USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 631 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 28 SER OG : rot -56:sc= 1.1 USER MOD Set 1.2: A 29 THR OG1 : rot 87:sc= 0.905 USER MOD Single : A 18 THR OG1 : rot -19:sc= 0.906 USER MOD Single : A 27 THR OG1 : rot 92:sc= 0.785 USER MOD Single : A 31 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 35 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.47) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00617) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 1.11 K(o=1.1,f=-0.6) USER MOD Single : A 65 ASN : amide:sc= -5.15! C(o=-5.1!,f=-7.7!) USER MOD Single : A 68 THR OG1 : rot 80:sc= -0.783 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -16! C(o=-16!,f=-15!) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 1.859 12.436 1.588 1.00 0.00 N ATOM 201 CA ARG A 14 1.031 11.324 1.151 1.00 0.00 C ATOM 202 C ARG A 14 1.614 10.000 1.649 1.00 0.00 C ATOM 203 O ARG A 14 0.871 9.081 1.990 1.00 0.00 O ATOM 204 CB ARG A 14 0.924 11.285 -0.375 1.00 0.00 C ATOM 205 CG ARG A 14 -0.531 11.117 -0.818 1.00 0.00 C ATOM 206 CD ARG A 14 -0.856 12.041 -1.994 1.00 0.00 C ATOM 207 NE ARG A 14 -1.778 13.112 -1.556 1.00 0.00 N ATOM 208 CZ ARG A 14 -2.475 13.902 -2.400 1.00 0.00 C ATOM 209 NH1 ARG A 14 -2.360 13.747 -3.736 1.00 0.00 N ATOM 210 NH2 ARG A 14 -3.271 14.829 -1.899 1.00 0.00 N ATOM 0 HA ARG A 14 0.035 11.466 1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.332 12.204 -0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.524 10.462 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.710 10.081 -1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.197 11.337 0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.061 12.478 -2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.309 11.468 -2.803 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.894 13.263 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.743 13.029 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.890 14.348 -4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.352 14.940 -0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.805 15.434 -2.523 1.00 0.00 H new ATOM 223 N ALA A 15 2.937 9.945 1.675 1.00 0.00 N ATOM 224 CA ALA A 15 3.628 8.749 2.126 1.00 0.00 C ATOM 225 C ALA A 15 3.109 8.357 3.511 1.00 0.00 C ATOM 226 O ALA A 15 2.649 7.234 3.711 1.00 0.00 O ATOM 227 CB ALA A 15 5.137 8.997 2.117 1.00 0.00 C ATOM 0 H ALA A 15 3.549 10.710 1.391 1.00 0.00 H new ATOM 0 HA ALA A 15 3.431 7.915 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.655 8.100 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.459 9.242 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.373 9.826 2.784 1.00 0.00 H new ATOM 233 N GLU A 16 3.202 9.306 4.432 1.00 0.00 N ATOM 234 CA GLU A 16 2.748 9.074 5.793 1.00 0.00 C ATOM 235 C GLU A 16 1.287 8.619 5.795 1.00 0.00 C ATOM 236 O GLU A 16 0.894 7.786 6.610 1.00 0.00 O ATOM 237 CB GLU A 16 2.933 10.325 6.653 1.00 0.00 C ATOM 238 CG GLU A 16 4.301 10.322 7.339 1.00 0.00 C ATOM 239 CD GLU A 16 4.356 9.268 8.447 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.854 8.155 8.221 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.859 9.640 9.578 1.00 0.00 O ATOM 0 H GLU A 16 3.585 10.236 4.262 1.00 0.00 H new ATOM 0 HA GLU A 16 3.356 8.281 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.836 11.215 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.145 10.373 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.080 10.123 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.504 11.307 7.759 1.00 0.00 H new ATOM 249 N ARG A 17 0.522 9.186 4.874 1.00 0.00 N ATOM 250 CA ARG A 17 -0.886 8.849 4.759 1.00 0.00 C ATOM 251 C ARG A 17 -1.049 7.408 4.271 1.00 0.00 C ATOM 252 O ARG A 17 -1.816 6.637 4.847 1.00 0.00 O ATOM 253 CB ARG A 17 -1.601 9.792 3.789 1.00 0.00 C ATOM 254 CG ARG A 17 -3.091 9.896 4.123 1.00 0.00 C ATOM 255 CD ARG A 17 -3.929 10.046 2.852 1.00 0.00 C ATOM 256 NE ARG A 17 -3.935 11.460 2.413 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.763 12.403 2.912 1.00 0.00 C ATOM 258 NH1 ARG A 17 -5.660 12.090 3.871 1.00 0.00 N ATOM 259 NH2 ARG A 17 -4.683 13.635 2.446 1.00 0.00 N ATOM 0 H ARG A 17 0.851 9.877 4.200 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.334 8.955 5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.145 10.781 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.478 9.431 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.408 9.007 4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.262 10.750 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.523 9.413 2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.949 9.710 3.037 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.273 11.739 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.716 11.135 4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.281 12.809 4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.003 13.863 1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.301 14.360 2.812 1.00 0.00 H new ATOM 272 N THR A 18 -0.316 7.088 3.215 1.00 0.00 N ATOM 273 CA THR A 18 -0.370 5.754 2.643 1.00 0.00 C ATOM 274 C THR A 18 0.231 4.734 3.612 1.00 0.00 C ATOM 275 O THR A 18 -0.383 3.707 3.898 1.00 0.00 O ATOM 276 CB THR A 18 0.336 5.791 1.286 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.449 6.693 0.511 1.00 0.00 O ATOM 278 CG2 THR A 18 0.230 4.464 0.534 1.00 0.00 C ATOM 0 H THR A 18 0.319 7.730 2.740 1.00 0.00 H new ATOM 0 HA THR A 18 -1.400 5.435 2.481 1.00 0.00 H new ATOM 0 HB THR A 18 1.387 6.043 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.335 6.789 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.748 4.545 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.686 3.672 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.820 4.228 0.359 1.00 0.00 H new ATOM 286 N ALA A 19 1.424 5.052 4.092 1.00 0.00 N ATOM 287 CA ALA A 19 2.114 4.177 5.023 1.00 0.00 C ATOM 288 C ALA A 19 1.292 4.054 6.307 1.00 0.00 C ATOM 289 O ALA A 19 1.529 3.160 7.118 1.00 0.00 O ATOM 290 CB ALA A 19 3.523 4.716 5.283 1.00 0.00 C ATOM 0 H ALA A 19 1.931 5.905 3.853 1.00 0.00 H new ATOM 0 HA ALA A 19 2.219 3.177 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.041 4.059 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.076 4.756 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.457 5.718 5.708 1.00 0.00 H new ATOM 296 N GLU A 20 0.341 4.966 6.452 1.00 0.00 N ATOM 297 CA GLU A 20 -0.518 4.971 7.624 1.00 0.00 C ATOM 298 C GLU A 20 -1.750 4.096 7.383 1.00 0.00 C ATOM 299 O GLU A 20 -2.025 3.179 8.155 1.00 0.00 O ATOM 300 CB GLU A 20 -0.924 6.398 8.000 1.00 0.00 C ATOM 301 CG GLU A 20 -2.048 6.393 9.038 1.00 0.00 C ATOM 302 CD GLU A 20 -1.939 7.601 9.970 1.00 0.00 C ATOM 303 OE1 GLU A 20 -2.418 8.693 9.628 1.00 0.00 O ATOM 304 OE2 GLU A 20 -1.332 7.377 11.086 1.00 0.00 O ATOM 0 H GLU A 20 0.147 5.706 5.777 1.00 0.00 H new ATOM 0 HA GLU A 20 0.041 4.554 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.061 6.933 8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.250 6.934 7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.014 6.405 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.005 5.474 9.622 1.00 0.00 H new ATOM 312 N LEU A 21 -2.458 4.410 6.308 1.00 0.00 N ATOM 313 CA LEU A 21 -3.654 3.664 5.956 1.00 0.00 C ATOM 314 C LEU A 21 -3.278 2.207 5.682 1.00 0.00 C ATOM 315 O LEU A 21 -4.013 1.292 6.053 1.00 0.00 O ATOM 316 CB LEU A 21 -4.384 4.340 4.793 1.00 0.00 C ATOM 317 CG LEU A 21 -5.782 4.879 5.102 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.783 6.408 5.145 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.811 4.333 4.110 1.00 0.00 C ATOM 0 H LEU A 21 -2.226 5.171 5.669 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.360 3.661 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.769 5.165 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.465 3.624 3.975 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.072 4.529 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.789 6.765 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.097 6.751 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.463 6.799 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.796 4.731 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.536 4.633 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.834 3.245 4.172 1.00 0.00 H new ATOM 331 N VAL A 22 -2.134 2.035 5.035 1.00 0.00 N ATOM 332 CA VAL A 22 -1.652 0.704 4.708 1.00 0.00 C ATOM 333 C VAL A 22 -1.615 -0.147 5.978 1.00 0.00 C ATOM 334 O VAL A 22 -2.457 -1.024 6.167 1.00 0.00 O ATOM 335 CB VAL A 22 -0.293 0.797 4.010 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.534 -0.467 4.251 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.463 1.064 2.513 1.00 0.00 C ATOM 0 H VAL A 22 -1.527 2.796 4.729 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.329 0.214 4.009 1.00 0.00 H new ATOM 0 HB VAL A 22 0.249 1.639 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.495 -0.375 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.699 -0.596 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.001 -1.332 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.517 1.126 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.033 0.252 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.995 2.005 2.369 1.00 0.00 H new ATOM 347 N ARG A 23 -0.630 0.141 6.817 1.00 0.00 N ATOM 348 CA ARG A 23 -0.473 -0.588 8.064 1.00 0.00 C ATOM 349 C ARG A 23 -1.834 -0.808 8.726 1.00 0.00 C ATOM 350 O ARG A 23 -2.053 -1.826 9.380 1.00 0.00 O ATOM 351 CB ARG A 23 0.441 0.168 9.031 1.00 0.00 C ATOM 352 CG ARG A 23 1.054 -0.783 10.062 1.00 0.00 C ATOM 353 CD ARG A 23 2.198 -0.106 10.819 1.00 0.00 C ATOM 