00 C ATOM 492 C ASN A 35 -3.428 3.440 7.231 1.00 0.00 C ATOM 493 O ASN A 35 -3.213 3.332 8.438 1.00 0.00 O ATOM 494 CB ASN A 35 -1.943 2.083 5.744 1.00 0.00 C ATOM 495 CG ASN A 35 -1.589 0.643 5.426 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.271 -0.286 5.858 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.516 0.451 4.667 1.00 0.00 N ATOM 0 H ASN A 35 -3.944 2.167 4.300 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.596 1.335 6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.857 2.684 4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.225 2.481 6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.228 -0.496 4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.020 1.251 4.331 1.00 0.00 H new ATOM 504 N ILE A 36 -3.733 4.596 6.650 1.00 0.00 N ATOM 505 CA ILE A 36 -3.835 5.832 7.416 1.00 0.00 C ATOM 506 C ILE A 36 -5.267 6.075 7.879 1.00 0.00 C ATOM 507 O ILE A 36 -5.545 6.113 9.077 1.00 0.00 O ATOM 508 CB ILE A 36 -3.359 7.044 6.595 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.867 6.921 6.280 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.643 8.337 7.346 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.393 7.884 5.214 1.00 0.00 C ATOM 0 H ILE A 36 -3.914 4.702 5.652 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.189 5.718 8.287 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.909 7.065 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.296 7.092 7.193 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.655 5.902 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.301 9.185 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.715 8.427 7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.117 8.326 8.301 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.326 7.740 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.938 7.699 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.573 8.908 5.542 1.00 0.00 H new ATOM 523 N ASN A 37 -6.173 6.238 6.920 1.00 0.00 N ATOM 524 CA ASN A 37 -7.578 6.477 7.229 1.00 0.00 C ATOM 525 C ASN A 37 -8.122 5.396 8.159 1.00 0.00 C ATOM 526 O ASN A 37 -8.730 5.695 9.187 1.00 0.00 O ATOM 527 CB ASN A 37 -8.404 6.520 5.942 1.00 0.00 C ATOM 528 CG ASN A 37 -8.227 7.822 5.184 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.030 8.745 5.316 1.00 0.00 O ATOM 530 ND2 ASN A 37 -7.169 7.901 4.385 1.00 0.00 N ATOM 0 H ASN A 37 -5.959 6.209 5.923 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.655 7.439 7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.116 5.687 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.458 6.385 6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.996 8.752 3.850 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.529 7.111 4.306 1.00 0.00 H new ATOM 537 N PHE A 38 -7.897 4.139 7.792 1.00 0.00 N ATOM 538 CA PHE A 38 -8.365 3.014 8.592 1.00 0.00 C ATOM 539 C PHE A 38 -7.194 2.302 9.265 1.00 0.00 C ATOM 540 O PHE A 38 -6.638 1.336 8.741 1.00 0.00 O ATOM 541 CB PHE A 38 -9.143 2.027 7.719 1.00 0.00 C ATOM 542 CG PHE A 38 -10.448 2.573 7.216 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.477 3.490 6.178 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.647 2.168 7.781 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.678 3.994 5.713 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.850 2.668 7.320 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.865 3.583 6.285 1.00 0.00 C ATOM 0 H PHE A 38 -7.393 3.874 6.946 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.027 3.402 9.367 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.525 1.742 6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.334 1.120 8.292 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.551 3.815 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.641 1.453 8.591 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.687 4.708 4.903 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.778 2.344 7.768 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.804 3.976 5.924 1.00 0.00 H new ATOM 557 N PRO A 39 -6.810 2.789 10.454 1.00 0.00 N ATOM 558 CA PRO A 39 -5.703 2.215 11.224 1.00 0.00 C ATOM 559 C PRO A 39 -6.040 0.839 11.787 1.00 0.00 C ATOM 560 O PRO A 39 -5.233 -0.086 11.714 1.00 0.00 O ATOM 561 CB PRO A 39 -5.501 3.223 12.359 1.00 0.00 C ATOM 562 CG PRO A 39 -6.824 3.889 12.514 1.00 0.00 C ATOM 563 CD PRO A 39 -7.427 3.938 11.138 1.00 0.00 C ATOM 0 HA PRO A 39 -4.816 2.060 10.610 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.198 2.726 13.280 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.721 3.944 12.114 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.463 3.333 13.200 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.710 4.892 12.926 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.513 3.850 11.172 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.199 4.876 10.633 1.00 0.00 H new ATOM 571 N ASN A 40 -7.238 0.712 12.349 1.00 0.00 N ATOM 572 CA ASN A 40 -7.682 -0.552 12.925 1.00 0.00 C ATOM 573 C ASN A 40 -8.254 -1.469 11.848 1.00 0.00 C ATOM 574 O ASN A 40 -8.912 -2.465 12.152 1.00 0.00 O ATOM 575 CB ASN A 40 -8.733 -0.301 14.009 1.00 0.00 C ATOM 576 CG ASN A 40 -8.304 0.770 14.993 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.788 1.900 14.947 1.00 0.00 O ATOM 578 ND2 ASN A 40 -7.390 0.417 15.890 1.00 0.00 N ATOM 0 H ASN A 40 -7.918 1.469 12.418 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.818 -1.043 13.373 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.671 -0.005 13.540 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.925 -1.229 14.547 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.062 1.095 16.578 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.016 -0.532 15.891 1.00 0.00 H new ATOM 585 N LEU A 41 -7.999 -1.126 10.591 1.00 0.00 N ATOM 586 CA LEU A 41 -8.488 -1.919 9.468 1.00 0.00 C ATOM 587 C LEU A 41 -8.287 -3.409 9.724 1.00 0.00 C ATOM 588 O LEU A 41 -9.240 -4.188 9.704 1.00 0.00 O