USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 73 LYS NZ :NH3+ -169:sc= -0.194 (180deg=-0.31) USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -150:sc= -5.01! USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.197 F(o=-0.84,f=-0.2) USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= -2.3 (180deg=-3.76!) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00196 USER MOD Single : A 41 ASN : amide:sc= -3.49! C(o=-3.5!,f=-9.8!) USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= -0.254 (180deg=-1.66!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 47 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-3.8!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 137:sc= 0.326 USER MOD Single : A 57 GLN : amide:sc= -0.0612 X(o=-0.061,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -4.62! C(o=-4.6!,f=-16!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.464 X(o=-0.46,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.00891 USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.843) USER MOD Single : A 79 THR OG1 : rot 168:sc= -0.493 USER MOD Single : A 80 HIS : no HE2:sc= -1.89! C(o=-1.9!,f=-9.3!) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.301 F(o=-0.87,f=-0.3) USER MOD Single : A 89 GLN : amide:sc= -0.595 K(o=-0.59,f=-2.2!) USER MOD Single : A 95 GLN : amide:sc= -2.75! C(o=-2.7!,f=-3.4!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.383 -6.901 2.784 1.00 0.00 N ATOM 206 CA HIS A 17 5.242 -6.127 3.665 1.00 0.00 C ATOM 207 C HIS A 17 4.600 -4.767 3.943 1.00 0.00 C ATOM 208 O HIS A 17 4.361 -3.989 3.021 1.00 0.00 O ATOM 209 CB HIS A 17 6.652 -6.010 3.083 1.00 0.00 C ATOM 210 CG HIS A 17 7.632 -5.299 3.986 1.00 0.00 C ATOM 211 ND1 HIS A 17 8.215 -5.907 5.084 1.00 0.00 N ATOM 212 CD2 HIS A 17 8.125 -4.029 3.942 1.00 0.00 C ATOM 213 CE1 HIS A 17 9.021 -5.032 5.667 1.00 0.00 C ATOM 214 NE2 HIS A 17 8.963 -3.868 4.958 1.00 0.00 N ATOM 0 HA HIS A 17 5.348 -6.641 4.620 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.030 -7.010 2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.599 -5.479 2.132 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.876 -3.280 3.205 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.619 -5.209 6.549 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.479 -3.015 5.173 1.00 0.00 H new ATOM 222 N VAL A 18 4.339 -4.521 5.219 1.00 0.00 N ATOM 223 CA VAL A 18 3.729 -3.268 5.630 1.00 0.00 C ATOM 224 C VAL A 18 4.781 -2.158 5.593 1.00 0.00 C ATOM 225 O VAL A 18 5.959 -2.405 5.849 1.00 0.00 O ATOM 226 CB VAL A 18 3.078 -3.430 7.005 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.644 -2.075 7.569 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.898 -4.401 6.942 1.00 0.00 C ATOM 0 H VAL A 18 4.539 -5.168 5.981 1.00 0.00 H new ATOM 0 HA VAL A 18 2.934 -2.985 4.940 1.00 0.00 H new ATOM 0 HB VAL A 18 3.822 -3.851 7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.184 -2.218 8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.515 -1.427 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.924 -1.614 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.453 -4.498 7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.151 -4.021 6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.247 -5.377 6.604 1.00 0.00 H new ATOM 238 N THR A 19 4.318 -0.958 5.273 1.00 0.00 N ATOM 239 CA THR A 19 5.205 0.191 5.200 1.00 0.00 C ATOM 240 C THR A 19 4.786 1.253 6.218 1.00 0.00 C ATOM 241 O THR A 19 3.669 1.765 6.163 1.00 0.00 O ATOM 242 CB THR A 19 5.202 0.698 3.757 1.00 0.00 C ATOM 243 OG1 THR A 19 6.581 0.897 3.456 1.00 0.00 O ATOM 244 CG2 THR A 19 4.588 2.093 3.628 1.00 0.00 C ATOM 0 H THR A 19 3.341 -0.757 5.061 1.00 0.00 H new ATOM 0 HA THR A 19 6.227 -0.080 5.463 1.00 0.00 H new ATOM 0 HB THR A 19 4.651 -0.001 3.128 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.672 1.622 2.803 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.611 2.405 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.556 2.070 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.159 2.799 4.230 1.00 0.00 H new ATOM 252 N ILE A 20 5.705 1.553 7.125 1.00 0.00 N ATOM 253 CA ILE A 20 5.446 2.545 8.154 1.00 0.00 C ATOM 254 C ILE A 20 6.431 3.704 7.999 1.00 0.00 C ATOM 255 O ILE A 20 7.621 3.554 8.275 1.00 0.00 O ATOM 256 CB ILE A 20 5.471 1.898 9.540 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.393 0.818 9.661 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.350 2.954 10.641 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.996 1.417 9.490 1.00 0.00 C ATOM 0 H ILE A 20 6.630 1.126 7.168 1.00 0.00 H new ATOM 0 HA ILE A 20 4.445 2.960 8.039 1.00 0.00 H new ATOM 0 HB ILE A 20 6.435 1.407 9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.558 0.049 8.907 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.468 0.332 10.634 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.370 2.467 11.616 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.183 3.654 10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.411 3.495 10.525 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.249 0.629 9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.826 2.169 10.261 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.917 1.881 8.507 1.00 0.00 H new ATOM 271 N LEU A 21 5.901 4.835 7.557 1.00 0.00 N ATOM 272 CA LEU A 21 6.719 6.020 7.362 1.00 0.00 C ATOM 273 C LEU A 21 6.319 7.085 8.384 1.00 0.00 C ATOM 274 O LEU A 21 5.136 7.385 8.543 1.00 0.00 O ATOM 275 CB LEU A 21 6.633 6.497 5.911 1.00 0.00 C ATOM 276 CG LEU A 21 7.459 5.706 4.894 1.00 0.00 C ATOM 277 CD1 LEU A 21 8.915 5.583 5.348 1.00 0.00 C ATOM 278 CD2 LEU A 21 6.828 4.340 4.618 1.00 0.00 C ATOM 0 H LEU A 21 4.914 4.956 7.328 1.00 0.00 H new ATOM 0 HA LEU A 21 7.770 5.790 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.588 6.468 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.948 7.540 5.873 1.00 0.00 H new ATOM 0 HG LEU A 21 7.460 6.256 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.480 5.017 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.349 6.577 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.955 5.067 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.435 3.799 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.776 3.769 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.823 4.477 4.220 1.00 0.00 H new ATOM 290 N HIS A 22 7.327 7.628 9.051 1.00 0.00 N ATOM 291 CA HIS A 22 7.094 8.654 10.054 1.00 0.00 C ATOM 292 C HIS A 22 7.406 10.030 9.462 1.00 0.00 C ATOM 293 O HIS A 22 8.568 10.421 9.369 1.00 0.00 O ATOM 294 CB HIS A 22 7.893 8.361 11.326 1.00 0.00 C ATOM 295 CG HIS A 22 7.980 6.893 11.672 1.00 0.00 C ATOM 296 ND1 HIS A 22 8.978 5.987 11.465 1.00 0.00 N flip ATOM 297 CD2 HIS A 22 6.957 6.211 12.306 1.00 0.00 C flip ATOM 298 CE1 HIS A 22 8.586 4.814 11.948 1.00 0.00 C flip ATOM 299 NE2 HIS A 22 7.333 4.951 12.469 1.00 0.00 N flip ATOM 0 H HIS A 22 8.307 7.377 8.917 1.00 0.00 H new ATOM 0 HA HIS A 22 6.044 8.652 10.345 1.00 0.00 H new ATOM 0 HB2 HIS A 22 8.902 8.757 11.208 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.437 8.894 12.160 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.013 6.634 12.615 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.164 3.902 11.931 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.782 4.213 12.907 1.00 0.00 H new ATOM 307 N LYS A 23 6.346 10.726 9.078 1.00 0.00 N ATOM 308 CA LYS A 23 6.492 12.051 8.497 1.00 0.00 C ATOM 309 C LYS A 23 5.845 13.082 9.424 1.00 0.00 C ATOM 310 O LYS A 23 5.314 12.731 10.476 1.00 0.00 O ATOM 311 CB LYS A 23 5.940 12.074 7.071 1.00 0.00 C ATOM 312 CG LYS A 23 4.411 12.034 7.073 1.00 0.00 C ATOM 313 CD LYS A 23 3.889 10.927 6.155 1.00 0.00 C ATOM 314 CE LYS A 23 2.360 10.894 6.149 1.00 0.00 C ATOM 315 NZ LYS A 23 1.818 12.101 5.487 1.00 0.00 N ATOM 0 H LYS A 23 5.383 10.398 9.157 1.00 0.00 H new ATOM 0 HA LYS A 23 7.546 12.316 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.283 12.973 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.329 11.222 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.050 11.870 8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.018 12.997 6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.257 11.087 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.276 9.963 6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.012 10.001 5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.988 10.835 7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.910 12.359 5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.490 12.887 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.672 11.906 4.476 1.00 0.00 H new ATOM 329 N GLU A 24 5.911 14.336 8.999 1.00 0.00 N ATOM 330 CA GLU A 24 5.338 15.421 9.777 1.00 0.00 C ATOM 331 C GLU A 24 3.945 15.773 9.252 1.00 0.00 C ATOM 332 O GLU A 24 3.596 15.424 8.125 1.00 0.00 O ATOM 333 CB GLU A 24 6.254 16.646 9.766 1.00 0.00 C ATOM 334 CG GLU A 24 7.469 16.432 10.672 1.00 0.00 C ATOM 335 CD GLU A 24 7.901 17.744 11.330 1.00 0.00 C ATOM 336 OE1 GLU A 24 7.086 18.283 12.109 1.00 0.00 O ATOM 337 OE2 GLU A 24 9.036 18.177 11.039 1.00 0.00 O ATOM 0 H GLU A 24 6.353 14.624 8.126 1.00 0.00 H new ATOM 0 HA GLU A 24 5.242 15.089 10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.586 16.846 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.698 17.523 10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.229 15.697 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.295 16.025 10.089 1.00 0.00 H new ATOM 344 N GLU A 25 3.186 16.459 10.094 1.00 0.00 N ATOM 345 CA GLU A 25 1.839 16.862 9.729 1.00 0.00 C ATOM 346 C GLU A 25 1.815 17.398 8.296 1.00 0.00 C ATOM 347 O GLU A 25 2.499 18.371 7.982 1.00 0.00 O ATOM 348 CB GLU A 25 1.292 17.900 10.711 1.00 0.00 C ATOM 349 CG GLU A 25 0.158 17.313 11.554 1.00 0.00 C ATOM 350 CD GLU A 25 -0.871 16.603 10.671 1.00 0.00 C ATOM 351 OE1 GLU A 25 -1.099 17.106 9.550 1.00 0.00 O ATOM 352 OE2 GLU A 25 -1.405 15.573 11.137 1.00 0.00 O ATOM 0 H GLU A 25 3.479 16.746 11.028 1.00 0.00 H new ATOM 0 HA GLU A 25 1.193 15.986 