354 NE ARG A 23 1.935 -0.147 12.275 1.00 0.00 N ATOM 355 CZ ARG A 23 2.844 0.181 13.218 1.00 0.00 C ATOM 356 NH1 ARG A 23 4.085 0.578 12.864 1.00 0.00 N ATOM 357 NH2 ARG A 23 2.501 0.108 14.490 1.00 0.00 N ATOM 0 H ARG A 23 0.067 0.869 6.657 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.020 -1.551 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.234 0.666 8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.127 0.946 9.541 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.287 -1.105 10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.423 -1.678 9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.140 -0.608 10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.302 0.928 10.489 1.00 0.00 H new ATOM 0 HE ARG A 23 1.009 -0.441 12.585 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.341 0.632 11.878 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.766 0.824 13.582 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.561 -0.193 14.748 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.176 0.352 15.215 1.00 0.00 H new ATOM 370 N LEU A 24 -2.714 0.164 8.534 1.00 0.00 N ATOM 371 CA LEU A 24 -4.048 0.089 9.104 1.00 0.00 C ATOM 372 C LEU A 24 -4.852 -0.988 8.372 1.00 0.00 C ATOM 373 O LEU A 24 -5.391 -1.898 8.999 1.00 0.00 O ATOM 374 CB LEU A 24 -4.714 1.467 9.093 1.00 0.00 C ATOM 375 CG LEU A 24 -6.165 1.507 8.611 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.106 0.902 9.655 1.00 0.00 C ATOM 377 CD2 LEU A 24 -6.576 2.929 8.225 1.00 0.00 C ATOM 0 H LEU A 24 -2.529 1.008 7.992 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.998 -0.207 10.152 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.676 1.875 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.123 2.129 8.460 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.243 0.895 7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.131 0.943 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.827 -0.136 9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.031 1.467 10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.612 2.929 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.478 3.584 9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.932 3.289 7.423 1.00 0.00 H new ATOM 389 N VAL A 25 -4.906 -0.848 7.056 1.00 0.00 N ATOM 390 CA VAL A 25 -5.634 -1.798 6.232 1.00 0.00 C ATOM 391 C VAL A 25 -5.248 -3.221 6.640 1.00 0.00 C ATOM 392 O VAL A 25 -6.115 -4.074 6.823 1.00 0.00 O ATOM 393 CB VAL A 25 -5.378 -1.510 4.751 1.00 0.00 C ATOM 394 CG1 VAL A 25 -6.042 -2.566 3.865 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.851 -0.104 4.376 1.00 0.00 C ATOM 0 H VAL A 25 -4.458 -0.091 6.540 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.708 -1.695 6.388 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.302 -1.558 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.845 -2.338 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.637 -3.549 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.118 -2.564 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.657 0.075 3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.920 -0.016 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.313 0.632 4.973 1.00 0.00 H new ATOM 405 N ARG A 26 -3.947 -3.433 6.769 1.00 0.00 N ATOM 406 CA ARG A 26 -3.436 -4.738 7.151 1.00 0.00 C ATOM 407 C ARG A 26 -4.101 -5.210 8.446 1.00 0.00 C ATOM 408 O ARG A 26 -4.779 -6.237 8.461 1.00 0.00 O ATOM 409 CB ARG A 26 -1.919 -4.699 7.350 1.00 0.00 C ATOM 410 CG ARG A 26 -1.187 -5.082 6.062 1.00 0.00 C ATOM 411 CD ARG A 26 0.041 -4.196 5.845 1.00 0.00 C ATOM 412 NE ARG A 26 1.187 -4.721 6.619 1.00 0.00 N ATOM 413 CZ ARG A 26 2.327 -4.034 6.844 1.00 0.00 C ATOM 414 NH1 ARG A 26 2.483 -2.786 6.355 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.288 -4.602 7.550 1.00 0.00 N ATOM 0 H ARG A 26 -3.231 -2.723 6.616 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.668 -5.434 6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.615 -3.700 7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.636 -5.383 8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.882 -6.127 6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.864 -4.986 5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.292 -4.162 4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.179 -3.174 6.153 1.00 0.00 H new ATOM 0 HE ARG A 26 1.111 -5.661 7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.736 -2.355 5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.348 -2.274 6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.162 -5.546 7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.156 -4.097 7.729 1.00 0.00 H new ATOM 428 N THR A 27 -3.883 -4.439 9.500 1.00 0.00 N ATOM 429 CA THR A 27 -4.453 -4.765 10.797 1.00 0.00 C ATOM 430 C THR A 27 -5.981 -4.793 10.716 1.00 0.00 C ATOM 431 O THR A 27 -6.638 -5.432 11.536 1.00 0.00 O ATOM 432 CB THR A 27 -3.917 -3.758 11.816 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.543 -3.610 11.469 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.884 -4.324 13.237 1.00 0.00 C ATOM 0 H THR A 27 -3.319 -3.589 9.483 1.00 0.00 H new ATOM 0 HA THR A 27 -4.157 -5.763 11.119 1.00 0.00 H new ATOM 0 HB THR A 27 -4.534 -2.860 11.797 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.442 -2.860 10.846 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.496 -3.569 13.920 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.893 -4.604 13.541 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.240 -5.203 13.264 1.00 0.00 H new ATOM 442 N SER A 28 -6.502 -4.093 9.719 1.00 0.00 N ATOM 443 CA SER A 28 -7.940 -4.030 9.520 1.00 0.00 C ATOM 444 C SER A 28 -8.450 -5.360 8.962 1.00 0.00 C ATOM 445 O SER A 28 -9.541 -5.806 9.312 1.00 0.00 O ATOM 446 CB SER A 28 -8.316 -2.881 8.582 1.00 0.00 C ATOM 447 OG SER A 28 -8.472 -3.321 7.235 1.00 0.00 O ATOM 0 H SER A 28 -5.954 -3.565 9.040 1.00 0.00 H new ATOM 0 HA SER A 28 -8.411 -3.844 10.485 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.244 -2.423 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.546 -2.111 8.625 1.00 0.00 H new ATOM 0 HG SER A 28 -7.648 -3.761 6.937 1.00 0.00 H new ATOM 453 N THR A 29 -7.636 -5.955 8.103 1.00 0.00 N ATOM 454 CA THR A 29 -7.992 -7.225 7.493 1.00 0.00 C ATOM 455 C THR A 29 -7.800 -8.369 8.491 1.00 0.00 C ATOM 456 O THR A 29 -8.709 -9.170 8.705 1.00 0.00 O ATOM 457 CB THR A 29 -7.161 -7.387 6.218 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.133 -6.078 5.654 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.871 -8.233 5.160 1.00 0.00 C ATOM 0 H THR A 29 -6.732 -5.582 7.815 1.00 0.00 H new ATOM 0 HA THR A 29 -9.046 -7.249 7.217 1.00 0.00 H new ATOM 0 HB THR A 29 -6.203 -7.844 6.465 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.390 -5.570 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.238 -8.316 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.067 -9.227 5.561 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.814 -7.759 4.888 1.00 0.00 H new ATOM 467 N ALA A 30 -6.612 -8.408 9.076 1.00 0.00 N ATOM 468 CA ALA A 30 -6.290 -9.440 10.047 1.00 0.00 C ATOM 469 C ALA A 30 -7.445 -9.577 11.042 1.00 0.00 C ATOM 470 O ALA A 30 -7.712 -10.669 11.541 1.00 0.00 O ATOM 471 CB ALA A 30 -4.966 -9.099 10.735 1.00 0.00 C ATOM 0 H ALA A 30 -5.861 -7.742 8.896 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.163 -10.404 9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.725 -9.873 11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.173 -9.042 9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.057 -8.139 11.243 1.00 0.00 H new ATOM 477 N THR A 31 -8.098 -8.454 11.299 1.00 0.00 N ATOM 478 CA THR A 31 -9.218 -8.435 12.225 1.00 0.00 C ATOM 479 C THR A 31 -10.312 -9.397 11.758 1.00 0.00 C ATOM 480 O THR A 31 -10.996 -10.009 12.576 1.00 0.00 O ATOM 481 CB THR A 31 -9.697 -6.988 12.358 1.00 0.00 C ATOM 482 OG1 THR A 31 -8.658 -6.344 13.090 1.00 0.00 O ATOM 483 CG2 THR A 31 -10.925 -6.858 13.261 1.00 0.00 C ATOM 0 H THR A 31 -7.873 -7.550 10.882 1.00 0.00 H new ATOM 0 HA THR A 31 -8.921 -8.786 13.213 1.00 0.00 H new ATOM 0 HB THR A 31 -9.930 -6.591 11.370 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.044 -5.903 12.467 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.223 -5.811 13.321 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.745 -7.446 12.848 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.683 -7.224 14.259 1.00 0.00 H new ATOM 491 N VAL A 32 -10.444 -9.499 10.443 1.00 0.00 N ATOM 492 CA VAL A 32 -11.443 -10.376 9.857 1.00 0.00 C ATOM 493 C VAL A 32 -11.101 -11.829 10.194 1.00 0.00 C ATOM 494 O VAL A 32 -11.964 -12.704 10.133 1.00 0.00 O ATOM 495 CB VAL A 32 -11.547 -10.120 8.353 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.770 -10.823 7.759 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.579 -8.620 8.053 1.00 0.00 C ATOM 0 H VAL A 32 -9.875 -8.989 9.767 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.427 -10.168 10.277 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.658 -10.538 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.820 -10.624 6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.689 -11.897 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.674 -10.449 8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.653 -8.466 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.441 -8.169 8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.666 -8.155 8.424 1.00 0.00 H new ATOM 507 N LEU A 33 -9.840 -12.041 10.542 1.00 0.00 N ATOM 508 CA LEU A 33 -9.374 -13.373 10.888 1.00 0.00 C ATOM 509 C LEU A 33 -9.268 -13.492 12.409 1.00 0.00 C ATOM 510 O LEU A 33 -8.457 -14.263 12.920 1.00 0.00 O ATOM 511 CB LEU A 33 -8.069 -13.691 10.154 1.00 0.00 C ATOM 