ATOM 589 CB LEU A 41 -7.772 -1.510 8.179 1.00 0.00 C ATOM 590 CG LEU A 41 -8.366 -2.054 6.880 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.489 -1.155 6.388 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.286 -2.192 5.816 1.00 0.00 C ATOM 0 H LEU A 41 -7.457 -0.305 10.323 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.556 -1.729 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.762 -0.422 8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.734 -1.836 8.245 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.781 -3.042 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.899 -1.559 5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.274 -1.108 7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.100 -0.153 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.727 -2.581 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.841 -1.216 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.515 -2.878 6.167 1.00 0.00 H new ATOM 604 N LYS A 42 -7.040 -3.799 9.967 1.00 0.00 N ATOM 605 CA LYS A 42 -6.712 -5.195 10.231 1.00 0.00 C ATOM 606 C LYS A 42 -7.773 -5.845 11.114 1.00 0.00 C ATOM 607 O LYS A 42 -8.412 -6.818 10.716 1.00 0.00 O ATOM 608 CB LYS A 42 -5.341 -5.300 10.902 1.00 0.00 C ATOM 609 CG LYS A 42 -4.327 -4.299 10.375 1.00 0.00 C ATOM 610 CD LYS A 42 -4.345 -3.010 11.180 1.00 0.00 C ATOM 611 CE LYS A 42 -3.365 -3.065 12.341 1.00 0.00 C ATOM 612 NZ LYS A 42 -1.951 -2.999 11.877 1.00 0.00 N ATOM 0 H LYS A 42 -6.239 -3.167 9.987 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.684 -5.723 9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.459 -5.154 11.976 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.952 -6.308 10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.330 -4.737 10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.541 -4.079 9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.095 -2.171 10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.351 -2.831 11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.563 -2.238 13.023 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.520 -3.986 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.341 -2.701 12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.651 -3.937 11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.872 -2.312 11.100 1.00 0.00 H new ATOM 626 N GLU A 43 -7.955 -5.299 12.312 1.00 0.00 N ATOM 627 CA GLU A 43 -8.939 -5.827 13.250 1.00 0.00 C ATOM 628 C GLU A 43 -10.321 -5.897 12.606 1.00 0.00 C ATOM 629 O GLU A 43 -10.923 -6.967 12.521 1.00 0.00 O ATOM 630 CB GLU A 43 -8.994 -4.959 14.509 1.00 0.00 C ATOM 631 CG GLU A 43 -7.652 -4.814 15.207 1.00 0.00 C ATOM 632 CD GLU A 43 -7.791 -4.624 16.705 1.00 0.00 C ATOM 633 OE1 GLU A 43 -8.656 -5.293 17.309 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.037 -3.807 17.273 1.00 0.00 O ATOM 0 H GLU A 43 -7.435 -4.492 12.656 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.634 -6.836 13.527 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.364 -3.969 14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.712 -5.390 15.206 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.047 -5.700 15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.117 -3.963 14.785 1.00 0.00 H new ATOM 641 N GLU A 44 -10.816 -4.748 12.156 1.00 0.00 N ATOM 642 CA GLU A 44 -12.127 -4.679 11.521 1.00 0.00 C ATOM 643 C GLU A 44 -12.315 -5.828 10.534 1.00 0.00 C ATOM 644 O GLU A 44 -13.393 -6.417 10.448 1.00 0.00 O ATOM 645 CB GLU A 44 -12.300 -3.340 10.801 1.00 0.00 C ATOM 646 CG GLU A 44 -12.852 -2.238 11.689 1.00 0.00 C ATOM 647 CD GLU A 44 -14.275 -2.509 12.138 1.00 0.00 C ATOM 648 OE1 GLU A 44 -15.038 -3.118 11.360 1.00 0.00 O ATOM 649 OE2 GLU A 44 -14.625 -2.111 13.269 1.00 0.00 O ATOM 0 H GLU A 44 -10.330 -3.854 12.219 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.884 -4.765 12.300 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.336 -3.025 10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.967 -3.478 9.950 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.213 -2.128 12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.819 -1.291 11.150 1.00 0.00 H new ATOM 656 N PHE A 45 -11.259 -6.141 9.791 1.00 0.00 N ATOM 657 CA PHE A 45 -11.307 -7.218 8.809 1.00 0.00 C ATOM 658 C PHE A 45 -10.067 -8.101 8.909 1.00 0.00 C ATOM 659 O PHE A 45 -9.027 -7.824 8.311 1.00 0.00 O ATOM 660 CB PHE A 45 -11.425 -6.643 7.396 1.00 0.00 C ATOM 661 CG PHE A 45 -12.383 -5.490 7.296 1.00 0.00 C ATOM 662 CD1 PHE A 45 -11.968 -4.200 7.584 1.00 0.00 C ATOM 663 CD2 PHE A 45 -13.699 -5.697 6.914 1.00 0.00 C ATOM 664 CE1 PHE A 45 -12.846 -3.137 7.492 1.00 0.00 C ATOM 665 CE2 PHE A 45 -14.582 -4.638 6.820 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.156 -3.357 7.111 1.00 0.00 C ATOM 0 H PHE A 45 -10.359 -5.664 9.850 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.184 -7.829 9.020 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.440 -6.317 7.062 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.747 -7.432 6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.946 -4.023 7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.038 -6.697 6.687 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.509 -2.136 7.717 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.605 -4.812 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.845 -2.529 7.041 1.00 0.00 H new ATOM 676 N PRO A 46 -10.178 -9.190 9.683 1.00 0.00 N ATOM 677 CA PRO A 46 -9.076 -10.137 9.881 1.00 0.00 C ATOM 678 C PRO A 46 -8.771 -10.942 8.622 1.00 0.00 C ATOM 679 O PRO A 46 -7.621 -11.031 8.194 1.00 0.00 O ATOM 680 CB PRO A 46 -9.592 -11.055 10.992 1.00 0.00 C ATOM 681 CG PRO A 46 -11.076 -10.979 10.887 1.00 0.00 C ATOM 682 CD PRO A 46 -11.388 -9.582 10.426 1.00 0.00 C ATOM 0 HA PRO A 46 -8.143 -9.631 10.128 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.237 -12.077 10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.247 -10.724 11.971 