USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 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 29 GLN : amide:sc= 0.111 K(o=1.8,f=-6!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 168:sc= 1.68 (180deg=1.24) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 34 SER OG : rot -31:sc= 1.28 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 0.961 (180deg=0.483) USER MOD Single : A 41 GLN : amide:sc= -0.081 X(o=-0.081,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.63 K(o=0.63,f=-0.49) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0189 X(o=0.019,f=-0.042) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.6) USER MOD Single : A 61 SER OG : rot 85:sc= 1.17 USER MOD Single : A 62 SER OG : rot -170:sc= 0.0734 USER MOD Single : A 63 GLN : amide:sc= -0.4 K(o=-0.4,f=-1.2) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 67 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.4) USER MOD Single : A 68 ASN : amide:sc=-0.00378 X(o=-0.0038,f=-0.00037) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.39) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 106:sc= 1.22 USER MOD Single : A 81 MET CE :methyl -147:sc= -0.084 (180deg=-0.59) USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.21) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A 107 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -0.088 11.529 -4.861 1.00 0.00 N ATOM 244 CA LEU A 16 0.866 11.047 -3.883 1.00 0.00 C ATOM 245 C LEU A 16 0.857 9.521 -4.048 1.00 0.00 C ATOM 246 O LEU A 16 1.912 8.899 -4.095 1.00 0.00 O ATOM 247 CB LEU A 16 0.413 11.568 -2.504 1.00 0.00 C ATOM 248 CG LEU A 16 1.288 11.241 -1.281 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.668 9.776 -1.059 1.00 0.00 C ATOM 250 CD2 LEU A 16 2.540 12.116 -1.386 1.00 0.00 C ATOM 0 HA LEU A 16 1.892 11.394 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.325 12.652 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.587 11.178 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 16 0.679 11.454 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.284 9.692 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.764 9.180 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.227 9.411 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.194 11.919 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.068 11.886 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.251 13.167 -1.385 1.00 0.00 H new ATOM 262 N ALA A 17 -0.325 8.909 -4.227 1.00 0.00 N ATOM 263 CA ALA A 17 -0.422 7.490 -4.528 1.00 0.00 C ATOM 264 C ALA A 17 0.321 7.144 -5.826 1.00 0.00 C ATOM 265 O ALA A 17 0.926 6.082 -5.881 1.00 0.00 O ATOM 266 CB ALA A 17 -1.879 7.024 -4.620 1.00 0.00 C ATOM 0 H ALA A 17 -1.225 9.386 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 17 0.052 6.961 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.906 5.958 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.380 7.206 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.388 7.576 -5.410 1.00 0.00 H new ATOM 272 N ALA A 18 0.300 8.005 -6.852 1.00 0.00 N ATOM 273 CA ALA A 18 1.023 7.785 -8.103 1.00 0.00 C ATOM 274 C ALA A 18 2.537 7.792 -7.867 1.00 0.00 C ATOM 275 O ALA A 18 3.230 6.898 -8.354 1.00 0.00 O ATOM 276 CB ALA A 18 0.635 8.830 -9.157 1.00 0.00 C ATOM 0 H ALA A 18 -0.225 8.880 -6.833 1.00 0.00 H new ATOM 0 HA ALA A 18 0.741 6.803 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.188 8.642 -10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.435 8.765 -9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.875 9.827 -8.787 1.00 0.00 H new ATOM 282 N GLU A 19 3.045 8.764 -7.106 1.00 0.00 N ATOM 283 CA GLU A 19 4.452 8.855 -6.717 1.00 0.00 C ATOM 284 C GLU A 19 4.868 7.604 -5.938 1.00 0.00 C ATOM 285 O GLU A 19 5.928 7.030 -6.202 1.00 0.00 O ATOM 286 CB GLU A 19 4.680 10.101 -5.845 1.00 0.00 C ATOM 287 CG GLU A 19 4.681 11.424 -6.620 1.00 0.00 C ATOM 288 CD GLU A 19 5.936 11.584 -7.473 1.00 0.00 C ATOM 289 OE1 GLU A 19 7.043 11.731 -6.903 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.831 11.560 -8.721 1.00 0.00 O ATOM 0 H GLU A 19 2.476 9.526 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 19 5.057 8.932 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.904 10.142 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.633 9.997 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.799 11.471 -7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.611 12.255 -5.919 1.00 0.00 H new ATOM 297 N ALA A 20 4.025 7.174 -4.994 1.00 0.00 N ATOM 298 CA ALA A 20 4.240 5.992 -4.177 1.00 0.00 C ATOM 299 C ALA A 20 4.247 4.739 -5.048 1.00 0.00 C ATOM 300 O ALA A 20 5.126 3.891 -4.911 1.00 0.00 O ATOM 301 CB ALA A 20 3.162 5.916 -3.086 1.00 0.00 C ATOM 0 H ALA A 20 3.153 7.657 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 20 5.213 6.058 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.325 5.029 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.217 6.805 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.178 5.860 -3.551 1.00 0.00 H new ATOM 307 N ILE A 21 3.291 4.628 -5.966 1.00 0.00 N ATOM 308 CA ILE A 21 3.240 3.552 -6.939 1.00 0.00 C ATOM 309 C ILE A 21 4.541 3.527 -7.735 1.00 0.00 C ATOM 310 O ILE A 21 5.106 2.460 -7.948 1.00 0.00 O ATOM 311 CB ILE A 21 1.969 3.704 -7.818 1.00 0.00 C ATOM 312 CG1 ILE A 21 0.755 3.102 -7.084 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.149 3.059 -9.197 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.588 3.384 -7.769 1.00 0.00 C ATOM 0 H ILE A 21 2.523 5.293 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 21 3.158 2.583 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 21 1.796 4.767 -7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.891 2.024 -7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.724 3.497 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.237 3.187 -9.781 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.982 3.535 -9.715 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.356 1.996 -9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.393 2.928 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.748 4.461 -7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.579 2.964 -8.775 1.00 0.00 H new ATOM 326 N GLU A 22 5.040 4.687 -8.156 1.00 0.00 N ATOM 327 CA GLU A 22 6.221 4.725 -8.996 1.00 0.00 C ATOM 328 C GLU A 22 7.466 4.339 -8.158 1.00 0.00 C ATOM 329 O GLU A 22 8.509 3.988 -8.713 1.00 0.00 O ATOM 330 CB GLU A 22 6.280 6.111 -9.661 1.00 0.00 C ATOM 331 CG GLU A 22 7.450 6.305 -10.623 1.00 0.00 C ATOM 332 CD GLU A 22 7.340 5.343 -11.815 1.00 0.00 C ATOM 333 OE1 GLU A 22 7.789 4.175 -11.725 1.00 0.00 O ATOM 334 OE2 GLU A 22 6.782 5.733 -12.865 1.00 0.00 O ATOM 0 H GLU A 22 4.646 5.600 -7.929 1.00 0.00 H new ATOM 0 HA GLU A 22 6.189 3.992 -9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.349 6.279 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.337 6.871 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.466 7.334 -10.981 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.390 6.135 -10.098 1.00 0.00 H new ATOM 341 N ARG A 23 7.356 4.317 -6.821 1.00 0.00 N ATOM 342 CA ARG A 23 8.421 3.941 -5.894 1.00 0.00 C ATOM 343 C ARG A 23 8.301 2.487 -5.420 1.00 0.00 C ATOM 344 O ARG A 23 9.285 1.958 -4.898 1.00 0.00 O ATOM 345 CB ARG A 23 8.417 4.927 -4.701 1.00 0.00 C ATOM 346 CG ARG A 23 9.824 5.130 -4.123 1.00 0.00 C ATOM 347 CD ARG A 23 9.884 6.257 -3.082 1.00 0.00 C ATOM 348 NE ARG A 23 11.244 6.778 -2.807 1.00 0.00 N ATOM 349 CZ ARG A 23 12.341 6.110 -2.412 1.00 0.00 C ATOM 350 NH1 ARG A 23 12.396 4.783 -2.415 1.00 0.00 N ATOM 351 NH2 ARG A 23 13.410 6.777 -1.997 1.00 0.00 N ATOM 0 H ARG A 23 6.491 4.570 -6.344 1.00 0.00 H new ATOM 0 HA ARG A 23 9.374 4.004 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.015 5.887 -5.025 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.755 4.551 -3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.161 4.200 -3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.516 5.354 -4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.257 7.081 -3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.454 5.894 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 23 11.364 7.783 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.590 4.240 -2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.245 4.307 -2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.399 7.797 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.243 6.270 -1.697 1.00 0.00 H new ATOM 365 N ASP A 24 7.161 1.809 -5.603 1.00 0.00 N ATOM 366 CA ASP A 24 6.943 0.465 -5.056 1.00 0.00 C ATOM 367 C ASP A 24 6.396 -0.511 -6.099 1.00 0.00 C ATOM 368 O ASP A 24 5.322 -0.260 -6.654 1.00 0.00 O ATOM 369 CB ASP A 24 5.970 0.488 -3.880 1.00 0.00 C ATOM 370 CG ASP A 24 6.047 -0.845 -3.140 1.00 0.00 C ATOM 371 OD1 ASP A 24 6.941 -1.025 -2.285 1.00 0.00 O ATOM 372 OD2 ASP A 24 5.247 -1.747 -3.449 1.00 0.00 O ATOM 0 H ASP A 24 6.369 2.174 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 24 7.925 0.125 -4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.216 1.307 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.955 0.662 -4.236 1.00 0.00 H new ATOM 377 N PRO A 25 7.072 -1.646 -6.348 1.00 0.00 N ATOM 378 CA PRO A 25 6.618 -2.615 -7.331 1.00 0.00 C ATOM 379 C PRO A 25 5.245 -3.190 -6.973 1.00 0.00 C ATOM 380 O PRO A 25 4.380 -3.261 -7.847 1.00 0.00 O ATOM 381 CB PRO A 25 7.717 -3.678 -7.412 1.00 0.00 C ATOM 382 CG PRO A 25 8.497 -3.542 -6.108 1.00 0.00 C ATOM 383 CD PRO A 25 8.314 -2.080 -5.724 1.00 0.00 C ATOM 0 HA PRO A 25 6.466 -2.156 -8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.293 -4.677 -7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.361 -3.514 -8.276 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.109 -4.209 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.549 -3.791 -6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.266 -1.966 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.154 -1.479 -6.071 1.00 0.00 H new ATOM 391 N TRP A 26 5.002 -3.569 -5.714 1.00 0.00 N ATOM 392 CA TRP A 26 3.698 -4.075 -5.317 1.00 0.00 C ATOM 393 C TRP A 26 2.635 -3.001 -5.487 1.00 0.00 C ATOM 394 O TRP A 26 1.573 -3.311 -6.017 1.00 0.00 O ATOM 395 CB TRP A 26 3.676 -4.619 -3.886 1.00 0.00 C ATOM 396 CG TRP A 26 2.351 -5.155 -3.444 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.683 -4.746 -2.346 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.504 -6.164 -4.071 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.471 -5.394 -2.258 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.312 -6.292 -3.297 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.629 -6.996 -5.205 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.707 -7.191 -3.647 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.641 -7.942 -5.529 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.529 -8.035 -4.757 1.00 0.00 C ATOM 0 H TRP A 26 5.690 -3.533 -4.962 1.00 0.00 H new ATOM 0 HA TRP A 26 3.478 -4.914 -5.977 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.420 -5.411 -3.801 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.977 -3.824 -3.204 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.046 -4.016 -1.638 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.218 -5.233 -1.523 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.501 -6.904 -5.