USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 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 67 ASN : amide:sc= 0.4 K(o=0.96,f=-6.4!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -174:sc= 0.558 (180deg=0) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 55 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Set 3.1: A 28 THR OG1 : rot 51:sc= 0.945 USER MOD Set 3.2: A 29 ASN : amide:sc= -6.74! C(o=-5.8!,f=-3.2!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -3.79! C(o=-3.8!,f=-3.2!) USER MOD Single : A 37 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.69) USER MOD Single : A 38 GLN : amide:sc= -13! C(o=-13!,f=-15!) USER MOD Single : A 40 ASN : amide:sc= 0.484 K(o=0.48,f=-0.22) USER MOD Single : A 43 ASN : amide:sc= -7.44! K(o=-7.4!,f=-1.4) USER MOD Single : A 48 TYR OH : rot 113:sc= 0.0948 USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -0.0172 (180deg=-0.163) USER MOD Single : A 51 MET CE :methyl 169:sc= 0 (180deg=-0.093) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -13.4! C(o=-13!,f=-21!) USER MOD Single : A 59 GLN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD Single : A 61 MET CE :methyl 142:sc= -2.73! (180deg=-5.63!) USER MOD Single : A 62 SER OG : rot -91:sc= 1.19 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 69 GLN : amide:sc= -8.58! C(o=-8.6!,f=-9.9!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -38:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -6.647 8.790 0.418 1.00 0.00 N ATOM 197 CA VAL A 14 -6.879 9.269 -0.939 1.00 0.00 C ATOM 198 C VAL A 14 -5.617 9.929 -1.486 1.00 0.00 C ATOM 199 O VAL A 14 -5.187 9.648 -2.608 1.00 0.00 O ATOM 200 CB VAL A 14 -8.060 10.268 -0.986 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.062 11.065 -2.279 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.382 9.537 -0.826 1.00 0.00 C ATOM 0 HA VAL A 14 -7.135 8.410 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.934 10.965 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.904 11.757 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.131 11.626 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.152 10.384 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.201 10.255 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.498 8.814 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.397 9.017 0.132 1.00 0.00 H new ATOM 212 N THR A 15 -5.021 10.803 -0.687 1.00 0.00 N ATOM 213 CA THR A 15 -3.728 11.373 -1.026 1.00 0.00 C ATOM 214 C THR A 15 -2.715 10.239 -1.185 1.00 0.00 C ATOM 215 O THR A 15 -2.009 10.120 -2.203 1.00 0.00 O ATOM 216 CB THR A 15 -3.252 12.350 0.069 1.00 0.00 C ATOM 217 OG1 THR A 15 -4.315 13.263 0.397 1.00 0.00 O ATOM 218 CG2 THR A 15 -2.029 13.135 -0.391 1.00 0.00 C ATOM 0 H THR A 15 -5.411 11.131 0.196 1.00 0.00 H new ATOM 0 HA THR A 15 -3.818 11.930 -1.959 1.00 0.00 H new ATOM 0 HB THR A 15 -2.977 11.770 0.950 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.012 13.882 1.094 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.715 13.816 0.400 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.217 12.444 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.279 13.707 -1.284 1.00 0.00 H new ATOM 226 N GLU A 16 -2.697 9.369 -0.189 1.00 0.00 N ATOM 227 CA GLU A 16 -1.849 8.203 -0.230 1.00 0.00 C ATOM 228 C GLU A 16 -2.259 7.283 -1.362 1.00 0.00 C ATOM 229 O GLU A 16 -1.422 6.609 -1.904 1.00 0.00 O ATOM 230 CB GLU A 16 -1.871 7.444 1.094 1.00 0.00 C ATOM 231 CG GLU A 16 -1.298 8.245 2.253 1.00 0.00 C ATOM 232 CD GLU A 16 -1.147 7.431 3.524 1.00 0.00 C ATOM 233 OE1 GLU A 16 -0.106 6.761 3.691 1.00 0.00 O ATOM 234 OE2 GLU A 16 -2.059 7.475 4.376 1.00 0.00 O ATOM 0 H GLU A 16 -3.262 9.454 0.656 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.830 8.549 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.898 7.163 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.305 6.519 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.324 8.642 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.945 9.099 2.451 1.00 0.00 H new ATOM 241 N LEU A 17 -3.539 7.275 -1.735 1.00 0.00 N ATOM 242 CA LEU A 17 -4.011 6.400 -2.812 1.00 0.00 C ATOM 243 C LEU A 17 -3.295 6.760 -4.104 1.00 0.00 C ATOM 244 O LEU A 17 -2.860 5.886 -4.859 1.00 0.00 O ATOM 245 CB LEU A 17 -5.551 6.456 -2.980 1.00 0.00 C ATOM 246 CG LEU A 17 -6.117 7.222 -4.190 1.00 0.00 C ATOM 247 CD1 LEU A 17 -6.047 6.388 -5.464 1.00 0.00 C ATOM 248 CD2 LEU A 17 -7.554 7.641 -3.923 1.00 0.00 C ATOM 0 H LEU A 17 -4.262 7.858 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.774 5.370 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.919 5.431 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.970 6.901 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.503 8.111 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.455 6.961 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.009 6.131 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.627 5.475 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.942 8.182 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.164 6.755 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.588 8.287 -3.046 1.00 0.00 H new ATOM 260 N GLU A 18 -3.162 8.060 -4.337 1.00 0.00 N ATOM 261 CA GLU A 18 -2.396 8.563 -5.464 1.00 0.00 C ATOM 262 C GLU A 18 -0.942 8.123 -5.330 1.00 0.00 C ATOM 263 O GLU A 18 -0.270 7.826 -6.318 1.00 0.00 O ATOM 264 CB GLU A 18 -2.486 10.087 -5.513 1.00 0.00 C ATOM 265 CG GLU A 18 -1.771 10.710 -6.698 1.00 0.00 C ATOM 266 CD GLU A 18 -1.819 12.217 -6.663 1.00 0.00 C ATOM 267 OE1 GLU A 18 -2.850 12.798 -7.070 1.00 0.00 O ATOM 268 OE2 GLU A 18 -0.830 12.831 -6.217 1.00 0.00 O ATOM 0 H GLU A 18 -3.579 8.787 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.805 8.159 -6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.536 10.378 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.067 10.495 -4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.732 10.381 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.226 10.355 -7.623 1.00 0.00 H new ATOM 275 N CYS A 19 -0.485 8.052 -4.088 1.00 0.00 N ATOM 276 CA CYS A 19 0.875 7.631 -3.775 1.00 0.00 C ATOM 277 C CYS A 19 0.962 6.112 -3.623 1.00 0.00 C ATOM 278 O CYS A 19 2.016 5.563 -3.327 1.00 0.00 O ATOM 279 CB CYS A 19 1.371 8.337 -2.517 1.00 0.00 C ATOM 280 SG CYS A 19 1.713 10.105 -2.764 1.00 0.00 S ATOM 0 H CYS A 19 -1.046 8.284 -3.268 1.00 0.00 H new ATOM 0 HA CYS A 19 1.521 7.914 -4.606 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.625 8.226 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.279 7.845 -2.168 1.00 0.00 H new ATOM 285 N ILE A 20 -0.167 5.445 -3.771 1.00 0.00 N ATOM 286 CA ILE A 20 -0.202 3.988 -3.760 1.00 0.00 C ATOM 287 C ILE A 20 -0.079 3.447 -5.181 1.00 0.00 C ATOM 288 O ILE A 20 0.661 2.497 -5.442 1.00 0.00 O ATOM 289 CB ILE A 20 -1.507 3.444 -3.123 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.587 3.804 -1.633 1.00 0.00 C ATOM 291 CG2 ILE A 20 -1.605 1.935 -3.303 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.890 3.399 -0.981 1.00 0.00 C ATOM 0 H ILE A 20 -1.077 5.887 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 20 0.641 3.652 -3.156 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.347 3.914 