USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 764 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 102 GLN : amide:sc= 0.426 K(o=1.1,f=-4.6!) USER MOD Set 1.2: A 103 ASN : amide:sc= -0.462 K(o=1.1,f=-0.27!) USER MOD Set 1.3: A 107 LYS NZ :NH3+ 174:sc= 1.15 (180deg=0) USER MOD Set 2.1: A 79 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 88 SER OG : rot 32:sc= 1.6 USER MOD Set 3.1: A 17 TYR OH : rot -159:sc= 1.31 USER MOD Set 3.2: A 64 TYR OH : rot 70:sc= 1.55 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 52:sc= 1.22 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -17:sc= 0.746 USER MOD Single : A 37 THR OG1 : rot 139:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 51 MET CE :methyl -167:sc= -0.617 (180deg=-0.931) USER MOD Single : A 58 GLN : amide:sc= -0.722 K(o=-0.72,f=0) USER MOD Single : A 62 MET CE :methyl -149:sc= -0.317 (180deg=-1.02) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 160:sc= 0.00207 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -5.94! C(o=-5.9!,f=-7.3!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 151:sc= 1.29 (180deg=1.15) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.13) USER MOD Single : A 95 ASN : amide:sc= -0.985 K(o=-0.99,f=-0.42) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00304 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -120:sc= 0.988 USER MOD Single : A 109 MET CE :methyl 147:sc= -3.64! (180deg=-6.63!) USER MOD Single : A 110 THR OG1 : rot 126:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 7.251 14.029 -13.157 1.00 0.00 N ATOM 205 CA THR A 14 7.495 12.892 -12.278 1.00 0.00 C ATOM 206 C THR A 14 6.221 12.432 -11.553 1.00 0.00 C ATOM 207 O THR A 14 5.476 13.244 -11.002 1.00 0.00 O ATOM 208 CB THR A 14 8.601 13.253 -11.280 1.00 0.00 C ATOM 209 OG1 THR A 14 9.874 13.261 -11.943 1.00 0.00 O ATOM 210 CG2 THR A 14 8.642 12.305 -10.086 1.00 0.00 C ATOM 0 HA THR A 14 7.819 12.050 -12.890 1.00 0.00 H new ATOM 0 HB THR A 14 8.376 14.248 -10.894 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.576 13.494 -11.300 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.443 12.605 -9.410 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.689 12.343 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.824 11.288 -10.435 1.00 0.00 H new ATOM 218 N PRO A 15 5.933 11.115 -11.584 1.00 0.00 N ATOM 219 CA PRO A 15 4.766 10.543 -10.899 1.00 0.00 C ATOM 220 C PRO A 15 4.775 10.863 -9.408 1.00 0.00 C ATOM 221 O PRO A 15 5.710 10.497 -8.691 1.00 0.00 O ATOM 222 CB PRO A 15 4.908 9.035 -11.127 1.00 0.00 C ATOM 223 CG PRO A 15 5.779 8.910 -12.331 1.00 0.00 C ATOM 224 CD PRO A 15 6.715 10.085 -12.293 1.00 0.00 C ATOM 0 HA PRO A 15 3.828 10.948 -11.280 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.356 8.545 -10.263 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.937 8.567 -11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.332 7.971 -12.316 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.184 8.915 -13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.639 9.847 -11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.994 10.410 -13.295 1.00 0.00 H new ATOM 232 N PHE A 16 3.724 11.530 -8.943 1.00 0.00 N ATOM 233 CA PHE A 16 3.685 12.042 -7.574 1.00 0.00 C ATOM 234 C PHE A 16 3.572 10.917 -6.545 1.00 0.00 C ATOM 235 O PHE A 16 3.805 11.133 -5.358 1.00 0.00 O ATOM 236 CB PHE A 16 2.528 13.041 -7.396 1.00 0.00 C ATOM 237 CG PHE A 16 1.152 12.450 -7.587 1.00 0.00 C ATOM 238 CD1 PHE A 16 0.479 11.868 -6.523 1.00 0.00 C ATOM 239 CD2 PHE A 16 0.535 12.481 -8.826 1.00 0.00 C ATOM 240 CE1 PHE A 16 -0.779 11.325 -6.695 1.00 0.00 C ATOM 241 CE2 PHE A 16 -0.723 11.938 -9.004 1.00 0.00 C ATOM 242 CZ PHE A 16 -1.381 11.359 -7.936 1.00 0.00 C ATOM 0 H PHE A 16 2.888 11.730 -9.492 1.00 0.00 H new ATOM 0 HA PHE A 16 4.629 12.558 -7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.588 13.472 -6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.659 13.859 -8.105 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.944 11.839 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.043 12.935 -9.664 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.292 10.874 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.191 11.966 -9.977 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.364 10.934 -8.072 1.00 0.00 H new ATOM 252 N TYR A 17 3.217 9.723 -6.994 1.00 0.00 N ATOM 253 CA TYR A 17 3.048 8.604 -6.087 1.00 0.00 C ATOM 254 C TYR A 17 4.293 7.721 -6.067 1.00 0.00 C ATOM 255 O TYR A 17 4.389 6.788 -5.273 1.00 0.00 O ATOM 256 CB TYR A 17 1.825 7.778 -6.502 1.00 0.00 C ATOM 257 CG TYR A 17 2.097 6.728 -7.564 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.163 7.062 -8.910 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.285 5.395 -7.211 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.407 6.099 -9.874 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.530 4.428 -8.168 1.00 0.00 C ATOM 262 CZ TYR A 17 2.591 4.784 -9.497 1.00 0.00 C ATOM 263 OH TYR A 17 2.833 3.822 -10.453 1.00 0.00 O ATOM 0 H TYR A 17 3.042 9.507 -7.975 1.00 0.00 H new ATOM 0 HA TYR A 17 2.895 8.997 -5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.420 7.285 -5.618 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.054 8.455 -6.870 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.022 8.090 -9.210 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.239 5.111 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.453 6.375 -10.917 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.673 3.398 -7.875 1.00 0.00 H new ATOM 0 HH TYR A 17 2.609 2.939 -10.092 1.00 0.00 H new ATOM 273 N TYR A 18 5.250 8.024 -6.929 1.00 0.00 N ATOM 274 CA TYR A 18 6.390 7.141 -7.119 1.00 0.00 C ATOM 275 C TYR A 18 7.478 7.426 -6.095 1.00 0.00 C ATOM 276 O TYR A 18 7.799 8.578 -5.819 1.00 0.00 O ATOM 277 CB TYR A 18 6.944 7.283 -8.537 1.00 0.00 C ATOM 278 CG TYR A 18 7.849 6.146 -8.946 1.00 0.00 C ATOM 279 CD1 TYR A 18 7.323 4.889 -9.205 1.00 0.00 C ATOM 280 CD2 TYR A 18 9.220 6.323 -9.067 1.00 0.00 C ATOM 281 CE1 TYR A 18 8.135 3.838 -9.576 1.00 0.00 C ATOM 282 CE2 TYR A 18 10.042 5.275 -9.438 1.00 0.00 C ATOM 283 CZ TYR A 18 9.495 4.035 -9.692 1.00 0.00 C ATOM 284 OH TYR A 18 10.309 2.985 -10.054 1.00 0.00 O ATOM 0 H TYR A 18 5.261 8.867 -7.504 1.00 0.00 H new ATOM 0 HA TYR A 18 6.050 6.115 -6.976 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.112 7.346 -9.239 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.495 8.220 -8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.259 4.731 -9.114 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.651 7.293 -8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.708 2.866 -9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.107 5.427 -9.528 1.00 0.00 H new ATOM 0 HH TYR A 18 9.962 2.568 -10.870 1.00 0.00 H new ATOM 294 N GLY A 19 8.039 6.363 -5.539 1.00 0.00 N ATOM 295 CA GLY A 19 9.085 6.506 -4.549 1.00 0.00 C ATOM 296 C GLY A 19 8.875 5.588 -3.365 1.00 0.00 C ATOM 297 O GLY A 19 8.419 4.452 -3.524 1.00 0.00 O ATOM 0 H GLY A 19 7.787 5.399 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.050 6.291 -5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.119 7.540 -4.205 1.00 0.00 H new ATOM 301 N THR A 20 9.211 6.074 -2.184 1.00 0.00 N ATOM 302 CA THR A 20 9.032 5.313 -0.963 1.00 0.00 C ATOM 303 C THR A 20 8.261 6.148 0.051 1.00 0.00 C ATOM 304 O THR A 20 8.645 7.278 0.352 1.00 0.00 O ATOM 305 CB THR A 20 10.391 4.907 -0.364 1.00 0.00 C ATOM 306 OG1 THR A 20 11.234 4.367 -1.388 1.00 0.00 O ATOM 307 CG2 THR A 20 10.214 3.880 0.745 1.00 0.00 C ATOM 0 H THR A 20 9.613 7.001 -2.045 1.00 0.00 H new ATOM 0 HA THR A 20 8.473 4.408 -1.201 1.00 0.00 H new ATOM 0 HB THR A 20 10.855 5.798 0.060 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.097 4.112 -1.000 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.189 3.611 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.596 4.303 1.537 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.730 2.990 0.343 1.00 0.00 H new ATOM 315 N TRP A 21 7.175 5.599 0.571 1.00 0.00 N ATOM 316 CA TRP A 21 6.316 6.348 1.474 1.00 0.00 C ATOM 317 C TRP A 21 6.259 5.705 2.849 1.00 0.00 C ATOM 318 O TRP A 21 6.194 4.481 2.978 1.00 0.00 O ATOM 319 CB TRP A 21 4.910 6.461 0.894 1.00 0.00 C ATOM 320 CG TRP A 21 4.876 7.153 -0.435 1.00 0.00 C ATOM 321 CD1 TRP A 21 4.873 6.563 -1.664 1.00 0.00 C ATOM 322 CD2 TRP A 21 4.851 8.565 -0.666 1.00 0.00 C ATOM 323 NE1 TRP A 21 4.850 7.521 -2.645 1.00 0.00 N ATOM 324 CE2 TRP A 21 4.837 8.759 -2.060 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.835 9.683 0.170 1.00 0.00 C ATOM 326 CZ2 TRP A 21 4.812 10.028 -2.634 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.812 10.941 -0.401 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.799 11.105 -1.790 1.00 0.00 C ATOM 0 H TRP A 21 6.869 4.644 0.385 1.00 0.00 H new ATOM 0 HA TRP A 21 6.741 7.345 1.585 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.486 5.463 0.788 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.276 7.004 1.596 1.00 0.00 H new ATOM 0 HD1 TRP A 21 4.887 5.497 -1.839 1.00 0.00 H new ATOM 0 HE1 TRP A 21 4.844 7.340 -3.649 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.841 9.567 1.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.803 10.157 -3.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.804 11.813 0.236 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.778 12.102 -2.205 1.00 0.00 H new ATOM 339 N ASP A 22 6.297 6.549 3.866 1.00 0.00 N ATOM 340 CA ASP A 22 6.215 6.116 5.256 1.00 0.00 C ATOM 341 C ASP A 22 4.768 5.917 5.695 1.00 0.00 C ATOM 342 O ASP A 22 3.934 6.817 5.547 1.00 0.00 O ATOM 343 CB ASP A 22 6.895 7.153 6.157 1.00 0.00 C ATOM 344 CG ASP A 22 6.510 7.020 7.619 1.00 0.00 C ATOM 345 OD1 ASP A 22 7.058 6.130 8.304 1.00 0.00 O ATOM 346 OD2 ASP A 22 5.673 7.817 8.089 1.00 0.00 O ATOM 0 H ASP A 22 6.386 7.559 3.753 1.00 0.00 H new ATOM 0 HA ASP A 22 6.726 5.157 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.976 7.053 6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.635 8.153 5.809 1.00 0.00 H new ATOM 351 N GLU A 23 4.472 4.736 6.227 1.00 0.00 N ATOM 352 CA GLU A 23 3.171 4.466 6.817 1.00 0.00 C ATOM 353 C GLU A 23 3.210 4.809 8.300 1.00 0.00 C ATOM 354 O GLU A 23 3.278 3.927 9.161 1.00 0.00 O ATOM 355 CB GLU A 23 2.753 3.004 6.628 1.00 0.00 C ATOM 356 CG GLU A 23 2.520 2.599 5.181 1.00 0.00 C ATOM 357 CD GLU A 23 1.957 1.195 5.065 1.00 0.00 C ATOM 358 OE1 GLU A 23 0.772 0.996 5.414 1.00 0.00 O ATOM 359 OE2 GLU A 23 2.695 0.287 4.631 1.00 0.00 O ATOM 0 H GLU A 23 5.120 3.949 6.260 1.00 0.00 H new ATOM 0 HA GLU A 23 2.432 5.086 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.524 2.361 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.839 2.824 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.833 3.304 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.460 2.659 4.632 1.00 0.00 H new ATOM 366 N GLY A 24 3.235 6.100 8.585 1.00 0.00 N ATOM 367 CA GLY A 24 3.259 6.557 9.957 1.00 0.00 C ATOM 368 C GLY A 24 1.870 6.707 10.535 1.00 0.00 C ATOM 369 O GLY A 24 1.698 6.784 11.753 1.00 0.00 O ATOM 0 H GLY A 24 3.239 6.843 7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.828 5.852 10.563 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.778 7.514 10.010 1.00 0.00 H new ATOM 373 N ARG A 25 0.873 6.731 9.666 1.00 0.00 N ATOM 374 CA ARG A 25 -0.491 6.895 10.098 1.00 0.00 C ATOM 375 C ARG A 25 -1.181 5.546 10.116 1.00 0.00 C ATOM 376 O ARG A 25 -0.943 4.707 9.247 1.00 0.00 O ATOM 377 CB ARG A 25 -1.237 7.853 9.169 1.00 0.00 C ATOM 378 CG ARG A 25 -2.550 8.362 9.740 1.00 0.00 C ATOM 379 CD ARG A 25 -2.305 9.308 10.906 1.00 0.00 C ATOM 380 NE ARG A 25 -3.547 9.748 11.535 1.00 0.00 N ATOM 381 CZ ARG A 25 -3.768 10.991 11.954 1.00 0.00 C ATOM 382 NH1 ARG A 25 -2.879 11.947 11.722 1.00 0.00 N ATOM 383 NH2 ARG A 25 -4.892 11.273 12.590 1.00 0.00 N ATOM 0 H ARG A 25 0.991 6.638 8.657 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.495 7.318 11.102 