512 CG LEU A 33 -8.085 -13.483 8.638 1.00 0.00 C ATOM 513 CD1 LEU A 33 -6.720 -13.806 8.026 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.210 -14.289 7.986 1.00 0.00 C ATOM 0 H LEU A 33 -9.127 -11.313 10.592 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.090 -14.125 10.558 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.277 -13.073 10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.805 -14.729 10.356 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.286 -12.430 8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.759 -13.650 6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.963 -13.153 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.465 -14.845 8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.199 -14.123 6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.064 -15.349 8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.169 -13.969 8.393 1.00 0.00 H new ATOM 526 N GLY A 34 -10.098 -12.716 13.091 1.00 0.00 N ATOM 527 CA GLY A 34 -10.108 -12.725 14.544 1.00 0.00 C ATOM 528 C GLY A 34 -8.688 -12.848 15.101 1.00 0.00 C ATOM 529 O GLY A 34 -8.436 -13.652 15.997 1.00 0.00 O ATOM 0 H GLY A 34 -10.768 -12.077 12.664 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.570 -11.809 14.914 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.716 -13.556 14.902 1.00 0.00 H new ATOM 533 N HIS A 35 -7.798 -12.038 14.548 1.00 0.00 N ATOM 534 CA HIS A 35 -6.410 -12.045 14.978 1.00 0.00 C ATOM 535 C HIS A 35 -5.942 -10.610 15.225 1.00 0.00 C ATOM 536 O HIS A 35 -6.538 -9.662 14.716 1.00 0.00 O ATOM 537 CB HIS A 35 -5.533 -12.790 13.970 1.00 0.00 C ATOM 538 CG HIS A 35 -5.200 -14.207 14.375 1.00 0.00 C ATOM 539 ND1 HIS A 35 -4.802 -14.547 15.656 1.00 0.00 N ATOM 540 CD2 HIS A 35 -5.212 -15.365 13.655 1.00 0.00 C ATOM 541 CE1 HIS A 35 -4.585 -15.853 15.694 1.00 0.00 C ATOM 542 NE2 HIS A 35 -4.839 -16.359 14.452 1.00 0.00 N ATOM 0 H HIS A 35 -8.011 -11.372 13.805 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.320 -12.586 15.920 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.041 -12.808 13.006 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.605 -12.235 13.831 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.480 -15.458 12.613 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.264 -16.418 16.556 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.756 -17.339 14.181 1.00 0.00 H new ATOM 550 N ASP A 36 -4.878 -10.495 16.007 1.00 0.00 N ATOM 551 CA ASP A 36 -4.323 -9.191 16.328 1.00 0.00 C ATOM 552 C ASP A 36 -2.807 -9.223 16.124 1.00 0.00 C ATOM 553 O ASP A 36 -2.045 -9.065 17.077 1.00 0.00 O ATOM 554 CB ASP A 36 -4.596 -8.819 17.786 1.00 0.00 C ATOM 555 CG ASP A 36 -5.907 -8.069 18.028 1.00 0.00 C ATOM 556 OD1 ASP A 36 -6.955 -8.417 17.464 1.00 0.00 O ATOM 557 OD2 ASP A 36 -5.824 -7.074 18.845 1.00 0.00 O ATOM 0 H ASP A 36 -4.386 -11.283 16.427 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.792 -8.455 15.675 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.601 -9.731 18.383 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.772 -8.205 18.149 1.00 0.00 H new ATOM 563 N ASP A 37 -2.413 -9.430 14.876 1.00 0.00 N ATOM 564 CA ASP A 37 -1.002 -9.485 14.535 1.00 0.00 C ATOM 565 C ASP A 37 -0.843 -9.377 13.017 1.00 0.00 C ATOM 566 O ASP A 37 -1.230 -10.284 12.283 1.00 0.00 O ATOM 567 CB ASP A 37 -0.379 -10.808 14.983 1.00 0.00 C ATOM 568 CG ASP A 37 1.055 -11.043 14.502 1.00 0.00 C ATOM 569 OD1 ASP A 37 1.969 -10.265 14.815 1.00 0.00 O ATOM 570 OD2 ASP A 37 1.219 -12.090 13.767 1.00 0.00 O ATOM 0 H ASP A 37 -3.047 -9.562 14.088 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.500 -8.660 15.041 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.392 -10.848 16.072 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.005 -11.626 14.626 1.00 0.00 H new ATOM 576 N PRO A 38 -0.258 -8.229 12.581 1.00 0.00 N ATOM 577 CA PRO A 38 -0.044 -7.991 11.164 1.00 0.00 C ATOM 578 C PRO A 38 1.124 -8.827 10.638 1.00 0.00 C ATOM 579 O PRO A 38 1.252 -9.031 9.431 1.00 0.00 O ATOM 580 CB PRO A 38 0.198 -6.494 11.049 1.00 0.00 C ATOM 581 CG PRO A 38 0.570 -6.024 12.445 1.00 0.00 C ATOM 582 CD PRO A 38 0.212 -7.132 13.422 1.00 0.00 C ATOM 0 HA PRO A 38 -0.895 -8.292 10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.997 -6.281 10.339 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.694 -5.981 10.689 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.635 -5.796 12.500 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.035 -5.108 12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.076 -7.430 14.016 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.560 -6.810 14.121 1.00 0.00 H new ATOM 590 N LYS A 39 1.946 -9.288 11.568 1.00 0.00 N ATOM 591 CA LYS A 39 3.100 -10.098 11.214 1.00 0.00 C ATOM 592 C LYS A 39 2.629 -11.352 10.475 1.00 0.00 C ATOM 593 O LYS A 39 3.412 -11.998 9.780 1.00 0.00 O ATOM 594 CB LYS A 39 3.947 -10.395 12.452 1.00 0.00 C ATOM 595 CG LYS A 39 5.434 -10.172 12.166 1.00 0.00 C ATOM 596 CD LYS A 39 6.285 -10.518 13.389 1.00 0.00 C ATOM 597 CE LYS A 39 6.617 -12.011 13.423 1.00 0.00 C ATOM 598 NZ LYS A 39 7.948 -12.260 12.825 1.00 0.00 N ATOM 0 H LYS A 39 1.836 -9.116 12.567 1.00 0.00 H new ATOM 0 HA LYS A 39 3.754 -9.553 10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.631 -9.754 13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.785 -11.425 12.770 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.741 -10.786 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.602 -9.133 11.884 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.207 -9.937 13.370 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.751 -10.240 14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.601 -12.370 14.452 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.857 -12.571 12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.158 -13.278 12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.951 -11.936 11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.672 -11.741 13.361 1.00 0.00 H new ATOM 611 N ALA A 40 1.352 -11.659 10.651 1.00 0.00 N ATOM 612 CA ALA A 40 0.768 -12.825 10.010 1.00 0.00 C ATOM 613 C ALA A 40 0.134 -12.407 8.681 1.00 0.00 C ATOM 614 O ALA A 40 -0.860 -12.991 8.253 1.00 0.00 O ATOM 615 CB ALA A 40 -0.241 -13.477 10.957 1.00 0.00 C ATOM 0 H ALA A 40 0.706 -11.121 11.228 1.00 0.00 H new ATOM 0 HA ALA A 40 1.536 -13.567 9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.679 -14.352 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.264 -13.782 11.873 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.028 -12.763 11.197 1.00 0.00 H new ATOM 621 N VAL A 41 0.736 -11.399 8.066 1.00 0.00 N ATOM 622 CA VAL A 41 0.243 -10.897 6.795 1.00 0.00 C ATOM 623 C VAL A 41 1.186 -9.806 6.283 1.00 0.00 C ATOM 624 O VAL A 41 1.921 -9.201 7.061 1.00 0.00 O ATOM 625 CB VAL A 41 -1.201 -10.415 6.948 1.00 0.00 C ATOM 626 CG1 VAL A 41 -1.247 -8.943 7.365 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.995 -10.645 5.661 1.00 0.00 C ATOM 0 H VAL A 41 1.560 -10.917 8.424 1.00 0.00 H new ATOM 0 HA VAL A 41 0.229 -11.692 6.049 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.668 -11.002 7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.285 -8.626 7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.735 -8.819 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.754 -8.334 6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.018 -10.294 5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.529 -10.096 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.005 -11.709 5.425 1.00 0.00 H new ATOM 637 N ARG A 42 1.133 -9.589 4.977 1.00 0.00 N ATOM 638 CA ARG A 42 1.974 -8.582 4.351 1.00 0.00 C ATOM 639 C ARG A 42 1.110 -7.531 3.650 1.00 0.00 C ATOM 640 O ARG A 42 -0.116 -7.627 3.654 1.00 0.00 O ATOM 641 CB ARG A 42 2.924 -9.214 3.332 1.00 0.00 C ATOM 642 CG ARG A 42 4.355 -9.260 3.872 1.00 0.00 C ATOM 643 CD ARG A 42 5.285 -8.380 3.035 1.00 0.00 C ATOM 644 NE ARG A 42 5.807 -9.148 1.882 1.00 0.00 N ATOM 645 CZ ARG A 42 6.872 -8.773 1.142 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.539 -7.635 1.429 1.00 0.00 N ATOM 647 NH2 ARG A 42 7.251 -9.536 0.134 1.00 0.00 N ATOM 0 H ARG A 42 0.521 -10.093 4.335 1.00 0.00 H new ATOM 0 HA ARG A 42 2.564 -8.108 5.135 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.589 -10.223 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.900 -8.643 2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.367 -8.925 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.717 -10.288 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.747 -7.500 2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.112 -8.023 3.649 1.00 0.00 H new ATOM 0 HE ARG A 42 5.332 -10.015 1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.239 -7.051 2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.343 -7.359 0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.741 -10.394 -0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.054 -9.267 -0.435 1.00 0.00 H new ATOM 660 N ALA A 43 1.785 -6.553 3.064 1.00 0.00 N ATOM 661 CA ALA A 43 1.095 -5.485 2.361 1.00 0.00 C ATOM 662 C ALA A 43 0.870 -5.901 0.906 1.00 0.00 C ATOM 663 O ALA A 43 -0.085 -5.458 0.270 1.00 0.00 O ATOM 664 CB ALA A 43 1.902 -4.191 2.479 1.00 0.00 C ATOM 0 H ALA A 43 2.802 -6.478 3.062 1.00 0.00 H new ATOM 0 HA ALA A 43 0.117 -5.301 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.384 -3.390 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.009 -3.923 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.889 -4.336 2.039 1.00 0.00 H new ATOM 670 N THR A 44 1.766 -6.749 0.421 1.00 0.00 N ATOM 671 CA THR A 44 1.677 -7.230 -0.947 1.00 0.00 C ATOM 672 C THR A 44 1.415 -8.737 -0.967 