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.762 3.323 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.453 4.880 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.528 1.574 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.605 1.695 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.752 1.455 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.875 3.685 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.718 3.900 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.017 2.319 -1.062 1.00 0.00 H new ATOM 304 N ARG A 21 -0.796 4.071 -6.107 1.00 0.00 N ATOM 305 CA ARG A 21 -0.867 3.566 -7.471 1.00 0.00 C ATOM 306 C ARG A 21 0.140 4.235 -8.395 1.00 0.00 C ATOM 307 O ARG A 21 0.231 3.881 -9.571 1.00 0.00 O ATOM 308 CB ARG A 21 -2.273 3.701 -8.047 1.00 0.00 C ATOM 309 CG ARG A 21 -3.299 2.825 -7.345 1.00 0.00 C ATOM 310 CD ARG A 21 -4.552 2.624 -8.186 1.00 0.00 C ATOM 311 NE ARG A 21 -5.295 3.861 -8.416 1.00 0.00 N ATOM 312 CZ ARG A 21 -6.610 3.975 -8.229 1.00 0.00 C ATOM 313 NH1 ARG A 21 -7.311 2.939 -7.787 1.00 0.00 N ATOM 314 NH2 ARG A 21 -7.227 5.119 -8.489 1.00 0.00 N ATOM 0 H ARG A 21 -1.333 4.922 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.612 2.508 -7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.587 4.742 -7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.250 3.444 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.854 1.855 -7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.571 3.279 -6.392 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.272 2.192 -9.147 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.203 1.904 -7.690 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.780 4.681 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.844 2.054 -7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.317 3.028 -7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.695 5.918 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.233 5.200 -8.344 1.00 0.00 H new ATOM 328 N LEU A 22 0.893 5.193 -7.872 1.00 0.00 N ATOM 329 CA LEU A 22 1.899 5.920 -8.656 1.00 0.00 C ATOM 330 C LEU A 22 3.079 5.022 -9.076 1.00 0.00 C ATOM 331 O LEU A 22 4.133 5.517 -9.472 1.00 0.00 O ATOM 332 CB LEU A 22 2.378 7.164 -7.868 1.00 0.00 C ATOM 333 CG LEU A 22 3.318 6.968 -6.648 1.00 0.00 C ATOM 334 CD1 LEU A 22 3.112 5.634 -5.946 1.00 0.00 C ATOM 335 CD2 LEU A 22 4.778 7.155 -7.042 1.00 0.00 C ATOM 0 H LEU A 22 0.830 5.492 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 22 1.430 6.250 -9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.886 7.823 -8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.491 7.693 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 22 3.050 7.742 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.798 5.557 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.085 5.567 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.305 4.821 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.412 7.012 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.045 6.426 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.923 8.162 -7.434 1.00 0.00 H new ATOM 347 N ARG A 23 2.872 3.703 -8.994 1.00 0.00 N ATOM 348 CA ARG A 23 3.893 2.691 -9.316 1.00 0.00 C ATOM 349 C ARG A 23 4.997 2.636 -8.263 1.00 0.00 C ATOM 350 O ARG A 23 5.662 1.617 -8.111 1.00 0.00 O ATOM 351 CB ARG A 23 4.488 2.915 -10.713 1.00 0.00 C ATOM 352 CG ARG A 23 3.479 2.707 -11.828 1.00 0.00 C ATOM 353 CD ARG A 23 2.959 1.280 -11.835 1.00 0.00 C ATOM 354 NE ARG A 23 1.688 1.156 -12.546 1.00 0.00 N ATOM 355 CZ ARG A 23 1.040 0.001 -12.700 1.00 0.00 C ATOM 356 NH1 ARG A 23 1.583 -1.131 -12.264 1.00 0.00 N ATOM 357 NH2 ARG A 23 -0.141 -0.030 -13.304 1.00 0.00 N ATOM 0 H ARG A 23 1.982 3.300 -8.699 1.00 0.00 H new ATOM 0 HA ARG A 23 3.387 1.726 -9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.885 3.928 -10.774 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.327 2.234 -10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.647 3.400 -11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.942 2.934 -12.789 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.698 0.629 -12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.833 0.936 -10.808 1.00 0.00 H new ATOM 0 HE ARG A 23 1.275 1.998 -12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.497 -1.117 -11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.086 -2.014 -12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.558 0.833 -13.653 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.632 -0.917 -13.419 1.00 0.00 H new ATOM 371 N ILE A 24 5.158 3.729 -7.530 1.00 0.00 N ATOM 372 CA ILE A 24 6.105 3.821 -6.427 1.00 0.00 C ATOM 373 C ILE A 24 7.536 3.669 -6.942 1.00 0.00 C ATOM 374 O ILE A 24 8.007 4.527 -7.683 1.00 0.00 O ATOM 375 CB ILE A 24 5.785 2.807 -5.288 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.259 2.729 -5.076 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.486 3.205 -4.002 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.812 2.635 -3.630 1.00 0.00 C ATOM 0 H ILE A 24 4.629 4.587 -7.686 1.00 0.00 H new ATOM 0 HA ILE A 24 6.007 4.812 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 24 6.153 1.823 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.800 3.610 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.877 1.862 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.249 2.484 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.564 3.222 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.150 4.196 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.724 2.585 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.234 1.738 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.156 3.514 -3.085 1.00 0.00 H new ATOM 390 N SER A 25 8.210 2.587 -6.579 1.00 0.00 N ATOM 391 CA SER A 25 9.570 2.328 -7.049 1.00 0.00 C ATOM 392 C SER A 25 10.095 0.992 -6.498 1.00 0.00 C ATOM 393 O SER A 25 10.535 0.138 -7.268 1.00 0.00 O ATOM 394 CB SER A 25 10.521 3.485 -6.691 1.00 0.00 C ATOM 395 OG SER A 25 11.836 3.270 -7.178 1.00 0.00 O ATOM 0 H SER A 25 7.838 1.869 -5.957 1.00 0.00 H new ATOM 0 HA SER A 25 9.536 2.257 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.130 4.415 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.552 3.605 -5.608 1.00 0.00 H new ATOM 0 HG SER A 25 12.405 4.028 -6.930 1.00 0.00 H new ATOM 401 N PRO A 26 10.076 0.808 -5.153 1.00 0.00 N ATOM 402 CA PRO A 26 10.477 -0.455 -4.475 1.00 0.00 C ATOM 403 C PRO A 26 9.767 -1.737 -4.966 1.00 0.00 C ATOM 404 O PRO A 26 9.219 -1.785 -6.065 1.00 0.00 O ATOM 405 CB PRO A 26 10.069 -0.165 -3.031 1.00 0.00 C ATOM 406 CG PRO A 26 10.280 1.287 -2.886 1.00 0.00 C ATOM 407 CD PRO A 26 9.745 1.851 -4.155 1.00 0.00 C ATOM 0 HA PRO A 26 11.529 -0.676 -4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.030 -0.438 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.676 -0.729 -2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.753 1.683 -2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.335 1.527 -2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.671 2.026 -4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.211 2.805 -4.400 1.00 0.00 H new ATOM 415 N GLU A 27 9.762 -2.778 -4.114 1.00 0.00 N ATOM 416 CA GLU A 27 9.088 -4.056 -4.423 1.00 