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.593 8.704 8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.434 7.348 8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.114 8.876 8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.158 7.520 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.681 8.811 11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.751 10.178 10.554 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.290 9.061 11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.018 11.732 11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.056 12.898 12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.582 10.540 12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.070 12.223 12.915 1.00 0.00 H new ATOM 397 N ALA A 26 -2.032 5.373 11.112 1.00 0.00 N ATOM 398 CA ALA A 26 -2.787 4.135 11.332 1.00 0.00 C ATOM 399 C ALA A 26 -1.871 3.001 11.807 1.00 0.00 C ATOM 400 O ALA A 26 -0.704 2.925 11.421 1.00 0.00 O ATOM 401 CB ALA A 26 -3.559 3.727 10.080 1.00 0.00 C ATOM 0 H ALA A 26 -2.226 6.095 11.806 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.512 4.330 12.122 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.108 2.806 10.275 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.260 4.517 9.811 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.861 3.566 9.258 1.00 0.00 H new ATOM 407 N PRO A 27 -2.381 2.120 12.684 1.00 0.00 N ATOM 408 CA PRO A 27 -1.611 0.988 13.208 1.00 0.00 C ATOM 409 C PRO A 27 -1.342 -0.077 12.147 1.00 0.00 C ATOM 410 O PRO A 27 -2.145 -0.278 11.229 1.00 0.00 O ATOM 411 CB PRO A 27 -2.501 0.414 14.324 1.00 0.00 C ATOM 412 CG PRO A 27 -3.558 1.440 14.556 1.00 0.00 C ATOM 413 CD PRO A 27 -3.733 2.156 13.249 1.00 0.00 C ATOM 0 HA PRO A 27 -0.627 1.304 13.555 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.938 -0.539 14.027 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.925 0.232 15.231 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.491 0.974 14.874 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.263 2.133 15.344 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.455 1.654 12.605 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.087 3.177 13.390 1.00 0.00 H new ATOM 421 N GLY A 28 -0.209 -0.753 12.278 1.00 0.00 N ATOM 422 CA GLY A 28 0.133 -1.815 11.355 1.00 0.00 C ATOM 423 C GLY A 28 -0.354 -3.168 11.838 1.00 0.00 C ATOM 424 O GLY A 28 -1.255 -3.238 12.676 1.00 0.00 O ATOM 0 H GLY A 28 0.481 -0.584 13.010 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.302 -1.601 10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.214 -1.845 11.222 1.00 0.00 H new ATOM 428 N PRO A 29 0.210 -4.268 11.311 1.00 0.00 N ATOM 429 CA PRO A 29 -0.143 -5.625 11.745 1.00 0.00 C ATOM 430 C PRO A 29 0.199 -5.883 13.212 1.00 0.00 C ATOM 431 O PRO A 29 1.134 -5.297 13.764 1.00 0.00 O ATOM 432 CB PRO A 29 0.700 -6.534 10.845 1.00 0.00 C ATOM 433 CG PRO A 29 1.778 -5.662 10.303 1.00 0.00 C ATOM 434 CD PRO A 29 1.210 -4.275 10.234 1.00 0.00 C ATOM 0 HA PRO A 29 -1.216 -5.797 11.664 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.116 -7.369 11.409 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.098 -6.960 10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.658 -5.689 10.945 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.093 -6.002 9.316 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.977 -3.517 10.392 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.758 -4.073 9.263 1.00 0.00 H new ATOM 442 N THR A 30 -0.549 -6.791 13.823 1.00 0.00 N ATOM 443 CA THR A 30 -0.379 -7.128 15.231 1.00 0.00 C ATOM 444 C THR A 30 0.812 -8.063 15.450 1.00 0.00 C ATOM 445 O THR A 30 1.072 -8.507 16.568 1.00 0.00 O ATOM 446 CB THR A 30 -1.652 -7.799 15.768 1.00 0.00 C ATOM 447 OG1 THR A 30 -2.131 -8.749 14.804 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.735 -6.771 16.060 1.00 0.00 C ATOM 0 H THR A 30 -1.290 -7.315 13.358 1.00 0.00 H new ATOM 0 HA THR A 30 -0.189 -6.199 15.769 1.00 0.00 H new ATOM 0 HB THR A 30 -1.408 -8.306 16.701 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.942 -9.180 15.145 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.624 -7.276 16.439 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.374 -6.064 16.807 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.985 -6.235 15.144 1.00 0.00 H new ATOM 456 N ASP A 31 1.531 -8.350 14.374 1.00 0.00 N ATOM 457 CA ASP A 31 2.676 -9.254 14.422 1.00 0.00 C ATOM 458 C ASP A 31 3.855 -8.616 15.149 1.00 0.00 C ATOM 459 O ASP A 31 4.834 -9.287 15.469 1.00 0.00 O ATOM 460 CB ASP A 31 3.087 -9.672 13.010 1.00 0.00 C ATOM 461 CG ASP A 31 2.044 -10.538 12.330 1.00 0.00 C ATOM 462 OD1 ASP A 31 0.971 -10.009 11.965 1.00 0.00 O ATOM 463 OD2 ASP A 31 2.287 -11.749 12.153 1.00 0.00 O ATOM 0 H ASP A 31 1.341 -7.967 13.448 1.00 0.00 H new ATOM 0 HA ASP A 31 2.377 -10.142 14.979 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.262 -8.780 12.408 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.031 -10.216 13.056 1.00 0.00 H new ATOM 468 N GLY A 32 3.754 -7.320 15.403 1.00 0.00 N ATOM 469 CA GLY A 32 4.775 -6.637 16.177 1.00 0.00 C ATOM 470 C GLY A 32 5.574 -5.657 15.352 1.00 0.00 C ATOM 471 O GLY A 32 6.804 -5.646 15.401 1.00 0.00 O ATOM 0 H GLY A 32 2.985 -6.728 15.088 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.304 -6.109 17.006 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.450 -7.375 16.612 1.00 0.00 H new ATOM 475 N VAL A 33 4.878 -4.832 14.591 1.00 0.00 N ATOM 476 CA VAL A 33 5.534 -3.862 13.735 1.00 0.00 C ATOM 477 C VAL A 33 5.398 -2.460 14.323 1.00 0.00 C ATOM 478 O VAL A 33 4.321 -2.072 14.782 1.00 0.00 O ATOM 479 CB VAL A 33 4.938 -3.883 12.309 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.771 -3.049 11.354 1.00 0.00 C ATOM 481 CG2 VAL A 33 4.803 -5.313 11.800 1.00 0.00 C ATOM 0 H VAL A 33 3.859 -4.815 14.549 1.00 0.00 H new ATOM 0 HA VAL A 33 6.589 -4.131 13.675 1.00 0.00 H new ATOM 0 HB VAL A 33 3.942 -3.442 12.357 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.327 -3.083 10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.800 -2.017 11.703 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.785 -3.447 11.313 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.382 -5.303 10.795 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.785 -5.785 11.777 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.146 -5.875 12.464 1.00 0.00 H new ATOM 491 N LYS A 34 6.497 -1.716 14.323 1.00 0.00 N ATOM 492 CA LYS A 34 6.493 -0.329 14.784 1.00 0.00 C ATOM 493 C LYS A 34 5.870 0.590 13.744 1.00 0.00 C ATOM 494 O LYS A 34 5.082 1.480 14.064 1.00 0.00 O ATOM 495 CB LYS A 34 7.922 0.121 15.085 1.00 0.00 C ATOM 496 CG LYS A 34 8.374 -0.176 16.500 1.00 0.00 C ATOM 497 CD LYS A 34 7.789 0.828 17.476 1.00 0.00 C ATOM 498 CE LYS A 34 8.323 0.624 18.882 1.00 0.00 C ATOM 499 NZ LYS A 34 7.862 1.696 19.807 1.00 0.00 N ATOM 0 H LYS A 34 7.408 -2.050 14.008 1.00 0.00 H new ATOM 0 HA LYS A 34 5.894 -0.272 15.693 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.601 -0.368 14.387 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.000 1.194 14.907 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.067 -1.184 16.780 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.462 -0.148 16.552 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.023 1.839 17.142 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.703 0.738 17.483 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.997 -0.346 19.258 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.413 0.607 18.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.247 1.523 20.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.194 2.619 19.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.823 1.695 19.849 1.00 0.00 H new ATOM 513 N SER A 35 6.229 0.350 12.499 1.00 0.00 N ATOM 514 CA SER A 35 5.803 1.172 11.374 1.00 0.00 C ATOM 515 C SER A 35 6.106 0.425 10.089 1.00 0.00 C ATOM 516 O SER A 35 6.898 -0.515 10.092 1.00 0.00 O ATOM 517 CB SER A 35 6.530 2.526 11.354 1.00 0.00 C ATOM 518 OG SER A 35 6.354 3.235 12.570 1.00 0.00 O ATOM 0 H SER A 35 6.831 -0.429 12.232 1.00 0.00 H new ATOM 0 HA SER A 35 4.735 1.366 11.471 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.594 2.365 11.177 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.156 3.127 10.525 1.00 0.00 H new ATOM 0 HG SER A 35 5.599 2.853 13.065 1.00 0.00 H new ATOM 524 N ALA A 36 5.498 0.839 9.000 1.00 0.00 N ATOM 525 CA ALA A 36 5.727 0.184 7.729 1.00 0.00 C ATOM 526 C ALA A 36 6.141 1.201 6.682 1.00 0.00 C ATOM 527 O ALA A 36 5.895 2.400 6.833 1.00 0.00 O ATOM 528 CB ALA A 36 4.481 -0.572 7.286 1.00 0.00 C ATOM 0 H ALA A 36 4.845 1.622 8.967 1.00 0.00 H new ATOM 0 HA ALA A 36 6.536 -0.537 7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.671 -1.058 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.228 -1.326 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.651 0.126 7.180 1.00 0.00 H new ATOM 534 N THR A 37 6.795 0.729 5.645 1.00 0.00 N ATOM 535 CA THR A 37 7.135 1.565 4.516 1.00 0.00 C ATOM 536 C THR A 37 6.679 0.887 3.235 1.00 0.00 C ATOM 537 O THR A 37 6.783 -0.335 3.092 1.00 0.00 O ATOM 538 CB THR A 37 8.647 1.838 4.434 1.00 0.00 C ATOM 539 OG1 THR A 37 9.301 1.390 5.636 1.00 0.00 O ATOM 540 CG2 THR A 37 8.912 3.322 4.245 1.00 0.00 C ATOM 0 H THR A 37 7.105 -0.239 5.560 1.00 0.00 H new ATOM 0 HA THR A 37 6.630 2.522 4.646 1.00 0.00 H new ATOM 0 HB THR A 37 9.044 1.291 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.148 0.955 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.987 3.495 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.441 3.661 3.322 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.498 3.876 5.088 1.00 0.00 H new ATOM 548 N VAL A 38 6.174 1.667 2.307 1.00 0.00 N ATOM 549 CA VAL A 38 5.641 1.113 1.078 1.00 0.00 C ATOM 550 C VAL A 38 6.479 1.554 -0.116 1.00 0.00 C ATOM 551 O VAL A 38 6.791 2.736 -0.279 1.00 0.00 O ATOM 552 CB VAL A 38 4.152 1.487 0.874 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.956 2.991 0.804 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.596 0.811 -0.373 1.00 0.00 C ATOM 0 H VAL A 38 6.120 2.683 2.376 1.00 0.00 H new ATOM 0 HA VAL A 38 5.693 0.027 1.158 1.00 0.00 H new ATOM 0 HB VAL A 38 3.599 1.126 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.899 3.214 0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.300 3.446 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.528 3.394 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.549 1.086 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.164 1.134 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.677 -0.271 -0.267 1.00 0.00 H new ATOM 564 N THR A 39 6.870 0.586 -0.929 1.00 0.00 N ATOM 565 CA THR A 39 7.681 0.852 -2.100 1.00 0.00 C ATOM 566 C THR A 39 6.878 0.592 -3.370 1.00 0.00 C ATOM 567 O THR A 39 6.413 -0.526 -3.605 1.00 0.00 O ATOM 568 CB THR A 39 8.947 -0.025 -2.097 1.00 0.00 C ATOM 569 OG1 THR A 39 9.648 0.145 -0.859 1.00 0.00 O ATOM 570 CG2 THR A 39 9.866 0.334 -3.252 1.00 0.00 C ATOM 0 H THR A 39 6.635 -0.398 -0.795 1.00 0.00 H new ATOM 0 HA THR A 39 7.981 1.900 -2.074 1.00 0.00 H new ATOM 0 HB THR A 39 8.641 -1.065 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.452 -0.415 -0.859 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.751 -0.302 -3.224 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.341 0.183 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.166 1.378 -3.167 1.00 0.00 H new ATOM 578 N PHE A 40 6.709 1.623 -4.183 1.00 0.00 N ATOM 579 CA PHE A 40 5.931 1.499 -5.405 1.00 0.00 C ATOM 580 C PHE A 40 6.834 1.381 -6.623 1.00 0.00 C ATOM 581 O PHE A 40 7.672 2.248 -6.873 1.00 0.00 O ATOM 582 CB PHE A 40 4.997 2.700 -5.578 1.00 0.00 C ATOM 583 CG PHE A 40 3.876 2.756 -4.581 1.00 0.00 C ATOM 584 CD1 PHE A 40 2.823 1.858 -4.655 1.00 0.00 C ATOM 585 CD2 PHE A 40 3.869 3.712 -3.579 1.00 0.00 C ATOM 586 CE1 PHE A 40 1.785 1.912 -3.748 1.00 0.00 C ATOM 587 CE2 PHE A 40 2.832 3.771 -2.668 1.00 