1.00 0.00 C ATOM 673 O THR A 44 1.996 -9.461 -1.774 1.00 0.00 O ATOM 674 CB THR A 44 2.962 -6.827 -1.674 1.00 0.00 C ATOM 675 OG1 THR A 44 3.998 -7.139 -0.747 1.00 0.00 O ATOM 676 CG2 THR A 44 3.076 -5.313 -1.865 1.00 0.00 C ATOM 0 H THR A 44 2.557 -7.115 0.951 1.00 0.00 H new ATOM 0 HA THR A 44 0.834 -6.779 -1.471 1.00 0.00 H new ATOM 0 HB THR A 44 2.999 -7.319 -2.646 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.867 -6.911 -1.138 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.005 -5.081 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.231 -4.956 -2.454 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.073 -4.822 -0.892 1.00 0.00 H new ATOM 684 N THR A 45 0.541 -9.165 -0.068 1.00 0.00 N ATOM 685 CA THR A 45 0.195 -10.573 0.028 1.00 0.00 C ATOM 686 C THR A 45 -1.187 -10.825 -0.578 1.00 0.00 C ATOM 687 O THR A 45 -2.004 -9.910 -0.674 1.00 0.00 O ATOM 688 CB THR A 45 0.298 -10.986 1.498 1.00 0.00 C ATOM 689 OG1 THR A 45 1.171 -12.112 1.482 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.019 -11.542 2.044 1.00 0.00 C ATOM 0 H THR A 45 0.062 -8.562 0.600 1.00 0.00 H new ATOM 0 HA THR A 45 0.885 -11.190 -0.547 1.00 0.00 H new ATOM 0 HB THR A 45 0.604 -10.127 2.096 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.295 -12.443 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.891 -11.820 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.796 -10.782 1.963 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.309 -12.421 1.468 1.00 0.00 H new ATOM 698 N PRO A 46 -1.412 -12.104 -0.983 1.00 0.00 N ATOM 699 CA PRO A 46 -2.681 -12.488 -1.577 1.00 0.00 C ATOM 700 C PRO A 46 -3.775 -12.596 -0.513 1.00 0.00 C ATOM 701 O PRO A 46 -3.739 -13.489 0.332 1.00 0.00 O ATOM 702 CB PRO A 46 -2.403 -13.808 -2.279 1.00 0.00 C ATOM 703 CG PRO A 46 -1.120 -14.344 -1.665 1.00 0.00 C ATOM 704 CD PRO A 46 -0.469 -13.214 -0.886 1.00 0.00 C ATOM 0 HA PRO A 46 -3.056 -11.747 -2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.227 -14.508 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.291 -13.663 -3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.334 -15.187 -1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.448 -14.709 -2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.297 -13.497 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.500 -12.948 -1.309 1.00 0.00 H new ATOM 712 N PHE A 47 -4.723 -11.673 -0.589 1.00 0.00 N ATOM 713 CA PHE A 47 -5.825 -11.653 0.357 1.00 0.00 C ATOM 714 C PHE A 47 -6.607 -12.967 0.317 1.00 0.00 C ATOM 715 O PHE A 47 -7.397 -13.252 1.216 1.00 0.00 O ATOM 716 CB PHE A 47 -6.752 -10.509 -0.060 1.00 0.00 C ATOM 717 CG PHE A 47 -7.647 -10.838 -1.256 1.00 0.00 C ATOM 718 CD1 PHE A 47 -8.772 -11.581 -1.080 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.317 -10.387 -2.496 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.602 -11.887 -2.190 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.147 -10.693 -3.607 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.273 -11.436 -3.430 1.00 0.00 C ATOM 0 H PHE A 47 -4.750 -10.934 -1.291 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.443 -11.520 1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.381 -10.237 0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.147 -9.635 -0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.034 -11.938 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.424 -9.796 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.495 -12.478 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.885 -10.336 -4.592 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.905 -11.668 -4.274 1.00 0.00 H new ATOM 732 N LYS A 48 -6.359 -13.734 -0.735 1.00 0.00 N ATOM 733 CA LYS A 48 -7.030 -15.011 -0.905 1.00 0.00 C ATOM 734 C LYS A 48 -6.305 -16.077 -0.081 1.00 0.00 C ATOM 735 O LYS A 48 -6.802 -17.191 0.075 1.00 0.00 O ATOM 736 CB LYS A 48 -7.151 -15.360 -2.390 1.00 0.00 C ATOM 737 CG LYS A 48 -8.450 -16.117 -2.671 1.00 0.00 C ATOM 738 CD LYS A 48 -9.419 -15.259 -3.488 1.00 0.00 C ATOM 739 CE LYS A 48 -10.305 -16.131 -4.380 1.00 0.00 C ATOM 740 NZ LYS A 48 -11.237 -16.935 -3.558 1.00 0.00 N ATOM 0 H LYS A 48 -5.702 -13.495 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.052 -14.957 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.122 -14.447 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.299 -15.967 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.229 -17.037 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.918 -16.405 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.042 -14.668 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.858 -14.556 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.869 -15.502 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.684 -16.790 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.865 -17.483 -4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.695 -17.585 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.807 -16.303 -2.961 1.00 0.00 H new ATOM 753 N GLU A 49 -5.141 -15.696 0.426 1.00 0.00 N ATOM 754 CA GLU A 49 -4.343 -16.605 1.231 1.00 0.00 C ATOM 755 C GLU A 49 -4.615 -16.376 2.719 1.00 0.00 C ATOM 756 O GLU A 49 -4.485 -17.294 3.526 1.00 0.00 O ATOM 757 CB GLU A 49 -2.853 -16.452 0.916 1.00 0.00 C ATOM 758 CG GLU A 49 -2.238 -15.306 1.722 1.00 0.00 C ATOM 759 CD GLU A 49 -1.483 -15.838 2.942 1.00 0.00 C ATOM 760 OE1 GLU A 49 -0.390 -16.405 2.796 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.070 -15.643 4.074 1.00 0.00 O ATOM 0 H GLU A 49 -4.732 -14.771 0.295 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.631 -17.627 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.332 -17.382 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.720 -16.264 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.558 -14.735 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.023 -14.622 2.045 1.00 0.00 H new ATOM 769 N LEU A 50 -4.987 -15.144 3.036 1.00 0.00 N ATOM 770 CA LEU A 50 -5.279 -14.782 4.413 1.00 0.00 C ATOM 771 C LEU A 50 -6.688 -15.258 4.773 1.00 0.00 C ATOM 772 O LEU A 50 -7.040 -15.333 5.949 1.00 0.00 O ATOM 773 CB LEU A 50 -5.061 -13.284 4.630 1.00 0.00 C ATOM 774 CG LEU A 50 -5.936 -12.350 3.791 1.00 0.00 C ATOM 775 CD1 LEU A 50 -7.369 -12.313 4.326 1.00 0.00 C ATOM 776 CD2 LEU A 50 -5.320 -10.952 3.705 1.00 0.00 C ATOM 0 H LEU A 50 -5.093 -14.385 2.363 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.590 -15.282 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.232 -13.061 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.016 -13.055 4.421 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.982 -12.745 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.969 -11.642 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.796 -13.315 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.364 -11.955 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.961 -10.308 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.224 -10.534 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.335 -11.016 3.243 1.00 0.00 H new ATOM 788 N GLY A 51 -7.457 -15.566 3.739 1.00 0.00 N ATOM 789 CA GLY A 51 -8.819 -16.032 3.931 1.00 0.00 C ATOM 790 C GLY A 51 -9.812 -14.870 3.858 1.00 0.00 C ATOM 791 O GLY A 51 -9.779 -13.967 4.693 1.00 0.00 O ATOM 0 H GLY A 51 -7.162 -15.502 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.064 -16.773 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.905 -16.528 4.898 1.00 0.00 H new ATOM 795 N PHE A 52 -10.670 -14.929 2.851 1.00 0.00 N ATOM 796 CA PHE A 52 -11.670 -13.893 2.657 1.00 0.00 C ATOM 797 C PHE A 52 -12.865 -14.425 1.863 1.00 0.00 C ATOM 798 O PHE A 52 -12.701 -15.253 0.968 1.00 0.00 O ATOM 799 CB PHE A 52 -11.003 -12.771 1.860 1.00 0.00 C ATOM 800 CG PHE A 52 -10.789 -11.483 2.658 1.00 0.00 C ATOM 801 CD1 PHE A 52 -11.712 -11.090 3.575 1.00 0.00 C ATOM 802 CD2 PHE A 52 -9.674 -10.731 2.449 1.00 0.00 C ATOM 803 CE1 PHE A 52 -11.513 -9.895 4.316 1.00 0.00 C ATOM 804 CE2 PHE A 52 -9.476 -9.536 3.190 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.399 -9.143 4.108 1.00 0.00 C ATOM 0 H PHE A 52 -10.694 -15.679 2.160 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.036 -13.545 3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.039 -13.123 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.614 -12.547 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.597 -11.687 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.940 -11.043 1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -12.246 -9.583 5.045 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.592 -8.939 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.248 -8.234 4.672 1.00 0.00 H new ATOM 815 N ASP A 53 -14.040 -13.929 2.220 1.00 0.00 N ATOM 816 CA ASP A 53 -15.262 -14.344 1.553 1.00 0.00 C ATOM 817 C ASP A 53 -16.299 -13.224 1.654 1.00 0.00 C ATOM 818 O ASP A 53 -16.002 -12.141 2.156 1.00 0.00 O ATOM 819 CB ASP A 53 -15.851 -15.594 2.210 1.00 0.00 C ATOM 820 CG ASP A 53 -14.963 -16.838 2.144 1.00 0.00 C ATOM 821 OD1 ASP A 53 -14.560 -17.278 1.057 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.683 -17.369 3.286 1.00 0.00 O ATOM 0 H ASP A 53 -14.172 -13.243 2.963 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.020 -14.563 0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.062 -15.371 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.805 -15.821 1.734 1.00 0.00 H new ATOM 828 N SER A 54 -17.495 -13.523 1.168 1.00 0.00 N ATOM 829 CA SER A 54 -18.578 -12.554 1.197 1.00 0.00 C ATOM 830 C SER A 54 -18.870 -12.138 2.641 1.00 0.00 C ATOM 831 O SER A 54 -19.540 -11.134 2.878 1.00 0.00 O ATOM 832 CB SER A 54 -19.840 -13.119 0.543 1.00 0.00 C ATOM 833 OG SER A 54 -19.548 -13.820 -0.663 1.00 0.00 