0.00 C ATOM 417 C GLU A 27 7.577 -3.881 -4.489 1.00 0.00 C ATOM 418 O GLU A 27 6.846 -4.845 -4.709 1.00 0.00 O ATOM 419 CB GLU A 27 9.410 -5.138 -3.388 1.00 0.00 C ATOM 420 CG GLU A 27 10.893 -5.459 -3.253 1.00 0.00 C ATOM 421 CD GLU A 27 11.502 -5.967 -4.543 1.00 0.00 C ATOM 422 OE1 GLU A 27 11.453 -7.190 -4.794 1.00 0.00 O ATOM 423 OE2 GLU A 27 12.033 -5.146 -5.315 1.00 0.00 O ATOM 0 H GLU A 27 10.219 -2.760 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 27 9.465 -4.372 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.030 -4.820 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.876 -6.050 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.426 -4.564 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.029 -6.208 -2.473 1.00 0.00 H new ATOM 430 N THR A 28 7.140 -2.650 -4.249 1.00 0.00 N ATOM 431 CA THR A 28 5.739 -2.264 -4.244 1.00 0.00 C ATOM 432 C THR A 28 4.849 -3.085 -5.187 1.00 0.00 C ATOM 433 O THR A 28 3.873 -3.687 -4.742 1.00 0.00 O ATOM 434 CB THR A 28 5.623 -0.774 -4.636 1.00 0.00 C ATOM 435 OG1 THR A 28 4.248 -0.391 -4.747 1.00 0.00 O ATOM 436 CG2 THR A 28 6.326 -0.515 -5.954 1.00 0.00 C ATOM 0 H THR A 28 7.770 -1.874 -4.047 1.00 0.00 H new ATOM 0 HA THR A 28 5.380 -2.454 -3.232 1.00 0.00 H new ATOM 0 HB THR A 28 6.098 -0.181 -3.855 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.767 -0.662 -3.937 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.234 0.539 -6.214 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.380 -0.775 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.870 -1.123 -6.735 1.00 0.00 H new ATOM 444 N ASN A 29 5.194 -3.158 -6.463 1.00 0.00 N ATOM 445 CA ASN A 29 4.271 -3.709 -7.432 1.00 0.00 C ATOM 446 C ASN A 29 4.153 -5.204 -7.241 1.00 0.00 C ATOM 447 O ASN A 29 3.052 -5.717 -7.182 1.00 0.00 O ATOM 448 CB ASN A 29 4.675 -3.347 -8.867 1.00 0.00 C ATOM 449 CG ASN A 29 4.366 -1.892 -9.205 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.105 -1.546 -10.356 1.00 0.00 O ATOM 451 ND2 ASN A 29 4.372 -1.035 -8.194 1.00 0.00 N ATOM 0 H ASN A 29 6.089 -2.849 -6.843 1.00 0.00 H new ATOM 0 HA ASN A 29 3.289 -3.265 -7.266 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.741 -3.530 -8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.151 -3.999 -9.565 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.155 -0.052 -8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.593 -1.359 -7.252 1.00 0.00 H new ATOM 458 N ALA A 30 5.274 -5.887 -7.065 1.00 0.00 N ATOM 459 CA ALA A 30 5.244 -7.329 -6.871 1.00 0.00 C ATOM 460 C ALA A 30 4.597 -7.677 -5.530 1.00 0.00 C ATOM 461 O ALA A 30 3.707 -8.532 -5.450 1.00 0.00 O ATOM 462 CB ALA A 30 6.654 -7.898 -6.950 1.00 0.00 C ATOM 0 H ALA A 30 6.206 -5.472 -7.052 1.00 0.00 H new ATOM 0 HA ALA A 30 4.644 -7.775 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.619 -8.978 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.081 -7.678 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.273 -7.446 -6.175 1.00 0.00 H new ATOM 468 N ALA A 31 5.020 -6.967 -4.493 1.00 0.00 N ATOM 469 CA ALA A 31 4.595 -7.259 -3.135 1.00 0.00 C ATOM 470 C ALA A 31 3.111 -6.978 -2.922 1.00 0.00 C ATOM 471 O ALA A 31 2.340 -7.903 -2.672 1.00 0.00 O ATOM 472 CB ALA A 31 5.435 -6.465 -2.155 1.00 0.00 C ATOM 0 H ALA A 31 5.663 -6.179 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 31 4.743 -8.325 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.113 -6.686 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.484 -6.737 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.312 -5.400 -2.350 1.00 0.00 H new ATOM 478 N PHE A 32 2.711 -5.708 -3.000 1.00 0.00 N ATOM 479 CA PHE A 32 1.304 -5.352 -2.821 1.00 0.00 C ATOM 480 C PHE A 32 0.410 -6.058 -3.826 1.00 0.00 C ATOM 481 O PHE A 32 -0.714 -6.375 -3.503 1.00 0.00 O ATOM 482 CB PHE A 32 1.079 -3.846 -2.920 1.00 0.00 C ATOM 483 CG PHE A 32 2.056 -3.125 -2.083 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.257 -3.510 -0.777 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.835 -2.132 -2.619 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.237 -2.926 -0.028 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.800 -1.529 -1.864 1.00 0.00 C ATOM 488 CZ PHE A 32 4.009 -1.936 -0.570 1.00 0.00 C ATOM 0 H PHE A 32 3.331 -4.919 -3.183 1.00 0.00 H new ATOM 0 HA PHE A 32 1.036 -5.682 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.172 -3.525 -3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.066 -3.601 -2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.635 -4.279 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.685 -1.825 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.402 -3.245 0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.397 -0.734 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.785 -1.473 0.022 1.00 0.00 H new ATOM 498 N ASP A 33 0.885 -6.307 -5.045 1.00 0.00 N ATOM 499 CA ASP A 33 0.059 -7.011 -6.022 1.00 0.00 C ATOM 500 C ASP A 33 -0.348 -8.358 -5.457 1.00 0.00 C ATOM 501 O ASP A 33 -1.528 -8.674 -5.368 1.00 0.00 O ATOM 502 CB ASP A 33 0.804 -7.205 -7.337 1.00 0.00 C ATOM 503 CG ASP A 33 -0.094 -7.726 -8.439 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.819 -6.918 -9.052 1.00 0.00 O ATOM 505 OD2 ASP A 33 -0.076 -8.950 -8.698 1.00 0.00 O ATOM 0 H ASP A 33 1.813 -6.040 -5.374 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.827 -6.409 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.241 -6.256 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.629 -7.901 -7.185 1.00 0.00 H new ATOM 510 N ASN A 34 0.642 -9.124 -5.027 1.00 0.00 N ATOM 511 CA ASN A 34 0.406 -10.412 -4.382 1.00 0.00 C ATOM 512 C ASN A 34 -0.412 -10.238 -3.092 1.00 0.00 C ATOM 513 O ASN A 34 -1.312 -11.027 -2.788 1.00 0.00 O ATOM 514 CB ASN A 34 1.754 -11.063 -4.082 1.00 0.00 C ATOM 515 CG ASN A 34 1.645 -12.401 -3.385 1.00 0.00 C ATOM 516 OD1 ASN A 34 0.674 -13.137 -3.554 1.00 0.00 O ATOM 517 ND2 ASN A 34 2.666 -12.726 -2.608 1.00 0.00 N ATOM 0 H ASN A 34 1.627 -8.875 -5.113 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.170 -11.052 -5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.299 -11.194 -5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.343 -10.388 -3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.670 -13.621 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.449 -12.082 -2.499 1.00 0.00 H new ATOM 524 N ALA A 35 -0.108 -9.180 -2.351 1.00 0.00 N ATOM 525 CA ALA A 35 -0.761 -8.906 -1.075 1.00 0.00 C ATOM 526 C ALA A 35 -2.232 -8.531 -1.245 1.00 0.00 C ATOM 527 O ALA A 35 -3.121 -9.090 -0.595 1.00 0.00 O ATOM 528 CB ALA A 35 -0.023 -7.793 -0.359 1.00 0.00 C ATOM 0 H ALA A 35 0.595 -8.490 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.728 -9.820 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.510 -7.588 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.009 -8.096 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.036 -6.893 -0.974 1.00 0.00 H new ATOM 534 N VAL A 36 -2.481 -7.577 -2.111 1.00 0.00 N ATOM 535 CA VAL A 36 -3.818 -7.115 -2.387 1.00 0.00 C ATOM 536 C VAL A 36 -4.551 -8.145 -3.238 1.00 0.00 C ATOM 537 O VAL A 36 -5.760 -8.064 -3.427 1.00 0.00 O ATOM 538 CB VAL A 36 -3.776 -5.738 -3.083 1.00 0.00 C ATOM 539 CG1 VAL A 36 -5.160 -5.133 -3.166 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.813 -4.794 -2.362 1.00 0.00 C ATOM 0 H VAL A 36 -1.757 -7.098 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.361 -6.995 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.410 -5.885 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.104 -4.163 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.812 -5.794 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.562 -5.005 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.800 -3.830 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.141 -4.657 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.810 -5.222 -2.369 1.00 0.00 H new ATOM 550 N GLN A 37 -3.801 -9.118 -3.735 1.00 0.00 N ATOM 551 CA GLN A 37 -4.376 -10.304 -4.345 1.00 0.00 C ATOM 552 C GLN A 37 -4.913 -11.228 -3.254 1.00 0.00 C ATOM 553 O GLN A 37 -5.905 -11.928 -3.452 1.00 0.00 O ATOM 554 CB GLN A 37 -3.323 -11.027 -5.180 1.00 0.00 C ATOM 555 CG GLN A 37 -3.666 -11.116 -6.664 1.00 0.00 C ATOM 556 CD GLN A 37 -3.987 -9.770 -7.292 1.00 0.00 C ATOM 557 OE1 GLN A 37 -5.143 -9.347 -7.328 1.00 0.00 O ATOM 558 NE2 GLN A 37 -2.967 -9.093 -7.798 1.00 0.00 N ATOM 0 H GLN A 37 -2.781 -9.106 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.196 -10.011 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.368 -10.513 -5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.190 -12.035 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.828 -11.566 -7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.520 -11.781 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.024 -9.478 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.125 -8.186 -8.238 1.00 0.00 H new ATOM 567 N GLN A 38 -4.237 -11.236 -2.102 1.00 0.00 N ATOM 568 CA GLN A 38 -4.742 -11.941 -0.918 1.00 0.00 C ATOM 569 C GLN A 38 -6.095 -11.397 -0.512 1.00 0.00 C ATOM 570 O GLN A 38 -7.091 -12.121 -0.500 1.00 0.00 O ATOM 571 CB GLN A 38 -3.798 -11.804 0.276 1.00 0.00 C ATOM 572 CG GLN A 38 -2.441 -12.404 0.056 1.00 0.00 C ATOM 573 CD GLN A 38 -1.464 -11.845 1.047 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.579 -12.551 1.510 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.617 -10.546 1.349 1.00 0.00 N ATOM 0 H GLN A 38 -3.343 -10.765 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.819 -12.993 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.682 -10.747 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.256 -12.278 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.493 -13.488 0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.102 -12.194 -0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.377 -10.011 0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.974 -10.094 1.999 1.00 0.00 H new ATOM 584 N LEU A 39 -6.122 -10.108 -0.181 1.00 0.00 N ATOM 585 CA LEU A 39 -7.367 -9.451 0.225 1.00 0.00 C ATOM 586 C LEU A 39 -8.292 -9.322 -0.968 1.00 0.00 C ATOM 587 O LEU A 39 -9.500 -9.136 -0.829 1.00 0.00 O ATOM 588 CB LEU A 39 -7.113 -8.057 0.822 1.00 0.00 C ATOM 589 CG LEU A 39 -5.678 -7.545 0.716 1.00 0.00 C ATOM 590 CD1 LEU A 39 -5.628 -6.043 0.914 1.00 0.00 C ATOM 591 CD2 LEU A 39 -4.808 -8.217 1.760 1.00 0.00 C ATOM 0 H LEU A 39 -5.303 -9.499 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.828 -10.070 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.772 -7.344 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.397 -8.075 1.874 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.305 -7.783 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.597 -5.700 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.233 -5.555 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.019 -5.793 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.787 -7.845 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.195 -7.994 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.816 -9.295 1.601 1.00 0.00 H new ATOM 603 N ASN A 40 -7.659 -9.423 -2.138 1.00 0.00 N ATOM 604 CA ASN A 40 -8.311 -9.420 -3.448 1.00 0.00 C ATOM 605 C ASN A 40 -9.387 -8.367 -3.551 1.00 0.00 C ATOM 606 O ASN A 40 -10.443 -8.572 -4.145 1.00 0.00 O ATOM 607 CB ASN A 40 -8.817 -10.813 -3.816 1.00 0.00 C ATOM 608 CG ASN A 40 -9.929 -11.345 -2.922 1.00 0.00 C ATOM 609 OD1 ASN A 40 -11.114 -11.119 -3.177 1.00 0.00 O ATOM 610 ND2 ASN A 40 -9.557 -12.073 -1.880 1.00 0.00 N ATOM 0 H ASN A 40 -6.645 -9.512 -2.201 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.557 -9.147 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.175 -10.794 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.979 -11.509 -3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.261 -12.468 -1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.567 -12.239 -1.701 1.00 0.00 H new ATOM 617 N CYS A 41 -9.068 -7.210 -3.003 1.00 0.00 N ATOM 618 CA CYS A 41 -9.967 -6.071 -3.032 1.00 0.00 C ATOM 619 C CYS A 41 -9.919 -5.392 -4.402 1.00 0.00 C ATOM 620 O CYS A 41 -10.583 -4.380 -4.625 1.00 0.00 O ATOM 621 CB CYS A 41 -9.590 -5.078 -1.925 1.00 0.00 C ATOM 622 SG CYS A 41 -11.020 -4.220 -1.182 1.00 0.00 S ATOM 0 H CYS A 41 -8.183 -7.033 -2.527 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.985 -6.419 -2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.051 -5.610 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.906 -4.335 -2.335 1.00 0.00 H new ATOM 627 N LEU A 42 -9.117 -5.973 -5.308 1.00 0.00 N ATOM 628 CA LEU A 42 -8.958 -5.471 -6.678 1.00 0.00 C ATOM 629 C LEU A 42 -8.510 -4.017 -6.687 1.00 0.00 C ATOM 630 O LEU A 42 -8.752 -3.284 -7.646 1.00 0.00 O ATOM 631 CB LEU A 42 -10.264 -5.627 -7.466 1.00 0.00 C ATOM 632 CG LEU A 42 -10.726 -7.070 -7.687 1.00 0.00 C ATOM 633 CD1 LEU A 42 -12.042 -7.094 -8.449 1.00 0.00 C ATOM 634 CD2 LEU A 42 -9.659 -7.861 -8.433 1.00 0.00 C ATOM 0 H LEU A 42 -8.561 -6.805 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.183 -6.067 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.052 -5.087 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.142 -5.149 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.883 -7.538 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.357 -8.127 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.803 -6.561 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.911 -6.611 -9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.003 -8.885 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.472 -7.396 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.738 -7.869 -7.850 1.00 0.00 H new ATOM 646 N ASN A 43 -7.828 -3.619 -5.622 1.00 0.00 N ATOM 647 CA ASN A 43 -7.469 -2.228 -5.416 1.00 0.00 C ATOM 648 C ASN A 43 -6.496 -2.108 -4.257 1.00 0.00 C ATOM 649 O ASN A 43 -6.836 -2.398 -3.109 1.00 0.00 O ATOM 650 CB ASN A 43 -8.739 -1.408 -5.170 1.00 0.00 C ATOM 651 CG ASN A 43 -8.471 0.066 -4.997 1.00 0.00 C ATOM 652 OD1 ASN A 43 -8.335 0.803 -5.969 1.00 0.00 O ATOM 653 ND2 ASN A 43 -8.421 0.508 -3.756 1.00 0.00 N ATOM 0 H ASN A 43 -7.511 -4.247 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.974 -1.837 -6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.423 -1.550 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.241 -1.786 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.264 1.499 -3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.539 -0.141 -2.978 1.00 0.00 H new ATOM 660 N ARG A 44 -5.285 -1.679 -4.577 1.00 0.00 N ATOM 661 CA ARG A 44 -4.199 -1.624 -3.610 1.00 0.00 C ATOM 662 C ARG A 44 -4.469 -0.571 -2.543 1.00 0.00 C ATOM 663 O ARG A 44 -3.948 -0.654 -1.428 1.00 0.00 O ATOM 664 CB ARG A 44 -2.866 -1.353 -4.318 1.00 0.00 C ATOM 665 CG ARG A 44 -2.385 -2.523 -5.165 1.00 0.00 C ATOM 666 CD ARG A 44 -0.991 -2.290 -5.733 1.00 0.00 C ATOM 667 NE ARG A 44 -0.988 -1.369 -6.870 1.00 0.00 N ATOM 668 CZ ARG A 44 0.117 -0.853 -7.410 1.00 0.00 C ATOM 669 NH1 ARG A 44 1.307 -1.114 -6.871 1.00 0.00 N ATOM 670 NH2 ARG A 44 0.033 -0.071 -8.482 1.00 0.00 N ATOM 0 H ARG A 44 -5.028 -1.360 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.136 -2.592 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.972 -0.473 -4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.107 -1.118 -3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.382 -3.430 -4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.086 -2.689 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.346 -1.894 -4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.566 -3.245 -6.043 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.886 -1.105 -7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.373 -1.709 -6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.152 -0.719 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.878 0.135 -8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.879 0.323 -8.894 1.00 0.00 H new ATOM 684 N ALA A 45 -5.306 0.404 -2.876 1.00 0.00 N ATOM 685 CA ALA A 45 -5.685 1.428 -1.917 1.00 0.00 C ATOM 686 C ALA A 45 -6.593 0.841 -0.839 1.00 0.00 C ATOM 687 O ALA A 45 -6.588 1.292 0.304 1.00 0.00 O ATOM 688 CB ALA A 45 -6.348 2.611 -2.611 1.00 0.00 C ATOM 0 H ALA A 45 -5.732 0.505 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.779 1.796 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.621 3.362 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.654 3.047 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.244 2.272 -3.131 1.00 0.00 H new ATOM 694 N CYS A 46 -7.340 -0.199 -1.202 1.00 0.00 N ATOM 695 CA CYS A 46 -8.215 -0.879 -0.257 1.00 0.00 C ATOM 696 C CYS A 46 -7.362 -1.611 0.758 1.00 0.00 C ATOM 697 O CYS A 46 -7.726 -1.761 1.926 1.00 0.00 O ATOM 698 CB CYS A 46 -9.124 -1.867 -0.994 1.00 0.00 C ATOM 699 SG CYS A 46 -10.195 -2.867 0.088 1.00 0.00 S ATOM 0 H CYS A 46 -7.355 -0.588 -2.145 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.845 -0.149 0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.752 -1.312 -1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.503 -2.537 -1.588 1.00 0.00 H new ATOM 704 N ALA A 47 -6.203 -2.044 0.295 1.00 0.00 N ATOM 705 CA ALA A 47 -5.232 -2.690 1.149 1.00 0.00 C ATOM 706 C ALA A 47 -4.694 -1.699 2.173 1.00 0.00 C ATOM 707 O ALA A 47 -4.952 -1.801 3.358 1.00 0.00 O ATOM 708 CB ALA A 47 -4.103 -3.247 0.310 1.00 0.00 C ATOM 0 H ALA A 47 -5.913 -1.957 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.713 -3.511 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.374 -3.733 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.500 -3.974 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.620 -2.436 -0.235 1.00 0.00 H new ATOM 714 N TYR A 48 -3.985 -0.714 1.695 1.00 0.00 N ATOM 715 CA TYR A 48 -3.420 0.319 2.570 1.00 0.00 C ATOM 716 C TYR A 48 -4.484 0.954 3.499 1.00 0.00 C ATOM 717 O TYR A 48 -4.150 1.424 4.589 1.00 0.00 O ATOM 718 CB TYR A 48 -2.682 1.395 1.754 1.00 0.00 C ATOM 719 CG TYR A 48 -1.176 1.156 1.630 1.00 0.00 C ATOM 720 CD1 TYR A 48 -0.445 0.701 2.723 1.00 0.00 C ATOM 721 CD2 TYR A 48 -0.482 1.386 0.434 1.00 0.00 C ATOM 722 CE1 TYR A 48 0.920 0.486 2.638 1.00 0.00 C ATOM 723 CE2 TYR A 48 0.888 1.172 0.350 1.00 0.00 C ATOM 724 CZ TYR A 48 1.577 0.724 1.452 1.00 0.00 C ATOM 725 OH TYR A 48 2.934 0.522 1.366 1.00 0.00 O ATOM 0 H TYR A 48 -3.775 -0.590 0.705 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.695 -0.177 3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.116 1.441 0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.849 2.367 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.953 0.512 3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.020 1.735 -0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.468 0.133 3.499 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.410 1.357 -0.577 1.00 0.00 H new ATOM 0 HH TYR A 48 3.115 -0.231 0.766 1.00 0.00 H new ATOM 735 N ARG A 49 -5.759 0.938 3.095 1.00 0.00 N ATOM 736 CA ARG A 49 -6.835 1.471 3.942 1.00 0.00 C ATOM 737 C ARG A 49 -7.241 0.489 5.050 1.00 0.00 C ATOM 738 O ARG A 49 -7.442 0.898 6.195 1.00 0.00 O ATOM 739 CB ARG A 49 -8.055 1.853 3.105 1.00 0.00 C ATOM 740 CG ARG A 49 -9.110 2.613 3.898 1.00 0.00 C ATOM 741 CD ARG A 49 -10.141 3.268 2.992 1.00 0.00 C ATOM 742 NE ARG A 49 -10.931 2.293 2.242 1.00 0.00 N ATOM 743 CZ ARG A 49 -11.857 2.625 1.340 1.00 0.00 C ATOM 744 NH1 ARG A 49 -12.127 3.905 1.094 1.00 0.00 N ATOM 745 NH2 ARG A 49 -12.520 1.676 0.696 1.00 0.00 N ATOM 0 H ARG A 49 -6.070 0.567 2.197 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.441 2.367 4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.733 2.464 2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.502 0.949 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.611 1.929 4.583 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.626 3.376 4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.808 3.885 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.634 3.934 2.294 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.765 1.302 2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.625 4.638 1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.836 4.153 0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.322 0.694 0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.228 1.927 0.006 1.00 0.00 H new ATOM 759 N LYS A 50 -7.353 -0.803 4.737 1.00 0.00 N ATOM 760 CA LYS A 50 -7.730 -1.774 5.760 1.00 0.00 C ATOM 761 C LYS A 50 -6.518 -2.056 6.641 1.00 0.00 C ATOM 762 O LYS A 50 -6.662 -2.282 7.832 1.00 0.00 O ATOM 763 CB LYS A 50 -8.288 -3.071 5.158 1.00 0.00 C ATOM 764 CG LYS A 50 -8.840 -4.038 6.199 1.00 0.00 C ATOM 765 CD LYS A 50 -9.243 -5.372 5.583 1.00 0.00 C ATOM 766 CE LYS A 50 -10.390 -5.225 4.592 1.00 0.00 C ATOM 767 NZ LYS A 50 -11.628 -4.707 5.233 1.00 0.00 N ATOM 0 H LYS A 50 -7.192 -1.192 3.808 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.534 -1.349 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.078 -2.822 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.499 -3.569 4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.089 -4.207 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.704 -3.589 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.383 -5.812 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.535 -6.062 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.090 -4.551 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.598 -6.192 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.426 -4.799 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.828 -5.254 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.497 -3.706 5.481 1.00 0.00 H new ATOM 781 N MET A 51 -5.329 -2.087 6.033 