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.619 -7.234 -3.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.782 -8.599 -6.374 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.291 -8.755 -5.016 1.00 0.00 H new ATOM 415 N ALA A 27 2.879 -1.748 -5.086 1.00 0.00 N ATOM 416 CA ALA A 27 1.861 -0.716 -5.246 1.00 0.00 C ATOM 417 C ALA A 27 1.456 -0.579 -6.720 1.00 0.00 C ATOM 418 O ALA A 27 0.260 -0.467 -7.009 1.00 0.00 O ATOM 419 CB ALA A 27 2.359 0.617 -4.698 1.00 0.00 C ATOM 0 H ALA A 27 3.751 -1.434 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 27 0.980 -1.012 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.586 1.375 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.591 0.511 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.257 0.920 -5.237 1.00 0.00 H new ATOM 425 N ALA A 28 2.420 -0.600 -7.648 1.00 0.00 N ATOM 426 CA ALA A 28 2.126 -0.560 -9.075 1.00 0.00 C ATOM 427 C ALA A 28 1.312 -1.779 -9.490 1.00 0.00 C ATOM 428 O ALA A 28 0.301 -1.646 -10.184 1.00 0.00 O ATOM 429 CB ALA A 28 3.431 -0.472 -9.879 1.00 0.00 C ATOM 0 H ALA A 28 3.415 -0.645 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 28 1.530 0.328 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.201 -0.443 -10.944 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.970 0.433 -9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.049 -1.344 -9.665 1.00 0.00 H new ATOM 435 N GLN A 29 1.720 -2.960 -9.042 1.00 0.00 N ATOM 436 CA GLN A 29 1.022 -4.196 -9.344 1.00 0.00 C ATOM 437 C GLN A 29 -0.423 -4.135 -8.841 1.00 0.00 C ATOM 438 O GLN A 29 -1.330 -4.492 -9.585 1.00 0.00 O ATOM 439 CB GLN A 29 1.824 -5.374 -8.780 1.00 0.00 C ATOM 440 CG GLN A 29 3.061 -5.612 -9.665 1.00 0.00 C ATOM 441 CD GLN A 29 3.936 -6.779 -9.217 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.845 -7.289 -8.104 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.791 -7.247 -10.105 1.00 0.00 N ATOM 0 H GLN A 29 2.547 -3.084 -8.458 1.00 0.00 H new ATOM 0 HA GLN A 29 0.950 -4.342 -10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.130 -5.164 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.205 -6.271 -8.751 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.732 -5.791 -10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.664 -4.704 -9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.857 -6.815 -11.026 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.386 -8.041 -9.871 1.00 0.00 H new ATOM 452 N VAL A 30 -0.679 -3.609 -7.642 1.00 0.00 N ATOM 453 CA VAL A 30 -2.018 -3.470 -7.067 1.00 0.00 C ATOM 454 C VAL A 30 -2.904 -2.558 -7.905 1.00 0.00 C ATOM 455 O VAL A 30 -4.113 -2.798 -7.991 1.00 0.00 O ATOM 456 CB VAL A 30 -1.907 -3.004 -5.598 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.230 -2.577 -4.946 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.362 -4.162 -4.772 1.00 0.00 C ATOM 0 H VAL A 30 0.057 -3.259 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.507 -4.444 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.262 -2.126 -5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.045 -2.268 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.658 -1.744 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.927 -3.415 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.275 -3.856 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.040 -5.012 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.380 -4.448 -5.150 1.00 0.00 H new ATOM 468 N SER A 31 -2.331 -1.544 -8.548 1.00 0.00 N ATOM 469 CA SER A 31 -3.087 -0.713 -9.466 1.00 0.00 C ATOM 470 C SER A 31 -3.585 -1.583 -10.626 1.00 0.00 C ATOM 471 O SER A 31 -4.763 -1.505 -10.976 1.00 0.00 O ATOM 472 CB SER A 31 -2.219 0.478 -9.884 1.00 0.00 C ATOM 473 OG SER A 31 -2.907 1.377 -10.725 1.00 0.00 O ATOM 0 H SER A 31 -1.350 -1.283 -8.448 1.00 0.00 H new ATOM 0 HA SER A 31 -3.978 -0.289 -9.003 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.879 1.006 -8.993 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.329 0.113 -10.397 1.00 0.00 H new ATOM 0 HG SER A 31 -2.315 2.120 -10.964 1.00 0.00 H new ATOM 479 N GLN A 32 -2.743 -2.478 -11.154 1.00 0.00 N ATOM 480 CA GLN A 32 -3.114 -3.348 -12.265 1.00 0.00 C ATOM 481 C GLN A 32 -4.041 -4.486 -11.803 1.00 0.00 C ATOM 482 O GLN A 32 -4.863 -4.972 -12.586 1.00 0.00 O ATOM 483 CB GLN A 32 -1.838 -3.860 -12.967 1.00 0.00 C ATOM 484 CG GLN A 32 -2.222 -4.760 -14.150 1.00 0.00 C ATOM 485 CD GLN A 32 -1.132 -5.097 -15.161 1.00 0.00 C ATOM 486 OE1 GLN A 32 -1.450 -5.540 -16.267 1.00 0.00 O ATOM 487 NE2 GLN A 32 0.141 -4.933 -14.840 1.00 0.00 N ATOM 0 H GLN A 32 -1.789 -2.616 -10.821 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.689 -2.777 -12.994 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.242 -3.018 -13.317 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.221 -4.415 -12.261 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.609 -5.696 -13.748 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.041 -4.280 -14.686 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.392 -4.566 -13.922 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.871 -5.174 -15.510 1.00 0.00 H new ATOM 496 N LEU A 33 -3.953 -4.898 -10.534 1.00 0.00 N ATOM 497 CA LEU A 33 -4.858 -5.891 -9.957 1.00 0.00 C ATOM 498 C LEU A 33 -6.266 -5.329 -9.791 1.00 0.00 C ATOM 499 O LEU A 33 -7.205 -6.111 -9.656 1.00 0.00 O ATOM 500 CB LEU A 33 -4.375 -6.367 -8.576 1.00 0.00 C ATOM 501 CG LEU A 33 -3.047 -7.137 -8.497 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.037 -8.022 -7.252 1.00 0.00 C ATOM 503 CD2 LEU A 33 -2.797 -7.992 -9.729 1.00 0.00 C ATOM 0 H LEU A 33 -3.251 -4.551 -9.880 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.869 -6.730 -10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.291 -5.491 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.153 -7.001 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.248 -6.398 -8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.094 -8.566 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.147 -7.401 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.863 -8.732 -7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.846 -8.515 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.601 -8.720 -9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.764 -7.355 -10.613 1.00 0.00 H new ATOM 515 N SER A 34 -6.383 -3.999 -9.763 1.00 0.00 N ATOM 516 CA SER A 34 -7.597 -3.194 -9.660 1.00 0.00 C ATOM 517 C SER A 34 -8.675 -3.901 -8.824 1.00 0.00 C ATOM 518 O SER A 34 -9.754 -4.235 -9.311 1.00 0.00 O ATOM 519 CB SER A 34 -8.094 -2.806 -11.063 1.00 0.00 C ATOM 520 OG SER A 34 -7.040 -2.528 -11.977 1.00 0.00 O ATOM 0 H SER A 34 -5.554 -3.407 -9.817 1.00 0.00 H new ATOM 0 HA SER A 34 -7.362 -2.272 -9.128 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.706 -3.615 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.737 -1.930 -10.983 1.00 0.00 H new ATOM 0 HG SER A 34 -6.273 -2.161 -11.490 1.00 0.00 H new ATOM 526 N LEU A 35 -8.364 -4.188 -7.558 1.00 0.00 N ATOM 527 CA LEU A 35 -9.266 -4.890 -6.651 1.00 0.00 C ATOM 528 C LEU A 35 -10.514 -4.025 -6.392 1.00 0.00 C ATOM 529 O LEU A 35 -10.427 -2.807 -6.553 1.00 0.00 O ATOM 530 CB LEU A 35 -8.559 -5.174 -5.319 1.00 0.00 C ATOM 531 CG LEU A 35 -7.378 -6.163 -5.302 1.00 0.00 C ATOM 532 CD1 LEU A 35 -7.607 -7.415 -6.155 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.064 -5.475 -5.670 1.00 0.00 C ATOM 0 H LEU A 35 -7.471 -3.937 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.562 -5.834 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.199 -4.223 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.309 -5.543 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.306 -6.513 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.733 -8.063 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.482 -7.951 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.769 -7.124 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.253 -6.203 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.143 -5.051 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.857 -4.679 -4.954 1.00 0.00 H new ATOM 545 N PRO A 36 -11.644 -4.606 -5.942 1.00 0.00 N ATOM 546 CA PRO A 36 -12.875 -3.867 -5.659 1.00 0.00 C ATOM 547 C PRO A 36 -12.719 -2.920 -4.453 1.00 0.00 C ATOM 548 O PRO A 36 -12.269 -1.787 -4.609 1.00 0.00 O ATOM 549 CB PRO A 36 -13.955 -4.949 -5.493 1.00 0.00 C ATOM 550 CG PRO A 36 -13.174 -6.179 -5.040 1.00 0.00 C ATOM 551 CD PRO A 36 -11.893 -6.039 -5.856 1.00 0.00 C ATOM 0 HA PRO A 36 -13.151 -3.183 -6.461 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.703 -4.657 -4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.483 -5.133 -6.428 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.981 -6.171 -3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.703 -7.106 -5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.062 -6.554 -5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.008 -6.478 -6.847 1.00 0.00 H new ATOM 559 N LYS A 37 -13.084 -3.348 -3.236 1.00 0.00 N ATOM 560 CA LYS A 37 -12.949 -2.530 -2.030 1.00 0.00 C ATOM 561 C LYS A 37 -12.568 -3.380 -0.823 1.00 0.00 C ATOM 562 O LYS A 37 -11.695 -3.006 -0.045 1.00 0.00 O ATOM 563 CB LYS A 37 -14.245 -1.727 -1.791 1.00 0.00 C ATOM 564 CG LYS A 37 -13.974 -0.342 -1.170 1.00 0.00 C ATOM 565 CD LYS A 37 -14.359 0.821 -2.102 1.00 0.00 C ATOM 566 CE LYS A 37 -13.634 0.848 -3.457 1.00 0.00 C ATOM 567 NZ LYS A 37 -12.218 1.242 -3.366 1.00 0.00 N ATOM 0 H LYS A 37 -13.481 -4.272 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.136 -1.819 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.770 -1.601 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.904 -2.294 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.531 -0.253 -0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.916 -0.264 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.433 0.778 -2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.161 1.760 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.698 -0.140 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.152 1.539 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.736 1.014 -4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.153 2.265 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.764 0.726 -2.585 1.00 0.00 H new ATOM 581 N LEU A 38 -13.180 -4.555 -0.667 1.00 0.00 N ATOM 582 CA LEU A 38 -12.827 -5.521 0.369 1.00 0.00 C ATOM 583 C LEU A 38 -11.415 -6.031 0.082 1.00 0.00 C ATOM 584 O LEU A 38 -10.502 -5.841 0.879 1.00 0.00 O ATOM 585 CB LEU A 38 -13.883 -6.646 0.389 1.00 0.00 C ATOM 586 CG LEU A 38 -13.831 -7.634 1.570 1.00 0.00 C ATOM 587 CD1 LEU A 38 -12.566 -8.498 1.595 1.00 0.00 C ATOM 588 CD2 LEU A 38 -14.029 -6.920 2.909 1.00 0.00 C ATOM 0 H LEU A 38 -13.945 -4.865 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.824 -5.071 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.870 -6.184 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.787 -7.217 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.665 -8.318 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.600 -9.168 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.508 -9.085 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.688 -7.856 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.986 -7.648 