O ATOM 0 H SER A 54 -17.738 -14.422 0.752 1.00 0.00 H new ATOM 0 HA SER A 54 -18.268 -11.677 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.340 -13.791 1.241 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.534 -12.305 0.331 1.00 0.00 H new ATOM 0 HG SER A 54 -20.379 -14.167 -1.049 1.00 0.00 H new ATOM 839 N LEU A 55 -18.352 -12.932 3.567 1.00 0.00 N ATOM 840 CA LEU A 55 -18.549 -12.659 4.981 1.00 0.00 C ATOM 841 C LEU A 55 -17.394 -11.796 5.495 1.00 0.00 C ATOM 842 O LEU A 55 -17.614 -10.701 6.009 1.00 0.00 O ATOM 843 CB LEU A 55 -18.735 -13.963 5.758 1.00 0.00 C ATOM 844 CG LEU A 55 -20.179 -14.431 5.947 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.312 -15.929 5.664 1.00 0.00 C ATOM 846 CD2 LEU A 55 -20.697 -14.063 7.338 1.00 0.00 C ATOM 0 H LEU A 55 -17.797 -13.764 3.366 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.466 -12.090 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.183 -14.750 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.281 -13.845 6.742 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.804 -13.910 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.348 -16.235 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.010 -16.133 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.672 -16.487 6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.726 -14.407 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.074 -14.538 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.661 -12.981 7.465 1.00 0.00 H new ATOM 858 N ALA A 56 -16.189 -12.323 5.337 1.00 0.00 N ATOM 859 CA ALA A 56 -14.999 -11.616 5.779 1.00 0.00 C ATOM 860 C ALA A 56 -14.820 -10.352 4.935 1.00 0.00 C ATOM 861 O ALA A 56 -14.389 -9.318 5.443 1.00 0.00 O ATOM 862 CB ALA A 56 -13.789 -12.549 5.695 1.00 0.00 C ATOM 0 H ALA A 56 -16.011 -13.232 4.909 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.100 -11.307 6.819 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.897 -12.018 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.954 -13.417 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.654 -12.878 4.665 1.00 0.00 H new ATOM 868 N ALA A 57 -15.160 -10.477 3.661 1.00 0.00 N ATOM 869 CA ALA A 57 -15.043 -9.357 2.742 1.00 0.00 C ATOM 870 C ALA A 57 -16.026 -8.260 3.153 1.00 0.00 C ATOM 871 O ALA A 57 -15.717 -7.074 3.049 1.00 0.00 O ATOM 872 CB ALA A 57 -15.278 -9.844 1.311 1.00 0.00 C ATOM 0 H ALA A 57 -15.517 -11.336 3.243 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.040 -8.932 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.190 -9.004 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.535 -10.600 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.276 -10.275 1.233 1.00 0.00 H new ATOM 878 N VAL A 58 -17.190 -8.695 3.612 1.00 0.00 N ATOM 879 CA VAL A 58 -18.221 -7.764 4.040 1.00 0.00 C ATOM 880 C VAL A 58 -17.840 -7.177 5.401 1.00 0.00 C ATOM 881 O VAL A 58 -18.156 -6.026 5.695 1.00 0.00 O ATOM 882 CB VAL A 58 -19.584 -8.460 4.049 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.520 -7.819 5.076 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.212 -8.453 2.654 1.00 0.00 C ATOM 0 H VAL A 58 -17.442 -9.680 3.697 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.300 -6.933 3.339 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.428 -9.499 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.482 -8.332 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.080 -7.900 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.666 -6.768 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.180 -8.954 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.347 -7.424 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.557 -8.976 1.958 1.00 0.00 H new ATOM 894 N ARG A 59 -17.166 -7.997 6.195 1.00 0.00 N ATOM 895 CA ARG A 59 -16.739 -7.574 7.517 1.00 0.00 C ATOM 896 C ARG A 59 -15.592 -6.567 7.408 1.00 0.00 C ATOM 897 O ARG A 59 -15.383 -5.757 8.310 1.00 0.00 O ATOM 898 CB ARG A 59 -16.281 -8.768 8.357 1.00 0.00 C ATOM 899 CG ARG A 59 -16.872 -8.706 9.767 1.00 0.00 C ATOM 900 CD ARG A 59 -16.070 -9.577 10.736 1.00 0.00 C ATOM 901 NE ARG A 59 -16.323 -9.148 12.130 1.00 0.00 N ATOM 902 CZ ARG A 59 -17.473 -9.382 12.797 1.00 0.00 C ATOM 903 NH1 ARG A 59 -18.488 -10.045 12.202 1.00 0.00 N ATOM 904 NH2 ARG A 59 -17.591 -8.953 14.040 1.00 0.00 N ATOM 0 H ARG A 59 -16.906 -8.952 5.948 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.593 -7.106 8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.584 -9.696 7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.193 -8.780 8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.877 -7.674 10.118 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.909 -9.040 9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.348 -10.624 10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.006 -9.501 10.511 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.582 -8.644 12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.389 -10.373 11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.354 -10.218 12.713 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.820 -8.453 14.482 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.453 -9.122 14.558 1.00 0.00 H new ATOM 917 N LEU A 60 -14.877 -6.651 6.295 1.00 0.00 N ATOM 918 CA LEU A 60 -13.757 -5.758 6.056 1.00 0.00 C ATOM 919 C LEU A 60 -14.284 -4.392 5.613 1.00 0.00 C ATOM 920 O LEU A 60 -14.000 -3.377 6.247 1.00 0.00 O ATOM 921 CB LEU A 60 -12.772 -6.386 5.067 1.00 0.00 C ATOM 922 CG LEU A 60 -11.547 -5.541 4.711 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.439 -5.715 5.751 1.00 0.00 C ATOM 924 CD2 LEU A 60 -11.059 -5.853 3.295 1.00 0.00 C ATOM 0 H LEU A 60 -15.052 -7.324 5.549 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.194 -5.600 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.427 -7.334 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.309 -6.617 4.147 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.840 -4.491 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.580 -5.104 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.806 -5.403 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.140 -6.762 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.188 -5.239 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.788 -6.907 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.853 -5.636 2.580 1.00 0.00 H new ATOM 936 N ARG A 61 -15.044 -4.410 4.528 1.00 0.00 N ATOM 937 CA ARG A 61 -15.614 -3.185 3.993 1.00 0.00 C ATOM 938 C ARG A 61 -16.387 -2.439 5.083 1.00 0.00 C ATOM 939 O ARG A 61 -16.584 -1.228 4.991 1.00 0.00 O ATOM 940 CB ARG A 61 -16.554 -3.480 2.822 1.00 0.00 C ATOM 941 CG ARG A 61 -17.130 -2.187 2.242 1.00 0.00 C ATOM 942 CD ARG A 61 -18.633 -2.087 2.512 1.00 0.00 C ATOM 943 NE ARG A 61 -19.391 -2.636 1.365 1.00 0.00 N ATOM 944 CZ ARG A 61 -20.728 -2.821 1.360 1.00 0.00 C ATOM 945 NH1 ARG A 61 -21.468 -2.501 2.443 1.00 0.00 N ATOM 946 NH2 ARG A 61 -21.301 -3.319 0.280 1.00 0.00 N ATOM 0 H ARG A 61 -15.278 -5.254 4.005 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.792 -2.565 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.014 -4.022 2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.366 -4.126 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.620 -1.329 2.680 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.947 -2.153 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.885 -2.634 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.912 -1.047 2.679 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.870 -2.890 0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -21.017 -2.116 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.478 -2.644 2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.734 -3.558 -0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.310 -3.465 0.259 1.00 0.00 H new ATOM 959 N ASN A 62 -16.803 -3.193 6.089 1.00 0.00 N ATOM 960 CA ASN A 62 -17.550 -2.618 7.196 1.00 0.00 C ATOM 961 C ASN A 62 -16.573 -2.012 8.204 1.00 0.00 C ATOM 962 O ASN A 62 -16.918 -1.074 8.922 1.00 0.00 O ATOM 963 CB ASN A 62 -18.373 -3.687 7.918 1.00 0.00 C ATOM 964 CG ASN A 62 -19.823 -3.685 7.431 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.702 -3.077 8.019 1.00 0.00 O ATOM 966 ND2 ASN A 62 -20.023 -4.396 6.325 1.00 0.00 N ATOM 0 H ASN A 62 -16.638 -4.197 6.162 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.220 -1.858 6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.930 -4.668 7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.346 -3.507 8.993 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.957 -4.456 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.243 -4.881 5.883 1.00 0.00 H new ATOM 973 N LEU A 63 -15.372 -2.571 8.227 1.00 0.00 N ATOM 974 CA LEU A 63 -14.342 -2.097 9.136 1.00 0.00 C ATOM 975 C LEU A 63 -13.544 -0.982 8.458 1.00 0.00 C ATOM 976 O LEU A 63 -13.211 0.020 9.090 1.00 0.00 O ATOM 977 CB LEU A 63 -13.479 -3.263 9.623 1.00 0.00 C ATOM 978 CG LEU A 63 -12.194 -2.883 10.362 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.505 -2.057 11.612 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.362 -4.124 10.687 1.00 0.00 C ATOM 0 H LEU A 63 -15.089 -3.348 7.630 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.792 -1.668 10.032 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.083 -3.886 10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.212 -3.876 8.762 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.593 -2.256 9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.575 -1.800 12.119 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.026 -1.144 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.136 -2.638 12.284 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.454 -3.826 11.212 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.943 -4.796 11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.095 -4.635 9.762 1.00 0.00 H new ATOM 992 N LEU A 64 -13.261 -1.193 7.181 1.00 0.00 N ATOM 993 CA LEU A 64 -12.508 -0.217 6.411 1.00 0.00 C ATOM 994 C LEU A 64 -13.146 1.163 6.580 1.00 0.00 C ATOM 995 O LEU A 64 -12.488 2.183 6.384 1.00 0.00 O ATOM 996 CB LEU A 64 -12.387 -0.664 4.953 1.00 0.00 C ATOM 997 CG LEU A 64 -11.047 -1.283 4.550 1.00 0.00 C ATOM 998 CD1 LEU A 64 -11.160 -2.009 3.207 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.937 -0.230 4.540 1.00 0.00 C ATOM 0 H LEU A 64 -13.539 -2.025 6.660 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.487 -0.144 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.175 -1.389 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.574 0.198 4.313 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.777 -2.029 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.194 -2.440 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.903 -2.803 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.464 -1.302 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.995 -0.697 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.187 0.556 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.837 0.202 5.536 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.420 1.150 6.943 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.155 2.388 7.141 1.00 0.00 C ATOM 1013 C ASN A 65 -14.391 3.277 8.124 1.00 0.00 C ATOM 1014 O ASN A 65 -14.431 4.502 8.019 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.542 2.117 7.727 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.592 1.999 6.621 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -18.361 2.909 6.359 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.581 0.829 5.988 1.00 0.00 N ATOM 0 H ASN A 65 -14.962 0.302 7.105 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.262 2.876 6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.520 1.197 8.312 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.816 2.922 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.243 0.651 5.233 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.910 0.110 6.258 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.713 2.626 9.058 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.941 3.343 10.059 1.00 0.00 C ATOM 1027 C ALA A 66 -11.512 3.540 9.549 1.00 0.00 C ATOM 1028 O ALA A 66 -10.602 3.806 10.333 1.00 0.00 O ATOM 1029 CB ALA A 66 -12.988 2.578 11.383 1.00 0.00 C ATOM 0 H ALA A 66 -13.682 1.610 9.143 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.366 4.331 10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.409 3.115 12.134 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.022 2.490 11.716 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.566 1.583 11.243 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.361 3.404 8.240 1.00 0.00 N ATOM 1036 CA ALA A 67 -10.058 3.564 7.617 1.00 0.00 C ATOM 1037 C ALA A 67 -10.092 4.770 6.676 1.00 0.00 C ATOM 1038 O ALA A 67 -9.054 5.203 6.178 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.674 2.272 6.895 1.00 0.00 C ATOM 0 H ALA A 67 -12.119 3.185 7.594 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.294 3.755 8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.697 2.393 6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.635 1.452 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.417 2.049 6.129 1.00 0.00 H new ATOM 1045 N THR A 68 -11.297 5.278 6.461 1.00 0.00 N ATOM 1046 CA THR A 68 -11.481 6.425 5.588 1.00 0.00 C ATOM 1047 C THR A 68 -12.687 7.251 6.039 1.00 0.00 C ATOM 1048 O THR A 68 -12.614 8.477 6.108 1.00 0.00 O ATOM 1049 CB THR A 68 -11.598 5.912 4.151 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.299 4.679 4.279 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.245 5.512 3.560 1.00 0.00 C ATOM 0 H THR A 68 -12.155 4.916 6.876 1.00 0.00 H new ATOM 0 HA THR A 68 -10.627 7.101 5.638 1.00 0.00 H new ATOM 0 HB THR A 68 -12.053 6.681 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.258 4.856 4.376 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.385 5.155 2.540 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.581 6.376 3.555 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.804 4.719 4.164 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.769 6.546 6.334 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.990 7.198 6.777 1.00 0.00 C ATOM 1061 C GLY A 69 -16.170 6.821 5.878 1.00 0.00 C ATOM 1062 O GLY A 69 -17.326 6.991 6.262 1.00 0.00 O ATOM 0 H GLY A 69 -13.826 5.529 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.206 6.912 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.853 8.279 6.769 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.837 6.315 4.700 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.854 5.912 3.744 1.00 0.00 C ATOM 1068 C LEU A 70 -17.149 4.421 3.917 1.00 0.00 C ATOM 1069 O LEU A 70 -16.706 3.806 4.886 1.00 0.00 O ATOM 1070 CB LEU A 70 -16.437 6.296 2.323 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.990 5.976 1.940 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.911 5.413 0.519 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -14.091 7.201 2.122 1.00 0.00 C ATOM 0 H LEU A 70 -14.877 6.175 4.386 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.786 6.445 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -17.099 5.788 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.598 7.366 2.195 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.621 5.203 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.872 5.194 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.499 4.498 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.305 6.146 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.068 6.947 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.449 8.012 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.114 7.518 3.165 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.894 3.883 2.962 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.252 2.475 2.997 1.00 0.00 C ATOM 1087 C ARG A 71 -17.389 1.683 2.012 1.00 0.00 C ATOM 1088 O ARG A 71 -17.541 0.469 1.886 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.728 2.274 2.648 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.527 1.832 3.875 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.568 2.885 4.261 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.481 2.340 5.290 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.720 2.819 5.532 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -24.205 3.857 4.818 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -24.450 2.256 6.476 1.00 0.00 N ATOM 0 H ARG A 71 -18.259 4.396 2.160 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.077 2.113 4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.142 3.203 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.820 1.526 1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -21.023 0.884 3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.850 1.661 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.071 3.778 4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.137 3.186 3.381 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.154 1.554 5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.634 4.286 4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.142 4.213 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -24.076 1.471 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -25.388 2.605 6.672 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.503 2.403 1.340 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.616 1.783 0.371 1.00 0.00 C ATOM 1110 C LEU A 72 -16.435 0.894 -0.568 1.00 0.00 C ATOM 1111 O LEU A 72 -17.600 0.608 -0.298 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.479 1.045 1.080 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.170 1.822 1.236 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.034 2.390 2.650 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -11.969 0.956 0.848 1.00 0.00 C ATOM 0 H LEU A 72 -16.380 3.410 1.448 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.136 2.542 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.825 0.752 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.270 0.127 0.531 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.192 2.669 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.095 2.937 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.866 3.064 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.044 1.574 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.051 1.532 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.932 0.076 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.067 0.642 -0.191 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.775 0.471 -1.679 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.429 -0.380 -2.659 1.00 0.00 C ATOM 1129 C PRO A 73 -16.553 -1.815 -2.144 1.00 0.00 C ATOM 1130 O PRO A 73 -15.705 -2.281 -1.384 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.573 -0.270 -3.910 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.227 0.263 -3.448 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.395 0.790 -2.032 1.00 0.00 C ATOM 0 HA PRO A 73 -17.454 -0.072 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.463 -1.240 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.030 0.400 -4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.475 -0.525 -3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.882 1.056 -4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.692 0.316 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.212 