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.455 -11.717 10.180 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.546 -11.187 11.848 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.275 -9.556 9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.578 -8.914 11.266 1.00 0.00 H new ATOM 690 N ASP A 47 -9.809 -11.527 8.034 1.00 0.00 N ATOM 691 CA ASP A 47 -9.652 -12.325 6.823 1.00 0.00 C ATOM 692 C ASP A 47 -9.216 -11.452 5.651 1.00 0.00 C ATOM 693 O ASP A 47 -9.954 -10.570 5.213 1.00 0.00 O ATOM 694 CB ASP A 47 -10.961 -13.038 6.484 1.00 0.00 C ATOM 695 CG ASP A 47 -11.512 -13.827 7.656 1.00 0.00 C ATOM 696 OD1 ASP A 47 -12.223 -13.230 8.492 1.00 0.00 O ATOM 697 OD2 ASP A 47 -11.232 -15.041 7.738 1.00 0.00 O ATOM 0 H ASP A 47 -10.768 -11.464 8.376 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.878 -13.070 7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.700 -12.303 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.797 -13.711 5.642 1.00 0.00 H new ATOM 702 N TRP A 48 -8.012 -11.703 5.149 1.00 0.00 N ATOM 703 CA TRP A 48 -7.477 -10.939 4.028 1.00 0.00 C ATOM 704 C TRP A 48 -8.488 -10.862 2.889 1.00 0.00 C ATOM 705 O TRP A 48 -8.938 -9.778 2.517 1.00 0.00 O ATOM 706 CB TRP A 48 -6.175 -11.570 3.529 1.00 0.00 C ATOM 707 CG TRP A 48 -5.556 -10.827 2.385 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.197 -11.342 1.172 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.220 -9.436 2.348 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.658 -10.354 0.383 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.662 -9.175 1.081 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.339 -8.384 3.260 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.224 -7.908 0.707 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.903 -7.127 2.888 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.352 -6.897 1.620 1.00 0.00 C ATOM 0 H TRP A 48 -7.388 -12.429 5.500 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.272 -9.926 4.376 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.462 -11.614 4.352 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.372 -12.597 3.222 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.319 -12.374 0.876 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.311 -10.478 -0.568 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.764 -8.551 4.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.798 -7.729 -0.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.988 -6.308 3.586 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.022 -5.902 1.358 1.00 0.00 H new ATOM 726 N THR A 49 -8.842 -12.019 2.339 1.00 0.00 N ATOM 727 CA THR A 49 -9.800 -12.082 1.242 1.00 0.00 C ATOM 728 C THR A 49 -10.999 -11.180 1.507 1.00 0.00 C ATOM 729 O THR A 49 -11.681 -10.747 0.578 1.00 0.00 O ATOM 730 CB THR A 49 -10.295 -13.522 1.011 1.00 0.00 C ATOM 731 OG1 THR A 49 -9.269 -14.456 1.363 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.700 -13.729 -0.441 1.00 0.00 C ATOM 0 H THR A 49 -8.480 -12.925 2.635 1.00 0.00 H new ATOM 0 HA THR A 49 -9.281 -11.737 0.348 1.00 0.00 H new ATOM 0 HB THR A 49 -11.168 -13.688 1.642 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.593 -15.369 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.046 -14.753 -0.580 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.502 -13.037 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.842 -13.545 -1.088 1.00 0.00 H new ATOM 740 N THR A 50 -11.253 -10.900 2.782 1.00 0.00 N ATOM 741 CA THR A 50 -12.371 -10.049 3.169 1.00 0.00 C ATOM 742 C THR A 50 -11.927 -8.601 3.342 1.00 0.00 C ATOM 743 O THR A 50 -12.672 -7.672 3.032 1.00 0.00 O ATOM 744 CB THR A 50 -13.019 -10.535 4.479 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.605 -11.828 4.286 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.084 -9.557 4.952 1.00 0.00 C ATOM 0 H THR A 50 -10.699 -11.250 3.564 1.00 0.00 H new ATOM 0 HA THR A 50 -13.105 -10.107 2.365 1.00 0.00 H new ATOM 0 HB THR A 50 -12.242 -10.598 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.013 -12.130 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.527 -9.922 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.630 -8.581 5.126 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.859 -9.466 4.190 1.00 0.00 H new ATOM 754 N ARG A 51 -10.708 -8.417 3.839 1.00 0.00 N ATOM 755 CA ARG A 51 -10.164 -7.081 4.054 1.00 0.00 C ATOM 756 C ARG A 51 -9.794 -6.425 2.728 1.00 0.00 C ATOM 757 O ARG A 51 -10.229 -5.312 2.431 1.00 0.00 O ATOM 758 CB ARG A 51 -8.936 -7.148 4.963 1.00 0.00 C ATOM 759 CG ARG A 51 -8.322 -5.789 5.258 1.00 0.00 C ATOM 760 CD ARG A 51 -7.374 -5.851 6.446 1.00 0.00 C ATOM 761 NE ARG A 51 -6.553 -7.059 6.428 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.392 -7.167 7.063 1.00 0.00 C ATOM 763 NH1 ARG A 51 -4.918 -6.146 7.764 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.702 -8.299 6.999 1.00 0.00 N ATOM 0 H ARG A 51 -10.079 -9.176 4.100 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.932 -6.476 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.216 -7.623 5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.183 -7.784 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.783 -5.434 4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.113 -5.067 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.728 -4.973 6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.949 -5.817 7.371 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.890 -7.863 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.446 -5.275 7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.026 -6.232 8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.064 -9.087 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.810 -8.381 7.487 1.00 0.00 H new ATOM 778 N VAL A 52 -8.988 -7.122 1.933 1.00 0.00 N ATOM 779 CA VAL A 52 -8.559 -6.608 0.638 1.00 0.00 C ATOM 780 C VAL A 52 -9.737 -6.040 -0.145 1.00 0.00 C ATOM 781 O VAL A 52 -9.574 -5.138 -0.967 1.00 0.00 O ATOM 782 CB VAL A 52 -7.878 -7.704 -0.203 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.871 -8.800 -0.557 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.262 -7.105 -1.459 1.00 0.00 C ATOM 0 H VAL A 52 -8.619 -8.045 2.164 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.840 -5.813 0.835 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.079 -8.149 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.372 -9.565 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.260 -9.247 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.694 -8.374 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.785 -7.893 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.041 -6.633 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.518 -6.359 -1.179 1.00 0.00 H new ATOM 794 N LYS A 53 -10.926 -6.573 0.115 1.00 0.00 N ATOM 795 CA LYS A 53 -12.134 -6.120 -0.563 1.00 0.00 C ATOM 796 C LYS A 53 -12.497 -4.701 -0.137 1.00 0.00 C ATOM 797 O LYS A 53 -12.984 -3.907 -0.942 1.00 0.00 O ATOM 798 CB LYS A 53 -13.298 -7.067 -0.263 1.00 0.00 C ATOM 799 CG LYS A 53 -13.120 -8.455 -0.852 1.00 0.00 C ATOM 800 CD LYS A 53 -14.212 -9.403 -0.386 1.00 0.00 C ATOM 801 CE LYS A 53 -14.430 -10.534 -1.379 1.00 0.00 C ATOM 802 NZ LYS A 53 -15.364 -10.141 -2.470 1.00 0.00 N ATOM 0 H LYS A 53 -11.079 -7.321 0.792 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.940 -6.121 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.417 -7.152 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.219 -6.632 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.130 -8.393 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.146 -8.851 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.945 -9.817 0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.142 -8.851 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.473 -10.829 -1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.827 -11.404 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.487 -10.939 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.285 -9.883 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.973 -9.326 -2.985 1.00 0.00 H new ATOM 816 N GLN A 54 -12.255 -4.388 1.132 1.00 0.00 N ATOM 817 CA GLN A 54 -12.556 -3.064 1.663 1.00 0.00 C ATOM 818 C GLN A 54 -11.626 -2.013 1.064 1.00 0.00 C ATOM 819 O GLN A 54 -12.080 -1.050 0.445 1.00 0.00 O ATOM 820 CB GLN A 54 -12.431 -3.062 3.187 1.00 0.00 C ATOM 821 CG GLN A 54 -13.328 -4.081 3.872 1.00 0.00 C ATOM 822 CD GLN A 54 -14.715 -3.538 4.158 1.00 0.00 C ATOM 823 OE1 GLN A 54 -14.775 -2.368 4.783 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.720 -4.164 3.823 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.851 -5.033 1.811 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.581 -2.815 1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.394 -3.262 3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.673 -2.067 3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.411 -4.967 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.865 -4.396 4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.627 -5.060 3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.646 -3.787 4.024 1.00 0.00 H new ATOM 833 N ILE A 55 -10.325 -2.205 1.251 1.00 0.00 N ATOM 834 CA ILE A 55 -9.333 -1.274 0.729 1.00 0.00 C ATOM 835 C ILE A 55 -9.706 -0.803 -0.673 1.00 0.00 C ATOM 836 O ILE A 55 -9.447 0.342 -1.043 1.00 0.00 O ATOM 837 CB ILE A 55 -7.931 -1.910 0.688 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.496 -2.329 2.094 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.926 -0.940 0.084 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.295 -3.249 2.107 1.00 0.00 C ATOM 0 H ILE A 55 -9.933 -2.997 1.760 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.316 -0.419 1.405 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.970 -2.800 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.266 -1.436 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.330 -2.826 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.940 -1.404 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.230 -0.686 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.887 -0.034 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.043 -3.504 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.528 -4.159 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.447 -2.747 1.640 1.00 0.00 H new ATOM 852 N ALA A 56 -10.316 -1.693 -1.448 1.00 0.00 N ATOM 853 CA ALA A 56 -10.729 -1.367 -2.807 1.00 0.00 C ATOM 854 C ALA A 56 -11.875 -0.362 -2.807 1.00 0.00 C ATOM 855 O ALA A 56 -11.782 0.702 -3.420 1.00 0.00 O ATOM 856 CB ALA A 56 -11.132 -2.630 -3.553 1.00 0.00 C ATOM 0 H ALA A 56 -10.535 -2.646 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.881 -0.911 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.438 -2.372 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.285 -3.315 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.962 -3.110 -3.034 1.00 0.00 H new ATOM 862 N LYS A 57 -12.957 -0.705 -2.116 1.00 0.00 N ATOM 863 CA LYS A 57 -14.122 0.168 -2.035 1.00 0.00 C ATOM 864 C LYS A 57 -13.754 1.512 -1.414 1.00 0.00 C ATOM 865 O LYS A 57 -14.113 2.568 -1.937 1.00 0.00 O ATOM 866 CB LYS A 57 -15.228 -0.499 -1.213 1.00 0.00 C ATOM 867 CG LYS A 57 -15.130 -0.221 0.277 1.00 0.00 C ATOM 868 CD LYS A 57 -16.338 -0.761 1.025 1.00 0.00 C ATOM 869 CE LYS A 57 -16.208 -0.541 2.525 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.536 -0.380 3.178 1.00 0.00 N ATOM 0 H LYS A 57 -13.051 -1.582 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.484 0.343 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.197 -0.154 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.191 -1.576 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.222 -0.675 0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.048 0.853 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.241 -0.272 