0.00 C ATOM 588 CZ PHE A 40 1.789 2.870 -2.753 1.00 0.00 C ATOM 0 H PHE A 40 7.099 2.551 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 40 5.335 0.590 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.583 3.616 -5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.574 2.676 -6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.815 1.107 -5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.683 4.419 -3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.970 1.206 -3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.837 4.521 -1.891 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.977 2.914 -2.042 1.00 0.00 H new ATOM 598 N THR A 41 6.681 0.285 -7.345 1.00 0.00 N ATOM 599 CA THR A 41 7.317 0.113 -8.638 1.00 0.00 C ATOM 600 C THR A 41 6.264 0.364 -9.719 1.00 0.00 C ATOM 601 O THR A 41 5.089 0.543 -9.397 1.00 0.00 O ATOM 602 CB THR A 41 7.904 -1.310 -8.775 1.00 0.00 C ATOM 603 OG1 THR A 41 8.426 -1.733 -7.508 1.00 0.00 O ATOM 604 CG2 THR A 41 9.021 -1.360 -9.808 1.00 0.00 C ATOM 0 H THR A 41 6.113 -0.510 -7.051 1.00 0.00 H new ATOM 0 HA THR A 41 8.142 0.818 -8.744 1.00 0.00 H new ATOM 0 HB THR A 41 7.102 -1.972 -9.103 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.797 -2.636 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.408 -2.377 -9.876 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.632 -1.054 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.823 -0.685 -9.509 1.00 0.00 H new ATOM 612 N GLU A 42 6.671 0.378 -10.981 1.00 0.00 N ATOM 613 CA GLU A 42 5.768 0.643 -12.085 1.00 0.00 C ATOM 614 C GLU A 42 4.541 -0.269 -12.061 1.00 0.00 C ATOM 615 O GLU A 42 3.414 0.196 -12.228 1.00 0.00 O ATOM 616 CB GLU A 42 6.512 0.483 -13.408 1.00 0.00 C ATOM 617 CG GLU A 42 7.613 1.512 -13.636 1.00 0.00 C ATOM 618 CD GLU A 42 8.907 1.174 -12.920 1.00 0.00 C ATOM 619 OE1 GLU A 42 9.035 1.492 -11.722 1.00 0.00 O ATOM 620 OE2 GLU A 42 9.807 0.596 -13.558 1.00 0.00 O ATOM 0 H GLU A 42 7.636 0.206 -11.265 1.00 0.00 H new ATOM 0 HA GLU A 42 5.412 1.668 -11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.949 -0.515 -13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.794 0.549 -14.226 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.808 1.594 -14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.264 2.488 -13.300 1.00 0.00 H new ATOM 627 N ASP A 43 4.759 -1.562 -11.858 1.00 0.00 N ATOM 628 CA ASP A 43 3.658 -2.521 -11.817 1.00 0.00 C ATOM 629 C ASP A 43 3.743 -3.405 -10.574 1.00 0.00 C ATOM 630 O ASP A 43 2.971 -4.354 -10.417 1.00 0.00 O ATOM 631 CB ASP A 43 3.665 -3.398 -13.071 1.00 0.00 C ATOM 632 CG ASP A 43 4.882 -4.301 -13.146 1.00 0.00 C ATOM 633 OD1 ASP A 43 5.992 -3.790 -13.409 1.00 0.00 O ATOM 634 OD2 ASP A 43 4.733 -5.528 -12.960 1.00 0.00 O ATOM 0 H ASP A 43 5.683 -1.971 -11.720 1.00 0.00 H new ATOM 0 HA ASP A 43 2.727 -1.955 -11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.763 -4.009 -13.087 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.635 -2.761 -13.955 1.00 0.00 H new ATOM 639 N GLU A 44 4.659 -3.070 -9.676 1.00 0.00 N ATOM 640 CA GLU A 44 4.902 -3.886 -8.493 1.00 0.00 C ATOM 641 C GLU A 44 4.698 -3.089 -7.212 1.00 0.00 C ATOM 642 O GLU A 44 5.144 -1.945 -7.099 1.00 0.00 O ATOM 643 CB GLU A 44 6.328 -4.444 -8.515 1.00 0.00 C ATOM 644 CG GLU A 44 6.571 -5.480 -9.593 1.00 0.00 C ATOM 645 CD GLU A 44 8.041 -5.809 -9.762 1.00 0.00 C ATOM 646 OE1 GLU A 44 8.695 -6.183 -8.768 1.00 0.00 O ATOM 647 OE2 GLU A 44 8.556 -5.676 -10.893 1.00 0.00 O ATOM 0 H GLU A 44 5.246 -2.239 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 44 4.183 -4.705 -8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.027 -3.619 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.548 -4.887 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.024 -6.390 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.173 -5.115 -10.540 1.00 0.00 H new ATOM 654 N VAL A 45 4.014 -3.694 -6.259 1.00 0.00 N ATOM 655 CA VAL A 45 3.893 -3.125 -4.930 1.00 0.00 C ATOM 656 C VAL A 45 4.734 -3.942 -3.960 1.00 0.00 C ATOM 657 O VAL A 45 4.498 -5.137 -3.776 1.00 0.00 O ATOM 658 CB VAL A 45 2.429 -3.101 -4.438 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.340 -2.524 -3.032 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.550 -2.302 -5.389 1.00 0.00 C ATOM 0 H VAL A 45 3.531 -4.584 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 45 4.245 -2.094 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 45 2.068 -4.129 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.300 -2.517 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.930 -3.136 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.727 -1.505 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.524 -2.300 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.916 -1.277 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.579 -2.756 -6.380 1.00 0.00 H new ATOM 670 N VAL A 46 5.724 -3.306 -3.357 1.00 0.00 N ATOM 671 CA VAL A 46 6.588 -3.988 -2.412 1.00 0.00 C ATOM 672 C VAL A 46 6.321 -3.481 -1.005 1.00 0.00 C ATOM 673 O VAL A 46 6.413 -2.280 -0.739 1.00 0.00 O ATOM 674 CB VAL A 46 8.079 -3.788 -2.757 1.00 0.00 C ATOM 675 CG1 VAL A 46 8.963 -4.555 -1.787 1.00 0.00 C ATOM 676 CG2 VAL A 46 8.358 -4.218 -4.189 1.00 0.00 C ATOM 0 H VAL A 46 5.948 -2.322 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 46 6.366 -5.053 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 46 8.312 -2.727 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.010 -4.400 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.786 -4.198 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.728 -5.618 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.414 -4.070 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.106 -5.272 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.754 -3.621 -4.872 1.00 0.00 H new ATOM 686 N GLU A 47 5.981 -4.396 -0.114 1.00 0.00 N ATOM 687 CA GLU A 47 5.732 -4.048 1.267 1.00 0.00 C ATOM 688 C GLU A 47 6.950 -4.300 2.117 1.00 0.00 C ATOM 689 O GLU A 47 7.585 -5.353 2.037 1.00 0.00 O ATOM 690 CB GLU A 47 4.553 -4.829 1.813 1.00 0.00 C ATOM 691 CG GLU A 47 3.220 -4.299 1.334 1.00 0.00 C ATOM 692 CD GLU A 47 2.138 -5.355 1.361 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.994 -6.083 0.358 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.437 -5.471 2.389 1.00 0.00 O ATOM 0 H GLU A 47 5.872 -5.388 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 47 5.498 -2.984 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.649 -5.874 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.579 -4.801 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.920 -3.459 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.327 -3.918 0.318 1.00 0.00 H new ATOM 701 N THR A 48 7.265 -3.313 2.913 1.00 0.00 N ATOM 702 CA THR A 48 8.363 -3.392 3.849 1.00 0.00 C ATOM 703 C THR A 48 7.888 -3.015 5.246 1.00 0.00 C ATOM 704 O THR A 48 7.410 -1.902 5.472 1.00 0.00 O ATOM 705 CB THR A 48 9.522 -2.477 3.415 1.00 0.00 C ATOM 706 OG1 THR A 48 9.074 -1.556 2.404 1.00 0.00 O ATOM 707 CG2 THR A 48 10.689 -3.297 2.882 1.00 0.00 C ATOM 0 H THR A 48 6.766 -2.424 2.933 1.00 0.00 H new ATOM 0 HA THR A 48 8.728 -4.419 3.863 1.00 0.00 H new ATOM 0 HB THR A 48 9.859 -1.918 4.288 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.434 -0.926 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.496 -2.629 2.581 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.046 -3.970 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.361 -3.880 2.021 1.00 0.00 H new ATOM 715 N GLU A 49 7.988 -3.950 6.173 1.00 0.00 N ATOM 716 CA GLU A 49 7.529 -3.719 7.532 1.00 0.00 C ATOM 717 C GLU A 49 8.715 -3.603 8.477 1.00 0.00 C ATOM 718 O GLU A 49 9.570 -4.490 8.523 1.00 0.00 O ATOM 719 CB GLU A 49 6.614 -4.857 7.978 1.00 0.00 C ATOM 720 CG GLU A 49 5.550 -5.212 6.953 1.00 0.00 C ATOM 721 CD GLU A 49 4.616 -6.301 7.432 1.00 0.00 C ATOM 722 OE1 GLU A 49 5.049 -7.468 7.527 1.00 0.00 O ATOM 723 OE2 GLU A 49 3.444 -5.994 7.721 1.00 0.00 O ATOM 0 H GLU A 49 8.383 -4.876 6.011 1.00 0.00 H new ATOM 0 HA GLU A 49 6.969 -2.784 7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.219 -5.740 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.129 -4.578 8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.970 -4.321 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.033 -5.534 6.031 1.00 0.00 H new ATOM 730 N VAL A 50 8.758 -2.518 9.236 1.00 0.00 N ATOM 731 CA VAL A 50 9.857 -2.284 10.156 1.00 0.00 C ATOM 732 C VAL A 50 9.572 -2.957 11.491 1.00 0.00 C ATOM 733 O VAL A 50 8.685 -2.541 12.241 1.00 0.00 O ATOM 734 CB VAL A 50 10.099 -0.773 10.388 1.00 0.00 C ATOM 735 CG1 VAL A 50 11.323 -0.548 11.263 1.00 0.00 C ATOM 736 CG2 VAL A 50 10.254 -0.043 9.064 1.00 0.00 C ATOM 0 H VAL A 50 8.045 -1.788 9.232 1.00 0.00 H new ATOM 0 HA VAL A 50 10.755 -2.709 9.707 1.00 0.00 H new ATOM 0 HB VAL A 50 9.229 -0.369 10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.472 0.521 11.412 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.174 -1.031 12.229 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.201 -0.973 10.777 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.423 1.017 9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.103 -0.455 8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.347 -0.167 8.472 1.00 0.00 H new ATOM 746 N MET A 51 10.345 -3.984 11.788 1.00 0.00 N ATOM 747 CA MET A 51 10.179 -4.731 13.017 1.00 0.00 C ATOM 748 C MET A 51 11.448 -4.635 13.844 1.00 0.00 C ATOM 749 O MET A 51 12.534 -4.956 13.368 1.00 0.00 O ATOM 750 CB MET A 51 9.868 -6.188 12.703 1.00 0.00 C ATOM 751 CG MET A 51 9.256 -6.952 13.866 1.00 0.00 C ATOM 752 SD MET A 51 8.754 -8.623 13.408 1.00 0.00 S ATOM 753 CE MET A 51 7.502 -8.285 12.170 1.00 0.00 C ATOM 0 H MET A 51 11.099 -4.321 11.189 1.00 0.00 H new ATOM 0 HA MET A 51 9.349 -4.311 13.585 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.185 -6.229 11.855 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.787 -6.688 12.396 1.00 0.00 H new ATOM 0 HG2 MET A 51 9.977 -7.004 14.682 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.390 -6.406 14.240 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.941 -9.196 11.962 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.823 -7.517 12.540 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.980 -7.936 11.255 1.00 0.00 H new ATOM 763 N GLU A 52 11.301 -4.210 15.080 1.00 0.00 N ATOM 764 CA GLU A 52 12.444 -3.941 15.941 1.00 0.00 C ATOM 765 C GLU A 52 13.219 -5.221 16.237 1.00 0.00 C ATOM 766 O GLU A 52 12.646 -6.225 16.658 1.00 0.00 O ATOM 767 CB GLU A 52 11.982 -3.280 17.238 1.00 0.00 C ATOM 768 CG GLU A 52 13.122 -2.875 18.152 1.00 0.00 C ATOM 769 CD GLU A 52 12.652 -2.052 19.329 1.00 0.00 C ATOM 770 OE1 GLU A 52 12.170 -2.639 20.317 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.762 -0.808 19.270 1.00 0.00 O ATOM 0 H GLU A 52 10.396 -4.041 15.519 1.00 0.00 H new ATOM 0 HA GLU A 52 13.114 -3.258 15.419 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.391 -2.397 16.995 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.325 -3.967 17.772 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.627 -3.769 18.516 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.855 -2.304 17.583 1.00 0.00 H new ATOM 778 N GLY A 53 14.519 -5.178 15.985 1.00 0.00 N ATOM 779 CA GLY A 53 15.366 -6.328 16.207 1.00 0.00 C ATOM 780 C GLY A 53 15.880 -6.904 14.903 1.00 0.00 C ATOM 781 O GLY A 53 16.968 -7.479 14.849 1.00 0.00 O ATOM 0 H GLY A 53 15.005 -4.356 15.627 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.209 -6.043 16.837 1.00 0.00 H new ATOM 0 HA3 GLY A 53 14.808 -7.092 16.748 1.00 0.00 H new ATOM 785 N ARG A 54 15.101 -6.732 13.846 1.00 0.00 N ATOM 786 CA ARG A 54 15.453 -7.262 12.541 1.00 0.00 C ATOM 787 C ARG A 54 15.441 -6.169 11.478 1.00 0.00 C ATOM 788 O ARG A 54 16.237 -6.184 10.540 1.00 0.00 O ATOM 789 CB ARG A 54 14.504 -8.398 12.170 1.00 0.00 C ATOM 790 CG ARG A 54 13.042 -8.107 12.462 1.00 0.00 C ATOM 791 CD ARG