9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.093 18.246 11.364 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.930 18.769 10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.566 16.610 12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.329 18.108 12.119 1.00 0.00 H new ATOM 359 N GLY A 26 1.021 16.739 7.465 1.00 0.00 N ATOM 360 CA GLY A 26 0.899 17.137 6.073 1.00 0.00 C ATOM 361 C GLY A 26 2.274 17.249 5.412 1.00 0.00 C ATOM 362 O GLY A 26 2.491 18.112 4.563 1.00 0.00 O ATOM 0 H GLY A 26 0.456 15.932 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.291 16.409 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.382 18.094 6.009 1.00 0.00 H new ATOM 366 N ALA A 27 3.168 16.363 5.827 1.00 0.00 N ATOM 367 CA ALA A 27 4.517 16.351 5.286 1.00 0.00 C ATOM 368 C ALA A 27 4.504 15.681 3.910 1.00 0.00 C ATOM 369 O ALA A 27 5.277 16.051 3.028 1.00 0.00 O ATOM 370 CB ALA A 27 5.455 15.649 6.268 1.00 0.00 C ATOM 0 H ALA A 27 2.985 15.648 6.531 1.00 0.00 H new ATOM 0 HA ALA A 27 4.887 17.368 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.466 15.640 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.450 16.181 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.118 14.624 6.424 1.00 0.00 H new ATOM 376 N GLY A 28 3.618 14.705 3.771 1.00 0.00 N ATOM 377 CA GLY A 28 3.495 13.980 2.518 1.00 0.00 C ATOM 378 C GLY A 28 4.207 12.628 2.596 1.00 0.00 C ATOM 379 O GLY A 28 4.977 12.380 3.523 1.00 0.00 O ATOM 0 H GLY A 28 2.979 14.400 4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.441 13.827 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.919 14.573 1.707 1.00 0.00 H new ATOM 383 N LEU A 29 3.926 11.789 1.609 1.00 0.00 N ATOM 384 CA LEU A 29 4.530 10.469 1.554 1.00 0.00 C ATOM 385 C LEU A 29 5.788 10.525 0.684 1.00 0.00 C ATOM 386 O LEU A 29 6.839 10.018 1.074 1.00 0.00 O ATOM 387 CB LEU A 29 3.507 9.431 1.089 1.00 0.00 C ATOM 388 CG LEU A 29 2.102 9.561 1.682 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.120 8.625 0.975 1.00 0.00 C ATOM 390 CD2 LEU A 29 2.123 9.334 3.195 1.00 0.00 C ATOM 0 H LEU A 29 3.288 11.998 0.841 1.00 0.00 H new ATOM 0 HA LEU A 29 4.843 10.151 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.428 9.489 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.891 8.439 1.329 1.00 0.00 H new ATOM 0 HG LEU A 29 1.753 10.580 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.129 8.737 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.077 8.876 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.454 7.594 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.112 9.432 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.501 8.334 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.771 10.074 3.665 1.00 0.00 H new ATOM 402 N GLY A 30 5.639 11.145 -0.477 1.00 0.00 N ATOM 403 CA GLY A 30 6.750 11.273 -1.405 1.00 0.00 C ATOM 404 C GLY A 30 6.435 10.587 -2.735 1.00 0.00 C ATOM 405 O GLY A 30 7.174 10.740 -3.707 1.00 0.00 O ATOM 0 H GLY A 30 4.766 11.564 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.965 12.328 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.646 10.833 -0.968 1.00 0.00 H new ATOM 409 N PHE A 31 5.337 9.844 -2.736 1.00 0.00 N ATOM 410 CA PHE A 31 4.916 9.134 -3.932 1.00 0.00 C ATOM 411 C PHE A 31 3.458 9.449 -4.272 1.00 0.00 C ATOM 412 O PHE A 31 2.750 10.064 -3.475 1.00 0.00 O ATOM 413 CB PHE A 31 5.045 7.639 -3.632 1.00 0.00 C ATOM 414 CG PHE A 31 3.903 7.073 -2.786 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.867 7.309 -1.447 1.00 0.00 C ATOM 416 CD2 PHE A 31 2.925 6.333 -3.373 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.807 6.783 -0.662 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.865 5.807 -2.587 1.00 0.00 C ATOM 419 CZ PHE A 31 1.828 6.044 -1.248 1.00 0.00 C ATOM 0 H PHE A 31 4.727 9.719 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 31 5.532 9.434 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.091 7.093 -4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.988 7.463 -3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.644 7.896 -0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.954 6.145 -4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.779 6.970 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.088 5.219 -3.053 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.021 5.645 -0.651 1.00 0.00 H new ATOM 429 N SER A 32 3.052 9.014 -5.456 1.00 0.00 N ATOM 430 CA SER A 32 1.692 9.242 -5.911 1.00 0.00 C ATOM 431 C SER A 32 1.053 7.919 -6.337 1.00 0.00 C ATOM 432 O SER A 32 1.724 6.888 -6.382 1.00 0.00 O ATOM 433 CB SER A 32 1.658 10.244 -7.067 1.00 0.00 C ATOM 434 OG SER A 32 2.631 11.274 -6.909 1.00 0.00 O ATOM 0 H SER A 32 3.642 8.505 -6.114 1.00 0.00 H new ATOM 0 HA SER A 32 1.122 9.664 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.834 9.720 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.665 10.690 -7.132 1.00 0.00 H new ATOM 0 HG SER A 32 2.579 11.892 -7.667 1.00 0.00 H new ATOM 440 N LEU A 33 -0.235 7.990 -6.640 1.00 0.00 N ATOM 441 CA LEU A 33 -0.971 6.810 -7.061 1.00 0.00 C ATOM 442 C LEU A 33 -1.048 6.781 -8.589 1.00 0.00 C ATOM 443 O LEU A 33 -0.840 7.801 -9.244 1.00 0.00 O ATOM 444 CB LEU A 33 -2.337 6.758 -6.375 1.00 0.00 C ATOM 445 CG LEU A 33 -2.325 6.847 -4.848 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.580 6.207 -4.251 1.00 0.00 C ATOM 447 CD2 LEU A 33 -1.043 6.239 -4.273 1.00 0.00 C ATOM 0 H LEU A 33 -0.788 8.846 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.450 5.904 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.947 7.574 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.830 5.829 -6.661 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.336 7.900 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.546 6.284 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.464 6.724 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.625 5.157 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.060 6.315 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.976 5.190 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.179 6.778 -4.661 1.00 0.00 H new ATOM 459 N ALA A 34 -1.348 5.601 -9.112 1.00 0.00 N ATOM 460 CA ALA A 34 -1.455 5.426 -10.550 1.00 0.00 C ATOM 461 C ALA A 34 -2.756 4.688 -10.874 1.00 0.00 C ATOM 462 O ALA A 34 -3.249 3.906 -10.062 1.00 0.00 O ATOM 463 CB ALA A 34 -0.221 4.685 -11.068 1.00 0.00 C ATOM 0 H ALA A 34 -1.520 4.757 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.490 6.393 -11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.302 4.554 -12.147 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.674 5.264 -10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.155 3.709 -10.588 1.00 0.00 H new ATOM 469 N GLY A 35 -3.275 4.963 -12.062 1.00 0.00 N ATOM 470 CA GLY A 35 -4.509 4.335 -12.503 1.00 0.00 C ATOM 471 C GLY A 35 -5.620 4.522 -11.468 1.00 0.00 C ATOM 472 O GLY A 35 -5.512 5.371 -10.583 1.00 0.00 O ATOM 0 H GLY A 35 -2.863 5.612 -12.733 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.819 4.764 -13.456 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.340 3.272 -12.672 1.00 0.00 H new ATOM 476 N GLY A 36 -6.661 3.716 -11.612 1.00 0.00 N ATOM 477 CA GLY A 36 -7.791 3.782 -10.700 1.00 0.00 C ATOM 478 C GLY A 36 -8.622 2.499 -10.764 1.00 0.00 C ATOM 479 O GLY A 36 -8.073 1.405 -10.883 1.00 0.00 O ATOM 0 H GLY A 36 -6.746 3.013 -12.347 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.433 3.937 -9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.417 4.638 -10.952 1.00 0.00 H new ATOM 483 N ALA A 37 -9.932 2.677 -10.680 1.00 0.00 N ATOM 484 CA ALA A 37 -10.845 1.547 -10.727 1.00 0.00 C ATOM 485 C ALA A 37 -11.460 1.450 -12.124 1.00 0.00 C ATOM 486 O ALA A 37 -11.409 0.397 -12.758 1.00 0.00 O ATOM 487 CB ALA A 37 -11.904 1.700 -9.633 1.00 0.00 C ATOM 0 H ALA A 37 -10.383 3.586 -10.580 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.312 0.616 -10.537 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.589 0.853 -9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.418 1.733 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.461 2.623 -9.792 1.00 0.00 H new ATOM 493 N ASP A 38 -12.028 2.564 -12.564 1.00 0.00 N ATOM 494 CA ASP A 38 -12.652 2.618 -13.875 1.00 0.00 C ATOM 495 C ASP A 38 -11.571 2.802 -14.942 1.00 0.00 C ATOM 496 O ASP A 38 -11.834 2.634 -16.132 1.00 0.00 O ATOM 497 CB ASP A 38 -13.621 3.798 -13.975 1.00 0.00 C ATOM 498 CG ASP A 38 -14.634 3.707 -15.118 1.00 0.00 C ATOM 499 OD1 ASP A 38 -15.573 2.893 -14.982 1.00 0.00 O ATOM 500 OD2 ASP A 38 -14.447 4.454 -16.103 1.00 0.00 O ATOM 0 H ASP A 38 -12.069 3.436 -12.036 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.199 1.688 -14.027 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.164 3.883 -13.034 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.043 4.714 -14.094 1.00 0.00 H new ATOM 505 N LEU A 39 -10.379 3.145 -14.478 1.00 0.00 N ATOM 506 CA LEU A 39 -9.257 3.354 -15.379 1.00 0.00 C ATOM 507 C LEU A 39 -8.869 2.020 -16.020 1.00 0.00 C ATOM 508 O LEU A 39 -9.474 0.989 -15.731 1.00 0.00 O ATOM 509 CB LEU A 39 -8.104 4.044 -14.647 1.00 0.00 C ATOM 510 CG LEU A 39 -8.180 5.570 -14.564 1.00 0.00 C ATOM 511 CD1 LEU A 39 -9.266 6.013 -13.583 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.815 6.168 -14.217 1.00 0.00 C ATOM 0 H LEU A 39 -10.165 3.284 -13.490 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.538 4.027 -16.189 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.054 3.647 -13.633 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.171 3.773 -15.142 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.459 5.952 -15.546 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.298 7.102 -13.543 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.232 5.633 -13.914 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.042 5.620 -12.591 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.896 7.254 -14.164 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.483 5.782 -13.253 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.092 