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.242 -6.178 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.000 -6.425 2.917 1.00 0.00 H new ATOM 600 N VAL A 39 -11.226 -6.643 -1.089 1.00 0.00 N ATOM 601 CA VAL A 39 -9.955 -7.258 -1.471 1.00 0.00 C ATOM 602 C VAL A 39 -8.890 -6.176 -1.700 1.00 0.00 C ATOM 603 O VAL A 39 -7.698 -6.421 -1.529 1.00 0.00 O ATOM 604 CB VAL A 39 -10.154 -8.168 -2.702 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.937 -9.072 -2.932 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.407 -9.047 -2.556 1.00 0.00 C ATOM 0 H VAL A 39 -11.953 -6.726 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.595 -7.892 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.278 -7.507 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.110 -9.700 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.053 -8.457 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.782 -9.703 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.516 -9.675 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.308 -9.678 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.287 -8.412 -2.451 1.00 0.00 H new ATOM 616 N GLU A 40 -9.316 -4.961 -2.050 1.00 0.00 N ATOM 617 CA GLU A 40 -8.438 -3.808 -2.171 1.00 0.00 C ATOM 618 C GLU A 40 -7.798 -3.563 -0.810 1.00 0.00 C ATOM 619 O GLU A 40 -6.584 -3.432 -0.724 1.00 0.00 O ATOM 620 CB GLU A 40 -9.279 -2.617 -2.639 1.00 0.00 C ATOM 621 CG GLU A 40 -8.513 -1.292 -2.726 1.00 0.00 C ATOM 622 CD GLU A 40 -9.451 -0.087 -2.630 1.00 0.00 C ATOM 623 OE1 GLU A 40 -10.374 -0.076 -1.782 1.00 0.00 O ATOM 624 OE2 GLU A 40 -9.272 0.905 -3.370 1.00 0.00 O ATOM 0 H GLU A 40 -10.293 -4.753 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.642 -3.966 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.696 -2.846 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.120 -2.492 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.777 -1.244 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.963 -1.251 -3.666 1.00 0.00 H new ATOM 631 N GLN A 41 -8.589 -3.576 0.263 1.00 0.00 N ATOM 632 CA GLN A 41 -8.103 -3.356 1.613 1.00 0.00 C ATOM 633 C GLN A 41 -7.058 -4.399 2.028 1.00 0.00 C ATOM 634 O GLN A 41 -6.191 -4.080 2.839 1.00 0.00 O ATOM 635 CB GLN A 41 -9.308 -3.335 2.559 1.00 0.00 C ATOM 636 CG GLN A 41 -9.075 -2.478 3.803 1.00 0.00 C ATOM 637 CD GLN A 41 -10.414 -2.085 4.411 1.00 0.00 C ATOM 638 OE1 GLN A 41 -11.132 -1.253 3.863 1.00 0.00 O ATOM 639 NE2 GLN A 41 -10.815 -2.682 5.515 1.00 0.00 N ATOM 0 H GLN A 41 -9.594 -3.742 0.212 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.587 -2.397 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.178 -2.957 2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.540 -4.355 2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.482 -3.030 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.507 -1.585 3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.216 -3.373 5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.724 -2.454 5.917 1.00 0.00 H new ATOM 648 N VAL A 42 -7.106 -5.615 1.480 1.00 0.00 N ATOM 649 CA VAL A 42 -6.093 -6.641 1.708 1.00 0.00 C ATOM 650 C VAL A 42 -4.820 -6.241 0.985 1.00 0.00 C ATOM 651 O VAL A 42 -3.780 -6.089 1.621 1.00 0.00 O ATOM 652 CB VAL A 42 -6.610 -8.018 1.253 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.569 -9.144 1.301 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.763 -8.399 2.171 1.00 0.00 C ATOM 0 H VAL A 42 -7.858 -5.916 0.860 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.874 -6.724 2.773 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.899 -7.917 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.024 -10.075 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.731 -8.893 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.211 -9.265 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.156 -9.373 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.408 -8.446 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.552 -7.651 2.093 1.00 0.00 H new ATOM 664 N ALA A 43 -4.903 -6.049 -0.333 1.00 0.00 N ATOM 665 CA ALA A 43 -3.760 -5.683 -1.151 1.00 0.00 C ATOM 666 C ALA A 43 -3.097 -4.392 -0.651 1.00 0.00 C ATOM 667 O ALA A 43 -1.883 -4.241 -0.779 1.00 0.00 O ATOM 668 CB ALA A 43 -4.233 -5.539 -2.597 1.00 0.00 C ATOM 0 H ALA A 43 -5.772 -6.145 -0.859 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.001 -6.463 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.389 -5.264 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.650 -6.486 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.997 -4.764 -2.654 1.00 0.00 H new ATOM 674 N LEU A 44 -3.890 -3.486 -0.071 1.00 0.00 N ATOM 675 CA LEU A 44 -3.453 -2.221 0.485 1.00 0.00 C ATOM 676 C LEU A 44 -2.780 -2.398 1.838 1.00 0.00 C ATOM 677 O LEU A 44 -1.818 -1.681 2.098 1.00 0.00 O ATOM 678 CB LEU A 44 -4.609 -1.217 0.630 1.00 0.00 C ATOM 679 CG LEU A 44 -5.023 -0.503 -0.672 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.205 0.424 -0.358 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.890 0.335 -1.284 1.00 0.00 C ATOM 0 H LEU A 44 -4.895 -3.629 0.023 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.729 -1.822 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.477 -1.741 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.325 -0.464 1.365 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.287 -1.270 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.514 0.940 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.038 -0.165 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.904 1.157 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.243 0.812 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.578 1.100 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.044 -0.312 -1.516 1.00 0.00 H new ATOM 693 N ASN A 45 -3.265 -3.299 2.706 1.00 0.00 N ATOM 694 CA ASN A 45 -2.718 -3.415 4.066 1.00 0.00 C ATOM 695 C ASN A 45 -1.738 -4.576 4.175 1.00 0.00 C ATOM 696 O ASN A 45 -1.474 -5.067 5.277 1.00 0.00 O ATOM 697 CB ASN A 45 -3.818 -3.458 5.133 1.00 0.00 C ATOM 698 CG ASN A 45 -4.504 -2.109 5.263 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.073 -1.237 6.014 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.597 -1.919 4.548 1.00 0.00 N ATOM 0 H ASN A 45 -4.023 -3.948 2.495 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.149 -2.507 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.553 -4.220 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.388 -3.745 6.092 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.101 -1.035 4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.937 -2.656 3.931 1.00 0.00 H new ATOM 707 N ALA A 46 -1.188 -5.022 3.044 1.00 0.00 N ATOM 708 CA ALA A 46 -0.154 -6.027 2.998 1.00 0.00 C ATOM 709 C ALA A 46 0.981 -5.578 2.095 1.00 0.00 C ATOM 710 O ALA A 46 0.774 -4.842 1.132 1.00 0.00 O ATOM 711 CB ALA A 46 -0.733 -7.346 2.483 1.00 0.00 C ATOM 0 H ALA A 46 -1.462 -4.681 2.123 1.00 0.00 H new ATOM 0 HA ALA A 46 0.235 -6.173 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.053 -8.100 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.529 -7.679 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.137 -7.200 1.481 1.00 0.00 H new ATOM 717 N TRP A 47 2.183 -6.038 2.419 1.00 0.00 N ATOM 718 CA TRP A 47 3.370 -5.842 1.606 1.00 0.00 C ATOM 719 C TRP A 47 3.652 -7.208 0.993 1.00 0.00 C ATOM 720 O TRP A 47 3.439 -8.248 1.629 1.00 0.00 O ATOM 721 CB TRP A 47 4.549 -5.304 2.419 1.00 0.00 C ATOM 722 CG TRP A 47 4.995 -6.124 3.582 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.554 -5.997 4.851 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.036 -7.145 3.618 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.282 -6.830 5.672 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.226 -7.550 4.972 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.886 -7.715 2.650 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.193 -8.499 5.343 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.863 -8.655 3.017 1.00 0.00 C ATOM 730 CH2 TRP A 47 8.009 -9.059 4.350 1.00 0.00 C ATOM 0 H TRP A 47 2.360 -6.568 3.272 1.00 0.00 H new ATOM 0 HA TRP A 47 3.216 -5.084 0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.397 -5.180 1.746 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.285 -4.312 2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.756 -5.345 5.173 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.139 -6.905 6.679 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.785 -7.426 1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.306 -8.792 6.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.511 -9.072 2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.749 -9.801 4.613 1.00 0.00 H new ATOM 741 N LYS A 48 4.063 -7.220 -0.268 1.00 0.00 N ATOM 742 CA LYS A 48 4.238 -8.450 -1.013 1.00 0.00 C ATOM 743 C LYS A 48 5.679 -8.912 -0.901 1.00 0.00 C ATOM 744 O LYS A 48 6.599 -8.107 -1.033 1.00 0.00 O ATOM 745 CB LYS A 48 3.796 -8.179 -2.455 1.00 0.00 C ATOM 746 CG LYS A 48 3.788 -9.419 -3.348 1.00 0.00 C ATOM 747 CD LYS A 48 4.952 -9.455 -4.348 1.00 0.00 C ATOM 748 CE LYS A 48 4.739 -8.507 -5.527 1.00 0.00 C ATOM 749 NZ LYS A 48 5.849 -8.552 -6.501 1.00 0.00 N ATOM 0 H LYS A 48 4.283 -6.377 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 48 3.630 -9.262 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.795 -7.747 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.459 -7.433 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.829 -10.310 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.846 -9.458 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.876 -9.190 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.075 -10.472 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.808 -8.764 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.629 -7.489 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.569 -8.054 -7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.688 -8.092 -6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.073 -9.542 -6.726 1.00 0.00 H new ATOM 763 N GLU A 49 5.860 -10.205 -0.665 1.00 0.00 N ATOM 764 CA GLU A 49 7.136 -10.888 -0.650 1.00 0.00 C ATOM 765 C GLU A 49 6.988 -11.954 -1.724 1.00 0.00 C ATOM 766 O GLU A 49 6.244 -12.921 -1.545 1.00 0.00 O ATOM 767 CB GLU A 49 7.433 -11.468 0.734 1.00 0.00 C ATOM 768 CG GLU A 49 8.841 -12.070 0.855 1.00 0.00 C ATOM 769 CD GLU A 49 9.968 -11.069 0.556 1.00 0.00 C ATOM 770 OE1 GLU A 49 10.342 -10.904 -0.630 1.00 0.00 O ATOM 771 OE2 GLU A 49 10.511 -10.450 1.503 1.00 0.00 O ATOM 0 H GLU A 49 5.079 -10.832 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 49 7.982 -10.232 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.316 -10.683 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.696 -12.238 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.973 -12.462 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.926 -12.914 0.171 1.00 0.00 H new ATOM 778 N GLU A 50 7.565 -11.703 -2.891 1.00 0.00 N ATOM 779 CA GLU A 50 7.523 -12.633 -4.005 1.00 0.00 C ATOM 780 C GLU A 50 8.606 -13.690 -3.799 1.00 0.00 C ATOM 781 O GLU A 50 9.751 -13.358 -3.471 1.00 0.00 O ATOM 782 CB GLU A 50 7.671 -11.845 -5.310 1.00 0.00 C ATOM 783 CG GLU A 50 7.613 -12.738 -6.554 1.00 0.00 C ATOM 784 CD GLU A 50 6.971 -12.095 -7.792 1.00 0.00 C ATOM 785 OE1 GLU A 50 6.470 -10.945 -7.761 