A 54 12.188 -9.366 12.364 1.00 0.00 C ATOM 792 NE ARG A 54 12.654 -10.421 13.273 1.00 0.00 N ATOM 793 CZ ARG A 54 11.850 -11.163 14.044 1.00 0.00 C ATOM 794 NH1 ARG A 54 10.543 -10.953 14.048 1.00 0.00 N ATOM 795 NH2 ARG A 54 12.358 -12.112 14.820 1.00 0.00 N ATOM 0 H ARG A 54 14.216 -6.226 13.869 1.00 0.00 H new ATOM 0 HA ARG A 54 16.469 -7.655 12.589 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.614 -8.617 11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.800 -9.296 12.713 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.948 -7.680 13.460 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.672 -7.360 11.760 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.152 -9.120 12.596 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.206 -9.737 11.339 1.00 0.00 H new ATOM 0 HE ARG A 54 13.657 -10.600 13.320 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.142 -10.222 13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.937 -11.523 14.638 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.364 -12.278 14.830 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.742 -12.675 15.406 1.00 0.00 H new ATOM 809 N GLY A 55 14.530 -5.230 11.626 1.00 0.00 N ATOM 810 CA GLY A 55 14.498 -4.083 10.744 1.00 0.00 C ATOM 811 C GLY A 55 13.433 -4.207 9.685 1.00 0.00 C ATOM 812 O GLY A 55 12.333 -4.685 9.964 1.00 0.00 O ATOM 0 H GLY A 55 13.806 -5.238 12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.321 -3.181 11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.471 -3.967 10.266 1.00 0.00 H new ATOM 816 N GLU A 56 13.759 -3.773 8.476 1.00 0.00 N ATOM 817 CA GLU A 56 12.845 -3.861 7.348 1.00 0.00 C ATOM 818 C GLU A 56 12.666 -5.295 6.899 1.00 0.00 C ATOM 819 O GLU A 56 13.623 -6.073 6.845 1.00 0.00 O ATOM 820 CB GLU A 56 13.363 -3.011 6.190 1.00 0.00 C ATOM 821 CG GLU A 56 13.049 -1.535 6.334 1.00 0.00 C ATOM 822 CD GLU A 56 11.624 -1.200 5.940 1.00 0.00 C ATOM 823 OE1 GLU A 56 10.702 -1.942 6.325 1.00 0.00 O ATOM 824 OE2 GLU A 56 11.429 -0.195 5.220 1.00 0.00 O ATOM 0 H GLU A 56 14.660 -3.352 8.251 1.00 0.00 H new ATOM 0 HA GLU A 56 11.874 -3.483 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.443 -3.138 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.930 -3.377 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.217 -1.231 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.738 -0.959 5.716 1.00 0.00 H new ATOM 831 N VAL A 57 11.432 -5.633 6.591 1.00 0.00 N ATOM 832 CA VAL A 57 11.086 -6.964 6.131 1.00 0.00 C ATOM 833 C VAL A 57 10.280 -6.879 4.842 1.00 0.00 C ATOM 834 O VAL A 57 9.219 -6.255 4.809 1.00 0.00 O ATOM 835 CB VAL A 57 10.274 -7.720 7.205 1.00 0.00 C ATOM 836 CG1 VAL A 57 9.790 -9.066 6.683 1.00 0.00 C ATOM 837 CG2 VAL A 57 11.096 -7.909 8.472 1.00 0.00 C ATOM 0 H VAL A 57 10.639 -4.994 6.652 1.00 0.00 H new ATOM 0 HA VAL A 57 12.010 -7.511 5.943 1.00 0.00 H new ATOM 0 HB VAL A 57 9.400 -7.114 7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.221 -9.575 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.154 -8.911 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.648 -9.677 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.503 -8.444 9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.993 -8.484 8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.381 -6.935 8.869 1.00 0.00 H new ATOM 847 N GLN A 58 10.789 -7.500 3.787 1.00 0.00 N ATOM 848 CA GLN A 58 10.126 -7.497 2.500 1.00 0.00 C ATOM 849 C GLN A 58 9.037 -8.559 2.438 1.00 0.00 C ATOM 850 O GLN A 58 9.261 -9.718 2.793 1.00 0.00 O ATOM 851 CB GLN A 58 11.140 -7.757 1.392 1.00 0.00 C ATOM 852 CG GLN A 58 12.243 -6.717 1.302 1.00 0.00 C ATOM 853 CD GLN A 58 13.185 -6.965 0.136 1.00 0.00 C ATOM 854 OE1 GLN A 58 13.721 -6.027 -0.454 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.411 -8.229 -0.189 1.00 0.00 N ATOM 0 H GLN A 58 11.669 -8.016 3.803 1.00 0.00 H new ATOM 0 HA GLN A 58 9.667 -6.518 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.591 -8.736 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.616 -7.798 0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.797 -5.728 1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.813 -6.716 2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.947 -8.978 0.324 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.049 -8.453 -0.953 1.00 0.00 H new ATOM 864 N LEU A 59 7.860 -8.153 2.002 1.00 0.00 N ATOM 865 CA LEU A 59 6.784 -9.090 1.725 1.00 0.00 C ATOM 866 C LEU A 59 6.774 -9.435 0.239 1.00 0.00 C ATOM 867 O LEU A 59 7.350 -8.701 -0.568 1.00 0.00 O ATOM 868 CB LEU A 59 5.432 -8.504 2.146 1.00 0.00 C ATOM 869 CG LEU A 59 5.233 -8.354 3.653 1.00 0.00 C ATOM 870 CD1 LEU A 59 3.877 -7.743 3.958 1.00 0.00 C ATOM 871 CD2 LEU A 59 5.372 -9.700 4.345 1.00 0.00 C ATOM 0 H LEU A 59 7.622 -7.176 1.831 1.00 0.00 H new ATOM 0 HA LEU A 59 6.952 -9.999 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.317 -7.525 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.639 -9.140 1.752 1.00 0.00 H new ATOM 0 HG LEU A 59 6.005 -7.685 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.756 -7.645 5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.809 -6.759 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.091 -8.386 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.227 -9.574 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.622 -10.388 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.367 -10.104 4.158 1.00 0.00 H new ATOM 883 N PRO A 60 6.153 -10.564 -0.137 1.00 0.00 N ATOM 884 CA PRO A 60 6.008 -10.961 -1.542 1.00 0.00 C ATOM 885 C PRO A 60 5.360 -9.857 -2.374 1.00 0.00 C ATOM 886 O PRO A 60 4.216 -9.479 -2.125 1.00 0.00 O ATOM 887 CB PRO A 60 5.094 -12.187 -1.485 1.00 0.00 C ATOM 888 CG PRO A 60 5.227 -12.719 -0.100 1.00 0.00 C ATOM 889 CD PRO A 60 5.550 -11.543 0.782 1.00 0.00 C ATOM 0 HA PRO A 60 6.971 -11.162 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.061 -11.917 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.392 -12.933 -2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.304 -13.202 0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.014 -13.471 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.655 -11.144 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.240 -11.820 1.579 1.00 0.00 H new ATOM 897 N PHE A 61 6.098 -9.345 -3.354 1.00 0.00 N ATOM 898 CA PHE A 61 5.638 -8.211 -4.152 1.00 0.00 C ATOM 899 C PHE A 61 4.359 -8.545 -4.911 1.00 0.00 C ATOM 900 O PHE A 61 4.269 -9.560 -5.611 1.00 0.00 O ATOM 901 CB PHE A 61 6.733 -7.724 -5.115 1.00 0.00 C ATOM 902 CG PHE A 61 7.293 -8.784 -6.029 1.00 0.00 C ATOM 903 CD1 PHE A 61 8.274 -9.661 -5.586 1.00 0.00 C ATOM 904 CD2 PHE A 61 6.845 -8.894 -7.337 1.00 0.00 C ATOM 905 CE1 PHE A 61 8.794 -10.624 -6.429 1.00 0.00 C ATOM 906 CE2 PHE A 61 7.362 -9.858 -8.182 1.00 0.00 C ATOM 907 CZ PHE A 61 8.337 -10.724 -7.727 1.00 0.00 C ATOM 0 H PHE A 61 7.019 -9.697 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 61 5.413 -7.399 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.327 -6.917 -5.725 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.550 -7.302 -4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.635 -9.589 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.084 -8.219 -7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.558 -11.299 -6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.004 -9.934 -9.198 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.741 -11.478 -8.386 1.00 0.00 H new ATOM 917 N MET A 62 3.368 -7.690 -4.734 1.00 0.00 N ATOM 918 CA MET A 62 2.081 -7.852 -5.332 1.00 0.00 C ATOM 919 C MET A 62 1.993 -7.064 -6.636 1.00 0.00 C ATOM 920 O MET A 62 2.568 -5.980 -6.751 1.00 0.00 O ATOM 921 CB MET A 62 1.041 -7.356 -4.340 1.00 0.00 C ATOM 922 CG MET A 62 -0.358 -7.632 -4.785 1.00 0.00 C ATOM 923 SD MET A 62 -1.604 -7.073 -3.603 1.00 0.00 S ATOM 924 CE MET A 62 -1.071 -7.921 -2.116 1.00 0.00 C ATOM 0 H MET A 62 3.450 -6.852 -4.158 1.00 0.00 H new ATOM 0 HA MET A 62 1.906 -8.901 -5.570 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.211 -7.831 -3.374 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.167 -6.283 -4.194 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.531 -7.143 -5.744 1.00 0.00 H new ATOM 0 HG3 MET A 62 -0.476 -8.703 -4.948 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.938 -8.148 -1.496 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.566 -8.848 -2.387 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.384 -7.283 -1.560 1.00 0.00 H new ATOM 934 N ALA A 63 1.284 -7.610 -7.613 1.00 0.00 N ATOM 935 CA ALA A 63 1.093 -6.929 -8.885 1.00 0.00 C ATOM 936 C ALA A 63 -0.209 -6.136 -8.875 1.00 0.00 C ATOM 937 O ALA A 63 -1.217 -6.584 -8.322 1.00 0.00 O ATOM 938 CB ALA A 63 1.100 -7.931 -10.029 1.00 0.00 C ATOM 0 H ALA A 63 0.832 -8.522 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 63 1.918 -6.232 -9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.956 -7.406 -10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.055 -8.456 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.294 -8.651 -9.887 1.00 0.00 H new ATOM 944 N TYR A 64 -0.181 -4.956 -9.472 1.00 0.00 N ATOM 945 CA TYR A 64 -1.363 -4.108 -9.539 1.00 0.00 C ATOM 946 C TYR A 64 -1.479 -3.483 -10.920 1.00 0.00 C ATOM 947 O TYR A 64 -0.512 -3.459 -11.680 1.00 0.00 O ATOM 948 CB TYR A 64 -1.301 -3.006 -8.470 1.00 0.00 C ATOM 949 CG TYR A 64 -0.356 -1.861 -8.802 1.00 0.00 C ATOM 950 CD1 TYR A 64 1.020 -2.006 -8.691 1.00 0.00 C ATOM 951 CD2 TYR A 64 -0.850 -0.635 -9.233 1.00 0.00 C ATOM 952 CE1 TYR A 64 1.874 -0.964 -9.001 1.00 0.00 C ATOM 953 CE2 TYR A 64 -0.001 0.409 -9.546 1.00 0.00 C ATOM 954 CZ TYR A 64 1.358 0.241 -9.427 1.00 0.00 C ATOM 955 OH TYR A 64 2.206 1.282 -9.739 1.00 0.00 O ATOM 0 H TYR A 64 0.647 -4.562 -9.918 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.241 -4.726 -9.350 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.303 -2.603 -8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.994 -3.451 -7.524 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.430 -2.948 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.917 -0.496 -9.325 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.942 -1.094 -8.910 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.403 1.353 -9.883 1.00 0.00 H new ATOM 0 HH TYR A 64 2.694 1.071 -10.562 1.00 0.00 H new ATOM 965 N LYS A 65 -2.654 -2.976 -11.249 1.00 0.00 N ATOM 966 CA LYS A 65 -2.835 -2.279 -12.513 1.00 0.00 C ATOM 967 C LYS A 65 -3.339 -0.868 -12.264 1.00 0.00 C ATOM 968 O LYS A 65 -3.997 -0.598 -11.257 1.00 0.00 O ATOM 969 CB LYS A 65 -3.808 -3.016 -13.447 1.00 0.00 C ATOM 970 CG LYS A 65 -5.273 -2.839 -13.081 1.00 0.00 C ATOM 971 CD LYS A 65 -6.187 -3.293 -14.210 1.00 0.00 C ATOM 972 CE LYS A 65 -7.642 -3.003 -13.892 1.00 0.00 C ATOM 973 NZ LYS A 65 -8.535 -3.255 -15.054 1.00 0.00 N ATOM 0 H LYS A 65 -3.490 -3.032 -10.667 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.863 -2.245 -13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.654 -2.663 -14.467 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.568 -4.079 -13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.496 -3.409 -12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.468 -1.791 -12.852 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.907 -2.787 -15.134 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.056 -4.362 -14.380 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.958 -3.622 -13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.743 -1.964 -13.