5.895 -14.986 1.00 0.00 H new ATOM 524 N GLU A 40 -7.861 2.084 -16.878 1.00 0.00 N ATOM 525 CA GLU A 40 -7.384 0.895 -17.562 1.00 0.00 C ATOM 526 C GLU A 40 -7.162 -0.241 -16.561 1.00 0.00 C ATOM 527 O GLU A 40 -7.381 -1.408 -16.881 1.00 0.00 O ATOM 528 CB GLU A 40 -6.106 1.190 -18.349 1.00 0.00 C ATOM 529 CG GLU A 40 -6.420 1.939 -19.645 1.00 0.00 C ATOM 530 CD GLU A 40 -5.709 1.294 -20.837 1.00 0.00 C ATOM 531 OE1 GLU A 40 -4.462 1.234 -20.789 1.00 0.00 O ATOM 532 OE2 GLU A 40 -6.429 0.877 -21.770 1.00 0.00 O ATOM 0 H GLU A 40 -7.362 2.941 -17.115 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.146 0.580 -18.275 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.427 1.784 -17.737 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.593 0.256 -18.580 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.496 1.941 -19.817 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.110 2.980 -19.552 1.00 0.00 H new ATOM 539 N ASN A 41 -6.730 0.141 -15.368 1.00 0.00 N ATOM 540 CA ASN A 41 -6.475 -0.830 -14.317 1.00 0.00 C ATOM 541 C ASN A 41 -7.534 -0.680 -13.223 1.00 0.00 C ATOM 542 O ASN A 41 -8.324 0.262 -13.244 1.00 0.00 O ATOM 543 CB ASN A 41 -5.102 -0.606 -13.681 1.00 0.00 C ATOM 544 CG ASN A 41 -4.857 0.881 -13.415 1.00 0.00 C ATOM 545 OD1 ASN A 41 -5.205 1.418 -12.377 1.00 0.00 O ATOM 546 ND2 ASN A 41 -4.240 1.513 -14.409 1.00 0.00 N ATOM 0 H ASN A 41 -6.550 1.110 -15.106 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.508 -1.825 -14.761 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.035 -1.162 -12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.325 -0.994 -14.339 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.031 2.508 -14.329 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.976 1.003 -15.252 1.00 0.00 H new ATOM 553 N LYS A 42 -7.516 -1.624 -12.293 1.00 0.00 N ATOM 554 CA LYS A 42 -8.464 -1.609 -11.193 1.00 0.00 C ATOM 555 C LYS A 42 -7.713 -1.372 -9.881 1.00 0.00 C ATOM 556 O LYS A 42 -8.146 -0.577 -9.049 1.00 0.00 O ATOM 557 CB LYS A 42 -9.309 -2.884 -11.196 1.00 0.00 C ATOM 558 CG LYS A 42 -10.358 -2.850 -10.083 1.00 0.00 C ATOM 559 CD LYS A 42 -11.231 -1.598 -10.190 1.00 0.00 C ATOM 560 CE LYS A 42 -12.711 -1.945 -10.016 1.00 0.00 C ATOM 561 NZ LYS A 42 -12.883 -2.965 -8.957 1.00 0.00 N ATOM 0 H LYS A 42 -6.859 -2.404 -12.279 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.170 -0.787 -11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.802 -2.995 -12.162 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.663 -3.753 -11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.984 -3.740 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.864 -2.871 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.932 -0.876 -9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.076 -1.124 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.273 -1.047 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.117 -2.317 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.792 -2.815 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.869 -3.914 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.108 -2.884 -8.268 1.00 0.00 H new ATOM 575 N VAL A 43 -6.601 -2.078 -9.738 1.00 0.00 N ATOM 576 CA VAL A 43 -5.785 -1.954 -8.541 1.00 0.00 C ATOM 577 C VAL A 43 -4.789 -0.808 -8.725 1.00 0.00 C ATOM 578 O VAL A 43 -3.953 -0.846 -9.626 1.00 0.00 O ATOM 579 CB VAL A 43 -5.109 -3.291 -8.229 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.156 -3.699 -9.355 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.379 -3.235 -6.886 1.00 0.00 C ATOM 0 H VAL A 43 -6.246 -2.737 -10.430 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.405 -1.710 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.887 -4.051 -8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.689 -4.652 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.714 -3.798 -10.286 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.386 -2.937 -9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.907 -4.197 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.616 -2.457 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.093 -3.011 -6.093 1.00 0.00 H new ATOM 591 N ILE A 44 -4.910 0.184 -7.855 1.00 0.00 N ATOM 592 CA ILE A 44 -4.030 1.339 -7.909 1.00 0.00 C ATOM 593 C ILE A 44 -2.581 0.879 -7.737 1.00 0.00 C ATOM 594 O ILE A 44 -2.322 -0.150 -7.116 1.00 0.00 O ATOM 595 CB ILE A 44 -4.466 2.393 -6.890 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.643 3.215 -7.420 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.288 3.278 -6.478 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.900 2.353 -7.548 1.00 0.00 C ATOM 0 H ILE A 44 -5.604 0.212 -7.108 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.097 1.824 -8.883 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.811 1.878 -5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.838 4.052 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.387 3.638 -8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.625 4.019 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.509 2.661 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.890 3.786 -7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.721 2.961 -7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.709 1.531 -8.238 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.167 1.951 -6.571 1.00 0.00 H new ATOM 610 N THR A 45 -1.674 1.665 -8.298 1.00 0.00 N ATOM 611 CA THR A 45 -0.258 1.352 -8.215 1.00 0.00 C ATOM 612 C THR A 45 0.558 2.626 -7.986 1.00 0.00 C ATOM 613 O THR A 45 0.035 3.733 -8.111 1.00 0.00 O ATOM 614 CB THR A 45 0.136 0.599 -9.487 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.631 1.225 -10.512 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.357 -0.850 -9.485 1.00 0.00 C ATOM 0 H THR A 45 -1.893 2.518 -8.812 1.00 0.00 H new ATOM 0 HA THR A 45 -0.045 0.709 -7.361 1.00 0.00 H new ATOM 0 HB THR A 45 1.220 0.614 -9.597 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.436 0.799 -11.373 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.051 -1.340 -10.410 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.073 -1.379 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.444 -0.864 -9.409 1.00 0.00 H new ATOM 624 N VAL A 46 1.825 2.428 -7.655 1.00 0.00 N ATOM 625 CA VAL A 46 2.718 3.547 -7.408 1.00 0.00 C ATOM 626 C VAL A 46 3.124 4.175 -8.743 1.00 0.00 C ATOM 627 O VAL A 46 4.055 3.706 -9.396 1.00 0.00 O ATOM 628 CB VAL A 46 3.916 3.087 -6.576 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.798 4.273 -6.181 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.459 2.309 -5.340 1.00 0.00 C ATOM 0 H VAL A 46 2.255 1.509 -7.552 1.00 0.00 H new ATOM 0 HA VAL A 46 2.212 4.318 -6.827 1.00 0.00 H new ATOM 0 HB VAL A 46 4.514 2.416 -7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.642 3.918 -5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.167 4.768 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.214 4.980 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.330 1.993 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.828 2.947 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.892 1.431 -5.651 1.00 0.00 H new ATOM 640 N HIS A 47 2.404 5.226 -9.110 1.00 0.00 N ATOM 641 CA HIS A 47 2.678 5.922 -10.355 1.00 0.00 C ATOM 642 C HIS A 47 4.151 6.331 -10.402 1.00 0.00 C ATOM 643 O HIS A 47 4.874 5.956 -11.324 1.00 0.00 O ATOM 644 CB HIS A 47 1.728 7.108 -10.534 1.00 0.00 C ATOM 645 CG HIS A 47 1.821 7.771 -11.888 1.00 0.00 C ATOM 646 ND1 HIS A 47 0.757 8.437 -12.471 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.861 7.864 -12.765 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.150 8.904 -13.647 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.454 8.548 -13.827 1.00 0.00 N ATOM 0 H HIS A 47 1.632 5.612 -8.567 1.00 0.00 H new ATOM 0 HA HIS A 47 2.496 5.254 -11.197 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.705 6.767 -10.377 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.939 7.849 -9.763 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -0.172 8.549 -12.064 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.848 7.451 -12.620 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.544 9.468 -14.341 1.00 0.00 H new ATOM 657 N ARG A 48 4.553 7.093 -9.396 1.00 0.00 N ATOM 658 CA ARG A 48 5.928 7.556 -9.310 1.00 0.00 C ATOM 659 C ARG A 48 6.317 7.798 -7.851 1.00 0.00 C ATOM 660 O ARG A 48 5.451 7.975 -6.995 1.00 0.00 O ATOM 661 CB ARG A 48 6.123 8.850 -10.104 1.00 0.00 C ATOM 662 CG ARG A 48 7.008 8.614 -11.329 1.00 0.00 C ATOM 663 CD ARG A 48 6.163 8.458 -12.594 1.00 0.00 C ATOM 664 NE ARG A 48 6.939 8.890 -13.778 1.00 0.00 N ATOM 665 CZ ARG A 48 6.403 9.121 -14.984 1.00 0.00 C ATOM 666 NH1 ARG A 48 5.086 8.962 -15.174 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.184 9.510 -16.001 1.00 0.00 N ATOM 0 H ARG A 48 3.951 7.402 -8.633 1.00 0.00 H new ATOM 0 HA ARG A 48 6.566 6.781 -9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.154 9.236 -10.420 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.575 9.608 -9.465 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.699 9.449 -11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.612 7.719 -11.179 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.856 7.419 -12.710 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.253 9.052 -12.509 1.00 0.00 H new ATOM 0 HE ARG A 48 7.945 9.020 -13.669 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.491 8.665 -14.400 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.678 9.138 -16.092 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.187 9.630 -15.857 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.776 9.686 -16.919 1.00 0.00 H new ATOM 681 N VAL A 49 7.620 7.796 -7.611 1.00 0.00 N ATOM 682 CA VAL A 49 8.135 8.012 -6.269 1.00 0.00 C ATOM 683 C VAL A 49 9.131 9.173 -6.291 1.00 0.00 C ATOM 684 O VAL A 49 10.300 8.986 -6.624 1.00 0.00 O ATOM 685 CB VAL A 49 8.739 6.716 -5.725 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.069 6.848 -4.237 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.807 5.529 -5.977 1.00 0.00 C ATOM 0 H VAL A 49 8.335 7.648 -8.323 1.00 0.00 H new ATOM 0 HA VAL A 49 7.328 8.288 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 49 9.670 6.530 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.497 5.913 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.787 7.655 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.158 7.070 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.260 4.620 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.852 5.704 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.644 5.416 -7.049 1.00 0.00 H new ATOM 697 N PHE A 50 8.631 10.347 -5.931 1.00 0.00 N ATOM 698 CA PHE A 50 9.463 11.538 -5.905 1.00 0.00 C ATOM 699 C PHE A 50 10.875 11.210 -5.414 1.00 0.00 C ATOM 700 O PHE A 50 11.067 10.265 -4.651 1.00 0.00 O ATOM 701 CB PHE A 50 8.811 12.518 -4.928 1.00 0.00 C ATOM 702 CG PHE A 50 7.344 12.824 -5.240 1.00 0.00 C ATOM 703 CD1 PHE A 50 6.811 12.453 -6.435 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.574 13.467 -4.322 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.451 12.736 -6.724 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.213 13.751 -4.611 1.00 0.00 C ATOM 707 CZ PHE A 50 4.680 13.379 -5.806 1.00 0.00 C ATOM 0 H PHE A 50 7.661 10.498 -5.655 1.00 0.00 H new ATOM 0 HA PHE A 50 9.544 11.957 -6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.880 12.110 -3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.375 13.451 -4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.423 11.943 -7.164 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.997 13.762 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.028 12.441 -7.673 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.601 14.262 -3.882 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.645 13.594 -6.026 1.00 0.00 H new ATOM 717 N PRO A 51 11.852 12.032 -5.884 1.00 0.00 N ATOM 718 CA PRO A 51 13.240 11.839 -5.500 1.00 0.00 C ATOM 719 C PRO A 51 13.484 12.312 -4.066 1.00 0.00 C ATOM 720 O PRO A 51 14.396 11.831 -3.396 1.00 0.00 O ATOM 721 CB PRO A 51 14.044 12.619 -6.528 1.00 0.00 C ATOM 722 CG PRO A 51 13.069 13.594 -7.167 1.00 0.00 C ATOM 723 CD PRO A 51 11.661 13.161 -6.788 1.00 0.00 C ATOM 0 HA PRO A 51 13.533 10.789 -5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.872 13.148 -6.057 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.475 11.952 -7.275 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.262 14.609 -6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.188 13.598 -8.250 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.115 13.970 -6.302 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.085 12.871 -7.667 1.00 0.00 H new ATOM 731 N ASN A 52 12.651 13.249 -3.637 1.00 0.00 N ATOM 732 CA ASN A 52 12.765 13.793 -2.294 1.00 0.00 C ATOM 733 C ASN A 52 11.495 13.463 -1.506 1.00 0.00 C ATOM 734 O ASN A 52 10.564 14.266 -1.459 1.00 0.00 O ATOM 735 CB ASN A 52 12.919 15.314 -2.327 1.00 0.00 C ATOM 736 CG ASN A 52 14.332 15.731 -1.913 1.00 0.00 C ATOM 737 OD1 ASN A 52 14.715 15.659 -0.757 1.00 0.00 O ATOM 738 ND2 ASN A 52 15.083 16.171 -2.919 1.00 0.00 N ATOM 0 H ASN A 52 11.895 13.645 -4.195 1.00 0.00 H new ATOM 0 HA ASN A 52 13.645 13.352 -1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.706 15.683 -3.330 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.190 15.772 -1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.041 16.474 -2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.700 16.206 -3.864 1.00 0.00 H new ATOM 745 N GLY A 53 11.499 12.282 -0.907 1.00 0.00 N ATOM 746 CA GLY A 53 10.359 11.837 -0.123 1.00 0.00 C ATOM 747 C GLY A 53 10.756 10.707 0.829 1.00 0.00 C ATOM 748 O GLY A 53 11.940 10.422 1.001 1.00 0.00 O ATOM 0 H GLY A 53 12.273 11.619 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.957 12.674 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.566 11.495 -0.789 1.00 0.00 H new ATOM 752 N LEU A 54 9.743 10.093 1.423 1.00 0.00 N ATOM 753 CA LEU A 54 9.971 9.001 2.353 1.00 0.00 C ATOM 754 C LEU A 54 9.934 7.673 1.594 1.00 0.00 C ATOM 755 O LEU A 54 10.879 6.888 1.662 1.00 0.00 O ATOM 756 CB LEU A 54 8.979 9.072 3.516 1.00 0.00 C ATOM 757 CG LEU A 54 8.673 10.471 4.053 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.176 10.642 4.318 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.514 10.779 5.294 1.00 0.00 C ATOM 0 H LEU A 54 8.762 10.332 1.278 1.00 0.00 H new ATOM 0 HA LEU A 54 10.961 9.084 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.043 8.614 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.367 8.467 4.335 1.00 0.00 H new ATOM 0 HG LEU A 54 8.949 11.197 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.986 11.645 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.623 10.496 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.850 9.907 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.277 11.780 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.293 10.050 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.572 10.727 5.038 1.00 0.00 H new ATOM 771 N ALA A 55 8.833 7.463 0.887 1.00 0.00 N ATOM 772 CA ALA A 55 8.661 6.244 0.115 1.00 0.00 C ATOM 773 C ALA A 55 9.967 5.918 -0.613 1.00 0.00 C ATOM 774 O ALA A 55 10.313 4.749 -0.779 1.00 0.00 O ATOM 775 CB ALA A 55 7.484 6.412 -0.848 1.00 0.00 C ATOM 0 H ALA A 55 8.052 8.116 0.833 1.00 0.00 H new ATOM 0 HA ALA A 55 8.430 5.404 0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.355 5.498 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.575 6.614 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.682 7.244 -1.523 1.00 0.00 H new ATOM 781 N SER A 56 10.656 6.971 -1.027 1.00 0.00 N ATOM 782 CA SER A 56 11.916 6.810 -1.732 1.00 0.00 C ATOM 783 C SER A 56 13.023 6.432 -0.747 1.00 0.00 C ATOM 784 O SER A 56 13.798 5.511 -1.002 1.00 0.00 O ATOM 785 CB SER A 56 12.291 8.088 -2.487 1.00 0.00 C ATOM 786 OG SER A 56 12.598 7.829 -3.854 1.00 0.00 O ATOM 0 H SER A 56 10.366 7.939 -0.888 1.00 0.00 H new ATOM 0 HA SER A 56 11.800 6.009 -2.462 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.467 8.799 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.150 8.555 -2.005 1.00 0.00 H new ATOM 0 HG SER A 56 12.181 8.513 -4.418 1.00 0.00 H new ATOM 792 N GLN A 57 13.063 7.161 0.358 1.00 0.00 N ATOM 793 CA GLN A 57 14.062 6.913 1.383 1.00 0.00 C ATOM 794 C GLN A 57 14.015 5.450 1.828 1.00 0.00 C ATOM 795 O GLN A 57 15.047 4.784 1.896 1.00 0.00 O ATOM 796 CB GLN A 57 13.872 7.854 2.574 1.00 0.00 C ATOM 797 CG GLN A 57 14.655 9.154 2.377 1.00 0.00 C ATOM 798 CD GLN A 57 15.326 9.592 3.681 1.00 0.00 C ATOM 799 OE1 GLN A 57 15.008 10.619 4.258 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.270 8.760 4.110 1.00 0.00 N ATOM 0 H GLN A 57 12.419 7.924 0.566 1.00 0.00 H new ATOM 0 HA GLN A 57 15.046 7.112 0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.813 8.079 2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.203 7.361 3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.411 9.014 1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.983 9.938 2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.487 7.917 3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.778 8.965 4.971 1.00 0.00 H new ATOM 809 N GLU A 58 12.806 4.992 2.119 1.00 0.00 N ATOM 810 CA GLU A 58 12.611 3.620 2.555 1.00 0.00 C ATOM 811 C GLU A 58 12.925 2.650 1.414 1.00 0.00 C ATOM 812 O GLU A 58 13.778 1.775 1.555 1.00 0.00 O ATOM 813 CB GLU A 58 11.189 3.408 3.078 1.00 0.00 C ATOM 814 CG GLU A 58 11.147 2.280 4.111 1.00 0.00 C ATOM 815 CD GLU A 58 11.685 2.755 5.463 1.00 0.00 C ATOM 816 OE1 GLU A 58 12.919 2.936 5.551 1.00 0.00 O ATOM 817 OE2 GLU A 58 10.851 2.925 6.378 1.00 0.00 O ATOM 0 H GLU A 58 11.952 5.547 2.061 1.00 0.00 H new ATOM 0 HA GLU A 58 13.299 3.419 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.821 4.331 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.524 3.170 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.123 1.926 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.738 1.435 3.757 1.00 0.00 H new ATOM 824 N GLY A 59 12.219 2.839 0.308 1.00 0.00 N ATOM 825 CA GLY A 59 12.412 1.992 -0.856 1.00 0.00 C ATOM 826 C GLY A 59 11.367 0.876 -0.902 1.00 0.00 C ATOM 827 O GLY A 59 11.430 -0.004 -1.759 1.00 0.00 O ATOM 0 H GLY A 59 11.513 3.566 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.347 2.594 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.412 1.558 -0.833 1.00 0.00 H new ATOM 831 N THR A 60 10.429 0.948 0.032 1.00 0.00 N ATOM 832 CA THR A 60 9.372 -0.045 0.109 1.00 0.00 C ATOM 833 C THR A 60 8.350 0.176 -1.008 1.00 0.00 C ATOM 834 O THR A 60 7.958 -0.768 -1.692 1.00 0.00 O ATOM 835 CB THR A 60 8.764 0.020 1.511 1.00 0.00 C ATOM 836 OG1 THR A 60 9.656 -0.750 2.313 1.00 0.00 O ATOM 837 CG2 THR A 60 7.434 -0.731 1.608 1.00 0.00 C ATOM 0 H THR A 60 10.380 1.679 0.742 1.00 0.00 H new ATOM 0 HA THR A 60 9.762 -1.051 -0.045 1.00 0.00 H new ATOM 0 HB THR A 60 8.614 1.062 1.793 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.338 -0.759 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.046 -0.653 2.623 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.718 -0.295 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.590 -1.781 1.358 1.00 0.00 H new ATOM 845 N ILE A 61 7.947 1.430 -1.157 1.00 0.00 N ATOM 846 CA ILE A 61 6.978 1.787 -2.179 1.00 0.00 C ATOM 847 C ILE A 61 7.714 2.304 -3.416 1.00 0.00 C ATOM 848 O ILE A 61 8.098 3.471 -3.472 1.00 0.00 O ATOM 849 CB ILE A 61 5.949 2.772 -1.620 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.500 2.359 -0.217 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.765 2.930 -2.577 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.696 3.475 0.452 1.00 0.00 C ATOM 0 H ILE A 61 8.274 2.210 -0.587 1.00 0.00 H new ATOM 0 HA ILE A 61 6.411 0.909 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 61 6.425 3.749 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.894 1.455 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.372 