1.00 0.00 O ATOM 786 OE2 GLU A 50 6.935 -12.811 -8.818 1.00 0.00 O ATOM 0 H GLU A 50 8.077 -10.844 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 50 6.571 -13.161 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.881 -11.097 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.619 -11.307 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.627 -13.045 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.059 -13.643 -6.306 1.00 0.00 H new ATOM 793 N SER A 51 8.240 -14.954 -3.985 1.00 0.00 N ATOM 794 CA SER A 51 9.074 -16.124 -3.835 1.00 0.00 C ATOM 795 C SER A 51 9.351 -16.671 -5.239 1.00 0.00 C ATOM 796 O SER A 51 8.875 -16.107 -6.236 1.00 0.00 O ATOM 797 CB SER A 51 8.313 -17.131 -2.966 1.00 0.00 C ATOM 798 OG SER A 51 7.854 -16.555 -1.749 1.00 0.00 O ATOM 0 H SER A 51 7.289 -15.196 -4.263 1.00 0.00 H new ATOM 0 HA SER A 51 10.026 -15.906 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.462 -17.520 -3.525 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.962 -17.978 -2.743 1.00 0.00 H new ATOM 0 HG SER A 51 7.373 -17.231 -1.228 1.00 0.00 H new ATOM 804 N ASP A 52 10.139 -17.738 -5.345 1.00 0.00 N ATOM 805 CA ASP A 52 10.556 -18.341 -6.613 1.00 0.00 C ATOM 806 C ASP A 52 9.357 -18.570 -7.535 1.00 0.00 C ATOM 807 O ASP A 52 9.392 -18.177 -8.704 1.00 0.00 O ATOM 808 CB ASP A 52 11.304 -19.643 -6.325 1.00 0.00 C ATOM 809 CG ASP A 52 12.060 -20.244 -7.512 1.00 0.00 C ATOM 810 OD1 ASP A 52 11.964 -19.760 -8.664 1.00 0.00 O ATOM 811 OD2 ASP A 52 12.779 -21.240 -7.271 1.00 0.00 O ATOM 0 H ASP A 52 10.517 -18.222 -4.530 1.00 0.00 H new ATOM 0 HA ASP A 52 11.226 -17.659 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.014 -19.463 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.588 -20.380 -5.961 1.00 0.00 H new ATOM 816 N ASN A 53 8.272 -19.156 -7.020 1.00 0.00 N ATOM 817 CA ASN A 53 7.014 -19.307 -7.754 1.00 0.00 C ATOM 818 C ASN A 53 5.805 -19.252 -6.811 1.00 0.00 C ATOM 819 O ASN A 53 4.839 -20.012 -6.961 1.00 0.00 O ATOM 820 CB ASN A 53 7.011 -20.557 -8.651 1.00 0.00 C ATOM 821 CG ASN A 53 6.087 -20.326 -9.845 1.00 0.00 C ATOM 822 OD1 ASN A 53 6.411 -19.546 -10.741 1.00 0.00 O ATOM 823 ND2 ASN A 53 4.932 -20.962 -9.903 1.00 0.00 N ATOM 0 H ASN A 53 8.243 -19.541 -6.076 1.00 0.00 H new ATOM 0 HA ASN A 53 6.926 -18.455 -8.428 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.022 -20.772 -8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.677 -21.425 -8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.304 -20.808 -10.692 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.667 -21.607 -9.159 1.00 0.00 H new ATOM 830 N ALA A 54 5.867 -18.385 -5.797 1.00 0.00 N ATOM 831 CA ALA A 54 4.764 -18.119 -4.894 1.00 0.00 C ATOM 832 C ALA A 54 4.807 -16.627 -4.594 1.00 0.00 C ATOM 833 O ALA A 54 5.801 -15.964 -4.900 1.00 0.00 O ATOM 834 CB ALA A 54 4.898 -18.964 -3.616 1.00 0.00 C ATOM 0 H ALA A 54 6.704 -17.843 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 54 3.806 -18.389 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.062 -18.751 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.894 -20.022 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.834 -18.718 -3.114 1.00 0.00 H new ATOM 840 N VAL A 55 3.751 -16.084 -4.003 1.00 0.00 N ATOM 841 CA VAL A 55 3.704 -14.681 -3.624 1.00 0.00 C ATOM 842 C VAL A 55 2.998 -14.593 -2.275 1.00 0.00 C ATOM 843 O VAL A 55 1.823 -14.930 -2.168 1.00 0.00 O ATOM 844 CB VAL A 55 3.039 -13.843 -4.741 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.050 -12.377 -4.320 1.00 0.00 C ATOM 846 CG2 VAL A 55 3.803 -13.899 -6.077 1.00 0.00 C ATOM 0 H VAL A 55 2.904 -16.604 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 55 4.702 -14.257 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 55 2.039 -14.253 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.584 -11.772 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.495 -12.262 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.079 -12.049 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.285 -13.291 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.813 -13.515 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.852 -14.931 -6.425 1.00 0.00 H new ATOM 856 N CYS A 56 3.697 -14.164 -1.229 1.00 0.00 N ATOM 857 CA CYS A 56 3.147 -14.085 0.113 1.00 0.00 C ATOM 858 C CYS A 56 2.903 -12.623 0.466 1.00 0.00 C ATOM 859 O CYS A 56 3.843 -11.837 0.566 1.00 0.00 O ATOM 860 CB CYS A 56 4.099 -14.744 1.105 1.00 0.00 C ATOM 861 SG CYS A 56 4.290 -16.499 0.681 1.00 0.00 S ATOM 0 H CYS A 56 4.668 -13.860 -1.293 1.00 0.00 H new ATOM 0 HA CYS A 56 2.197 -14.618 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.068 -14.245 1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.712 -14.643 2.119 1.00 0.00 H new ATOM 0 HG CYS A 56 5.103 -17.063 1.524 1.00 0.00 H new ATOM 867 N LEU A 57 1.643 -12.246 0.647 1.00 0.00 N ATOM 868 CA LEU A 57 1.235 -10.929 1.108 1.00 0.00 C ATOM 869 C LEU A 57 1.252 -10.921 2.626 1.00 0.00 C ATOM 870 O LEU A 57 0.383 -11.508 3.262 1.00 0.00 O ATOM 871 CB LEU A 57 -0.151 -10.578 0.540 1.00 0.00 C ATOM 872 CG LEU A 57 0.008 -9.952 -0.850 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.311 -9.901 -1.614 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.532 -8.519 -0.764 1.00 0.00 C ATOM 0 H LEU A 57 0.855 -12.869 0.471 1.00 0.00 H new ATOM 0 HA LEU A 57 1.927 -10.165 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.768 -11.475 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.663 -9.884 1.206 1.00 0.00 H new ATOM 0 HG LEU A 57 0.718 -10.591 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.147 -9.450 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.697 -10.912 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.032 -9.305 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.632 -8.107 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.167 -7.910 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.505 -8.516 -0.272 1.00 0.00 H new ATOM 886 N HIS A 58 2.262 -10.294 3.219 1.00 0.00 N ATOM 887 CA HIS A 58 2.354 -10.113 4.660 1.00 0.00 C ATOM 888 C HIS A 58 1.386 -8.992 5.026 1.00 0.00 C ATOM 889 O HIS A 58 1.704 -7.821 4.818 1.00 0.00 O ATOM 890 CB HIS A 58 3.798 -9.776 5.049 1.00 0.00 C ATOM 891 CG HIS A 58 4.836 -10.853 4.795 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.717 -11.371 5.730 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.174 -11.380 3.576 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.576 -12.177 5.077 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.244 -12.229 3.777 1.00 0.00 N ATOM 0 H HIS A 58 3.047 -9.894 2.706 1.00 0.00 H new ATOM 0 HA HIS A 58 2.087 -11.020 5.202 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.097 -8.879 4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.816 -9.528 6.110 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.692 -11.170 2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.405 -12.701 5.530 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.702 -12.796 3.063 1.00 0.00 H new ATOM 904 N LEU A 59 0.187 -9.341 5.490 1.00 0.00 N ATOM 905 CA LEU A 59 -0.857 -8.401 5.875 1.00 0.00 C ATOM 906 C LEU A 59 -0.653 -8.029 7.335 1.00 0.00 C ATOM 907 O LEU A 59 -0.445 -8.912 8.171 1.00 0.00 O ATOM 908 CB LEU A 59 -2.244 -9.038 5.672 1.00 0.00 C ATOM 909 CG LEU A 59 -3.392 -8.029 5.919 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.212 -7.752 4.661 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.379 -8.534 6.968 1.00 0.00 C ATOM 0 H LEU A 59 -0.090 -10.315 5.611 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.802 -7.506 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.318 -9.428 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.355 -9.885 6.348 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.891 -7.121 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.003 -7.038 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.564 -7.338 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.655 -8.681 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.168 -7.796 7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.818 -9.474 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.857 -8.694 7.911 1.00 0.00 H new ATOM 923 N ARG A 60 -0.758 -6.734 7.645 1.00 0.00 N ATOM 924 CA ARG A 60 -0.704 -6.256 9.020 1.00 0.00 C ATOM 925 C ARG A 60 -1.749 -6.987 9.850 1.00 0.00 C ATOM 926 O ARG A 60 -2.936 -6.942 9.522 1.00 0.00 O ATOM 927 CB ARG A 60 -0.954 -4.741 9.098 1.00 0.00 C ATOM 928 CG ARG A 60 0.285 -3.888 8.801 1.00 0.00 C ATOM 929 CD ARG A 60 1.357 -4.055 9.893 1.00 0.00 C ATOM 930 NE ARG A 60 2.245 -2.881 9.948 1.00 0.00 N ATOM 931 CZ ARG A 60 2.104 -1.819 10.754 1.00 0.00 C ATOM 932 NH1 ARG A 60 1.152 -1.807 11.689 1.00 0.00 N ATOM 933 NH2 ARG A 60 2.902 -0.764 10.617 1.00 0.00 N ATOM 0 H ARG A 60 -0.882 -5.996 6.952 1.00 0.00 H new ATOM 0 HA ARG A 60 0.294 -6.455 9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.742 -4.476 8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.322 -4.495 10.094 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.701 -4.172 7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.002 -2.839 8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.876 -4.197 10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.945 -4.951 9.695 1.00 0.00 H new ATOM 0 HE ARG A 60 3.043 -2.876 9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.529 -2.608 11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.048 -0.997 12.300 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.624 -0.761 9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.792 0.042 11.232 1.00 0.00 H new ATOM 947 N SER A 61 -1.331 -7.551 10.982 1.00 0.00 N ATOM 948 CA SER A 61 -2.216 -8.177 11.953 1.00 0.00 C ATOM 949 C SER A 61 -3.284 -7.175 12.417 1.00 0.00 C ATOM 950 O SER A 61 -4.410 -7.546 12.752 1.00 0.00 O ATOM 951 CB SER A 61 -1.385 -8.712 13.124 1.00 0.00 C ATOM 952 OG SER A 61 -2.164 -9.498 14.002 1.00 0.00 O ATOM 0 H SER A 61 -0.348 -7.584 11.252 1.00 0.00 H new ATOM 0 HA SER A 61 -2.738 -9.018 11.496 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.557 -9.308 12.740 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.950 -7.877 13.673 1.00 0.00 H new ATOM 0 HG SER A 61 -2.206 -10.418 13.667 1.00 0.00 H new ATOM 958 N SER A 62 -2.972 -5.881 12.348 1.00 0.00 N ATOM 959 CA SER A 62 -3.858 -4.771 12.645 1.00 0.00 C ATOM 960 C SER A 62 -5.158 -4.916 11.838 1.00 0.00 C ATOM 961 O SER A 62 -6.257 -4.832 12.390 1.00 0.00 O ATOM 962 CB SER A 62 -3.091 -3.476 12.326 1.00 0.00 C ATOM 963 OG SER A 62 -1.729 -3.571 12.732 1.00 0.00 O ATOM 0 H SER A 62 -2.042 -5.569 12.068 1.00 0.00 H new ATOM 0 HA SER A 62 -4.153 -4.751 13.694 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.141 -3.275 11.256 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.566 -2.635 12.831 1.00 0.00 H new ATOM 0 HG SER A 62 -1.305 -2.690 12.665 1.00 0.00 H new ATOM 969 N GLN A 63 -5.036 -5.257 10.552 1.00 0.00 N ATOM 970 CA GLN A 63 -6.129 -5.431 9.596 1.00 0.00 C ATOM 971 C GLN A 63 -6.468 -6.911 9.361 1.00 0.00 C ATOM 972 O GLN A 63 -7.204 -7.214 8.421 1.00 0.00 O ATOM 973 CB GLN A 63 -5.786 -4.714 8.270 1.00 0.00 C ATOM 974 CG GLN A 63 -6.115 -3.216 8.310 1.00 0.00 C ATOM 975 CD GLN A 63 -5.202 -2.424 9.235 1.00 0.00 C ATOM 976 OE1 GLN A 63 -3.980 -2.496 9.150 1.00 