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.518 -3.043 -14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.252 -2.646 -15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.461 -4.252 -15.339 1.00 0.00 H new ATOM 987 N VAL A 66 -3.024 0.014 -13.191 1.00 0.00 N ATOM 988 CA VAL A 66 -3.440 1.406 -13.121 1.00 0.00 C ATOM 989 C VAL A 66 -4.611 1.648 -14.062 1.00 0.00 C ATOM 990 O VAL A 66 -4.464 1.564 -15.282 1.00 0.00 O ATOM 991 CB VAL A 66 -2.277 2.349 -13.492 1.00 0.00 C ATOM 992 CG1 VAL A 66 -2.730 3.801 -13.523 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.126 2.187 -12.514 1.00 0.00 C ATOM 0 H VAL A 66 -2.471 -0.212 -14.018 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.745 1.617 -12.096 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.937 2.076 -14.491 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.887 4.440 -13.788 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.521 3.920 -14.263 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.107 4.086 -12.541 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.315 2.860 -12.792 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.468 2.427 -11.507 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.768 1.158 -12.540 1.00 0.00 H new ATOM 1003 N ILE A 67 -5.766 1.936 -13.487 1.00 0.00 N ATOM 1004 CA ILE A 67 -6.979 2.148 -14.260 1.00 0.00 C ATOM 1005 C ILE A 67 -7.033 3.585 -14.753 1.00 0.00 C ATOM 1006 O ILE A 67 -7.158 3.846 -15.949 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.234 1.862 -13.418 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.065 0.557 -12.630 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -9.463 1.791 -14.316 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.291 0.170 -11.833 1.00 0.00 C ATOM 0 H ILE A 67 -5.890 2.029 -12.479 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.960 1.461 -15.106 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.371 2.676 -12.706 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.823 -0.248 -13.324 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.218 0.659 -11.952 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.346 1.588 -13.709 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.590 2.741 -14.835 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.334 0.993 -15.047 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.100 -0.762 -11.301 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.521 0.957 -11.115 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.136 0.036 -12.508 1.00 0.00 H new ATOM 1022 N SER A 68 -6.901 4.511 -13.823 1.00 0.00 N ATOM 1023 CA SER A 68 -6.931 5.925 -14.148 1.00 0.00 C ATOM 1024 C SER A 68 -5.698 6.597 -13.577 1.00 0.00 C ATOM 1025 O SER A 68 -5.158 6.150 -12.568 1.00 0.00 O ATOM 1026 CB SER A 68 -8.184 6.577 -13.577 1.00 0.00 C ATOM 1027 OG SER A 68 -9.317 5.736 -13.741 1.00 0.00 O ATOM 0 H SER A 68 -6.771 4.309 -12.832 1.00 0.00 H new ATOM 0 HA SER A 68 -6.944 6.040 -15.232 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.036 6.791 -12.519 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.360 7.531 -14.074 1.00 0.00 H new ATOM 0 HG SER A 68 -10.108 6.176 -13.365 1.00 0.00 H new ATOM 1033 N GLN A 69 -5.262 7.662 -14.215 1.00 0.00 N ATOM 1034 CA GLN A 69 -4.033 8.335 -13.822 1.00 0.00 C ATOM 1035 C GLN A 69 -4.116 9.824 -14.119 1.00 0.00 C ATOM 1036 O GLN A 69 -4.762 10.241 -15.081 1.00 0.00 O ATOM 1037 CB GLN A 69 -2.837 7.716 -14.557 1.00 0.00 C ATOM 1038 CG GLN A 69 -1.488 8.246 -14.092 1.00 0.00 C ATOM 1039 CD GLN A 69 -0.343 7.749 -14.950 1.00 0.00 C ATOM 1040 OE1 GLN A 69 0.025 8.383 -15.937 1.00 0.00 O ATOM 1041 NE2 GLN A 69 0.224 6.612 -14.581 1.00 0.00 N ATOM 0 H GLN A 69 -5.739 8.085 -15.011 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.897 8.206 -12.748 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.859 6.635 -14.420 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.942 7.904 -15.625 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.504 9.336 -14.109 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.320 7.945 -13.058 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.113 6.119 -13.755 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.999 6.229 -15.123 1.00 0.00 H new ATOM 1050 N SER A 70 -3.477 10.618 -13.282 1.00 0.00 N ATOM 1051 CA SER A 70 -3.370 12.039 -13.513 1.00 0.00 C ATOM 1052 C SER A 70 -1.951 12.500 -13.199 1.00 0.00 C ATOM 1053 O SER A 70 -1.252 11.869 -12.400 1.00 0.00 O ATOM 1054 CB SER A 70 -4.369 12.786 -12.629 1.00 0.00 C ATOM 1055 OG SER A 70 -4.379 14.175 -12.912 1.00 0.00 O ATOM 0 H SER A 70 -3.021 10.295 -12.429 1.00 0.00 H new ATOM 0 HA SER A 70 -3.595 12.253 -14.558 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.367 12.376 -12.781 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.116 12.629 -11.580 1.00 0.00 H new ATOM 0 HG SER A 70 -5.215 14.569 -12.587 1.00 0.00 H new ATOM 1061 N THR A 71 -1.524 13.585 -13.830 1.00 0.00 N ATOM 1062 CA THR A 71 -0.244 14.190 -13.509 1.00 0.00 C ATOM 1063 C THR A 71 -0.395 15.024 -12.240 1.00 0.00 C ATOM 1064 O THR A 71 0.538 15.160 -11.448 1.00 0.00 O ATOM 1065 CB THR A 71 0.259 15.071 -14.665 1.00 0.00 C ATOM 1066 OG1 THR A 71 0.355 14.289 -15.867 1.00 0.00 O ATOM 1067 CG2 THR A 71 1.614 15.685 -14.346 1.00 0.00 C ATOM 0 H THR A 71 -2.046 14.062 -14.565 1.00 0.00 H new ATOM 0 HA THR A 71 0.491 13.400 -13.350 1.00 0.00 H new ATOM 0 HB THR A 71 -0.457 15.881 -14.807 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.674 14.855 -16.601 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.940 16.301 -15.184 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.532 16.302 -13.451 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.342 14.892 -14.174 1.00 0.00 H new ATOM 1075 N ASP A 72 -1.600 15.547 -12.053 1.00 0.00 N ATOM 1076 CA ASP A 72 -1.931 16.331 -10.872 1.00 0.00 C ATOM 1077 C ASP A 72 -3.421 16.229 -10.576 1.00 0.00 C ATOM 1078 O ASP A 72 -4.216 17.089 -10.964 1.00 0.00 O ATOM 1079 CB ASP A 72 -1.509 17.792 -11.056 1.00 0.00 C ATOM 1080 CG ASP A 72 -1.874 18.672 -9.877 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -1.426 18.382 -8.745 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.603 19.666 -10.084 1.00 0.00 O ATOM 0 H ASP A 72 -2.371 15.440 -12.712 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.382 15.929 -10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.431 17.835 -11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.979 18.188 -11.956 1.00 0.00 H new ATOM 1087 N GLY A 73 -3.798 15.130 -9.942 1.00 0.00 N ATOM 1088 CA GLY A 73 -5.174 14.922 -9.551 1.00 0.00 C ATOM 1089 C GLY A 73 -5.336 13.665 -8.723 1.00 0.00 C ATOM 1090 O GLY A 73 -5.139 13.685 -7.505 1.00 0.00 O ATOM 0 H GLY A 73 -3.166 14.370 -9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.524 15.782 -8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.799 14.855 -10.441 1.00 0.00 H new ATOM 1094 N SER A 74 -5.677 12.568 -9.379 1.00 0.00 N ATOM 1095 CA SER A 74 -5.870 11.309 -8.703 1.00 0.00 C ATOM 1096 C SER A 74 -5.496 10.140 -9.608 1.00 0.00 C ATOM 1097 O SER A 74 -5.521 10.250 -10.836 1.00 0.00 O ATOM 1098 CB SER A 74 -7.320 11.188 -8.249 1.00 0.00 C ATOM 1099 OG SER A 74 -8.213 11.574 -9.278 1.00 0.00 O ATOM 0 H SER A 74 -5.825 12.531 -10.387 1.00 0.00 H new ATOM 0 HA SER A 74 -5.217 11.278 -7.831 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.526 10.160 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.482 11.812 -7.370 1.00 0.00 H new ATOM 0 HG SER A 74 -9.136 11.485 -8.961 1.00 0.00 H new ATOM 1105 N ILE A 75 -5.134 9.033 -8.988 1.00 0.00 N ATOM 1106 CA ILE A 75 -4.797 7.814 -9.693 1.00 0.00 C ATOM 1107 C ILE A 75 -5.604 6.663 -9.107 1.00 0.00 C ATOM 1108 O ILE A 75 -5.655 6.496 -7.888 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.288 7.490 -9.574 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.444 8.689 -10.018 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -2.933 6.255 -10.391 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -0.954 8.424 -10.010 1.00 0.00 C ATOM 0 H ILE A 75 -5.065 8.955 -7.973 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.033 7.951 -10.748 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.067 7.280 -8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.746 8.982 -11.024 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.657 9.534 -9.363 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.868 6.047 -10.292 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.505 5.401 -10.027 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.172 6.431 -11.440 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.424 9.319 -10.336 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.637 8.161 -9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.727 7.601 -10.687 1.00 0.00 H new ATOM 1124 N GLU A 76 -6.242 5.880 -9.960 1.00 0.00 N ATOM 1125 CA GLU A 76 -7.015 4.746 -9.489 1.00 0.00 C ATOM 1126 C GLU A 76 -6.329 3.457 -9.898 1.00 0.00 C ATOM 1127 O GLU A 76 -6.061 3.228 -11.079 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.441 4.763 -10.038 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.353 3.750 -9.359 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.788 3.812 -9.844 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -11.558 4.654 -9.329 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.161 3.013 -10.732 1.00 0.00 O ATOM 0 H GLU A 76 -6.240 6.007 -10.972 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.074 4.811 -8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.860 5.761 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.415 4.559 -11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.962 2.747 -9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.333 3.919 -8.282 1.00 0.00 H new ATOM 1139 N ILE A 77 -6.049 2.628 -8.916 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.360 1.371 -9.143 1.00 0.00 C ATOM 1141 C ILE A 77 -6.186 0.221 -8.597 1.00 0.00 C ATOM 1142 O ILE A 77 -7.046 0.414 -7.735 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.959 1.354 -8.489 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -4.065 1.576 -6.975 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -3.066 2.412 -9.124 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.746 1.453 -6.237 1.00 0.00 C ATOM 0 H ILE A 77 -6.290 2.803 -7.941 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.231 1.259 -10.220 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.511 0.375 -8.658 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.480 2.567 -6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.769 0.854 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.083 2.388 -8.654 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.963 2.209 -10.190 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.512 3.397 -8.983 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.907 1.624 -5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.337 0.454 -6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.044 2.193 -6.621 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.942 -0.967 -9.107 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.681 -2.135 -8.675 1.00 0.00 C ATOM 1160 C GLN A 78 -5.718 -3.272 -8.387 1.00 0.00 C ATOM 1161 O GLN A 78 -4.775 -3.501 -9.150 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.691 -2.535 -9.751 1.00 0.00 C ATOM 1163 CG GLN A 78 -8.753 -3.506 -9.273 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.855 -3.697 -10.297 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -9.614 -3.670 -11.500 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -11.080 -3.850 -9.828 1.00 0.00 N ATOM 0 H GLN A 78 -5.238 -1.150 -9.822 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.227 -1.905 -7.760 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.179 -1.636 -10.128 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.156 -2.982 -10.588 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.291 -4.469 -9.055 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -9.184 -3.141 -8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -11.242 -3.868 -8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.864 -3.951 -10.473 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.944 -3.959 -7.279 1.00 0.00 N ATOM 1176 CA TYR A 79 -5.102 -5.077 -6.895 1.00 0.00 C ATOM 1177 C TYR A 79 -5.411 -6.282 -7.764 1.00 0.00 C ATOM 1178 O TYR A 79 -6.557 -6.501 -8.160 1.00 0.00 O ATOM 1179 CB TYR A 