2.119 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.048 3.635 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.121 3.304 -3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.282 1.964 -2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.389 3.156 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.313 4.370 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.812 3.696 -0.147 1.00 0.00 H new ATOM 864 N GLN A 62 7.890 1.409 -4.378 1.00 0.00 N ATOM 865 CA GLN A 62 8.574 1.760 -5.611 1.00 0.00 C ATOM 866 C GLN A 62 7.576 1.836 -6.769 1.00 0.00 C ATOM 867 O GLN A 62 6.627 1.056 -6.826 1.00 0.00 O ATOM 868 CB GLN A 62 9.695 0.766 -5.918 1.00 0.00 C ATOM 869 CG GLN A 62 10.893 0.987 -4.991 1.00 0.00 C ATOM 870 CD GLN A 62 11.856 -0.201 -5.047 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.871 -0.178 -5.724 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.483 -1.236 -4.301 1.00 0.00 N ATOM 0 H GLN A 62 7.571 0.442 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 62 9.029 2.742 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.324 -0.253 -5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.009 0.875 -6.956 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.417 1.898 -5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.544 1.129 -3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.621 -1.189 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.059 -2.077 -4.271 1.00 0.00 H new ATOM 881 N LYS A 63 7.825 2.782 -7.662 1.00 0.00 N ATOM 882 CA LYS A 63 6.961 2.970 -8.814 1.00 0.00 C ATOM 883 C LYS A 63 6.763 1.627 -9.522 1.00 0.00 C ATOM 884 O LYS A 63 7.726 0.905 -9.770 1.00 0.00 O ATOM 885 CB LYS A 63 7.512 4.069 -9.725 1.00 0.00 C ATOM 886 CG LYS A 63 8.072 3.478 -11.020 1.00 0.00 C ATOM 887 CD LYS A 63 8.945 4.498 -11.755 1.00 0.00 C ATOM 888 CE LYS A 63 10.347 3.939 -12.007 1.00 0.00 C ATOM 889 NZ LYS A 63 11.355 5.021 -11.948 1.00 0.00 N ATOM 0 H LYS A 63 8.614 3.427 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 63 5.976 3.314 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.722 4.783 -9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.295 4.620 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.659 2.588 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.252 3.164 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.479 4.764 -12.704 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.015 5.413 -11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.580 3.176 -11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.382 3.454 -12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.301 4.624 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.141 5.735 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.333 5.465 -11.008 1.00 0.00 H new ATOM 903 N GLY A 64 5.507 1.335 -9.826 1.00 0.00 N ATOM 904 CA GLY A 64 5.170 0.092 -10.500 1.00 0.00 C ATOM 905 C GLY A 64 4.565 -0.916 -9.520 1.00 0.00 C ATOM 906 O GLY A 64 3.765 -1.764 -9.913 1.00 0.00 O ATOM 0 H GLY A 64 4.710 1.937 -9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.463 0.291 -11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.064 -0.332 -10.958 1.00 0.00 H new ATOM 910 N ASN A 65 4.970 -0.790 -8.265 1.00 0.00 N ATOM 911 CA ASN A 65 4.477 -1.679 -7.227 1.00 0.00 C ATOM 912 C ASN A 65 2.948 -1.659 -7.228 1.00 0.00 C ATOM 913 O ASN A 65 2.334 -0.842 -7.913 1.00 0.00 O ATOM 914 CB ASN A 65 4.956 -1.231 -5.845 1.00 0.00 C ATOM 915 CG ASN A 65 6.429 -1.584 -5.633 1.00 0.00 C ATOM 916 OD1 ASN A 65 7.268 -0.735 -5.380 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.696 -2.882 -5.751 1.00 0.00 N ATOM 0 H ASN A 65 5.634 -0.086 -7.943 1.00 0.00 H new ATOM 0 HA ASN A 65 4.856 -2.680 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.818 -0.155 -5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.350 -1.707 -5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.651 -3.220 -5.628 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.946 -3.540 -5.964 1.00 0.00 H new ATOM 924 N GLU A 66 2.375 -2.568 -6.452 1.00 0.00 N ATOM 925 CA GLU A 66 0.929 -2.665 -6.354 1.00 0.00 C ATOM 926 C GLU A 66 0.453 -2.149 -4.995 1.00 0.00 C ATOM 927 O GLU A 66 0.940 -2.590 -3.955 1.00 0.00 O ATOM 928 CB GLU A 66 0.458 -4.101 -6.592 1.00 0.00 C ATOM 929 CG GLU A 66 -1.003 -4.275 -6.173 1.00 0.00 C ATOM 930 CD GLU A 66 -1.785 -5.065 -7.225 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.471 -4.882 -8.421 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.678 -5.834 -6.809 1.00 0.00 O ATOM 0 H GLU A 66 2.887 -3.244 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 66 0.489 -2.040 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.570 -4.354 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.086 -4.792 -6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.051 -4.792 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.463 -3.297 -6.031 1.00 0.00 H new ATOM 939 N VAL A 67 -0.493 -1.223 -5.047 1.00 0.00 N ATOM 940 CA VAL A 67 -1.040 -0.643 -3.832 1.00 0.00 C ATOM 941 C VAL A 67 -2.381 -1.307 -3.514 1.00 0.00 C ATOM 942 O VAL A 67 -3.345 -1.155 -4.262 1.00 0.00 O ATOM 943 CB VAL A 67 -1.145 0.877 -3.979 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.748 1.508 -2.723 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.219 1.492 -4.301 1.00 0.00 C ATOM 0 H VAL A 67 -0.895 -0.860 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.377 -0.829 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.813 1.088 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.812 2.588 -2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.746 1.103 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.116 1.283 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.117 2.573 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.919 1.266 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.594 1.076 -5.236 1.00 0.00 H new ATOM 955 N LEU A 68 -2.399 -2.028 -2.403 1.00 0.00 N ATOM 956 CA LEU A 68 -3.606 -2.716 -1.976 1.00 0.00 C ATOM 957 C LEU A 68 -4.482 -1.750 -1.175 1.00 0.00 C ATOM 958 O LEU A 68 -5.685 -1.654 -1.414 1.00 0.00 O ATOM 959 CB LEU A 68 -3.254 -3.998 -1.220 1.00 0.00 C ATOM 960 CG LEU A 68 -2.161 -4.867 -1.846 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.380 -5.625 -0.771 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.746 -5.809 -2.900 1.00 0.00 C ATOM 0 H LEU A 68 -1.597 -2.151 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.189 -3.034 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.942 -3.727 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.158 -4.599 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.454 -4.212 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.610 -6.235 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.913 -4.913 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.060 -6.268 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.948 -6.415 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.486 -6.460 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.221 -5.224 -3.688 1.00 0.00 H new ATOM 974 N SER A 69 -3.845 -1.060 -0.241 1.00 0.00 N ATOM 975 CA SER A 69 -4.551 -0.105 0.597 1.00 0.00 C ATOM 976 C SER A 69 -3.621 1.051 0.970 1.00 0.00 C ATOM 977 O SER A 69 -2.409 0.963 0.782 1.00 0.00 O ATOM 978 CB SER A 69 -5.096 -0.778 1.858 1.00 0.00 C ATOM 979 OG SER A 69 -4.161 -0.733 2.933 1.00 0.00 O ATOM 0 H SER A 69 -2.847 -1.143 -0.046 1.00 0.00 H new ATOM 0 HA SER A 69 -5.397 0.287 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.021 -0.286 2.161 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.344 -1.816 1.637 1.00 0.00 H new ATOM 0 HG SER A 69 -4.546 -1.171 3.720 1.00 0.00 H new ATOM 985 N ILE A 70 -4.225 2.108 1.493 1.00 0.00 N ATOM 986 CA ILE A 70 -3.466 3.280 1.895 1.00 0.00 C ATOM 987 C ILE A 70 -4.098 3.885 3.151 1.00 0.00 C ATOM 988 O ILE A 70 -5.269 4.262 3.141 1.00 0.00 O ATOM 989 CB ILE A 70 -3.347 4.266 0.731 1.00 0.00 C ATOM 990 CG1 ILE A 70 -1.901 4.359 0.238 1.00 0.00 C ATOM 991 CG2 ILE A 70 -3.912 5.636 1.112 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.828 5.074 -1.113 1.00 0.00 C ATOM 0 H ILE A 70 -5.231 2.177 1.648 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.444 3.002 2.153 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.947 3.890 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.297 4.895 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.479 3.358 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.815 6.317 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.964 5.535 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.360 6.033 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.790 5.127 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.413 4.522 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.229 6.083 -1.013 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.294 3.959 4.201 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.759 4.512 5.462 1.00 0.00 C ATOM 1006 C ASN A 71 -4.580 3.456 6.205 1.00 0.00 C ATOM 1007 O ASN A 71 -5.068 3.705 7.306 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.655 5.731 5.232 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.432 6.787 6.316 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -5.285 7.048 7.149 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -3.243 7.379 6.259 1.00 0.00 N ATOM 0 H ASN A 71 -2.323 3.645 4.205 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.886 4.810 6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.446 6.161 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.701 5.423 5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.999 8.099 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.575 7.113 5.536 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.708 2.299 5.572 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.461 1.204 6.159 1.00 0.00 C ATOM 1020 C GLY A 72 -6.808 1.026 5.456 1.00 0.00 C ATOM 1021 O GLY A 72 -7.607 0.175 5.843 1.00 0.00 O ATOM 0 H GLY A 72 -4.303 2.096 