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.448 -1.826 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.683 -1.385 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.602 0.346 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.405 -0.232 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.027 0.441 2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.105 -1.236 3.022 1.00 0.00 H new ATOM 884 N LEU A 58 -13.035 1.466 -0.299 1.00 0.00 N ATOM 885 CA LEU A 58 -12.616 2.680 0.392 1.00 0.00 C ATOM 886 C LEU A 58 -11.758 3.555 -0.516 1.00 0.00 C ATOM 887 O LEU A 58 -11.800 4.783 -0.432 1.00 0.00 O ATOM 888 CB LEU A 58 -11.838 2.326 1.661 1.00 0.00 C ATOM 889 CG LEU A 58 -12.614 1.560 2.733 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.668 1.026 3.797 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.678 2.450 3.359 1.00 0.00 C ATOM 0 H LEU A 58 -12.730 0.601 0.146 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.511 3.239 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.969 1.733 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.463 3.249 2.103 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.111 0.713 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.238 0.484 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.944 0.354 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.143 1.857 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.220 1.889 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.203 3.317 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.374 2.783 2.588 1.00 0.00 H new ATOM 903 N TRP A 59 -10.983 2.916 -1.385 1.00 0.00 N ATOM 904 CA TRP A 59 -10.117 3.637 -2.311 1.00 0.00 C ATOM 905 C TRP A 59 -10.920 4.208 -3.474 1.00 0.00 C ATOM 906 O TRP A 59 -10.746 5.367 -3.850 1.00 0.00 O ATOM 907 CB TRP A 59 -9.019 2.712 -2.839 1.00 0.00 C ATOM 908 CG TRP A 59 -8.156 3.351 -3.885 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.213 3.143 -5.233 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.107 4.301 -3.667 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.262 3.906 -5.867 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.571 4.626 -4.928 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.570 4.910 -2.530 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.524 5.531 -5.081 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.531 5.808 -2.683 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.017 6.112 -3.951 1.00 0.00 C ATOM 0 H TRP A 59 -10.936 1.900 -1.468 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.657 4.464 -1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.392 2.392 -2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.478 1.815 -3.255 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.904 2.477 -5.728 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.097 3.932 -6.873 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.960 4.683 -1.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.126 5.766 -6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.108 6.284 -1.811 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.205 6.819 -4.038 1.00 0.00 H new ATOM 927 N ARG A 60 -11.800 3.388 -4.040 1.00 0.00 N ATOM 928 CA ARG A 60 -12.629 3.813 -5.162 1.00 0.00 C ATOM 929 C ARG A 60 -13.414 5.073 -4.811 1.00 0.00 C ATOM 930 O ARG A 60 -13.356 6.073 -5.526 1.00 0.00 O ATOM 931 CB ARG A 60 -13.593 2.694 -5.564 1.00 0.00 C ATOM 932 CG ARG A 60 -12.919 1.543 -6.292 1.00 0.00 C ATOM 933 CD ARG A 60 -13.891 0.822 -7.213 1.00 0.00 C ATOM 934 NE ARG A 60 -13.984 1.464 -8.521 1.00 0.00 N ATOM 935 CZ ARG A 60 -15.022 1.320 -9.338 1.00 0.00 C ATOM 936 NH1 ARG A 60 -16.049 0.561 -8.983 1.00 0.00 N ATOM 937 NH2 ARG A 60 -15.034 1.937 -10.513 1.00 0.00 N ATOM 0 H ARG A 60 -11.957 2.426 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.972 4.037 -6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.084 2.310 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.373 3.109 -6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.078 1.921 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.514 0.839 -5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.572 -0.212 -7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.878 0.797 -6.751 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.210 2.055 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.044 0.086 -8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.844 0.452 -9.612 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.246 2.522 -10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.831 1.826 -11.139 1.00 0.00 H new ATOM 951 N LYS A 61 -14.148 5.018 -3.704 1.00 0.00 N ATOM 952 CA LYS A 61 -14.945 6.154 -3.257 1.00 0.00 C ATOM 953 C LYS A 61 -14.137 7.446 -3.326 1.00 0.00 C ATOM 954 O LYS A 61 -14.686 8.520 -3.570 1.00 0.00 O ATOM 955 CB LYS A 61 -15.438 5.925 -1.826 1.00 0.00 C ATOM 956 CG LYS A 61 -14.411 6.278 -0.765 1.00 0.00 C ATOM 957 CD LYS A 61 -14.593 5.438 0.488 1.00 0.00 C ATOM 958 CE LYS A 61 -15.540 6.105 1.474 1.00 0.00 C ATOM 959 NZ LYS A 61 -15.283 5.667 2.874 1.00 0.00 N ATOM 0 H LYS A 61 -14.207 4.198 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.804 6.247 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.337 6.519 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.721 4.879 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.408 6.126 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.497 7.335 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.981 4.457 0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.625 5.277 0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.431 7.187 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.570 5.871 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.949 6.144 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.412 4.637 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.309 5.913 3.141 1.00 0.00 H new ATOM 973 N ALA A 62 -12.830 7.334 -3.113 1.00 0.00 N ATOM 