79 -5.304 -5.436 -5.420 1.00 0.00 C ATOM 1180 CG TYR A 79 -4.939 -4.331 -4.452 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -3.621 -4.132 -4.057 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -5.913 -3.492 -3.923 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -3.286 -3.131 -3.166 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -5.586 -2.490 -3.030 1.00 0.00 C ATOM 1185 CZ TYR A 79 -4.273 -2.313 -2.655 1.00 0.00 C ATOM 1186 OH TYR A 79 -3.945 -1.318 -1.762 1.00 0.00 O ATOM 0 H TYR A 79 -6.705 -3.761 -6.630 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.062 -4.784 -7.038 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.348 -5.708 -5.265 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.707 -6.318 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.846 -4.771 -4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.944 -3.626 -4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.257 -2.989 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.356 -1.849 -2.628 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.694 -0.691 -1.681 1.00 0.00 H new ATOM 1196 N LEU A 80 -4.383 -7.047 -8.076 1.00 0.00 N ATOM 1197 CA LEU A 80 -4.544 -8.241 -8.876 1.00 0.00 C ATOM 1198 C LEU A 80 -4.221 -9.469 -8.038 1.00 0.00 C ATOM 1199 O LEU A 80 -3.888 -9.348 -6.856 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.651 -8.162 -10.115 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.996 -7.019 -11.074 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.937 -6.886 -12.153 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -5.363 -7.243 -11.701 1.00 0.00 C ATOM 0 H LEU A 80 -3.424 -6.860 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.578 -8.321 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.615 -8.050 -9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.717 -9.106 -10.656 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.024 -6.092 -10.502 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.201 -6.068 -12.824 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.971 -6.679 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.877 -7.815 -12.720 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.591 -6.421 -12.379 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.359 -8.181 -12.256 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.120 -7.288 -10.918 1.00 0.00 H new ATOM 1215 N GLY A 81 -4.315 -10.648 -8.629 1.00 0.00 N ATOM 1216 CA GLY A 81 -4.141 -11.850 -7.850 1.00 0.00 C ATOM 1217 C GLY A 81 -5.404 -12.177 -7.089 1.00 0.00 C ATOM 1218 O GLY A 81 -6.499 -11.841 -7.543 1.00 0.00 O ATOM 0 H GLY A 81 -4.506 -10.793 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.880 -12.680 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.313 -11.722 -7.153 1.00 0.00 H new ATOM 1222 N PRO A 82 -5.298 -12.845 -5.933 1.00 0.00 N ATOM 1223 CA PRO A 82 -6.455 -13.142 -5.079 1.00 0.00 C ATOM 1224 C PRO A 82 -7.115 -11.872 -4.531 1.00 0.00 C ATOM 1225 O PRO A 82 -8.203 -11.923 -3.962 1.00 0.00 O ATOM 1226 CB PRO A 82 -5.862 -13.969 -3.932 1.00 0.00 C ATOM 1227 CG PRO A 82 -4.535 -14.437 -4.426 1.00 0.00 C ATOM 1228 CD PRO A 82 -4.049 -13.373 -5.365 1.00 0.00 C ATOM 0 HA PRO A 82 -7.239 -13.660 -5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.755 -13.368 -3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.507 -14.811 -3.680 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.838 -14.577 -3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.624 -15.397 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.484 -12.601 -4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.395 -13.781 -6.136 1.00 0.00 H new ATOM 1236 N TYR A 83 -6.452 -10.734 -4.717 1.00 0.00 N ATOM 1237 CA TYR A 83 -6.966 -9.451 -4.251 1.00 0.00 C ATOM 1238 C TYR A 83 -7.625 -8.685 -5.397 1.00 0.00 C ATOM 1239 O TYR A 83 -7.778 -7.466 -5.334 1.00 0.00 O ATOM 1240 CB TYR A 83 -5.835 -8.619 -3.644 1.00 0.00 C ATOM 1241 CG TYR A 83 -5.289 -9.189 -2.355 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -4.249 -10.111 -2.361 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -5.815 -8.801 -1.131 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -3.753 -10.631 -1.180 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -5.323 -9.314 0.052 1.00 0.00 C ATOM 1246 CZ TYR A 83 -4.292 -10.228 0.022 1.00 0.00 C ATOM 1247 OH TYR A 83 -3.802 -10.742 1.200 1.00 0.00 O ATOM 0 H TYR A 83 -5.551 -10.675 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.718 -9.640 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.024 -8.540 -4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.198 -7.608 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.822 -10.426 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.623 -8.085 -1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.947 -11.350 -1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.744 -9.001 0.996 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.291 -10.353 1.955 1.00 0.00 H new ATOM 1257 N TYR A 84 -8.038 -9.424 -6.422 1.00 0.00 N ATOM 1258 CA TYR A 84 -8.666 -8.853 -7.609 1.00 0.00 C ATOM 1259 C TYR A 84 -9.962 -8.094 -7.250 1.00 0.00 C ATOM 1260 O TYR A 84 -10.386 -8.131 -6.094 1.00 0.00 O ATOM 1261 CB TYR A 84 -8.870 -9.958 -8.667 1.00 0.00 C ATOM 1262 CG TYR A 84 -9.794 -11.101 -8.281 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -9.520 -11.922 -7.195 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -10.934 -11.370 -9.031 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -10.351 -12.976 -6.868 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -11.765 -12.422 -8.714 1.00 0.00 C ATOM 1267 CZ TYR A 84 -11.472 -13.220 -7.632 1.00 0.00 C ATOM 1268 OH TYR A 84 -12.296 -14.278 -7.327 1.00 0.00 O ATOM 0 H TYR A 84 -7.946 -10.439 -6.453 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.007 -8.103 -8.048 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.260 -9.495 -9.574 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.895 -10.376 -8.916 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.642 -11.733 -6.595 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.172 -10.743 -9.877 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.124 -13.604 -6.020 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.642 -12.619 -9.312 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.040 -14.307 -7.964 1.00 0.00 H new ATOM 1278 N PRO A 85 -10.677 -7.513 -8.253 1.00 0.00 N ATOM 1279 CA PRO A 85 -11.501 -6.313 -8.182 1.00 0.00 C ATOM 1280 C PRO A 85 -11.433 -5.360 -6.963 1.00 0.00 C ATOM 1281 O PRO A 85 -12.124 -4.340 -6.966 1.00 0.00 O ATOM 1282 CB PRO A 85 -12.862 -6.934 -8.436 1.00 0.00 C ATOM 1283 CG PRO A 85 -12.551 -7.959 -9.508 1.00 0.00 C ATOM 1284 CD PRO A 85 -11.029 -8.102 -9.540 1.00 0.00 C ATOM 0 HA PRO A 85 -11.148 -5.556 -8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.273 -7.396 -7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.589 -6.197 -8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -13.026 -8.914 -9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.931 -7.635 -10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.712 -9.142 -9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.580 -7.567 -10.377 1.00 0.00 H new ATOM 1292 N LEU A 86 -10.629 -5.638 -5.955 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.416 -4.682 -4.879 1.00 0.00 C ATOM 1294 C LEU A 86 -9.573 -3.511 -5.387 1.00 0.00 C ATOM 1295 O LEU A 86 -8.409 -3.689 -5.755 1.00 0.00 O ATOM 1296 CB LEU A 86 -9.720 -5.354 -3.692 1.00 0.00 C ATOM 1297 CG LEU A 86 -9.456 -4.444 -2.491 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -10.763 -3.926 -1.912 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -8.656 -5.186 -1.433 1.00 0.00 C ATOM 0 H LEU A 86 -10.114 -6.513 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.384 -4.310 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.330 -6.195 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.769 -5.763 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.872 -3.587 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.553 -3.281 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.298 -3.358 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.376 -4.767 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.475 -4.526 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.215 -6.060 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.702 -5.504 -1.854 1.00 0.00 H new ATOM 1311 N LYS A 87 -10.166 -2.327 -5.447 1.00 0.00 N ATOM 1312 CA LYS A 87 -9.450 -1.140 -5.897 1.00 0.00 C ATOM 1313 C LYS A 87 -8.808 -0.398 -4.735 1.00 0.00 C ATOM 1314 O LYS A 87 -9.050 -0.702 -3.568 1.00 0.00 O ATOM 1315 CB LYS A 87 -10.390 -0.180 -6.621 1.00 0.00 C ATOM 1316 CG LYS A 87 -10.974 -0.730 -7.900 1.00 0.00 C ATOM 1317 CD LYS A 87 -11.740 0.347 -8.638 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.291 -0.164 -9.949 1.00 0.00 C ATOM 1319 NZ LYS A 87 -12.894 0.934 -10.754 1.00 0.00 N ATOM 0 H LYS A 87 -11.139 -2.162 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.671 -1.484 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.205 0.088 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.849 0.738 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.176 -1.117 -8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.636 -1.566 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.558 0.706 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.085 1.198 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.493 -0.639 -10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.043 -0.929 -9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.813 0.707 -11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.897 1.039 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.393 1.824 -10.558 1.00 0.00 H new ATOM 1333 N SER A 88 -7.987 0.577 -5.082 1.00 0.00 N ATOM 1334 CA SER A 88 -7.422 1.512 -4.131 1.00 0.00 C ATOM 1335 C SER A 88 -7.148 2.827 -4.855 1.00 0.00 C ATOM 1336 O SER A 88 -6.941 2.837 -6.070 1.00 0.00 O ATOM 1337 CB SER A 88 -6.147 0.936 -3.507 1.00 0.00 C ATOM 1338 OG SER A 88 -5.504 1.877 -2.673 1.00 0.00 O ATOM 0 H SER A 88 -7.692 0.742 -6.044 1.00 0.00 H new ATOM 0 HA SER A 88 -8.123 1.692 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.395 0.046 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.464 0.623 -4.297 1.00 0.00 H new ATOM 0 HG SER A 88 -6.175 2.457 -2.257 1.00 0.00 H new ATOM 1344 N THR A 89 -7.173 3.932 -4.130 1.00 0.00 N ATOM 1345 CA THR A 89 -7.060 5.237 -4.753 1.00 0.00 C ATOM 1346 C THR A 89 -5.817 5.975 -4.271 1.00 0.00 C ATOM 1347 O THR A 89 -5.449 5.909 -3.102 1.00 0.00 O ATOM 1348 CB THR A 89 -8.301 6.090 -4.458 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.473 5.268 -4.544 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.413 7.245 -5.444 1.00 0.00 C ATOM 0 H THR A 89 -7.270 3.951 -3.115 1.00 0.00 H new ATOM 0 HA THR A 89 -6.979 5.076 -5.828 1.00 0.00 H new ATOM 0 HB THR A 89 -8.209 6.504 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.267 5.810 -4.354 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.300 7.835 -5.214 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.528 7.876 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.491 6.852 -6.458 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.193 6.675 -5.193 1.00 0.00 N ATOM 1359 CA LEU A 90 -4.015 7.479 -4.909 1.00 0.00 C ATOM 1360 C LEU A 90 -4.311 8.923 -5.281 1.00 0.00 C ATOM 1361 O LEU A 90 -4.712 9.203 -6.405 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.809 6.971 -5.707 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.429 5.507 -5.470 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.293 5.094 -6.394 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -2.041 5.284 -4.017 1.00 0.00 C ATOM 0 H LEU A 90 -5.488 6.705 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.774 7.407 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.015 7.107 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.948 