0.00 O ATOM 977 NE2 GLN A 63 -5.769 -1.671 10.161 1.00 0.00 N ATOM 0 H GLN A 63 -4.124 -5.428 10.129 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.023 -4.976 10.022 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.726 -4.844 8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.337 -5.182 7.454 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.042 -2.808 7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.148 -3.086 8.632 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.786 -1.618 10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.190 -1.143 10.814 1.00 0.00 H new ATOM 986 N ARG A 64 -6.031 -7.851 10.210 1.00 0.00 N ATOM 987 CA ARG A 64 -6.216 -9.280 9.938 1.00 0.00 C ATOM 988 C ARG A 64 -7.647 -9.750 9.756 1.00 0.00 C ATOM 989 O ARG A 64 -7.818 -10.796 9.136 1.00 0.00 O ATOM 990 CB ARG A 64 -5.498 -10.145 10.973 1.00 0.00 C ATOM 991 CG ARG A 64 -6.046 -10.109 12.408 1.00 0.00 C ATOM 992 CD ARG A 64 -6.934 -11.316 12.745 1.00 0.00 C ATOM 993 NE ARG A 64 -7.134 -11.421 14.199 1.00 0.00 N ATOM 994 CZ ARG A 64 -6.235 -11.859 15.091 1.00 0.00 C ATOM 995 NH1 ARG A 64 -5.039 -12.305 14.724 1.00 0.00 N ATOM 996 NH2 ARG A 64 -6.538 -11.848 16.375 1.00 0.00 N ATOM 0 H ARG A 64 -5.550 -7.648 11.086 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.758 -9.410 8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.521 -11.178 10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.451 -9.842 11.002 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.211 -10.073 13.108 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.620 -9.193 12.548 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.898 -11.216 12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.474 -12.230 12.369 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.043 -11.133 14.562 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.781 -12.321 13.737 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.378 -12.631 15.429 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.450 -11.508 16.681 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.861 -12.179 17.062 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.669 -9.003 10.182 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.039 -9.406 9.879 1.00 0.00 C ATOM 1012 C HIS A 65 -10.300 -9.456 8.367 1.00 0.00 C ATOM 1013 O HIS A 65 -11.259 -10.099 7.943 1.00 0.00 O ATOM 1014 CB HIS A 65 -11.057 -8.488 10.569 1.00 0.00 C ATOM 1015 CG HIS A 65 -12.295 -9.262 10.928 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -12.378 -10.187 11.950 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -13.472 -9.276 10.236 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -13.602 -10.746 11.886 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -14.284 -10.201 10.859 1.00 0.00 N ATOM 0 H HIS A 65 -8.577 -8.142 10.721 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.165 -10.415 10.272 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.617 -8.055 11.467 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.316 -7.659 9.910 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.719 -8.680 9.370 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -13.977 -11.509 12.552 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.240 -10.433 10.588 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.481 -8.770 7.562 1.00 0.00 N ATOM 1029 CA LEU A 66 -9.576 -8.734 6.110 1.00 0.00 C ATOM 1030 C LEU A 66 -8.816 -9.905 5.476 1.00 0.00 C ATOM 1031 O LEU A 66 -9.079 -10.218 4.317 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.002 -7.400 5.580 1.00 0.00 C ATOM 1033 CG LEU A 66 -9.865 -6.132 5.725 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -11.082 -6.198 4.802 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -10.310 -5.820 7.161 1.00 0.00 C ATOM 0 H LEU A 66 -8.710 -8.208 7.922 1.00 0.00 H new ATOM 0 HA LEU A 66 -10.628 -8.818 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.055 -7.219 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.776 -7.531 4.522 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.213 -5.310 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.678 -5.293 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.750 -6.281 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.687 -7.067 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.912 -4.911 7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.902 -6.650 7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.432 -5.677 7.791 1.00 0.00 H new ATOM 1047 N ASN A 67 -7.872 -10.551 6.177 1.00 0.00 N ATOM 1048 CA ASN A 67 -7.203 -11.736 5.640 1.00 0.00 C ATOM 1049 C ASN A 67 -8.141 -12.923 5.771 1.00 0.00 C ATOM 1050 O ASN A 67 -8.175 -13.586 6.808 1.00 0.00 O ATOM 1051 CB ASN A 67 -5.862 -12.066 6.323 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.379 -13.455 5.904 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.556 -13.862 4.759 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -4.769 -14.209 6.803 1.00 0.00 N ATOM 0 H ASN A 67 -7.560 -10.273 7.107 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.965 -11.520 4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.116 -11.318 6.054 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.978 -12.026 7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.439 -15.140 6.549 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.628 -13.859 7.751 1.00 0.00 H new ATOM 1061 N ASN A 68 -8.939 -13.154 4.740 1.00 0.00 N ATOM 1062 CA ASN A 68 -9.801 -14.320 4.633 1.00 0.00 C ATOM 1063 C ASN A 68 -9.613 -14.946 3.251 1.00 0.00 C ATOM 1064 O ASN A 68 -9.405 -14.225 2.270 1.00 0.00 O ATOM 1065 CB ASN A 68 -11.248 -13.945 4.977 1.00 0.00 C ATOM 1066 CG ASN A 68 -11.996 -13.254 3.845 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -11.795 -12.080 3.566 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -12.899 -13.956 3.187 1.00 0.00 N ATOM 0 H ASN A 68 -9.007 -12.525 3.940 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.528 -15.084 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.789 -14.848 5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.245 -13.291 5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.437 -13.520 2.438 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.059 -14.934 3.427 1.00 0.00 H new ATOM 1075 N ARG A 69 -9.699 -16.278 3.132 1.00 0.00 N ATOM 1076 CA ARG A 69 -9.451 -16.973 1.858 1.00 0.00 C ATOM 1077 C ARG A 69 -10.417 -16.511 0.767 1.00 0.00 C ATOM 1078 O ARG A 69 -10.078 -16.532 -0.415 1.00 0.00 O ATOM 1079 CB ARG A 69 -9.530 -18.500 2.027 1.00 0.00 C ATOM 1080 CG ARG A 69 -8.731 -19.230 0.924 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.007 -20.739 0.835 1.00 0.00 C ATOM 1082 NE ARG A 69 -8.377 -21.503 1.925 1.00 0.00 N ATOM 1083 CZ ARG A 69 -8.917 -21.838 3.104 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -10.181 -21.534 3.388 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -8.182 -22.478 4.003 1.00 0.00 N ATOM 0 H ARG A 69 -9.939 -16.899 3.905 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.439 -16.714 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.141 -18.780 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.572 -18.818 1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.962 -18.773 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.666 -19.077 1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.084 -20.908 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.643 -21.114 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.419 -21.813 1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.753 -21.039 2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.578 -21.796 4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.211 -22.712 3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.587 -22.736 4.903 1.00 0.00 H new ATOM 1099 N GLY A 70 -11.614 -16.083 1.155 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.591 -15.498 0.249 1.00 0.00 C ATOM 1101 C GLY A 70 -11.980 -14.323 -0.511 1.00 0.00 C ATOM 1102 O GLY A 70 -11.988 -14.311 -1.744 1.00 0.00 O ATOM 0 H GLY A 70 -11.935 -16.134 2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.939 -16.253 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.462 -15.161 0.812 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.402 -13.356 0.209 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.686 -12.245 -0.405 1.00 0.00 C ATOM 1108 C ALA A 71 -9.476 -12.746 -1.188 1.00 0.00 C ATOM 1109 O ALA A 71 -9.233 -12.275 -2.301 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.241 -11.251 0.677 1.00 0.00 C ATOM 0 H ALA A 71 -11.420 -13.326 1.228 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.358 -11.742 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.706 -10.423 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.116 -10.869 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.584 -11.755 1.386 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.739 -13.710 -0.624 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.537 -14.251 -1.240 1.00 0.00 C ATOM 1118 C GLN A 72 -7.820 -14.746 -2.648 1.00 0.00 C ATOM 1119 O GLN A 72 -6.976 -14.544 -3.504 1.00 0.00 O ATOM 1120 CB GLN A 72 -6.936 -15.396 -0.401 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.518 -15.770 -0.859 1.00 0.00 C ATOM 1122 CD GLN A 72 -4.905 -16.864 0.011 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -4.440 -16.599 1.121 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -4.913 -18.102 -0.456 1.00 0.00 N ATOM 0 H GLN A 72 -8.966 -14.134 0.276 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.811 -13.439 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.911 -15.101 0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.581 -16.272 -0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.549 -16.106 -1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.882 -14.885 -0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.303 -18.297 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.529 -18.862 0.106 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.986 -15.334 -2.919 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.241 -15.941 -4.214 1.00 0.00 C ATOM 1135 C GLN A 73 -9.314 -14.908 -5.337 1.00 0.00 C ATOM 1136 O GLN A 73 -8.705 -15.105 -6.389 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.505 -16.803 -4.144 1.00 0.00 C ATOM 1138 CG GLN A 73 -10.575 -17.788 -5.317 1.00 0.00 C ATOM 1139 CD GLN A 73 -9.359 -18.716 -5.375 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -8.922 -19.263 -4.362 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -8.758 -18.883 -6.538 1.00 0.00 N ATOM 0 H GLN A 73 -9.761 -15.400 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.396 -16.585 -4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.521 -17.353 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.386 -16.161 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.482 -18.387 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.648 -17.231 -6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.126 -18.427 -7.373 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.925 -19.469 -6.602 1.00 0.00 H new ATOM 1150 N LYS A 74 -10.016 -13.790 -5.122 1.00 0.00 N ATOM 1151 CA LYS A 74 -10.041 -12.744 -6.155 1.00 0.00 C ATOM 1152 C LYS A 74 -8.653 -12.133 -6.289 1.00 0.00 C ATOM 1153 O LYS A 74 -8.229 -11.828 -7.401 1.00 0.00 O ATOM 1154 CB LYS A 74 -11.133 -11.693 -5.889 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.542 -10.882 -7.139 1.00 0.00 C ATOM 1156 CD LYS A 74 -10.619 -9.706 -7.525 1.00 0.00 C ATOM 1157 CE LYS A 74 -9.976 -9.865 -8.911 1.00 0.00 C ATOM 1158 NZ LYS A 74 -10.912 -9.684 -10.040 1.00 0.00 N ATOM 0 H LYS A 74 -10.554 -13.588 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.307 -13.196 -7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.015 -12.193 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.781 -11.004 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.598 -11.565 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.546 -10.490 -6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.194 -8.780 -7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.832 -9.610 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.165 -9.143 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.530 -10.857 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.401 -9.807 -10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.674 -10.389 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.321 -8.728 -10.002 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.935 -11.963 -5.174 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.556 -11.494 -5.211 1.00 0.00 C ATOM 1174 C LEU A 75 -5.694 -12.477 -6.019 1.00 0.00 C ATOM 1175 O LEU A 75 -4.845 -12.041 -6.787 1.00 0.00 O ATOM 1176 CB LEU A 75 -6.028 -11.300 -3.772 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.238 -9.999 -3.535 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.943 -9.855 -2.037 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -3.931 -9.870 -4.318 1.00 0.00 C ATOM 0 H LEU A 75 -8.291 -12.145 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.505 -10.526 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.874 -11.323 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.389 -12.146 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.879 -9.200 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.384 -8.936 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.881 -9.819 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.354 -10.707 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.455 -8.919 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.263 -10.688 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.142 -9.911 -5.387 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.927 -13.784 -5.876 1.00 0.00 N ATOM 1192 CA ALA A 76 -5.144 -14.863 -6.458 1.00 0.00 C ATOM 1193 C ALA A 76 -5.337 -14.897 -7.955 1.00 0.00 C ATOM 1194 O ALA A 76 -4.352 -14.917 -8.680 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.519 -16.215 -5.835 1.00 0.00 C ATOM 0 H ALA A 76 -6.709 -14.130 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.092 -14.676 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.919 -17.004 -6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.330 -16.186 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.576 -16.416 -6.012 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.576 -14.869 -8.444 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.816 -14.800 -9.880 1.00 0.00 C ATOM 1203 C GLU A 77 -6.112 -13.567 -10.458 1.00 0.00 C ATOM 1204 O GLU A 77 -5.494 -13.642 -11.518 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.331 -14.743 -10.143 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.649 -15.029 -11.616 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.019 -14.494 -12.024 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -11.061 -15.105 -11.692 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -10.090 -13.438 -12.697 1.00 0.00 O ATOM 0 H GLU A 77 -7.420 -14.893 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.413 -15.687 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.840 -15.470 -9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.714 -13.760 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.882 -14.578 -12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.614 -16.104 -11.792 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.149 -12.447 -9.731 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.569 -11.201 -10.185 1.00 0.00 C ATOM 1218 C ALA A 78 -4.043 -11.313 -10.236 1.00 0.00 C ATOM 1219 O ALA A 78 -3.452 -10.902 -11.230 1.00 0.00 O ATOM 1220 CB ALA A 78 -6.061 -10.043 -9.308 1.00 0.00 C ATOM 0 H ALA A 78 -6.585 -12.389 -8.811 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.898 -10.987 -11.202 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.620 -9.109 -9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.147 -9.976 -9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.766 -10.219 -8.274 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.394 -11.875 -9.212 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.945 -12.064 -9.154 1.00 0.00 C ATOM 1228 C LEU A 79 -1.474 -13.074 -10.192 1.00 0.00 C ATOM 1229 O LEU A 79 -0.445 -12.878 -10.838 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.527 -12.542 -7.749 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.571 -11.537 -7.103 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.462 -11.793 -5.608 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.825 -11.595 -7.736 1.00 0.00 C ATOM 0 H LEU A 79 -3.875 -12.219 -8.381 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.478 -11.103 -9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.411 -12.666 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.046 -13.518 -7.819 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.983 -10.542 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.222 -11.070 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.445 -11.692 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.084 -12.801 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.475 -10.867 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.241 -12.594 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.752 -11.365 -8.799 1.00 0.00 H new ATOM 1245 N SER A 80 -2.244 -14.143 -10.359 1.00 0.00 N ATOM 1246 CA SER A 80 -1.987 -15.189 -11.335 1.00 0.00 C ATOM 1247 C SER A 80 -1.992 -14.558 -12.729 1.00 0.00 C ATOM 1248 O SER A 80 -1.022 -14.686 -13.480 1.00 0.00 O ATOM 1249 CB SER A 80 -3.058 -16.270 -11.168 1.00 0.00 C ATOM 1250 OG SER A 80 -3.009 -16.808 -9.857 1.00 0.00 O ATOM 0 H SER A 80 -3.084 -14.308 -9.805 1.00 0.00 H new ATOM 0 HA SER A 80 -1.015 -15.660 -11.191 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.045 -15.848 -11.359 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.903 -17.062 -11.900 1.00 0.00 H new ATOM 0 HG SER A 80 -3.768 -16.471 -9.337 1.00 0.00 H new ATOM 1256 N MET A 81 -3.038 -13.789 -13.050 1.00 0.00 N ATOM 1257 CA MET A 81 -3.185 -13.157 -14.353 1.00 0.00 C ATOM 1258 C MET A 81 -2.175 -12.018 -14.522 1.00 0.00 C ATOM 1259 O MET A 81 -1.692 -11.771 -15.627 1.00 0.00 O ATOM 1260 CB MET A 81 -4.628 -12.659 -14.505 1.00 0.00 C ATOM 1261 CG MET A 81 -4.974 -12.237 -15.936 1.00 0.00 C ATOM 1262 SD MET A 81 -5.047 -13.578 -17.159 1.00 0.00 S ATOM 1263 CE MET A 81 -3.413 -13.450 -17.935 1.00 0.00 C ATOM 0 H MET A 81 -3.805 -13.591 -12.408 1.00 0.00 H new ATOM 0 HA MET A 81 -2.978 -13.884 -15.139 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.312 -13.447 -14.190 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.786 -11.813 -13.836 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.939 -11.730 -15.922 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.236 -11.507 -16.268 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.486 -13.730 -18.986 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.052 -12.424 -17.857 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.717 -14.119 -17.429 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.817 -11.335 -13.430 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.813 -10.281 -13.421 1.00 0.00 C ATOM 1275 C LEU A 82 0.508 -10.862 -13.885 1.00 0.00 C ATOM 1276 O LEU A 82 1.093 -10.331 -14.830 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.683 -9.658 -12.027 1.00 0.00 C ATOM 1278 CG LEU A 82 0.523 -8.713 -11.856 1.00 0.00 C ATOM 1279 CD1 LEU A 82 0.309 -7.392 -12.597 1.00 0.00 C ATOM 1280 CD2 LEU A 82 0.761 -8.445 -10.371 1.00 0.00 C ATOM 0 H LEU A 82 -2.229 -11.507 -12.513 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.116 -9.484 -14.100 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.596 -9.105 -11.804 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.608 -10.459 -11.291 1.00 0.00 H new ATOM 0 HG LEU A 82 1.398 -9.200 -12.286 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.178 -6.750 -12.455 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.173 -7.589 -13.660 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.578 -6.894 -12.204 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.614 -7.777 -10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.125 -7.981 -9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.964 -9.386 -9.859 1.00 0.00 H new ATOM 1292 N LYS A 83 0.997 -11.917 -13.225 1.00 0.00 N ATOM 1293 CA LYS A 83 2.260 -12.511 -13.647 1.00 0.00 C ATOM 1294 C LYS A 83 2.084 -13.123 -15.038 1.00 0.00 C ATOM 1295 O LYS A 83 2.947 -12.943 -15.900 1.00 0.00 O ATOM 1296 CB LYS A 83 2.789 -13.514 -12.602 1.00 0.00 C ATOM 1297 CG LYS A 83 4.330 -13.558 -12.602 1.00 0.00 C ATOM 1298 CD LYS A 83 4.960 -12.326 -11.925 1.00 0.00 C ATOM 1299 CE LYS A 83 6.444 -12.145 -12.280 1.00 0.00 C ATOM 1300 NZ LYS A 83 7.342 -13.030 -11.520 1.00 0.00 N ATOM 0 H LYS A 83 0.552 -12.362 -12.423 1.00 0.00 H new ATOM 0 HA LYS A 83 3.026 -11.739 -13.716 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.431 -13.234 -11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.394 -14.507 -12.815 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.664 -14.460 -12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.687 -13.625 -13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.409 -11.433 -12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.859 -12.420 -10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.580 -12.331 -13.345 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.729 -11.109 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.310 -12.942 -11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.329 -12.759 -10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.022 -14.015 -11.617 1.00 0.00 H new ATOM 1314 N GLY A 84 0.935 -13.759 -15.267 1.00 0.00 N ATOM 1315 CA GLY A 84 0.524 -14.403 -16.503 1.00 0.00 C ATOM 1316 C GLY A 84 0.573 -15.924 -16.398 1.00 0.00 C ATOM 1317 O GLY A 84 0.349 -16.599 -17.398 1.00 0.00 O ATOM 0 H GLY A 84 0.223 -13.840 -14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.489 -14.089 -16.756 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.172 -14.075 -17.316 1.00 0.00 H new ATOM 1321 N SER A 85 0.847 -16.480 -15.219 1.00 0.00 N ATOM 1322 CA SER A 85 1.055 -17.903 -15.011 1.00 0.00 C ATOM 1323 C SER A 85 0.289 -18.356 -13.768 1.00 0.00 C ATOM 1324 O SER A 85 -0.610 -17.668 -13.281 1.00 0.00 O ATOM 1325 CB SER A 85 2.567 -18.136 -14.893 1.00 0.00 C ATOM 1326 OG SER A 85 2.928 -19.472 -15.173 1.00 0.00 O ATOM 0 H SER A 85 0.932 -15.934 -14.362 1.00 0.00 H new ATOM 0 HA SER A 85 0.675 -18.495 -15.843 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.089 -17.470 -15.579 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.895 -17.877 -13.886 1.00 0.00 H new ATOM 0 HG SER A 85 3.899 -19.573 -15.087 1.00 0.00 H new ATOM 1332 N THR A 86 0.591 -19.557 -13.292 1.00 0.00 N ATOM 1333 CA THR A 86 0.056 -20.090 -12.055 1.00 0.00 C ATOM 1334 C THR A 86 1.027 -19.677 -10.939 1.00 0.00 C ATOM 1335 O THR A 86 2.250 -19.789 -11.095 1.00 0.00 O ATOM 1336 CB THR A 86 -0.138 -21.599 -12.236 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.921 -21.834 -13.404 1.00 0.00 O ATOM 1338 CG2 THR A 86 -0.868 -22.252 -11.070 1.00 0.00 C ATOM 0 H THR A 86 1.227 -20.197 -13.767 1.00 0.00 H new ATOM 0 HA THR A 86 -0.924 -19.700 -11.780 1.00 0.00 H new ATOM 0 HB THR A 86 0.860 -22.032 -12.307 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.046 -22.798 -13.525 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.974 -23.320 -11.259 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.298 -22.100 -10.153 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.855 -21.803 -10.962 1.00 0.00 H new ATOM 1346 N VAL A 87 0.480 -19.137 -9.853 1.00 0.00 N ATOM 1347 CA VAL A 87 1.181 -18.549 -8.718 1.00 0.00 C ATOM 1348 C VAL A 87 0.549 -19.116 -7.439 1.00 0.00 C ATOM 1349 O VAL A 87 -0.633 -19.469 -7.436 1.00 0.00 O ATOM 1350 CB VAL A 87 0.988 -17.010 -8.825 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.604 -16.247 -7.645 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.519 -16.401 -10.138 1.00 0.00 C ATOM 0 H VAL A 87 -0.532 -19.097 -9.736 1.00 0.00 H new ATOM 0 HA VAL A 87 2.247 -18.777 -8.703 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.095 -16.889 -8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.437 -15.178 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.138 -16.576 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.675 -16.445 -7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.347 -15.325 -10.136 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.588 -16.598 -10.224 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.998 -16.850 -10.984 1.00 0.00 H new ATOM 1362 N GLU A 88 1.308 -19.192 -6.342 1.00 0.00 N ATOM 1363 CA GLU A 88 0.784 -19.580 -5.038 1.00 0.00 C ATOM 1364 C GLU A 88 0.647 -18.281 -4.246 1.00 0.00 C ATOM 1365 O GLU A 88 1.575 -17.886 -3.536 1.00 0.00 O ATOM 1366 CB GLU A 88 1.724 -20.554 -4.306 1.00 0.00 C ATOM 1367 CG GLU A 88 1.514 -22.034 -4.626 1.00 0.00 C ATOM 1368 CD GLU A 88 1.937 -22.876 -3.425 1.00 0.00 C ATOM 1369 OE1 GLU A 88 3.154 -23.137 -3.254 1.00 0.00 O ATOM 1370 OE2 GLU A 88 1.053 -23.222 -2.609 1.00 0.00 O ATOM 0 H GLU A 88 2.307 -18.984 -6.338 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.167 -20.102 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.753 -20.290 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.603 -20.411 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.467 -22.221 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.096 -22.314 -5.504 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.474 -17.574 -4.390 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.722 -16.400 -3.569 1.00 0.00 C ATOM 1379 C LEU A 89 -1.112 -16.882 -2.181 1.00 0.00 C ATOM 1380 O LEU A 89 -2.069 -17.641 -2.028 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.791 -15.478 -4.161 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.353 -14.447 -3.159 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.387 -13.477 -2.479 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.329 -13.546 -3.885 1.00 0.00 C ATOM 0 H LEU A 89 -1.212 -17.793 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 89 0.185 -15.796 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.367 -14.948 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.612 -16.086 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.755 -15.090 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.942 -12.822 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.648 -14.040 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.881 -12.877 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.734 -12.812 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.814 -13.031 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.142 -14.145 -4.294 1.00 0.00 H new ATOM 1396 N THR A 90 -0.388 -16.429 -1.173 1.00 0.00 N ATOM 1397 CA THR A 90 -0.687 -16.668 0.223 1.00 0.00 C ATOM 1398 C THR A 90 -0.799 -15.290 0.860 1.00 0.00 C ATOM 1399 O THR A 90 -0.199 -14.324 0.392 1.00 0.00 O ATOM 1400 CB THR A 90 0.455 -17.473 0.860 1.00 0.00 C ATOM 1401 OG1 THR A 90 0.829 -18.553 0.019 1.00 0.00 O ATOM 1402 CG2 THR A 90 0.113 -18.040 2.241 1.00 0.00 C ATOM 0 H THR A 90 0.451 -15.866 -1.311 1.00 0.00 H new ATOM 0 HA THR A 90 -1.605 -17.240 0.360 1.00 0.00 H new ATOM 0 HB THR A 90 1.275 -16.765 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.559 -19.056 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.967 -18.596 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.126 -17.222 2.921 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.746 -18.706 2.158 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.539 -15.188 1.947 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.634 -13.981 2.746 1.00 0.00 C ATOM 1412 C ILE A 91 -1.209 -14.474 4.117 1.00 0.00 C ATOM 1413 O ILE A 91 -1.846 -15.385 4.651 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.042 -13.358 2.728 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -3.560 -13.051 1.307 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.036 -12.054 3.553 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -5.075 -12.838 1.304 1.00 0.00 C ATOM 0 H ILE A 91 -2.103 -15.958 2.307 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.016 -13.163 2.376 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.716 -14.097 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.064 -12.160 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.304 -13.873 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.032 -11.611 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.749 -12.275 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.322 -11.353 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.410 -12.624 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.570 -13.739 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.326 -12.000 1.954 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.106 -13.959 4.641 1.00 0.00 N ATOM 1430 CA VAL A 92 0.373 -14.305 5.966 1.00 0.00 C ATOM 1431 C VAL A 92 0.025 -13.137 6.881 1.00 0.00 C ATOM 1432 O VAL A 92 0.014 -11.987 6.439 1.00 0.00 O ATOM 1433 CB VAL A 92 1.868 -14.683 5.944 1.00 0.00 C ATOM 1434 CG1 VAL A 92 2.133 -15.821 4.944 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.823 -13.534 5.593 1.00 0.00 C ATOM 0 H VAL A 92 0.484 -13.285 4.153 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.112 -15.202 6.352 1.00 0.00 H new ATOM 0 HB VAL A 92 2.076 -14.984 6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.194 -16.069 4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.554 -16.699 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.838 -15.503 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.850 -13.899 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.583 -13.152 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.715 -12.734 6.325 1.00 0.00 H new ATOM 1445 N GLU A 93 -0.303 -13.417 8.137 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.618 -12.382 9.109 1.00 0.00 C ATOM 1447 C GLU A 93 0.677 -12.036 9.838 1.00 0.00 C ATOM 1448 O GLU A 93 1.327 -12.941 10.363 1.00 0.00 O ATOM 1449 CB GLU A 93 -1.675 -12.902 10.093 1.00 0.00 C ATOM 1450 CG GLU A 93 -2.205 -11.742 10.939 1.00 0.00 C ATOM 1451 CD GLU A 93 -2.916 -12.219 12.202 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -4.038 -12.763 12.141 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -2.370 -12.021 13.311 1.00 0.00 O ATOM 0 H GLU A 93 -0.357 -14.366 8.508 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.024 -11.494 8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.494 -13.371 9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.241 -13.667 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.377 -11.090 11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.894 -11.145 10.341 1.00 0.00 H new ATOM 1460 N ASP A 94 1.088 -10.768 9.858 1.00 0.00 N ATOM 1461 CA ASP A 94 2.248 -10.362 10.643 1.00 0.00 C ATOM 1462 C ASP A 94 2.010 -8.999 11.285 1.00 0.00 C ATOM 1463 O ASP A 94 1.402 -8.124 10.671 1.00 0.00 O ATOM 1464 CB ASP A 94 3.490 -10.375 9.757 1.00 0.00 C ATOM 1465 CG ASP A 94 4.725 -10.628 10.606 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.358 -9.654 11.069 1.00 0.00 O ATOM 1467 OD2 ASP A 94 5.126 -11.809 10.733 1.00 0.00 O ATOM 0 H ASP A 94 0.637 -10.011 9.343 1.00 0.00 H new ATOM 0 HA ASP A 94 2.408 -11.069 11.457 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.396 -11.149 8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.585 -9.423 9.235 1.00 0.00 H new ATOM 1472 N ASP A 95 2.444 -8.798 12.527 1.00 0.00 N ATOM 1473 CA ASP A 95 2.193 -7.569 13.292 1.00 0.00 C ATOM 1474 C ASP A 95 3.439 -6.700 13.464 1.00 0.00 C ATOM 1475 O ASP A 95 3.323 -5.542 13.870 1.00 0.00 O ATOM 1476 CB ASP A 95 1.601 -7.905 14.671 1.00 0.00 C ATOM 1477 CG ASP A 95 2.686 -8.107 15.724 1.00 0.00 C ATOM 1478 OD1 ASP A 95 3.438 -9.105 15.634 1.00 0.00 O ATOM 1479 OD2 ASP A 95 2.802 -7.272 16.642 1.00 0.00 O ATOM 0 H ASP A 95 2.988 -9.491 13.042 1.00 0.00 H new ATOM 0 HA ASP A 95 1.477 -6.989 12.710 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.935 -7.101 14.986 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.996 -8.809 14.596 1.00 0.00 H new ATOM 1522 N VAL A 99 7.989 -4.102 6.788 1.00 0.00 N ATOM 1523 CA VAL A 99 8.027 -3.450 5.487 1.00 0.00 C ATOM 1524 C VAL A 99 6.776 -2.586 5.339 1.00 0.00 C ATOM 1525 O VAL A 99 5.746 -2.825 5.981 1.00 0.00 O ATOM 1526 CB VAL A 99 8.123 -4.516 4.371 1.00 0.00 C ATOM 1527 CG1 VAL A 99 8.177 -3.959 2.940 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.306 -5.473 4.556 1.00 0.00 C ATOM 0 HA VAL A 99 8.905 -2.809 5.403 1.00 0.00 H new ATOM 0 HB VAL A 99 7.183 -5.056 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.243 -4.784 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.275 -3.381 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.051 -3.317 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.319 -6.197 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.237 -4.906 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.205 -5.997 5.506 1.00 0.00 H new ATOM 1538 N ARG A 100 6.872 -1.574 4.481 1.00 0.00 N ATOM 1539 CA ARG A 100 5.776 -0.685 4.154 1.00 0.00 C ATOM 1540 C ARG A 100 4.792 -1.352 3.204 1.00 0.00 C ATOM 1541 O ARG A 100 5.193 -1.862 2.157 1.00 0.00 O ATOM 1542 CB ARG A 100 6.294 0.564 3.424 1.00 0.00 C ATOM 1543 CG ARG A 100 7.090 1.560 4.270 1.00 0.00 C ATOM 1544 CD ARG A 100 8.620 1.426 4.167 1.00 0.00 C ATOM 1545 NE ARG A 100 9.236 0.401 5.024 1.00 0.00 N ATOM 1546 CZ ARG A 100 9.359 0.455 6.356 1.00 0.00 C ATOM 1547 NH1 ARG A 100 8.725 1.378 7.067 1.00 0.00 N ATOM 1548 NH2 ARG A 100 10.125 -0.431 6.975 1.00 0.00 N ATOM 0 H ARG A 100 7.735 -1.350 3.986 1.00 0.00 H new ATOM 0 HA ARG A 100 5.294 -0.427 5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.923 