1.00 0.00 N ATOM 782 CA MET A 51 -4.074 -1.905 6.774 1.00 0.00 C ATOM 783 C MET A 51 -4.204 -0.799 7.826 1.00 0.00 C ATOM 784 O MET A 51 -3.943 -1.022 9.008 1.00 0.00 O ATOM 785 CB MET A 51 -2.941 -1.553 5.805 1.00 0.00 C ATOM 786 CG MET A 51 -1.647 -1.146 6.489 1.00 0.00 C ATOM 787 SD MET A 51 -0.984 -2.440 7.549 1.00 0.00 S ATOM 788 CE MET A 51 0.450 -1.606 8.224 1.00 0.00 C ATOM 0 H MET A 51 -5.207 -2.236 5.031 1.00 0.00 H new ATOM 0 HA MET A 51 -3.848 -2.842 7.284 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.746 -2.412 5.163 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.270 -0.739 5.158 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.907 -0.887 5.732 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.822 -0.249 7.083 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.861 -2.195 9.044 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.204 -1.492 7.446 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.159 -0.623 8.594 1.00 0.00 H new ATOM 798 N CYS A 52 -4.613 0.388 7.384 1.00 0.00 N ATOM 799 CA CYS A 52 -4.816 1.530 8.275 1.00 0.00 C ATOM 800 C CYS A 52 -5.801 1.185 9.396 1.00 0.00 C ATOM 801 O CYS A 52 -5.615 1.585 10.547 1.00 0.00 O ATOM 802 CB CYS A 52 -5.321 2.734 7.467 1.00 0.00 C ATOM 803 SG CYS A 52 -5.788 4.189 8.462 1.00 0.00 S ATOM 0 H CYS A 52 -4.812 0.586 6.403 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.862 1.784 8.737 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.545 3.030 6.761 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.185 2.422 6.880 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.196 5.140 7.675 1.00 0.00 H new ATOM 808 N ALA A 53 -6.835 0.424 9.057 1.00 0.00 N ATOM 809 CA ALA A 53 -7.825 -0.003 10.037 1.00 0.00 C ATOM 810 C ALA A 53 -7.264 -1.080 10.970 1.00 0.00 C ATOM 811 O ALA A 53 -7.482 -1.040 12.179 1.00 0.00 O ATOM 812 CB ALA A 53 -9.072 -0.512 9.332 1.00 0.00 C ATOM 0 H ALA A 53 -7.009 0.090 8.109 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.087 0.861 10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.806 -0.829 10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.495 0.285 8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.811 -1.358 8.696 1.00 0.00 H new ATOM 818 N THR A 54 -6.548 -2.042 10.400 1.00 0.00 N ATOM 819 CA THR A 54 -5.973 -3.139 11.164 1.00 0.00 C ATOM 820 C THR A 54 -4.757 -3.732 10.437 1.00 0.00 C ATOM 821 O THR A 54 -3.646 -3.680 10.968 1.00 0.00 O ATOM 822 CB THR A 54 -7.040 -4.226 11.488 1.00 0.00 C ATOM 823 OG1 THR A 54 -6.418 -5.459 11.879 1.00 0.00 O ATOM 824 CG2 THR A 54 -7.982 -4.475 10.316 1.00 0.00 C ATOM 0 H THR A 54 -6.351 -2.083 9.400 1.00 0.00 H new ATOM 0 HA THR A 54 -5.625 -2.741 12.117 1.00 0.00 H new ATOM 0 HB THR A 54 -7.631 -3.843 12.320 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.109 -6.125 12.079 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.708 -5.241 10.589 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.505 -3.552 10.067 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.408 -4.811 9.453 1.00 0.00 H new ATOM 832 N ASN A 55 -4.975 -4.262 9.223 1.00 0.00 N ATOM 833 CA ASN A 55 -3.924 -4.806 8.362 1.00 0.00 C ATOM 834 C ASN A 55 -4.572 -5.693 7.312 1.00 0.00 C ATOM 835 O ASN A 55 -5.762 -6.000 7.399 1.00 0.00 O ATOM 836 CB ASN A 55 -2.849 -5.606 9.127 1.00 0.00 C ATOM 837 CG ASN A 55 -3.338 -6.946 9.648 1.00 0.00 C ATOM 838 OD1 ASN A 55 -3.254 -7.964 8.955 1.00 0.00 O ATOM 839 ND2 ASN A 55 -3.828 -6.963 10.877 1.00 0.00 N ATOM 0 H ASN A 55 -5.905 -4.323 8.809 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.406 -3.961 7.907 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.996 -5.772 8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.493 -5.008 9.966 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.153 -7.840 11.284 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.880 -6.099 11.417 1.00 0.00 H new ATOM 846 N ASN A 56 -3.787 -6.095 6.328 1.00 0.00 N ATOM 847 CA ASN A 56 -4.280 -6.871 5.197 1.00 0.00 C ATOM 848 C ASN A 56 -3.137 -7.272 4.297 1.00 0.00 C ATOM 849 O ASN A 56 -2.687 -8.421 4.299 1.00 0.00 O ATOM 850 CB ASN A 56 -5.298 -6.093 4.344 1.00 0.00 C ATOM 851 CG ASN A 56 -5.081 -4.631 4.246 1.00 0.00 C ATOM 852 OD1 ASN A 56 -4.011 -4.107 4.537 1.00 0.00 O ATOM 853 ND2 ASN A 56 -6.083 -3.980 3.723 1.00 0.00 N ATOM 0 H ASN A 56 -2.788 -5.894 6.288 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.772 -7.746 5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.292 -6.509 3.337 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.293 -6.266 4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.000 -2.981 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.950 -4.470 3.502 1.00 0.00 H new ATOM 860 N LEU A 57 -2.684 -6.298 3.520 1.00 0.00 N ATOM 861 CA LEU A 57 -1.599 -6.485 2.571 1.00 0.00 C ATOM 862 C LEU A 57 -0.354 -7.009 3.256 1.00 0.00 C ATOM 863 O LEU A 57 0.491 -7.637 2.619 1.00 0.00 O ATOM 864 CB LEU A 57 -1.286 -5.180 1.825 1.00 0.00 C ATOM 865 CG LEU A 57 -1.523 -3.854 2.577 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.787 -3.807 3.909 1.00 0.00 C ATOM 867 CD2 LEU A 57 -1.084 -2.686 1.708 1.00 0.00 C ATOM 0 H LEU A 57 -3.062 -5.351 3.532 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.927 -7.228 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.240 -5.210 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.885 -5.162 0.914 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.590 -3.784 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.985 -2.855 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.133 -4.622 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.284 -3.911 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.253 -1.751 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.024 -2.784 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.660 -2.684 0.783 1.00 0.00 H new ATOM 879 N GLU A 58 -0.298 -6.785 4.565 1.00 0.00 N ATOM 880 CA GLU A 58 0.823 -7.174 5.406 1.00 0.00 C ATOM 881 C GLU A 58 1.369 -8.535 5.021 1.00 0.00 C ATOM 882 O GLU A 58 2.572 -8.713 4.884 1.00 0.00 O ATOM 883 CB GLU A 58 0.369 -7.200 6.848 1.00 0.00 C ATOM 884 CG GLU A 58 0.054 -5.829 7.410 1.00 0.00 C ATOM 885 CD GLU A 58 1.306 -5.099 7.860 1.00 0.00 C ATOM 886 OE1 GLU A 58 2.244 -4.963 7.049 1.00 0.00 O ATOM 887 OE2 GLU A 58 1.382 -4.706 9.044 1.00 0.00 O ATOM 0 H GLU A 58 -1.046 -6.319 5.078 1.00 0.00 H new ATOM 0 HA GLU A 58 1.623 -6.446 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.517 -7.829 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.146 -7.663 7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.459 -5.236 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.629 -5.931 8.253 1.00 0.00 H new ATOM 894 N GLN A 59 0.451 -9.456 4.786 1.00 0.00 N ATOM 895 CA GLN A 59 0.767 -10.852 4.550 1.00 0.00 C ATOM 896 C GLN A 59 1.826 -11.065 3.448 1.00 0.00 C ATOM 897 O GLN A 59 2.997 -11.348 3.739 1.00 0.00 O ATOM 898 CB GLN A 59 -0.537 -11.551 4.195 1.00 0.00 C ATOM 899 CG GLN A 59 -1.519 -11.642 5.347 1.00 0.00 C ATOM 900 CD GLN A 59 -2.893 -12.090 4.889 1.00 0.00 C ATOM 901 OE1 GLN A 59 -3.193 -13.282 4.855 1.00 0.00 O ATOM 902 NE2 GLN A 59 -3.735 -11.133 4.516 1.00 0.00 N ATOM 0 H GLN A 59 -0.548 -9.252 4.753 1.00 0.00 H new ATOM 0 HA GLN A 59 1.213 -11.271 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.009 -11.020 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.314 -12.557 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.140 -12.341 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.598 -10.670 5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.447 -10.155 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.669 -11.376 4.186 1.00 0.00 H new ATOM 911 N ALA A 60 1.451 -10.819 2.203 1.00 0.00 N ATOM 912 CA ALA A 60 2.293 -11.189 1.072 1.00 0.00 C ATOM 913 C ALA A 60 3.369 -10.170 0.828 1.00 0.00 C ATOM 914 O ALA A 60 4.497 -10.514 0.486 1.00 0.00 O ATOM 915 CB ALA A 60 1.469 -11.350 -0.181 1.00 0.00 C ATOM 0 H ALA A 60 0.573 -10.367 1.948 1.00 0.00 H new ATOM 0 HA ALA A 60 2.763 -12.140 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.119 -11.626 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.724 -12.131 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.968 -10.410 -0.410 1.00 0.00 H new ATOM 921 N MET A 61 3.010 -8.911 0.974 1.00 0.00 N ATOM 922 CA MET A 61 3.956 -7.850 0.745 1.00 0.00 C ATOM 923 C MET A 61 5.156 -7.985 1.692 1.00 0.00 C ATOM 924 O MET A 61 6.289 -7.812 1.262 1.00 0.00 O ATOM 925 CB MET A 61 3.279 -6.483 0.883 1.00 0.00 C ATOM 926 CG MET A 61 2.915 -6.114 2.309 1.00 0.00 C ATOM 927 SD MET A 61 2.234 -4.455 2.458 1.00 0.00 S ATOM 928 CE MET A 61 2.624 -4.070 4.162 1.00 0.00 C ATOM 0 H MET A 61 2.077 -8.604 1.248 1.00 0.00 H new ATOM 0 HA MET A 61 4.330 -7.930 -0.276 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.943 -5.718 0.479 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.375 -6.474 0.274 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.190 -6.833 2.690 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.803 -6.193 2.936 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.910 -3.021 4.242 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.750 -4.256 4.786 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.449 -4.698 4.497 1.00 0.00 H new ATOM 938 N SER A 62 4.915 -8.340 2.962 1.00 0.00 N ATOM 939 CA SER A 62 6.021 -8.515 3.910 1.00 0.00 C ATOM 940 C SER A 62 6.780 -9.803 3.602 1.00 0.00 C ATOM 941 O SER A 62 7.967 -9.919 3.897 1.00 0.00 O ATOM 942 CB SER A 62 5.533 -8.542 5.358 1.00 0.00 C ATOM 943 OG SER A 62 4.790 -9.718 5.631 1.00 0.00 O ATOM 0 H SER A 62 3.986 -8.508 3.349 1.00 0.00 H new ATOM 0 HA SER A 62 6.685 -7.659 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.387 -8.485 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.914 -7.666 5.552 1.00 0.00 H new ATOM 0 HG SER A 62 3.840 -9.553 5.456 1.00 0.00 H new ATOM 949 N VAL A 63 6.078 -10.791 3.040 1.00 0.00 N ATOM 950 CA VAL A 63 6.749 -11.990 2.546 1.00 0.00 C ATOM 951 C VAL A 63 7.732 -11.629 1.427 1.00 0.00 C ATOM 952 O VAL A 63 8.849 -12.143 1.375 1.00 0.00 O ATOM 953 CB VAL A 63 5.738 -13.045 2.037 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.446 -14.179 1.309 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.926 -13.598 3.194 1.00 0.00 C ATOM 0 H VAL A 63 5.065 -10.784 2.918 1.00 0.00 H new ATOM 0 HA VAL A 63 7.296 -12.425 3.382 1.00 0.00 H new ATOM 0 HB VAL A 63 5.067 -12.554 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.710 -14.905 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.991 -13.778 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.145 -14.667 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.219 -14.339 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.594 -14.066 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.381 -12.787 3.676 1.00 0.00 H new ATOM 965 N TYR A 64 7.314 -10.723 0.553 1.00 0.00 N ATOM 966 CA TYR A 64 8.139 -10.293 -0.572 1.00 0.00 C ATOM 967 C TYR A 64 9.225 -9.304 -0.150 1.00 0.00 C ATOM 968 O TYR A 64 10.413 -9.626 -0.188 1.00 0.00 O ATOM 969 CB TYR A 64 7.266 -9.674 -1.667 1.00 0.00 C ATOM 970 CG TYR A 64 6.971 -10.617 -2.806 1.00 0.00 C ATOM 971 CD1 TYR A 64 5.937 -11.539 -2.724 1.00 0.00 C ATOM 972 CD2 TYR A 64 7.739 -10.591 -3.964 1.00 0.00 C ATOM 973 CE1 TYR A 64 5.675 -12.406 -3.764 1.00 0.00 C ATOM 974 CE2 TYR A 64 7.481 -11.454 -5.010 1.00 0.00 C ATOM 975 CZ TYR A 64 6.449 -12.360 -4.903 1.00 0.00 C ATOM 976 OH TYR A 64 6.190 -13.226 -5.938 1.00 0.00 O ATOM 0 H TYR A 64 6.402 -10.268 0.601 1.00 0.00 H new ATOM 0 HA TYR A 64 8.637 -11.181 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.325 -9.343 -1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.764 -8.787 -2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.329 -11.578 -1.833 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.551 -9.884 -4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.867 -13.118 -3.686 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.084 -11.419 -5.905 1.00 0.00 H new ATOM 0 HH TYR A 64 6.825 -13.064 -6.667 1.00 0.00 H new ATOM 986 N PHE A 65 8.823 -8.105 0.249 1.00 0.00 N ATOM 987 CA PHE A 65 9.783 -7.063 0.585 1.00 0.00 C ATOM 988 C PHE A 65 10.178 -7.151 2.055 1.00 0.00 C ATOM 989 O PHE A 65 9.475 -7.760 2.860 1.00 0.00 O ATOM 990 CB PHE A 65 9.221 -5.663 0.245 1.00 0.00 C ATOM 991 CG PHE A 65 7.957 -5.277 0.957 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.864 -5.342 2.336 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.861 -4.837 0.241 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.711 -4.980 2.984 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.703 -4.465 0.886 1.00 0.00 C ATOM 996 CZ PHE A 65 5.632 -4.538 2.262 1.00 0.00 C ATOM 0 H PHE A 65 7.845 -7.831 0.347 1.00 0.00 H new ATOM 0 HA PHE A 65 10.678 -7.218 -0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.985 -4.920 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.040 -5.616 -0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.712 -5.683 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.913 -4.784 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.653 -5.043 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.853 -4.117 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.725 -4.247 2.771 1.00 0.00 H new ATOM 1006 N THR A 66 11.302 -6.556 2.402 1.00 0.00 N ATOM 1007 CA THR A 66 11.737 -6.506 3.786 1.00 0.00 C ATOM 1008 C THR A 66 11.166 -5.282 4.499 1.00 0.00 C ATOM 1009 O THR A 66 10.515 -4.444 3.872 1.00 0.00 O ATOM 1010 CB THR A 66 13.270 -6.505 3.883 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.820 -5.684 2.842 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.818 -7.920 3.779 1.00 0.00 C ATOM 0 H THR A 66 11.933 -6.099 1.744 1.00 0.00 H new ATOM 0 HA THR A 66 11.359 -7.401 4.280 1.00 0.00 H new ATOM 0 HB THR A 66 13.558 -6.099 4.853 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.798 -5.684 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.905 -7.895 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.415 -8.527 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.527 -8.354 2.822 1.00 0.00 H new ATOM 1020 N ASN A 67 11.403 -5.166 5.797 1.00 0.00 N ATOM 1021 CA ASN A 67 10.849 -4.058 6.567 1.00 0.00 C ATOM 1022 C ASN A 67 11.443 -2.730 6.106 1.00 0.00 C ATOM 1023 O ASN A 67 10.730 -1.740 5.952 1.00 0.00 O ATOM 1024 CB ASN A 67 11.099 -4.256 8.062 1.00 0.00 C ATOM 1025 