4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.884 0.282 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.623 1.397 7.220 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.018 1.842 4.434 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.254 1.785 3.672 1.00 0.00 C ATOM 1027 C LYS A 73 -7.998 1.068 2.345 1.00 0.00 C ATOM 1028 O LYS A 73 -7.200 1.528 1.530 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.848 3.186 3.509 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.718 3.270 2.253 1.00 0.00 C ATOM 1031 CD LYS A 73 -10.208 4.701 2.020 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.114 4.776 0.790 1.00 0.00 C ATOM 1033 NZ LYS A 73 -10.345 4.478 -0.439 1.00 0.00 N ATOM 0 H LYS A 73 -6.353 2.547 4.116 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.005 1.205 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.444 3.436 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.045 3.921 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.148 2.932 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.573 2.601 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.751 5.051 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.354 5.365 1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.936 4.067 0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.557 5.769 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.920 4.713 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.473 5.044 -0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.101 3.467 -0.460 1.00 0.00 H new ATOM 1047 N SER A 74 -8.691 -0.048 2.169 1.00 0.00 N ATOM 1048 CA SER A 74 -8.548 -0.834 0.955 1.00 0.00 C ATOM 1049 C SER A 74 -9.271 -0.142 -0.203 1.00 0.00 C ATOM 1050 O SER A 74 -10.158 0.681 0.017 1.00 0.00 O ATOM 1051 CB SER A 74 -9.091 -2.251 1.149 1.00 0.00 C ATOM 1052 OG SER A 74 -8.957 -2.694 2.497 1.00 0.00 O ATOM 0 H SER A 74 -9.353 -0.426 2.847 1.00 0.00 H new ATOM 0 HA SER A 74 -7.487 -0.911 0.719 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.142 -2.279 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.561 -2.936 0.488 1.00 0.00 H new ATOM 0 HG SER A 74 -9.317 -3.602 2.580 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.864 -0.503 -1.411 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.461 0.073 -2.604 1.00 0.00 C ATOM 1060 C LEU A 75 -10.683 -0.756 -3.008 1.00 0.00 C ATOM 1061 O LEU A 75 -10.542 -1.852 -3.549 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.417 0.209 -3.714 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.012 0.616 -3.266 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.965 0.207 -4.305 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -6.949 2.111 -2.946 1.00 0.00 C ATOM 0 H LEU A 75 -8.128 -1.187 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.813 1.085 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.348 -0.744 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.775 0.945 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.779 0.080 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.975 0.508 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.989 -0.874 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.184 0.696 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.939 2.373 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.212 2.685 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.651 2.341 -2.145 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.853 -0.201 -2.730 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.098 -0.874 -3.058 1.00 0.00 C ATOM 1079 C LYS A 76 -13.499 -0.527 -4.493 1.00 0.00 C ATOM 1080 O LYS A 76 -14.624 -0.797 -4.910 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.174 -0.545 -2.022 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.307 0.967 -1.831 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.557 1.429 -0.580 1.00 0.00 C ATOM 1084 CE LYS A 76 -14.521 1.655 0.586 1.00 0.00 C ATOM 1085 NZ LYS A 76 -13.793 2.159 1.772 1.00 0.00 N ATOM 0 H LYS A 76 -11.965 0.708 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.968 -1.955 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.130 -0.960 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.924 -1.015 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.914 1.484 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.360 1.236 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.813 0.683 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.018 2.352 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.292 2.369 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.027 0.722 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.304 1.885 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.837 1.751 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.726 3.196 1.724 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.556 0.068 -5.209 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.797 0.455 -6.589 1.00 0.00 C ATOM 1101 C GLY A 77 -12.729 1.975 -6.751 1.00 0.00 C ATOM 1102 O GLY A 77 -13.352 2.535 -7.652 1.00 0.00 O ATOM 0 H GLY A 77 -11.624 0.291 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.059 -0.017 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.776 0.095 -6.906 1.00 0.00 H new ATOM 1106 N THR A 78 -11.968 2.600 -5.865 1.00 0.00 N ATOM 1107 CA THR A 78 -11.811 4.044 -5.899 1.00 0.00 C ATOM 1108 C THR A 78 -11.244 4.487 -7.249 1.00 0.00 C ATOM 1109 O THR A 78 -10.359 3.834 -7.799 1.00 0.00 O ATOM 1110 CB THR A 78 -10.939 4.452 -4.710 1.00 0.00 C ATOM 1111 OG1 THR A 78 -10.998 3.330 -3.834 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.555 5.592 -3.896 1.00 0.00 C ATOM 0 H THR A 78 -11.453 2.133 -5.119 1.00 0.00 H new ATOM 0 HA THR A 78 -12.772 4.549 -5.804 1.00 0.00 H new ATOM 0 HB THR A 78 -9.955 4.752 -5.069 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.458 3.509 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.896 5.843 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.683 6.467 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.525 5.280 -3.509 1.00 0.00 H new ATOM 1120 N THR A 79 -11.777 5.595 -7.743 1.00 0.00 N ATOM 1121 CA THR A 79 -11.335 6.134 -9.018 1.00 0.00 C ATOM 1122 C THR A 79 -9.973 6.813 -8.867 1.00 0.00 C ATOM 1123 O THR A 79 -9.397 6.822 -7.780 1.00 0.00 O ATOM 1124 CB THR A 79 -12.427 7.070 -9.540 1.00 0.00 C ATOM 1125 OG1 THR A 79 -12.793 7.844 -8.401 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.710 6.324 -9.911 1.00 0.00 C ATOM 0 H THR A 79 -12.511 6.134 -7.283 1.00 0.00 H new ATOM 0 HA THR A 79 -11.188 5.342 -9.752 1.00 0.00 H new ATOM 0 HB THR A 79 -12.056 7.610 -10.411 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.352 8.598 -8.684 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.452 7.035 -10.275 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.494 5.594 -10.691 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.100 5.811 -9.032 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.497 7.366 -9.973 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.213 8.047 -9.977 1.00 0.00 C ATOM 1136 C HIS A 80 -8.274 9.262 -9.049 1.00 0.00 C ATOM 1137 O HIS A 80 -7.323 9.539 -8.320 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.795 8.410 -11.403 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.321 8.698 -11.556 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.342 7.755 -11.300 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.670 9.833 -11.943 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.159 8.307 -11.524 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.364 9.596 -11.922 1.00 0.00 N ATOM 0 H HIS A 80 -9.977 7.356 -10.873 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.442 7.379 -9.594 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.066 7.591 -12.070 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.361 9.284 -11.725 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.504 6.796 -10.991 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.138 10.766 -12.220 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.201 7.822 -11.411 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.402 9.955 -9.107 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.599 11.134 -8.282 1.00 0.00 C ATOM 1153 C HIS A 81 -9.850 10.710 -6.833 1.00 0.00 C ATOM 1154 O HIS A 81 -9.106 11.094 -5.932 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.718 12.012 -8.846 1.00 0.00 C ATOM 1156 CG HIS A 81 -11.167 13.110 -7.912 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.549 13.670 -6.832 1.00 0.00 N flip ATOM 1158 CD2 HIS A 81 -12.384 13.755 -8.043 1.00 0.00 C flip ATOM 1159 CE1 HIS A 81 -11.346 14.607 -6.332 1.00 0.00 C flip ATOM 1160 NE2 HIS A 81 -12.484 14.661 -7.081 1.00 0.00 N flip ATOM 0 H HIS A 81 -10.189 9.722 -9.713 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.697 11.746 -8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.379 12.460 -9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.574 11.382 -9.087 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -13.127 13.554 -8.801 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.129 15.225 -5.473 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -13.273 15.288 -6.928 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.902 9.925 -6.655 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.261 9.444 -5.331 1.00 0.00 C ATOM 1170 C ASP A 82 -10.024 8.851 -4.655 1.00 0.00 C ATOM 1171 O ASP A 82 -9.940 8.814 -3.429 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.326 8.349 -5.413 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.751 8.849 -5.660 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.881 9.851 -6.395 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.678 8.218 -5.107 1.00 0.00 O ATOM 0 H ASP A 82 -11.517 9.610 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.653 10.287 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.055 7.659 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.313 7.780 -4.483 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.094 