1.864 -1.985 1.00 0.00 H new ATOM 1141 N SER A 74 -17.616 -2.477 -2.578 1.00 0.00 N ATOM 1142 CA SER A 74 -17.861 -3.850 -2.170 1.00 0.00 C ATOM 1143 C SER A 74 -17.026 -4.806 -3.023 1.00 0.00 C ATOM 1144 O SER A 74 -16.775 -5.942 -2.623 1.00 0.00 O ATOM 1145 CB SER A 74 -19.346 -4.200 -2.279 1.00 0.00 C ATOM 1146 OG SER A 74 -19.877 -3.880 -3.562 1.00 0.00 O ATOM 0 H SER A 74 -18.317 -2.088 -3.208 1.00 0.00 H new ATOM 0 HA SER A 74 -17.567 -3.954 -1.126 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.483 -5.264 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.903 -3.662 -1.512 1.00 0.00 H new ATOM 0 HG SER A 74 -20.827 -4.120 -3.592 1.00 0.00 H new ATOM 1152 N THR A 75 -16.618 -4.311 -4.182 1.00 0.00 N ATOM 1153 CA THR A 75 -15.816 -5.108 -5.095 1.00 0.00 C ATOM 1154 C THR A 75 -14.326 -4.864 -4.849 1.00 0.00 C ATOM 1155 O THR A 75 -13.480 -5.395 -5.566 1.00 0.00 O ATOM 1156 CB THR A 75 -16.258 -4.779 -6.523 1.00 0.00 C ATOM 1157 OG1 THR A 75 -15.614 -3.541 -6.809 1.00 0.00 O ATOM 1158 CG2 THR A 75 -17.750 -4.452 -6.613 1.00 0.00 C ATOM 0 H THR A 75 -16.828 -3.368 -4.510 1.00 0.00 H new ATOM 0 HA THR A 75 -15.970 -6.174 -4.929 1.00 0.00 H new ATOM 0 HB THR A 75 -16.031 -5.621 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.845 -3.254 -7.717 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.011 -4.226 -7.647 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.331 -5.308 -6.271 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.972 -3.589 -5.986 1.00 0.00 H new ATOM 1166 N LEU A 76 -14.051 -4.059 -3.833 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.678 -3.737 -3.483 1.00 0.00 C ATOM 1168 C LEU A 76 -11.960 -5.010 -3.032 1.00 0.00 C ATOM 1169 O LEU A 76 -10.964 -5.412 -3.631 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.638 -2.609 -2.451 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.025 -2.963 -1.094 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.158 -1.817 -0.569 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -13.108 -3.369 -0.092 1.00 0.00 C ATOM 0 H LEU A 76 -14.756 -3.620 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 76 -12.141 -3.359 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.077 -1.776 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.657 -2.257 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.372 -3.825 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.734 -2.094 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.352 -1.617 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.769 -0.922 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.645 -3.615 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.805 -2.543 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -13.646 -4.239 -0.470 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.494 -5.610 -1.978 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.916 -6.830 -1.439 1.00 0.00 C ATOM 1187 C VAL A 77 -11.460 -7.726 -2.592 1.00 0.00 C ATOM 1188 O VAL A 77 -10.508 -8.491 -2.449 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.918 -7.516 -0.508 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -14.289 -7.642 -1.175 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.400 -8.884 -0.058 1.00 0.00 C ATOM 0 H VAL A 77 -13.320 -5.274 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.036 -6.603 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.033 -6.892 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.982 -8.133 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -14.666 -6.650 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.197 -8.233 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.131 -9.350 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.243 -9.518 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.457 -8.759 0.475 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.162 -7.602 -3.709 1.00 0.00 N ATOM 1202 CA PHE A 78 -11.841 -8.392 -4.886 1.00 0.00 C ATOM 1203 C PHE A 78 -10.926 -7.615 -5.834 1.00 0.00 C ATOM 1204 O PHE A 78 -9.957 -8.163 -6.355 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.162 -8.689 -5.599 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.041 -8.777 -7.121 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.024 -7.641 -7.869 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -12.950 -9.991 -7.727 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -12.911 -7.722 -9.282 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -12.838 -10.073 -9.140 1.00 0.00 C ATOM 1211 CZ PHE A 78 -12.821 -8.937 -9.888 1.00 0.00 C ATOM 0 H PHE A 78 -12.952 -6.967 -3.824 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.323 -9.305 -4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -13.563 -9.630 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.882 -7.911 -5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.097 -6.677 -7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -12.963 -10.893 -7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.896 -6.820 -9.875 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -12.766 -11.037 -9.621 1.00 0.00 H new ATOM 0 HZ PHE A 78 -12.736 -8.999 -10.963 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.268 -6.349 -6.030 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.489 -5.491 -6.907 1.00 0.00 C ATOM 1223 C ASP A 79 -9.095 -5.290 -6.310 1.00 0.00 C ATOM 1224 O ASP A 79 -8.161 -4.919 -7.018 1.00 0.00 O ATOM 1225 CB ASP A 79 -11.143 -4.116 -7.055 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.618 -3.271 -8.217 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -9.407 -3.033 -8.336 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -11.521 -2.845 -9.033 1.00 0.00 O ATOM 0 H ASP A 79 -12.073 -5.898 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.432 -5.970 -7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.217 -4.253 -7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.000 -3.561 -6.128 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.999 -5.544 -5.013 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.734 -5.395 -4.313 1.00 0.00 C ATOM 1236 C HIS A 80 -7.111 -6.773 -4.082 1.00 0.00 C ATOM 1237 O HIS A 80 -7.616 -7.562 -3.286 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.921 -4.604 -3.017 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.911 -5.456 -1.771 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.984 -5.522 -0.899 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.949 -6.277 -1.259 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.671 -6.347 0.089 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.409 -6.814 -0.136 1.00 0.00 N ATOM 0 H HIS A 80 -9.776 -5.852 -4.429 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.040 -4.819 -4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.130 -3.858 -2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.866 -4.062 -3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.977 -6.459 -1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.304 -6.605 0.926 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.903 -7.468 0.461 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.991 -7.027 -4.812 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.293 -8.295 -4.695 1.00 0.00 C ATOM 1253 C PRO A 81 -4.499 -8.365 -3.389 1.00 0.00 C ATOM 1254 O PRO A 81 -4.266 -9.450 -2.858 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.412 -8.375 -5.931 1.00 0.00 C ATOM 1256 CG PRO A 81 -4.299 -6.953 -6.455 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.364 -6.116 -5.765 1.00 0.00 C ATOM 0 HA PRO A 81 -5.972 -9.146 -4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.430 -8.780 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.850 -9.034 -6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.307 -6.550 -6.254 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.438 -6.932 -7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.926 -5.255 -5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.090 -5.730 -6.481 1.00 0.00 H new ATOM 1265 N ASN A 82 -4.105 -7.195 -2.910 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.342 -7.109 -1.677 1.00 0.00 C ATOM 1267 C ASN A 82 -3.704 -5.815 -0.946 1.00 0.00 C ATOM 1268 O ASN A 82 -4.399 -4.961 -1.496 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.838 -7.087 -1.960 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.549 -6.501 -3.343 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.646 -5.307 -3.572 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.189 -7.406 -4.249 1.00 0.00 N ATOM 0 H ASN A 82 -4.300 -6.298 -3.354 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.583 -7.982 -1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.329 -6.497 -1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.438 -8.099 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.974 -7.115 -5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.128 -8.391 -3.990 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.217 -5.709 0.281 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.481 -4.533 1.093 1.00 0.00 C ATOM 1281 C ALA A 83 -2.900 -3.299 0.399 1.00 0.00 C ATOM 1282 O ALA A 83 -3.556 -2.262 0.316 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.904 -4.740 2.495 1.00 0.00 C ATOM 0 H ALA A 83 -2.641 -6.419 0.733 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.554 -4.375 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.102 -3.858 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.370 -5.611 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.828 -4.899 2.426 1.00 0.00 H new ATOM 1289 N SER A 84 -1.674 -3.452 -0.081 1.00 0.00 N ATOM 1290 CA SER A 84 -0.997 -2.363 -0.765 1.00 0.00 C ATOM 1291 C SER A 