974 CA ALA A 62 -11.947 8.493 -3.155 1.00 0.00 C ATOM 975 C ALA A 62 -11.802 9.021 -4.578 1.00 0.00 C ATOM 976 O ALA A 62 -11.676 8.248 -5.527 1.00 0.00 O ATOM 977 CB ALA A 62 -10.583 8.138 -2.580 1.00 0.00 C ATOM 0 H ALA A 62 -12.359 6.452 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.392 9.281 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.934 9.013 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.697 7.815 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.140 7.332 -3.165 1.00 0.00 H new ATOM 983 N SER A 63 -11.821 10.343 -4.718 1.00 0.00 N ATOM 984 CA SER A 63 -11.696 10.974 -6.027 1.00 0.00 C ATOM 985 C SER A 63 -10.230 11.195 -6.386 1.00 0.00 C ATOM 986 O SER A 63 -9.373 11.295 -5.508 1.00 0.00 O ATOM 987 CB SER A 63 -12.444 12.309 -6.046 1.00 0.00 C ATOM 988 OG SER A 63 -13.804 12.126 -6.398 1.00 0.00 O ATOM 0 H SER A 63 -11.922 10.997 -3.942 1.00 0.00 H new ATOM 0 HA SER A 63 -12.137 10.307 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.379 12.780 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.969 12.986 -6.756 1.00 0.00 H new ATOM 0 HG SER A 63 -14.261 12.993 -6.401 1.00 0.00 H new ATOM 994 N SER A 64 -9.950 11.269 -7.683 1.00 0.00 N ATOM 995 CA SER A 64 -8.587 11.474 -8.160 1.00 0.00 C ATOM 996 C SER A 64 -7.878 12.543 -7.335 1.00 0.00 C ATOM 997 O SER A 64 -6.816 12.298 -6.764 1.00 0.00 O ATOM 998 CB SER A 64 -8.596 11.876 -9.636 1.00 0.00 C ATOM 999 OG SER A 64 -9.567 11.139 -10.359 1.00 0.00 O ATOM 0 H SER A 64 -10.648 11.190 -8.422 1.00 0.00 H new ATOM 0 HA SER A 64 -8.045 10.535 -8.050 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.804 12.942 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.610 11.707 -10.068 1.00 0.00 H new ATOM 0 HG SER A 64 -9.554 11.415 -11.299 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.473 13.730 -7.279 1.00 0.00 N ATOM 1006 CA GLN A 65 -7.898 14.838 -6.524 1.00 0.00 C ATOM 1007 C GLN A 65 -7.540 14.403 -5.107 1.00 0.00 C ATOM 1008 O GLN A 65 -6.632 14.957 -4.489 1.00 0.00 O ATOM 1009 CB GLN A 65 -8.875 16.014 -6.479 1.00 0.00 C ATOM 1010 CG GLN A 65 -8.193 17.371 -6.438 1.00 0.00 C ATOM 1011 CD GLN A 65 -8.010 17.975 -7.816 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -7.208 17.321 -8.648 1.00 0.00 O flip ATOM 1013 NE2 GLN A 65 -8.584 19.018 -8.130 1.00 0.00 N flip ATOM 0 H GLN A 65 -9.352 13.950 -7.747 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.985 15.154 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.524 15.969 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.514 15.911 -5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.783 18.051 -5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.220 17.270 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.192 19.488 -7.459 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.452 19.412 -9.061 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.262 13.409 -4.598 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.021 12.903 -3.252 1.00 0.00 C ATOM 1024 C GLU A 66 -6.858 11.915 -3.243 1.00 0.00 C ATOM 1025 O GLU A 66 -6.054 11.894 -2.311 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.280 12.229 -2.703 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.275 12.068 -1.193 1.00 0.00 C ATOM 1028 CD GLU A 66 -10.669 12.104 -0.597 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -11.617 11.660 -1.278 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -10.811 12.576 0.550 1.00 0.00 O ATOM 0 H GLU A 66 -9.017 12.939 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.763 13.749 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.152 12.815 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.387 11.247 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.798 11.123 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.674 12.861 -0.749 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.776 11.097 -4.288 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.713 10.105 -4.400 1.00 0.00 C ATOM 1039 C ARG A 67 -4.413 10.752 -4.869 1.00 0.00 C ATOM 1040 O ARG A 67 -3.331 10.194 -4.692 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.122 8.996 -5.371 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.568 8.555 -5.217 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.106 7.949 -6.504 1.00 0.00 C ATOM 1044 NE ARG A 67 -9.398 7.297 -6.304 1.00 0.00 N ATOM 1045 CZ ARG A 67 -9.968 6.505 -7.205 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -9.364 6.267 -8.361 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -11.145 5.947 -6.950 1.00 0.00 N ATOM 0 H ARG A 67 -7.433 11.102 -5.069 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.548 9.672 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.963 9.342 -6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.470 8.135 -5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.643 7.825 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.182 9.409 -4.932 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.207 8.730 -7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.390 7.224 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.889 7.459 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.459 6.693 -8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.805 5.658 -9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.613 6.126 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.582 5.339 -7.643 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.528 11.932 -5.469 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.363 12.656 -5.962 1.00 0.00 C ATOM 1063 C ALA A 68 -2.147 12.408 -5.076 1.00 0.00 C ATOM 1064 O ALA A 68 -1.108 11.927 -5.527 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.663 14.145 -6.046 1.00 0.00 C ATOM 0 H ALA A 68 -5.417 12.407 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.133 12.287 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.784 14.673 -6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.498 