8.401 -5.485 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.864 7.812 -4.983 1.00 0.00 C ATOM 1182 C ALA A 83 -6.875 8.925 -4.634 1.00 0.00 C ATOM 1183 O ALA A 83 -6.361 8.976 -3.517 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.304 6.838 -6.022 1.00 0.00 C ATOM 0 H ALA A 83 -9.168 8.432 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.054 7.244 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.381 6.396 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.033 6.050 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.098 7.373 -6.949 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.638 9.790 -5.610 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.719 10.899 -5.419 1.00 0.00 C ATOM 1192 C LEU A 84 -6.077 11.636 -4.128 1.00 0.00 C ATOM 1193 O LEU A 84 -5.204 11.921 -3.309 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.702 11.799 -6.657 1.00 0.00 C ATOM 1195 CG LEU A 84 -4.922 11.269 -7.861 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -4.468 9.826 -7.629 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -5.736 11.413 -9.149 1.00 0.00 C ATOM 0 H LEU A 84 -7.066 9.745 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.699 10.533 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.732 11.977 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.283 12.764 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.023 11.875 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.916 9.474 -8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.825 9.784 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.340 9.191 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.158 11.029 -9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.664 10.848 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.967 12.465 -9.318 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.363 11.924 -3.985 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.847 12.623 -2.806 1.00 0.00 C ATOM 1211 C ALA A 85 -7.525 11.795 -1.560 1.00 0.00 C ATOM 1212 O ALA A 85 -6.839 12.270 -0.656 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.345 12.896 -2.954 1.00 0.00 C ATOM 0 H ALA A 85 -8.084 11.686 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.349 13.587 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.708 13.420 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.517 13.511 -3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.878 11.951 -3.060 1.00 0.00 H new ATOM 1219 N ILE A 86 -8.036 10.573 -1.553 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.812 9.675 -0.432 1.00 0.00 C ATOM 1221 C ILE A 86 -6.328 9.694 -0.059 1.00 0.00 C ATOM 1222 O ILE A 86 -5.982 9.711 1.122 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.349 8.278 -0.750 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.740 8.075 -0.146 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.365 7.197 -0.298 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.758 7.705 -1.227 1.00 0.00 C ATOM 0 H ILE A 86 -8.604 10.183 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.366 10.012 0.444 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.451 8.189 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.702 7.288 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.057 8.987 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.771 6.214 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.414 7.332 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.208 7.275 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.738 7.566 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.811 8.505 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.451 6.780 -1.715 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.492 9.690 -1.086 1.00 0.00 N ATOM 1239 CA LEU A 87 -4.053 9.706 -0.880 1.00 0.00 C ATOM 1240 C LEU A 87 -3.652 11.024 -0.216 1.00 0.00 C ATOM 1241 O LEU A 87 -2.729 11.058 0.596 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.321 9.432 -2.195 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.891 9.967 -2.290 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.884 11.455 -2.647 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -1.113 9.683 -1.004 1.00 0.00 C ATOM 0 H LEU A 87 -5.783 9.676 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.756 8.905 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.296 8.354 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.904 9.863 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.383 9.440 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.855 11.810 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.376 11.601 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.416 12.016 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.100 10.074 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.611 10.166 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.073 8.607 -0.833 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.367 12.077 -0.585 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.097 13.395 -0.035 1.00 0.00 C ATOM 1259 C ARG A 88 -4.511 13.450 1.437 1.00 0.00 C ATOM 1260 O ARG A 88 -3.926 14.194 2.223 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.846 14.480 -0.810 1.00 0.00 C ATOM 1262 CG ARG A 88 -6.040 15.001 -0.008 1.00 0.00 C ATOM 1263 CD ARG A 88 -6.976 15.828 -0.892 1.00 0.00 C ATOM 1264 NE ARG A 88 -8.304 15.948 -0.250 1.00 0.00 N ATOM 1265 CZ ARG A 88 -9.210 16.883 -0.567 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -8.937 17.784 -1.520 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -10.390 16.916 0.068 1.00 0.00 N ATOM 0 H ARG A 88 -5.133 12.044 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.026 13.578 -0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.169 15.303 -1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.191 14.079 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.587 14.162 0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.686 15.611 0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.552 16.818 -1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.077 15.357 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.545 15.277 0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.040 17.758 -2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.627 18.496 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.598 16.229 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.079 17.628 -0.174 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.518 12.654 1.766 1.00 0.00 N ATOM 1282 CA GLN A 89 -6.018 12.604 3.129 1.00 0.00 C ATOM 1283 C GLN A 89 -5.106 11.734 3.997 1.00 0.00 C ATOM 1284 O GLN A 89 -4.972 11.972 5.196 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.460 12.093 3.166 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.404 13.065 2.455 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.643 13.348 3.307 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.611 13.314 4.526 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.734 13.626 2.599 1.00 0.00 N ATOM 0 H GLN A 89 -6.001 12.038 1.112 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.015 13.616 3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.515 11.114 2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.777 11.963 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.881 13.998 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.706 12.647 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.691 13.638 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.613 13.828 3.075 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.503 10.743 3.357 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.608 9.836 4.055 1.00 0.00 C ATOM 1300 C ALA A 90 -2.316 10.575 4.411 1.00 0.00 C ATOM 1301 O ALA A 90 -1.472 10.045 5.131 1.00 0.00 O ATOM 1302 CB ALA A 90 -3.353 8.602 3.188 1.00 0.00 C ATOM 0 H ALA A 90 -4.617 10.548 2.362 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.059 9.493 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.682 7.922 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.298 8.097 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.898 8.907 2.246 1.00 0.00 H new ATOM 1308 N ARG A 91 -2.204 11.789 3.891 1.00 0.00 N ATOM 1309 CA ARG A 91 -1.030 12.606 4.145 1.00 0.00 C ATOM 1310 C ARG A 91 -1.286 13.552 5.320 1.00 0.00 C ATOM 1311 O ARG A 91 -0.364 14.202 5.810 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.653 13.427 2.910 1.00 0.00 C ATOM 1313 CG ARG A 91 -0.212 12.519 1.761 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.518 13.161 0.406 1.00 0.00 C ATOM 1315 NE ARG A 91 0.718 13.245 -0.404 1.00 0.00 N ATOM 1316 CZ ARG A 91 1.614 14.237 -0.306 1.00 0.00 C ATOM 1317 NH1 ARG A 91 1.418 15.233 0.568 1.00 0.00 N ATOM 1318 NH2 ARG A 91 2.707 14.232 -1.082 1.00 0.00 N ATOM 0 H ARG A 91 -2.907 12.226 3.295 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.205 11.936 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.505 14.029 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.151 14.119 3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.857 12.320 1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.722 11.558 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.270 12.575 -0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.936 14.157 0.552 1.00 0.00 H new ATOM 0 HE ARG A 91 0.899 12.502 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.587 15.237 1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.100 15.988 0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.857 13.473 -1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.389 14.987 -1.007 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.542 13.599 5.737 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.931 14.455 6.845 1.00 0.00 C ATOM 1334 C GLU A 92 -2.191 14.042 8.119 1.00 0.00 C ATOM 1335 O GLU A 92 -1.705 14.893 8.863 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.446 14.424 7.056 1.00 0.00 C ATOM 1337 CG GLU A 92 -5.186 14.804 5.772 1.00 0.00 C ATOM 1338 CD GLU A 92 -6.689 