84 -1.937 -1.724 -1.789 1.00 0.00 C ATOM 1292 O SER A 84 -1.828 -0.533 -2.077 1.00 0.00 O ATOM 1293 CB SER A 84 0.281 -2.853 -1.449 1.00 0.00 C ATOM 1294 OG SER A 84 1.367 -1.951 -1.259 1.00 0.00 O ATOM 0 H SER A 84 -1.132 -4.313 -0.010 1.00 0.00 H new ATOM 0 HA SER A 84 -0.716 -1.615 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.550 -3.833 -1.055 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.096 -2.978 -2.516 1.00 0.00 H new ATOM 0 HG SER A 84 2.165 -2.300 -1.709 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.837 -2.544 -2.311 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.795 -2.073 -3.297 1.00 0.00 C ATOM 1302 C ALA A 85 -4.852 -1.211 -2.604 1.00 0.00 C ATOM 1303 O ALA A 85 -5.003 -0.032 -2.922 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.406 -3.270 -4.027 1.00 0.00 C ATOM 0 H ALA A 85 -2.923 -3.531 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.302 -1.452 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.125 -2.917 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.617 -3.833 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.912 -3.915 -3.308 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.556 -1.832 -1.669 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.595 -1.136 -0.929 1.00 0.00 C ATOM 1312 C VAL A 86 -6.123 0.283 -0.609 1.00 0.00 C ATOM 1313 O VAL A 86 -6.843 1.250 -0.855 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.972 -1.936 0.320 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.903 -1.129 1.227 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.604 -3.278 -0.059 1.00 0.00 C ATOM 0 H VAL A 86 -5.427 -2.809 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.500 -1.050 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.057 -2.141 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.156 -1.720 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.403 -0.211 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.814 -0.880 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.863 -3.827 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.505 -3.103 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.895 -3.861 -0.647 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.917 0.364 -0.066 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.341 1.649 0.290 1.00 0.00 C ATOM 1328 C ALA A 87 -4.548 2.633 -0.863 1.00 0.00 C ATOM 1329 O ALA A 87 -5.028 3.746 -0.656 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.864 1.467 0.643 1.00 0.00 C ATOM 0 H ALA A 87 -4.323 -0.440 0.136 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.837 2.061 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.432 2.432 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.773 0.783 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.333 1.057 -0.216 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.176 2.187 -2.054 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.314 3.014 -3.240 1.00 0.00 C ATOM 1338 C GLY A 88 -5.772 3.424 -3.455 1.00 0.00 C ATOM 1339 O GLY A 88 -6.118 4.597 -3.316 1.00 0.00 O ATOM 0 H GLY A 88 -3.779 1.263 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.693 3.904 -3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.953 2.469 -4.112 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.589 2.436 -3.790 1.00 0.00 N ATOM 1344 CA PHE A 89 -8.002 2.680 -4.025 1.00 0.00 C ATOM 1345 C PHE A 89 -8.546 3.730 -3.054 1.00 0.00 C ATOM 1346 O PHE A 89 -9.433 4.506 -3.406 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.730 1.356 -3.787 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.667 0.948 -4.925 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.945 1.412 -4.954 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.222 0.120 -5.909 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.815 1.033 -6.011 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.092 -0.259 -6.965 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.370 0.206 -6.994 1.00 0.00 C ATOM 0 H PHE A 89 -6.299 1.465 -3.904 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.152 3.050 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.991 0.569 -3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.306 1.431 -2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.299 2.069 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.207 -0.249 -5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.830 1.402 -6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.739 -0.917 -7.746 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.031 -0.082 -7.798 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.992 3.720 -1.851 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.410 4.662 -0.826 1.00 0.00 C ATOM 1365 C LEU A 90 -7.637 5.971 -0.996 1.00 0.00 C ATOM 1366 O LEU A 90 -8.234 7.044 -1.063 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.268 4.039 0.564 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.419 3.138 1.017 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.119 2.507 2.378 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.745 3.902 1.019 1.00 0.00 C ATOM 0 H LEU A 90 -7.257 3.074 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.468 4.900 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.347 3.457 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.155 4.843 1.291 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.518 2.323 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.953 1.872 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.212 1.906 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.978 3.293 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.546 3.239 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.676 4.750 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.959 4.262 0.013 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.320 5.839 -1.061 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.459 6.998 -1.221 1.00 0.00 C ATOM 1384 C ASP A 91 -5.912 7.800 -2.443 1.00 0.00 C ATOM 1385 O ASP A 91 -5.815 9.026 -2.456 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.005 6.577 -1.445 1.00 0.00 C ATOM 1387 CG ASP A 91 -2.960 7.503 -0.820 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.351 8.336 -1.508 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.778 7.343 0.447 1.00 0.00 O ATOM 0 H ASP A 91 -5.829 4.947 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.526 7.596 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.867 5.574 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.821 6.518 -2.518 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.399 7.074 -3.440 1.00 0.00 N ATOM 1396 CA ALA A 92 -6.867 7.703 -4.663 1.00 0.00 C ATOM 1397 C ALA A 92 -8.169 8.454 -4.378 1.00 0.00 C ATOM 1398 O ALA A 92 -8.412 9.518 -4.946 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.034 6.640 -5.751 1.00 0.00 C ATOM 0 H ALA A 92 -6.479 6.057 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.139 8.429 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.385 7.111 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.076 6.155 -5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.760 5.896 -5.424 1.00 0.00 H new ATOM 1405 N GLU A 93 -8.972 7.872 -3.500 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.242 8.474 -3.133 1.00 0.00 C ATOM 1407 C GLU A 93 -10.018 9.646 -2.176 1.00 0.00 C ATOM 1408 O GLU A 93 -10.848 10.550 -2.091 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.183 7.436 -2.518 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.646 7.801 -2.777 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.585 6.724 -2.228 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.715 7.035 -1.822 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.104 5.527 -2.234 1.00 0.00 O ATOM 0 H GLU A 93 -8.768 6.989 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.716 8.855 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.970 6.453 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.005 7.370 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.874 8.759 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.811 7.921 -3.848 1.00 0.00 H new ATOM 1421 N LEU A 94 -8.892 9.594 -1.480 1.00 0.00 N ATOM 1422 CA LEU A 94 -8.548 10.640 -0.533 1.00 0.00 C ATOM 1423 C LEU A 94 -7.747 11.729 -1.250 1.00 0.00 C ATOM 1424 O LEU A 94 -7.694 12.869 -0.792 1.00 0.00 O ATOM 1425 CB LEU A 94 -7.830 10.048 0.682 1.00 0.00 C ATOM 1426 CG LEU A 94 -8.672 9.143 1.583 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -7.792 8.126 2.314 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.519 9.969 2.553 1.00 0.00 C ATOM 0 H LEU A 94 -8.206 8.843 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.450 11.112 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.971 9.478 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.442 10.869 1.285 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.361 8.580 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.415 7.495 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.270 7.506 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.063 8.652 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.108 9.301 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.866 10.576 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.188 10.620 1.989 1.00 0.00 H new ATOM 1440 N GLY A 95 -7.145 11.339 -2.364 1.00 0.00 N ATOM 1441 CA GLY A 95 -6.349 12.267 -3.149 1.00 0.00 C ATOM 1442 C GLY A 95 -5.097 11.584 -3.703 1.00 0.00 C ATOM 1443 O GLY A 95 -4.266 12.228 -4.341 1.00 0.00 O ATOM 0 H GLY A 95 -7.193 10.393 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.947 12.659 -3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.060 13.117 -2.531 1.00 0.00 H new