14.310 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.922 14.520 -5.056 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.278 12.745 -3.784 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.199 12.568 -2.807 1.00 0.00 C ATOM 1073 C PRO A 69 -0.932 11.098 -2.499 1.00 0.00 C ATOM 1074 O PRO A 69 0.208 10.638 -2.562 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.726 13.288 -1.563 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.209 13.249 -1.702 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.489 13.323 -3.177 1.00 0.00 C ATOM 0 HA PRO A 69 -0.249 12.959 -3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.401 12.790 -0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.360 14.313 -1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.617 12.334 -1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.672 14.083 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.382 12.758 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.651 14.350 -3.504 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.989 10.367 -2.165 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.868 8.949 -1.845 1.00 0.00 C ATOM 1087 C TYR A 70 -1.299 8.171 -3.027 1.00 0.00 C ATOM 1088 O TYR A 70 -0.859 7.030 -2.881 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.230 8.376 -1.451 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.870 9.086 -0.280 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.348 8.963 1.002 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.997 9.880 -0.455 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.930 9.610 2.076 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.584 10.532 0.612 1.00 0.00 C ATOM 1095 CZ TYR A 70 -5.047 10.394 1.875 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.631 11.040 2.941 1.00 0.00 O ATOM 0 H TYR A 70 -2.940 10.732 -2.109 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.182 8.849 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.900 8.432 -2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.113 7.320 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.472 8.351 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.421 9.989 -1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.513 9.502 3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.459 11.147 0.458 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.407 11.551 2.629 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.310 8.796 -4.200 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.794 8.165 -5.409 1.00 0.00 C ATOM 1108 C VAL A 71 0.709 8.383 -5.544 1.00 0.00 C ATOM 1109 O VAL A 71 1.450 7.464 -5.892 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.495 8.706 -6.668 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -0.892 8.090 -7.922 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -2.992 8.439 -6.600 1.00 0.00 C ATOM 0 H VAL A 71 -1.671 9.740 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.997 7.098 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.342 9.784 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.400 8.484 -8.802 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.168 8.337 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.012 7.007 -7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.472 8.828 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.167 7.365 -6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.410 8.932 -5.722 1.00 0.00 H new ATOM 1122 N GLN A 72 1.151 9.605 -5.265 1.00 0.00 N ATOM 1123 CA GLN A 72 2.567 9.944 -5.356 1.00 0.00 C ATOM 1124 C GLN A 72 3.338 9.382 -4.166 1.00 0.00 C ATOM 1125 O GLN A 72 4.383 8.752 -4.332 1.00 0.00 O ATOM 1126 CB GLN A 72 2.746 11.461 -5.425 1.00 0.00 C ATOM 1127 CG GLN A 72 4.166 11.920 -5.135 1.00 0.00 C ATOM 1128 CD GLN A 72 5.149 11.487 -6.205 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.293 12.146 -7.235 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.832 10.374 -5.966 1.00 0.00 N ATOM 0 H GLN A 72 0.550 10.376 -4.974 1.00 0.00 H new ATOM 0 HA GLN A 72 2.965 9.497 -6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.456 11.808 -6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.068 11.931 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.182 13.007 -5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.484 11.520 -4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.681 9.859 -5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.508 10.034 -6.650 1.00 0.00 H new ATOM 1139 N LYS A 73 2.818 9.615 -2.966 1.00 0.00 N ATOM 1140 CA LYS A 73 3.456 9.132 -1.748 1.00 0.00 C ATOM 1141 C LYS A 73 3.850 7.665 -1.885 1.00 0.00 C ATOM 1142 O LYS A 73 4.998 7.295 -1.638 1.00 0.00 O ATOM 1143 CB LYS A 73 2.519 9.310 -0.551 1.00 0.00 C ATOM 1144 CG LYS A 73 3.199 9.100 0.790 1.00 0.00 C ATOM 1145 CD LYS A 73 2.446 9.797 1.912 1.00 0.00 C ATOM 1146 CE LYS A 73 2.813 9.222 3.271 1.00 0.00 C ATOM 1147 NZ LYS A 73 2.536 10.183 4.374 1.00 0.00 N ATOM 0 H LYS A 73 1.955 10.136 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 73 4.360 9.719 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.093 10.313 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.690 8.609 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.265 8.033 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.220 9.480 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.670 10.864 1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.373 9.694 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.251 8.303 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.870 8.955 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.800 9.753 5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.091 11.050 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.523 10.418 4.383 1.00 0.00 H new ATOM 1161 N ALA A 74 2.892 6.834 -2.281 1.00 0.00 N ATOM 1162 CA ALA A 74 3.140 5.408 -2.454 1.00 0.00 C ATOM 1163 C ALA A 74 4.418 5.166 -3.250 1.00 0.00 C ATOM 1164 