7.595 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.297 4.887 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.036 4.051 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.606 5.215 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.422 5.721 -6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.774 4.238 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.188 5.915 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.882 5.539 -3.373 1.00 0.00 H new ATOM 1377 N LYS A 91 -4.141 9.831 -4.344 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.520 11.217 -4.560 1.00 0.00 C ATOM 1379 C LYS A 91 -3.420 12.173 -4.130 1.00 0.00 C ATOM 1380 O LYS A 91 -2.561 11.827 -3.319 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.816 11.510 -3.803 1.00 0.00 C ATOM 1382 CG LYS A 91 -7.027 10.822 -4.410 1.00 0.00 C ATOM 1383 CD LYS A 91 -8.166 10.680 -3.417 1.00 0.00 C ATOM 1384 CE LYS A 91 -8.619 12.022 -2.870 1.00 0.00 C ATOM 1385 NZ LYS A 91 -9.801 11.875 -1.985 1.00 0.00 N ATOM 0 H LYS A 91 -3.743 9.638 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.678 11.370 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.705 11.191 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.986 12.587 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.370 11.391 -5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.738 9.835 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.008 10.183 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.850 10.041 -2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.803 12.485 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.862 12.690 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.127 12.815 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.564 11.394 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.541 11.313 -1.149 1.00 0.00 H new ATOM 1399 N ARG A 92 -3.453 13.369 -4.703 1.00 0.00 N ATOM 1400 CA ARG A 92 -2.498 14.420 -4.377 1.00 0.00 C ATOM 1401 C ARG A 92 -2.674 14.876 -2.930 1.00 0.00 C ATOM 1402 O ARG A 92 -3.793 14.922 -2.411 1.00 0.00 O ATOM 1403 CB ARG A 92 -2.694 15.592 -5.338 1.00 0.00 C ATOM 1404 CG ARG A 92 -4.089 16.164 -5.292 1.00 0.00 C ATOM 1405 CD ARG A 92 -4.331 17.159 -6.408 1.00 0.00 C ATOM 1406 NE ARG A 92 -3.461 18.328 -6.326 1.00 0.00 N ATOM 1407 CZ ARG A 92 -3.877 19.530 -5.928 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -5.124 19.697 -5.495 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -3.045 20.561 -5.957 1.00 0.00 N ATOM 0 H ARG A 92 -4.142 13.638 -5.406 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.485 14.032 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.977 16.377 -5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.476 15.262 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.815 15.354 -5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.249 16.652 -4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.178 16.665 -7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.371 17.484 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.481 18.219 -6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.765 18.904 -5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.439 20.618 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.087 20.434 -6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.363 21.481 -5.653 1.00 0.00 H new ATOM 1423 N GLY A 93 -1.568 15.205 -2.281 1.00 0.00 N ATOM 1424 CA GLY A 93 -1.618 15.610 -0.896 1.00 0.00 C ATOM 1425 C GLY A 93 -1.467 17.105 -0.713 1.00 0.00 C ATOM 1426 O GLY A 93 -1.513 17.870 -1.675 1.00 0.00 O ATOM 0 H GLY A 93 -0.635 15.198 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.566 15.290 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.828 15.100 -0.345 1.00 0.00 H new ATOM 1430 N GLU A 94 -1.268 17.512 0.529 1.00 0.00 N ATOM 1431 CA GLU A 94 -1.194 18.916 0.886 1.00 0.00 C ATOM 1432 C GLU A 94 0.225 19.457 0.752 1.00 0.00 C ATOM 1433 O GLU A 94 0.444 20.557 0.256 1.00 0.00 O ATOM 1434 CB GLU A 94 -1.702 19.091 2.318 1.00 0.00 C ATOM 1435 CG GLU A 94 -1.014 18.176 3.321 1.00 0.00 C ATOM 1436 CD GLU A 94 -1.618 18.259 4.702 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -1.245 19.168 5.465 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -2.464 17.406 5.033 1.00 0.00 O ATOM 0 H GLU A 94 -1.153 16.876 1.318 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.819 19.485 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.556 20.127 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.775 18.901 2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.072 17.147 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.043 18.435 3.376 1.00 0.00 H new ATOM 1445 N ASN A 95 1.183 18.661 1.181 1.00 0.00 N ATOM 1446 CA ASN A 95 2.581 19.080 1.194 1.00 0.00 C ATOM 1447 C ASN A 95 3.328 18.450 0.031 1.00 0.00 C ATOM 1448 O ASN A 95 4.557 18.406 0.017 1.00 0.00 O ATOM 1449 CB ASN A 95 3.250 18.663 2.509 1.00 0.00 C ATOM 1450 CG ASN A 95 2.561 19.227 3.739 1.00 0.00 C ATOM 1451 OD1 ASN A 95 2.519 18.581 4.786 1.00 0.00 O ATOM 1452 ND2 ASN A 95 2.037 20.436 3.635 1.00 0.00 N ATOM 0 H ASN A 95 1.024 17.715 1.528 1.00 0.00 H new ATOM 0 HA ASN A 95 2.614 20.166 1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.261 17.575 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.289 18.992 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.578 20.864 4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.091 20.941 2.750 1.00 0.00 H new ATOM 1459 N GLY A 96 2.577 17.987 -0.956 1.00 0.00 N ATOM 1460 CA GLY A 96 3.160 17.210 -2.027 1.00 0.00 C ATOM 1461 C GLY A 96 3.323 15.765 -1.609 1.00 0.00 C ATOM 1462 O GLY A 96 4.277 15.092 -1.997 1.00 0.00 O ATOM 0 H GLY A 96 1.571 18.137 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.527 17.269 -2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.129 17.627 -2.300 1.00 0.00 H new ATOM 1466 N THR A 97 2.387 15.307 -0.793 1.00 0.00 N ATOM 1467 CA THR A 97 2.404 13.956 -0.266 1.00 0.00 C ATOM 1468 C THR A 97 1.349 13.107 -0.955 1.00 0.00 C ATOM 1469 O THR A 97 0.593 13.612 -1.779 1.00 0.00 O ATOM 1470 CB THR A 97 2.166 13.956 1.255 1.00 0.00 C ATOM 1471 OG1 THR A 97 1.072 14.827 1.582 1.00 0.00 O ATOM 1472 CG2 THR A 97 3.418 14.401 1.998 1.00 0.00 C ATOM 0 H THR A 97 1.593 15.865 -0.478 1.00 0.00 H new ATOM 0 HA THR A 97 3.388 13.530 -0.462 1.00 0.00 H new ATOM 0 HB THR A 97 1.923 12.939 1.563 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.926 14.820 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.226 14.393 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.238 13.719 1.771 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.688 15.410 1.685 1.00 0.00 H new ATOM 1480 N LEU A 98 1.304 11.823 -0.640 1.00 0.00 N ATOM 1481 CA LEU A 98 0.376 10.930 -1.302 1.00 0.00 C ATOM 1482 C LEU A 98 -0.780 10.577 -0.377 1.00 0.00 C ATOM 1483 O LEU A 98 -0.575 10.174 0.771 1.00 0.00 O ATOM 1484 CB LEU A 98 1.091 9.656 -1.764 1.00 0.00 C ATOM 1485 CG LEU A 98 0.220 8.656 -2.531 1.00 0.00 C ATOM 1486 CD1 LEU A 98 -0.293 9.271 -3.827 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.004 7.383 -2.812 1.00 0.00 C ATOM 0 H LEU A 98 1.895 11.381 0.064 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.023 11.442 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.931 9.940 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.506 9.155 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.642 8.403 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.909 8.544 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.889 10.155 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.552 9.555 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.374 6.681 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.883 7.622 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.317 6.933 -1.870 1.00 0.00 H new ATOM 1499 N ILE A 99 -1.989 10.754 -0.873 1.00 0.00 N ATOM 1500 CA ILE A 99 -3.172 10.327 -0.159 1.00 0.00 C ATOM 1501 C ILE A 99 -3.598 8.967 -0.685 1.00 0.00 C ATOM 1502 O ILE A 99 -4.059 8.845 -1.818 1.00 0.00 O ATOM 1503 CB ILE A 99 -4.328 11.330 -0.336 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -3.880 12.735 0.076 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.549 10.892 0.463 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -3.561 12.871 1.548 1.00 0.00 C ATOM 0 H ILE A 99 -2.176 11.194 -1.774 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.935 10.270 0.903 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.608 11.354 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.998 13.009 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.665 13.446 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.353 11.614 0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.878 9.912 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.291 10.836 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.252 13.894 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.447 12.630 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.754 12.186 1.810 1.00 0.00 H new ATOM 1518 N TRP A 100 -3.420 7.953 0.133 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.703 6.590 -0.261 1.00 0.00 C ATOM 1520 C TRP A 100 -5.018 6.142 0.353 1.00 0.00 C ATOM 1521 O TRP A 100 -5.132 6.016 1.562 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.548 5.682 0.184 1.00 0.00 C ATOM 1523 CG TRP A 100 -2.752 4.224 -0.094 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -3.529 3.669 -1.066 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -2.147 3.133 0.608 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -3.459 2.303 -1.002 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -2.615 1.946 0.015 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -1.260 3.043 1.685 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -2.224 0.687 0.459 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 -0.870 1.792 2.125 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -1.353 0.628 1.513 1.00 0.00 C ATOM 0 H TRP A 100 -3.076 8.049 1.088 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.795 6.528 -1.345 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.635 6.008 -0.314 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -2.392 5.815 1.254 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.115 4.225 -1.783 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.956 1.655 -1.614 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.886 3.935 2.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -2.595 -0.212 -0.