0.240 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.441 1.087 2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.808 2.571 3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.800 1.440 5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.877 1.207 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.067 2.390 4.409 1.00 0.00 H new ATOM 0 HE ARG A 100 9.604 -0.429 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.131 2.063 6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.831 1.403 8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.615 -1.146 6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.225 -0.398 7.990 1.00 0.00 H new ATOM 1562 N THR A 101 3.517 -1.390 3.575 1.00 0.00 N ATOM 1563 CA THR A 101 2.470 -1.858 2.675 1.00 0.00 C ATOM 1564 C THR A 101 2.297 -0.675 1.688 1.00 0.00 C ATOM 1565 O THR A 101 2.817 0.418 1.955 1.00 0.00 O ATOM 1566 CB THR A 101 1.195 -2.174 3.484 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.597 -0.969 3.904 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.470 -3.058 4.711 1.00 0.00 C ATOM 0 H THR A 101 3.183 -1.102 4.495 1.00 0.00 H new ATOM 0 HA THR A 101 2.701 -2.782 2.144 1.00 0.00 H new ATOM 0 HB THR A 101 0.527 -2.731 2.827 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.214 -1.168 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.536 -3.246 5.240 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.901 -4.005 4.388 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.168 -2.550 5.376 1.00 0.00 H new ATOM 1576 N PRO A 102 1.546 -0.767 0.581 1.00 0.00 N ATOM 1577 CA PRO A 102 1.340 0.400 -0.270 1.00 0.00 C ATOM 1578 C PRO A 102 0.526 1.488 0.461 1.00 0.00 C ATOM 1579 O PRO A 102 0.583 2.655 0.063 1.00 0.00 O ATOM 1580 CB PRO A 102 0.686 -0.140 -1.543 1.00 0.00 C ATOM 1581 CG PRO A 102 -0.079 -1.349 -1.034 1.00 0.00 C ATOM 1582 CD PRO A 102 0.816 -1.908 0.072 1.00 0.00 C ATOM 0 HA PRO A 102 2.268 0.911 -0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.024 0.595 -2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.427 -0.415 -2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.060 -1.069 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.242 -2.081 -1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.225 -2.379 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.494 -2.668 -0.316 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.199 1.142 1.536 1.00 0.00 N ATOM 1591 CA LEU A 103 -0.905 2.091 2.390 1.00 0.00 C ATOM 1592 C LEU A 103 0.069 2.746 3.374 1.00 0.00 C ATOM 1593 O LEU A 103 0.057 3.970 3.498 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.070 1.369 3.085 1.00 0.00 C ATOM 1595 CG LEU A 103 -2.970 2.295 3.929 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.426 1.815 3.846 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.548 2.309 5.403 1.00 0.00 C ATOM 0 H LEU A 103 -0.309 0.173 1.836 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.328 2.900 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.681 0.876 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.667 0.587 3.728 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.870 3.303 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.060 2.471 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.758 1.836 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.496 0.797 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.206 2.973 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.617 1.300 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.521 2.664 5.484 1.00 0.00 H new ATOM 1609 N GLU A 104 0.950 1.980 4.034 1.00 0.00 N ATOM 1610 CA GLU A 104 1.986 2.559 4.897 1.00 0.00 C ATOM 1611 C GLU A 104 2.888 3.483 4.069 1.00 0.00 C ATOM 1612 O GLU A 104 3.259 4.559 4.527 1.00 0.00 O ATOM 1613 CB GLU A 104 2.873 1.490 5.559 1.00 0.00 C ATOM 1614 CG GLU A 104 2.215 0.452 6.480 1.00 0.00 C ATOM 1615 CD GLU A 104 1.362 1.042 7.593 1.00 0.00 C ATOM 1616 OE1 GLU A 104 1.925 1.741 8.468 1.00 0.00 O ATOM 1617 OE2 GLU A 104 0.144 0.754 7.651 1.00 0.00 O ATOM 0 H GLU A 104 0.965 0.961 3.986 1.00 0.00 H new ATOM 0 HA GLU A 104 1.469 3.108 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.386 0.948 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.638 2.008 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.594 -0.209 5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.995 -0.165 6.926 1.00 0.00 H new ATOM 1624 N TRP A 105 3.218 3.095 2.835 1.00 0.00 N ATOM 1625 CA TRP A 105 3.969 3.924 1.906 1.00 0.00 C ATOM 1626 C TRP A 105 3.246 5.236 1.617 1.00 0.00 C ATOM 1627 O TRP A 105 3.896 6.277 1.573 1.00 0.00 O ATOM 1628 CB TRP A 105 4.181 3.180 0.590 1.00 0.00 C ATOM 1629 CG TRP A 105 5.445 2.398 0.437 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.517 1.089 0.113 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.809 2.910 0.337 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.813 0.778 -0.231 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.637 1.876 -0.180 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.402 4.179 0.496 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 8.956 2.104 -0.587 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.726 4.427 0.084 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.500 3.393 -0.473 1.00 0.00 C ATOM 0 H TRP A 105 2.965 2.183 2.454 1.00 0.00 H new ATOM 0 HA TRP A 105 4.929 4.147 2.371 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.343 2.496 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.136 3.908 -0.220 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.689 0.396 0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.125 -0.157 -0.493 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.829 4.978 0.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.551 1.295 -0.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.148 5.415 0.196 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.507 3.590 -0.811 1.00 0.00 H new ATOM 1648 N ARG A 106 1.922 5.219 1.419 1.00 0.00 N ATOM 1649 CA ARG A 106 1.165 6.451 1.192 1.00 0.00 C ATOM 1650 C ARG A 106 1.340 7.387 2.382 1.00 0.00 C ATOM 1651 O ARG A 106 1.465 8.591 2.181 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.319 6.136 0.961 1.00 0.00 C ATOM 1653 CG ARG A 106 -1.147 7.341 0.459 1.00 0.00 C ATOM 1654 CD ARG A 106 -1.592 7.243 -1.013 1.00 0.00 C ATOM 1655 NE ARG A 106 -2.975 7.728 -1.210 1.00 0.00 N ATOM 1656 CZ ARG A 106 -4.063 7.096 -0.744 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -3.937 5.926 -0.127 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -5.278 7.610 -0.876 1.00 0.00 N ATOM 0 H ARG A 106 1.358 4.369 1.412 1.00 0.00 H new ATOM 0 HA ARG A 106 1.547 6.944 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.399 5.326 0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.752 5.774 1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.032 7.444 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.558 8.249 0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.912 7.824 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.521 6.207 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.110 8.594 -1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.014 5.509 -0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.764 5.445 0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.404 8.509 -1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.087 7.107 -0.512 1.00 0.00 H new ATOM 1672 N GLN A 107 1.342 6.869 3.610 1.00 0.00 N ATOM 1673 CA GLN A 107 1.617 7.687 4.786 1.00 0.00 C ATOM 1674 C GLN A 107 3.055 8.202 4.746 1.00 0.00 C ATOM 1675 O GLN A 107 3.268 9.404 4.870 1.00 0.00 O ATOM 1676 CB GLN A 107 1.332 6.889 6.070 1.00 0.00 C ATOM 1677 CG GLN A 107 1.456 7.710 7.370 1.00 0.00 C ATOM 1678 CD GLN A 107 2.894 8.022 7.798 1.00 0.00 C ATOM 1679 OE1 GLN A 107 3.761 7.152 7.824 1.00 0.00 O ATOM 1680 NE2 GLN A 107 3.180 9.263 8.144 1.00 0.00 N ATOM 0 H GLN A 107 1.156 5.887 3.814 1.00 0.00 H new ATOM 0 HA GLN A 107 0.955 8.553 4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.325 6.475 6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 107 2.021 6.046 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.918 8.649 7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.962 7.166 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.454 9.979 8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.127 9.506 8.436 1.00 0.00 H new ATOM 1689 N ALA A 108 4.031 7.318 4.548 1.00 0.00 N ATOM 1690 CA ALA A 108 5.440 7.661 4.627 1.00 0.00 C ATOM 1691 C ALA A 108 5.844 8.683 3.574 1.00 0.00 C ATOM 1692 O ALA A 108 6.622 9.582 3.875 1.00 0.00 O ATOM 1693 CB ALA A 108 6.277 6.392 4.496 1.00 0.00 C ATOM 0 H ALA A 108 3.859 6.337 4.327 1.00 0.00 H new ATOM 0 HA ALA A 108 5.622 8.123 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.335 6.646 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.024 5.704 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.071 5.918 3.537 1.00 0.00 H new ATOM 1699 N ILE A 109 5.332 8.558 2.351 1.00 0.00 N ATOM 1700 CA ILE A 109 5.634 9.484 1.260 1.00 0.00 C ATOM 1701 C ILE A 109 4.843 10.781 1.450 1.00 0.00 C ATOM 1702 O ILE A 109 5.359 11.853 1.141 1.00 0.00 O ATOM 1703 CB ILE A 109 5.447 8.790 -0.111 1.00 0.00 C ATOM 1704 CG1 ILE A 109 6.611 7.792 -0.292 1.00 0.00 C ATOM 1705 CG2 ILE A 109 5.439 9.777 -1.291 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.437 6.859 -1.491 1.00 0.00 C ATOM 0 H ILE A 109 4.693 7.808 2.087 1.00 0.00 H new ATOM 0 HA ILE A 109 6.684 9.776 1.279 1.00 0.00 H new ATOM 0 HB ILE A 109 4.476 8.295 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.541 8.349 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.709 7.192 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.304 9.228 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.621 10.487 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.386 10.316 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.292 6.186 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.525 6.275 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.370 7.449 -2.405 1.00 0.00 H new ATOM 1718 N TYR A 110 3.622 10.723 1.992 1.00 0.00 N ATOM 1719 CA TYR A 110 2.883 11.936 2.322 1.00 0.00 C ATOM 1720 C TYR A 110 3.681 12.743 3.338 1.00 0.00 C ATOM 1721 O TYR A 110 3.823 13.961 3.205 1.00 0.00 O ATOM 1722 CB TYR A 110 1.500 11.576 2.866 1.00 0.00 C ATOM 1723 CG TYR A 110 0.704 12.773 3.323 1.00 0.00 C ATOM 1724 CD1 TYR A 110 0.073 13.575 2.359 1.00 0.00 C ATOM 1725 CD2 TYR A 110 0.631 13.111 4.688 1.00 0.00 C ATOM 1726 CE1 TYR A 110 -0.665 14.703 2.744 1.00 0.00 C ATOM 1727 CE2 TYR A 110 -0.115 14.233 5.086 1.00 0.00 C ATOM 1728 CZ TYR A 110 -0.760 15.033 4.114 1.00 0.00 C ATOM 1729 OH TYR A 110 -1.497 16.109 4.500 1.00 0.00 O ATOM 0 H TYR A 110 3.132 9.855 2.208 1.00 0.00 H new ATOM 0 HA TYR A 110 2.741 12.541 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.940 11.050 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.615 10.885 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.157 13.321 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.145 12.511 5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.156 15.313 2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.196 14.484 6.133 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.460 16.198 5.475 1.00 0.00 H new