O ALA A 74 5.239 4.325 -2.884 1.00 0.00 O ATOM 1165 CB ALA A 74 1.955 4.745 -3.141 1.00 0.00 C ATOM 0 H ALA A 74 1.936 7.124 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 74 3.268 4.965 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.154 3.680 -3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.060 4.879 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.800 5.200 -4.119 1.00 0.00 H new ATOM 1171 N ARG A 75 4.580 5.908 -4.341 1.00 0.00 N ATOM 1172 CA ARG A 75 5.757 5.773 -5.190 1.00 0.00 C ATOM 1173 C ARG A 75 7.022 6.166 -4.433 1.00 0.00 C ATOM 1174 O ARG A 75 8.019 5.444 -4.451 1.00 0.00 O ATOM 1175 CB ARG A 75 5.611 6.637 -6.444 1.00 0.00 C ATOM 1176 CG ARG A 75 4.281 6.456 -7.157 1.00 0.00 C ATOM 1177 CD ARG A 75 3.896 7.699 -7.943 1.00 0.00 C ATOM 1178 NE ARG A 75 4.408 7.663 -9.310 1.00 0.00 N ATOM 1179 CZ ARG A 75 3.859 6.941 -10.281 1.00 0.00 C ATOM 1180 NH1 ARG A 75 2.788 6.200 -10.036 1.00 0.00 N ATOM 1181 NH2 ARG A 75 4.383 6.960 -11.500 1.00 0.00 N ATOM 0 H ARG A 75 3.910 6.609 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 75 5.841 4.727 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.726 7.685 -6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.419 6.399 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.342 5.602 -7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.503 6.231 -6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.810 7.792 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.281 8.583 -7.435 1.00 0.00 H new ATOM 0 HE ARG A 75 5.232 8.222 -9.532 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.383 6.183 -9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.369 5.647 -10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.208 7.529 -11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.961 6.406 -12.245 1.00 0.00 H new ATOM 1195 N ASP A 76 6.973 7.315 -3.768 1.00 0.00 N ATOM 1196 CA ASP A 76 8.115 7.805 -3.003 1.00 0.00 C ATOM 1197 C ASP A 76 8.532 6.793 -1.941 1.00 0.00 C ATOM 1198 O ASP A 76 9.720 6.591 -1.695 1.00 0.00 O ATOM 1199 CB ASP A 76 7.778 9.144 -2.345 1.00 0.00 C ATOM 1200 CG ASP A 76 8.997 10.029 -2.176 1.00 0.00 C ATOM 1201 OD1 ASP A 76 10.050 9.513 -1.745 1.00 0.00 O ATOM 1202 OD2 ASP A 76 8.899 11.237 -2.477 1.00 0.00 O ATOM 0 H ASP A 76 6.156 7.925 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 76 8.948 7.947 -3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.035 9.665 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.326 8.963 -1.370 1.00 0.00 H new ATOM 1207 N ASN A 77 7.546 6.159 -1.315 1.00 0.00 N ATOM 1208 CA ASN A 77 7.811 5.169 -0.278 1.00 0.00 C ATOM 1209 C ASN A 77 8.750 4.082 -0.791 1.00 0.00 C ATOM 1210 O ASN A 77 9.578 3.559 -0.044 1.00 0.00 O ATOM 1211 CB ASN A 77 6.501 4.541 0.204 1.00 0.00 C ATOM 1212 CG ASN A 77 5.894 5.294 1.372 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.588 6.018 2.086 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.592 5.125 1.572 1.00 0.00 N ATOM 0 H ASN A 77 6.556 6.313 -1.508 1.00 0.00 H new ATOM 0 HA ASN A 77 8.293 5.676 0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.788 4.518 -0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.683 3.507 0.497 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.128 5.605 2.343 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.056 4.515 0.955 1.00 0.00 H new ATOM 1221 N ARG A 78 8.616 3.747 -2.070 1.00 0.00 N ATOM 1222 CA ARG A 78 9.452 2.722 -2.683 1.00 0.00 C ATOM 1223 C ARG A 78 10.908 3.175 -2.748 1.00 0.00 C ATOM 1224 O ARG A 78 11.823 2.399 -2.476 1.00 0.00 O ATOM 1225 CB ARG A 78 8.946 2.394 -4.089 1.00 0.00 C ATOM 1226 CG ARG A 78 7.678 1.556 -4.099 1.00 0.00 C ATOM 1227 CD ARG A 78 7.458 0.896 -5.451 1.00 0.00 C ATOM 1228 NE ARG A 78 8.088 -0.419 -5.527 1.00 0.00 N ATOM 1229 CZ ARG A 78 8.118 -1.157 -6.631 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.556 -0.711 -7.746 1.00 0.00 N ATOM 1231 NH2 ARG A 78 8.711 -2.344 -6.621 1.00 0.00 N ATOM 0 H ARG A 78 7.936 4.171 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 78 9.395 1.826 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.761 3.324 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.727 1.862 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.740 0.791 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.822 2.186 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.388 0.797 -5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.859 1.536 -6.237 1.00 0.00 H new ATOM 0 HE ARG A 78 8.529 -0.791 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.099 0.201 -7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.581 -1.280 -8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.144 -2.690 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.734 -2.910 -7.469 1.00 0.00 H new ATOM 1245 N ALA A 79 11.114 4.437 -3.111 1.00 0.00 N ATOM 1246 CA ALA A 79 12.457 4.994 -3.210 1.00 0.00 C ATOM 1247 C ALA A 79 13.160 4.979 -1.857 1.00 0.00 C ATOM 1248 O ALA A 79 14.299 4.528 -1.743 1.00 0.00 O ATOM 1249 CB ALA A 79 12.402 6.411 -3.762 1.00 0.00 C ATOM 0 H ALA A 79 10.367 5.093 -3.341 1.00 0.00 H new ATOM 0 HA ALA A 79 13.031 4.371 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.412 6.814 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.949 6.398 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.806 7.037 -3.098 1.00 0.00 H new ATOM 1255 N ALA A 80 12.472 5.475 -0.833 1.00 0.00 N ATOM 1256 CA ALA A 80 13.030 5.516 0.513 1.00 0.00 C ATOM 1257 C ALA A 80 13.742 4.211 0.853 1.00 0.00 C ATOM 1258 O ALA A 80 14.726 4.203 1.593 1.00 0.00 O ATOM 1259 CB ALA A 80 11.935 5.803 1.529 1.00 0.00 C ATOM 0 H ALA A 80 11.528 5.854 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 80 13.765 6.320 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.366 5.831 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.474 6.765 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.179 5.019 1.481 1.00 0.00 H new