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.182 1.711 2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -1.032 -0.335 1.880 1.00 0.00 H new ATOM 1542 N GLU A 101 -6.017 5.922 -0.474 1.00 0.00 N ATOM 1543 CA GLU A 101 -7.300 5.469 0.018 1.00 0.00 C ATOM 1544 C GLU A 101 -7.475 3.997 -0.283 1.00 0.00 C ATOM 1545 O GLU A 101 -7.262 3.536 -1.406 1.00 0.00 O ATOM 1546 CB GLU A 101 -8.427 6.310 -0.573 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.662 7.599 0.205 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.634 8.545 -0.472 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -10.591 8.068 -1.114 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -9.449 9.778 -0.362 1.00 0.00 O ATOM 0 H GLU A 101 -5.967 6.049 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.338 5.596 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.190 6.553 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.346 5.724 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.039 7.352 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.709 8.109 0.345 1.00 0.00 H new ATOM 1557 N GLN A 102 -7.870 3.273 0.734 1.00 0.00 N ATOM 1558 CA GLN A 102 -7.870 1.823 0.683 1.00 0.00 C ATOM 1559 C GLN A 102 -8.960 1.261 1.591 1.00 0.00 C ATOM 1560 O GLN A 102 -8.974 1.537 2.791 1.00 0.00 O ATOM 1561 CB GLN A 102 -6.475 1.321 1.090 1.00 0.00 C ATOM 1562 CG GLN A 102 -6.261 -0.176 0.949 1.00 0.00 C ATOM 1563 CD GLN A 102 -6.290 -0.892 2.288 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -5.932 -0.319 3.322 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -6.691 -2.148 2.275 1.00 0.00 N ATOM 0 H GLN A 102 -8.199 3.663 1.617 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.088 1.479 -0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.730 1.837 0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.294 1.602 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.033 -0.591 0.301 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.303 -0.359 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.978 -2.583 1.398 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -6.714 -2.685 3.142 1.00 0.00 H new ATOM 1574 N ASN A 103 -9.892 0.510 1.000 1.00 0.00 N ATOM 1575 CA ASN A 103 -10.996 -0.112 1.745 1.00 0.00 C ATOM 1576 C ASN A 103 -11.883 0.933 2.416 1.00 0.00 C ATOM 1577 O ASN A 103 -12.586 0.641 3.382 1.00 0.00 O ATOM 1578 CB ASN A 103 -10.470 -1.112 2.783 1.00 0.00 C ATOM 1579 CG ASN A 103 -10.347 -2.519 2.225 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -11.110 -2.922 1.349 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -9.385 -3.280 2.727 1.00 0.00 N ATOM 0 H ASN A 103 -9.906 0.315 -0.001 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.605 -0.654 1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.495 -0.780 3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.139 -1.123 3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.259 -4.233 2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.770 -2.912 3.453 1.00 0.00 H new ATOM 1588 N GLY A 104 -11.861 2.149 1.884 1.00 0.00 N ATOM 1589 CA GLY A 104 -12.701 3.208 2.408 1.00 0.00 C ATOM 1590 C GLY A 104 -11.983 4.080 3.417 1.00 0.00 C ATOM 1591 O GLY A 104 -12.502 5.116 3.833 1.00 0.00 O ATOM 0 H GLY A 104 -11.274 2.421 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.053 3.828 1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.582 2.769 2.876 1.00 0.00 H new ATOM 1595 N GLN A 105 -10.789 3.667 3.813 1.00 0.00 N ATOM 1596 CA GLN A 105 -10.008 4.424 4.773 1.00 0.00 C ATOM 1597 C GLN A 105 -9.045 5.353 4.053 1.00 0.00 C ATOM 1598 O GLN A 105 -8.482 4.993 3.016 1.00 0.00 O ATOM 1599 CB GLN A 105 -9.221 3.484 5.687 1.00 0.00 C ATOM 1600 CG GLN A 105 -10.080 2.439 6.377 1.00 0.00 C ATOM 1601 CD GLN A 105 -9.304 1.639 7.405 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -8.713 0.606 7.092 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -9.289 2.117 8.640 1.00 0.00 N ATOM 0 H GLN A 105 -10.342 2.812 3.483 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.695 5.015 5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.453 2.980 5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.706 4.075 6.444 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.923 2.929 6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.493 1.761 5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.792 2.977 8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.775 1.625 9.371 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.857 6.547 4.598 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.905 7.490 4.039 1.00 0.00 C ATOM 1614 C ARG A 106 -6.565 7.339 4.743 1.00 0.00 C ATOM 1615 O ARG A 106 -6.447 7.585 5.944 1.00 0.00 O ATOM 1616 CB ARG A 106 -8.420 8.933 4.159 1.00 0.00 C ATOM 1617 CG ARG A 106 -7.475 9.973 3.571 1.00 0.00 C ATOM 1618 CD ARG A 106 -6.667 10.684 4.649 1.00 0.00 C ATOM 1619 NE ARG A 106 -7.489 11.617 5.424 1.00 0.00 N ATOM 1620 CZ ARG A 106 -7.013 12.483 6.324 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -5.716 12.505 6.621 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -7.846 13.323 6.928 1.00 0.00 N ATOM 0 H ARG A 106 -9.351 6.883 5.425 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.779 7.272 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.385 9.008 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.589 9.162 5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.796 9.490 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.050 10.707 3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.227 9.945 5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.842 11.226 4.186 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.497 11.605 5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.076 11.858 6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.362 13.169 7.309 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.841 13.304 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.491 13.987 7.616 1.00 0.00 H new ATOM 1636 N LYS A 107 -5.565 6.927 3.990 1.00 0.00 N ATOM 1637 CA LYS A 107 -4.232 6.728 4.514 1.00 0.00 C ATOM 1638 C LYS A 107 -3.308 7.837 4.047 1.00 0.00 C ATOM 1639 O LYS A 107 -3.060 7.991 2.852 1.00 0.00 O ATOM 1640 CB LYS A 107 -3.717 5.380 4.088 1.00 0.00 C ATOM 1641 CG LYS A 107 -4.497 4.325 4.796 1.00 0.00 C ATOM 1642 CD LYS A 107 -3.957 2.949 4.599 1.00 0.00 C ATOM 1643 CE LYS A 107 -4.486 2.104 5.717 1.00 0.00 C ATOM 1644 NZ LYS A 107 -4.339 0.647 5.463 1.00 0.00 N ATOM 0 H LYS A 107 -5.656 6.721 2.995 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.266 6.759 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.815 5.262 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.657 5.289 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.513 4.551 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.530 4.354 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.266 2.548 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.867 2.958 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.963 2.361 6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.540 2.336 5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.627 0.116 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.941 0.372 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.346 0.432 5.241 1.00 0.00 H new ATOM 1658 N THR A 108 -2.819 8.623 4.975 1.00 0.00 N ATOM 1659 CA THR A 108 -1.922 9.706 4.632 1.00 0.00 C ATOM 1660 C THR A 108 -0.485 9.228 4.736 1.00 0.00 C ATOM 1661 O THR A 108 -0.030 8.826 5.808 1.00 0.00 O ATOM 1662 CB THR A 108 -2.146 10.931 5.539 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.508 11.372 5.418 1.00 0.00 O ATOM 1664 CG2 THR A 108 -1.206 12.068 5.167 1.00 0.00 C ATOM 0 H THR A 108 -3.024 8.536 5.970 1.00 0.00 H new ATOM 0 HA THR A 108 -2.130 10.013 3.607 1.00 0.00 H new ATOM 0 HB THR A 108 -1.939 10.640 6.569 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.525 12.296 5.093 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.387 12.919 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.173 11.737 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.384 12.363 4.133 1.00 0.00 H new ATOM 1672 N MET A 109 0.219 9.255 3.613 1.00 0.00 N ATOM 1673 CA MET A 109 1.559 8.709 3.546 1.00 0.00 C ATOM 1674 C MET A 109 2.580 9.824 3.658 1.00 0.00 C ATOM 1675 O MET A 109 2.406 10.897 3.073 1.00 0.00 O ATOM 1676 CB MET A 109 1.763 7.952 2.230 1.00 0.00 C ATOM 1677 CG MET A 109 0.795 6.792 2.005 1.00 0.00 C ATOM 1678 SD MET A 109 1.187 5.325 2.982 1.00 0.00 S ATOM 1679 CE MET A 109 0.606 5.788 4.611 1.00 0.00 C ATOM 0 H MET A 109 -0.120 9.651 2.736 1.00 0.00 H new ATOM 0 HA MET A 109 1.692 8.015 4.376 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.665 8.655 1.403 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.783 7.567 2.202 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.216 7.121 2.247 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.799 6.526 0.948 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.237 4.904 5.130 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.427 6.226 5.179 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.199 6.516 4.517 1.00 0.00 H new ATOM 1689 N THR A 110 3.636 9.572 4.402 1.00 0.00 N ATOM 1690 CA THR A 110 4.653 10.576 4.617 1.00 0.00 C ATOM 1691 C THR A 110 5.787 10.399 3.621 1.00 0.00 C ATOM 1692 O THR A 110 6.146 9.278 3.258 1.00 0.00 O ATOM 1693 CB THR A 110 5.229 10.496 6.040 1.00 0.00 C ATOM 1694 OG1 THR A 110 4.296 9.844 6.912 1.00 0.00 O ATOM 1695 CG2 THR A 110 5.537 11.886 6.578 1.00 0.00 C ATOM 0 H THR A 110 3.811 8.681 4.867 1.00 0.00 H new ATOM 0 HA THR A 110 4.182 11.550 4.480 1.00 0.00 H new ATOM 0 HB THR A 110 6.155 9.922 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.739 9.097 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.943 11.804 7.586 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.267 12.373 5.931 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.622 12.478 6.603 1.00 0.00 H new ATOM 1703 N ARG A 111 6.338 11.510 3.176 1.00 0.00 N ATOM 1704 CA ARG A 111 7.453 11.487 2.248 1.00 0.00 C ATOM 1705 C ARG A 111 8.730 11.199 3.010 1.00 0.00 C ATOM 1706 O ARG A 111 9.009 11.850 4.018 1.00 0.00 O ATOM 1707 CB ARG A 111 7.582 12.828 1.524 1.00 0.00 C ATOM 1708 CG ARG A 111 8.784 12.907 0.594 1.00 0.00 C ATOM 1709 CD ARG A 111 9.085 14.342 0.191 1.00 0.00 C ATOM 1710 NE ARG A 111 7.962 14.974 -0.500 1.00 0.00 N ATOM 1711 CZ ARG A 111 7.477 16.180 -0.197 1.00 0.00 C ATOM 1712 NH1 ARG A 111 8.001 16.890 0.798 1.00 0.00 N ATOM 1713 NH2 ARG A 111 6.460 16.670 -0.886 1.00 0.00 N ATOM 0 H ARG A 111 6.031 12.445 3.443 1.00 0.00 H new ATOM 0 HA ARG A 111 7.277 10.708 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.675 13.008 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.653 13.625 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.655 12.476 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.595 12.310 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.334 14.922 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.962 14.359 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 111 7.521 14.460 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.781 16.514 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.623 17.811 1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.050 16.127 -1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.086 17.591 -0.658 1.00 0.00 H new ATOM 1727 N ILE A 112 9.492 10.225 2.551 1.00 0.00 N ATOM 1728 CA ILE A 112 10.749 9.917 3.191 1.00 0.00 C ATOM 1729 C ILE A 112 11.781 10.962 2.809 1.00 0.00 C ATOM 1730 O ILE A 112 11.829 11.429 1.669 1.00 0.00 O ATOM 1731 CB ILE A 112 11.252 8.516 2.811 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.175 7.476 3.129 1.00 0.00 C ATOM 1733 CG2 ILE A 112 12.548 8.179 3.534 1.00 0.00 C ATOM 1734 CD1 ILE A 112 9.929 7.284 4.613 1.00 0.00 C ATOM 0 H ILE A 112 9.263 9.641 1.746 1.00 0.00 H new ATOM 0 HA ILE A 112 10.592 9.928 4.270 1.00 0.00 H new ATOM 0 HB ILE A 112 11.458 8.503 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.242 7.775 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.465 6.521 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.878 7.181 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.314 8.907 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.382 8.207 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.153 6.532 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.849 6.954 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.607 8.228 5.054 1.00 0.00 H new ATOM 1746 N GLU A 113 12.610 11.292 3.766 1.00 0.00 N ATOM 1747 CA GLU A 113 13.596 12.347 3.621 1.00 0.00 C ATOM 1748 C GLU A 113 14.783 12.000 4.496 1.00 0.00 C ATOM 1749 O GLU A 113 14.611 11.693 5.682 1.00 0.00 O ATOM 1750 CB GLU A 113 12.990 13.702 4.019 1.00 0.00 C ATOM 1751 CG GLU A 113 13.892 14.901 3.748 1.00 0.00 C ATOM 1752 CD GLU A 113 13.216 16.228 4.055 1.00 0.00 C ATOM 1753 OE1 GLU A 113 12.446 16.726 3.203 1.00 0.00 O ATOM 1754 OE2 GLU A 113 13.454 16.789 5.146 1.00 0.00 O ATOM 0 H GLU A 113 12.625 10.836 4.678 1.00 0.00 H new ATOM 0 HA GLU A 113 13.918 12.429 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 113 12.053 13.839 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 113 12.746 13.679 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 113 14.797 14.812 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.201 14.889 2.703 1.00 0.00 H new