14.553 5.911 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -7.118 14.292 7.056 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -7.376 14.627 4.869 1.00 0.00 O ATOM 0 H GLU A 92 -3.304 13.058 5.328 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.652 15.480 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.752 13.428 7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.720 15.113 7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.009 15.855 5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.793 14.225 4.936 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.128 12.701 8.339 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.456 12.165 9.510 1.00 0.00 C ATOM 1349 C PRO A 93 0.064 12.247 9.356 1.00 0.00 C ATOM 1350 O PRO A 93 0.564 12.639 8.303 1.00 0.00 O ATOM 1351 CB PRO A 93 -1.965 10.739 9.637 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.539 10.379 8.277 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.692 11.664 7.480 1.00 0.00 C ATOM 0 HA PRO A 93 -1.671 12.732 10.415 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.159 10.060 9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.725 10.663 10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.880 9.683 7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.503 9.882 8.389 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.162 11.606 6.529 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.738 11.866 7.250 1.00 0.00 H new ATOM 1361 N ARG A 94 0.756 11.870 10.421 1.00 0.00 N ATOM 1362 CA ARG A 94 2.209 11.895 10.417 1.00 0.00 C ATOM 1363 C ARG A 94 2.762 10.535 9.988 1.00 0.00 C ATOM 1364 O ARG A 94 3.954 10.404 9.715 1.00 0.00 O ATOM 1365 CB ARG A 94 2.757 12.249 11.800 1.00 0.00 C ATOM 1366 CG ARG A 94 3.031 13.750 11.915 1.00 0.00 C ATOM 1367 CD ARG A 94 1.905 14.456 12.672 1.00 0.00 C ATOM 1368 NE ARG A 94 2.436 15.645 13.375 1.00 0.00 N ATOM 1369 CZ ARG A 94 1.769 16.317 14.324 1.00 0.00 C ATOM 1370 NH1 ARG A 94 0.542 15.921 14.689 1.00 0.00 N ATOM 1371 NH2 ARG A 94 2.330 17.385 14.908 1.00 0.00 N ATOM 0 H ARG A 94 0.337 11.545 11.293 1.00 0.00 H new ATOM 0 HA ARG A 94 2.526 12.659 9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.043 11.947 12.566 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.676 11.693 11.984 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.978 13.912 12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 94 3.132 14.182 10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.120 14.755 11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.453 13.771 13.389 1.00 0.00 H new ATOM 0 HE ARG A 94 3.368 15.974 13.122 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.115 15.108 14.245 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.035 16.433 15.411 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.264 17.686 14.630 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.823 17.897 15.630 1.00 0.00 H new ATOM 1385 N GLN A 95 1.870 9.556 9.944 1.00 0.00 N ATOM 1386 CA GLN A 95 2.255 8.210 9.553 1.00 0.00 C ATOM 1387 C GLN A 95 1.299 7.674 8.486 1.00 0.00 C ATOM 1388 O GLN A 95 0.100 7.945 8.529 1.00 0.00 O ATOM 1389 CB GLN A 95 2.300 7.280 10.767 1.00 0.00 C ATOM 1390 CG GLN A 95 3.108 6.017 10.460 1.00 0.00 C ATOM 1391 CD GLN A 95 2.861 4.938 11.515 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.685 4.673 12.375 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.683 4.331 11.402 1.00 0.00 N ATOM 0 H GLN A 95 0.882 9.668 10.173 1.00 0.00 H new ATOM 0 HA GLN A 95 3.258 8.248 9.128 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.744 7.803 11.614 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.286 7.006 11.057 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.835 5.637 9.475 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.170 6.260 10.425 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.039 4.601 10.658 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.423 3.595 12.059 1.00 0.00 H new ATOM 1402 N ALA A 96 1.866 6.922 7.554 1.00 0.00 N ATOM 1403 CA ALA A 96 1.079 6.345 6.477 1.00 0.00 C ATOM 1404 C ALA A 96 1.224 4.822 6.504 1.00 0.00 C ATOM 1405 O ALA A 96 2.288 4.303 6.839 1.00 0.00 O ATOM 1406 CB ALA A 96 1.520 6.949 5.142 1.00 0.00 C ATOM 0 H ALA A 96 2.861 6.699 7.522 1.00 0.00 H new ATOM 0 HA ALA A 96 0.022 6.578 6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.930 6.516 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.369 8.028 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.575 6.733 4.976 1.00 0.00 H new ATOM 1412 N VAL A 97 0.139 4.150 6.148 1.00 0.00 N ATOM 1413 CA VAL A 97 0.133 2.697 6.128 1.00 0.00 C ATOM 1414 C VAL A 97 -0.238 2.213 4.725 1.00 0.00 C ATOM 1415 O VAL A 97 -1.372 2.389 4.283 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.806 2.163 7.212 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.416 0.822 6.797 1.00 0.00 C ATOM 1418 CG2 VAL A 97 -0.081 2.044 8.554 1.00 0.00 C ATOM 0 H VAL A 97 -0.741 4.584 5.871 1.00 0.00 H new ATOM 0 HA VAL A 97 1.125 2.307 6.355 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.620 2.878 7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.079 0.465 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.984 0.950 5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.620 0.095 6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.770 1.662 9.307 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.761 1.360 8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.283 3.025 8.859 1.00 0.00 H new ATOM 1428 N ILE A 98 0.741 1.612 4.063 1.00 0.00 N ATOM 1429 CA ILE A 98 0.532 1.101 2.719 1.00 0.00 C ATOM 1430 C ILE A 98 0.886 -0.387 2.683 1.00 0.00 C ATOM 1431 O ILE A 98 1.879 -0.807 3.275 1.00 0.00 O ATOM 1432 CB ILE A 98 1.304 1.942 1.700 1.00 0.00 C ATOM 1433 CG1 ILE A 98 0.993 3.430 1.869 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.035 1.458 0.274 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.078 4.128 2.692 1.00 0.00 C ATOM 0 H ILE A 98 1.681 1.468 4.433 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.518 1.186 2.438 1.00 0.00 H new ATOM 0 HB ILE A 98 2.370 1.813 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.914 3.902 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.027 3.550 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.595 2.072 -0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.348 0.418 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.030 1.538 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.832 5.185 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.137 3.670 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.039 4.028 2.187 1.00 0.00 H new ATOM 1447 N VAL A 99 0.053 -1.144 1.983 1.00 0.00 N ATOM 1448 CA VAL A 99 0.266 -2.576 1.863 1.00 0.00 C ATOM 1449 C VAL A 99 0.517 -2.928 0.395 1.00 0.00 C ATOM 1450 O VAL A 99 -0.377 -2.797 -0.440 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.919 -3.334 2.465 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.646 -4.839 2.501 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.256 -2.804 3.860 1.00 0.00 C ATOM 0 H VAL A 99 -0.770 -0.792 1.494 1.00 0.00 H new ATOM 0 HA VAL A 99 1.148 -2.879 2.426 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.785 -3.166 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.504 -5.354 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.477 -5.203 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.238 -5.034 3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.102 -3.359 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.393 -2.928 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.514 -1.747 3.795 1.00 0.00 H new ATOM 1463 N THR A 100 1.737 -3.368 0.125 1.00 0.00 N ATOM 1464 CA THR A 100 2.117 -3.739 -1.227 1.00 0.00 C ATOM 1465 C THR A 100 2.800 -5.108 -1.232 1.00 0.00 C ATOM 1466 O THR A 100 3.331 -5.545 -0.212 1.00 0.00 O ATOM 1467 CB THR A 100 2.992 -2.621 -1.797 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.081 -2.533 -0.882 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.320 -1.250 -1.711 1.00 0.00 C ATOM 0 H THR A 100 2.476 -3.476 0.820 1.00 0.00 H new ATOM 0 HA THR A 100 1.242 -3.845 -1.869 1.00 0.00 H new ATOM 0 HB THR A 100 3.232 -2.842 -2.837 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.700 -1.832 -1.176 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.983 -0.493 -2.129 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.387 -1.266 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.110 -1.013 -0.668 1.00 0.00 H new ATOM 1477 N ARG A 101 2.764 -5.748 -2.392 1.00 0.00 N ATOM 1478 CA ARG A 101 3.373 -7.058 -2.543 1.00 0.00 C ATOM 1479 C ARG A 101 4.769 -6.927 -3.156 1.00 0.00 C ATOM 1480 O ARG A 101 5.092 -5.906 -3.761 1.00 0.00 O ATOM 1481 CB ARG A 101 2.518 -7.964 -3.431 1.00 0.00 C ATOM 1482 CG ARG A 101 1.168 -8.260 -2.773 1.00 0.00 C ATOM 1483 CD ARG A 101 0.037 -7.513 -3.482 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.874 -8.477 -4.138 1.00 0.00 N ATOM 1485 CZ ARG A 101 -1.681 -9.317 -3.477 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -1.697 -9.317 -2.137 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -2.474 -10.158 -4.156 1.00 0.00 N ATOM 0 H ARG A 101 2.322 -5.383 -3.236 1.00 0.00 H new ATOM 0 HA ARG A 101 3.447 -7.505 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.359 -7.486 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.047 -8.898 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.974 -9.332 -2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.199 -7.968 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.516 -6.908 -2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.451 -6.829 -4.223 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.888 -8.503 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.094 -8.677 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.312 -9.957 -1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.463 -10.158 -5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.089 -10.798 -3.653 1.00 0.00 H new