CG ASN A 67 10.332 -3.260 8.911 1.00 0.00 C ATOM 1026 OD1 ASN A 67 10.799 -2.151 9.171 1.00 0.00 O ATOM 1027 ND2 ASN A 67 9.155 -3.656 9.369 1.00 0.00 N ATOM 0 H ASN A 67 11.970 -5.819 6.338 1.00 0.00 H new ATOM 0 HA ASN A 67 9.773 -4.036 6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.812 -5.269 8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.165 -4.159 8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.602 -3.034 9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.801 -4.583 9.132 1.00 0.00 H new ATOM 1034 N GLU A 68 12.748 -2.722 5.871 1.00 0.00 N ATOM 1035 CA GLU A 68 13.424 -1.543 5.340 1.00 0.00 C ATOM 1036 C GLU A 68 12.856 -1.174 3.970 1.00 0.00 C ATOM 1037 O GLU A 68 12.705 0.005 3.633 1.00 0.00 O ATOM 1038 CB GLU A 68 14.932 -1.803 5.263 1.00 0.00 C ATOM 1039 CG GLU A 68 15.307 -3.091 4.543 1.00 0.00 C ATOM 1040 CD GLU A 68 16.698 -3.570 4.909 1.00 0.00 C ATOM 1041 OE1 GLU A 68 16.838 -4.236 5.958 1.00 0.00 O ATOM 1042 OE2 GLU A 68 17.655 -3.286 4.156 1.00 0.00 O ATOM 0 H GLU A 68 13.362 -3.519 6.040 1.00 0.00 H new ATOM 0 HA GLU A 68 13.253 -0.699 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.409 -0.964 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.336 -1.835 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.582 -3.867 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.251 -2.932 3.466 1.00 0.00 H new ATOM 1049 N GLN A 69 12.501 -2.200 3.210 1.00 0.00 N ATOM 1050 CA GLN A 69 11.905 -2.027 1.896 1.00 0.00 C ATOM 1051 C GLN A 69 10.561 -1.312 2.007 1.00 0.00 C ATOM 1052 O GLN A 69 10.244 -0.424 1.215 1.00 0.00 O ATOM 1053 CB GLN A 69 11.703 -3.396 1.254 1.00 0.00 C ATOM 1054 CG GLN A 69 12.276 -3.521 -0.147 1.00 0.00 C ATOM 1055 CD GLN A 69 11.498 -2.721 -1.163 1.00 0.00 C ATOM 1056 OE1 GLN A 69 12.049 -2.255 -2.156 1.00 0.00 O ATOM 1057 NE2 GLN A 69 10.202 -2.563 -0.928 1.00 0.00 N ATOM 0 H GLN A 69 12.618 -3.174 3.488 1.00 0.00 H new ATOM 0 HA GLN A 69 12.571 -1.421 1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.161 -4.154 1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.635 -3.613 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.313 -3.186 -0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.281 -4.570 -0.442 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.783 -2.967 -0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.625 -2.038 -1.585 1.00 0.00 H new ATOM 1066 N ILE A 70 9.765 -1.713 2.986 1.00 0.00 N ATOM 1067 CA ILE A 70 8.456 -1.116 3.178 1.00 0.00 C ATOM 1068 C ILE A 70 8.546 0.160 4.018 1.00 0.00 C ATOM 1069 O ILE A 70 7.589 0.920 4.110 1.00 0.00 O ATOM 1070 CB ILE A 70 7.439 -2.130 3.757 1.00 0.00 C ATOM 1071 CG1 ILE A 70 6.033 -1.530 3.841 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.865 -2.664 5.111 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.557 -0.960 2.529 1.00 0.00 C ATOM 0 H ILE A 70 10.002 -2.445 3.655 1.00 0.00 H new ATOM 0 HA ILE A 70 8.079 -0.828 2.197 1.00 0.00 H new ATOM 0 HB ILE A 70 7.416 -2.970 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.335 -2.299 4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.023 -0.745 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.119 -3.371 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.827 -3.168 5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.955 -1.838 5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.555 -0.550 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.236 -0.170 2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.536 -1.748 1.776 1.00 0.00 H new ATOM 1085 N LYS A 71 9.703 0.411 4.616 1.00 0.00 N ATOM 1086 CA LYS A 71 9.997 1.747 5.109 1.00 0.00 C ATOM 1087 C LYS A 71 9.981 2.697 3.923 1.00 0.00 C ATOM 1088 O LYS A 71 9.319 3.740 3.939 1.00 0.00 O ATOM 1089 CB LYS A 71 11.361 1.814 5.805 1.00 0.00 C ATOM 1090 CG LYS A 71 11.362 1.322 7.243 1.00 0.00 C ATOM 1091 CD LYS A 71 12.696 1.615 7.910 1.00 0.00 C ATOM 1092 CE LYS A 71 12.648 1.384 9.412 1.00 0.00 C ATOM 1093 NZ LYS A 71 12.410 -0.039 9.759 1.00 0.00 N ATOM 0 H LYS A 71 10.439 -0.278 4.769 1.00 0.00 H new ATOM 0 HA LYS A 71 9.245 2.024 5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.076 1.223 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.713 2.845 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.558 1.805 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.166 0.250 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.467 0.982 7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.981 2.648 7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.588 1.711 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.859 1.998 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.284 -0.129 10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.553 -0.376 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.225 -0.611 9.458 1.00 0.00 H new ATOM 1107 N GLU A 72 10.687 2.287 2.875 1.00 0.00 N ATOM 1108 CA GLU A 72 10.731 3.041 1.635 1.00 0.00 C ATOM 1109 C GLU A 72 9.338 3.216 1.044 1.00 0.00 C ATOM 1110 O GLU A 72 8.914 4.339 0.807 1.00 0.00 O ATOM 1111 CB GLU A 72 11.646 2.352 0.628 1.00 0.00 C ATOM 1112 CG GLU A 72 13.096 2.311 1.067 1.00 0.00 C ATOM 1113 CD GLU A 72 13.973 1.538 0.110 1.00 0.00 C ATOM 1114 OE1 GLU A 72 13.930 1.818 -1.105 1.00 0.00 O ATOM 1115 OE2 GLU A 72 14.712 0.642 0.567 1.00 0.00 O ATOM 0 H GLU A 72 11.239 1.430 2.864 1.00 0.00 H new ATOM 0 HA GLU A 72 11.129 4.030 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.294 1.333 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.578 2.870 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.473 3.330 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.159 1.859 2.057 1.00 0.00 H new ATOM 1122 N ILE A 73 8.617 2.112 0.822 1.00 0.00 N ATOM 1123 CA ILE A 73 7.286 2.199 0.216 1.00 0.00 C ATOM 1124 C ILE A 73 6.311 2.935 1.129 1.00 0.00 C ATOM 1125 O ILE A 73 5.371 3.544 0.650 1.00 0.00 O ATOM 1126 CB ILE A 73 6.661 0.830 -0.158 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.575 0.024 -1.045 1.00 0.00 C ATOM 1128 CG2 ILE A 73 5.338 1.043 -0.873 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.166 -1.422 -1.187 1.00 0.00 C ATOM 0 H ILE A 73 8.925 1.166 1.048 1.00 0.00 H new ATOM 0 HA ILE A 73 7.447 2.751 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 73 6.504 0.277 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.604 0.482 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.587 0.068 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.905 0.077 -1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.654 1.583 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.504 1.622 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.871 -1.937 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.165 -1.898 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.166 -1.477 -1.618 1.00 0.00 H new ATOM 1141 N HIS A 74 6.518 2.887 2.439 1.00 0.00 N ATOM 1142 CA HIS A 74 5.619 3.602 3.338 1.00 0.00 C ATOM 1143 C HIS A 74 5.721 5.099 3.094 1.00 0.00 C ATOM 1144 O HIS A 74 4.714 5.760 2.848 1.00 0.00 O ATOM 1145 CB HIS A 74 5.896 3.295 4.811 1.00 0.00 C ATOM 1146 CG HIS A 74 4.900 3.940 5.730 1.00 0.00 C ATOM 1147 ND1 HIS A 74 5.211 4.992 6.561 1.00 0.00 N ATOM 1148 CD2 HIS A 74 3.581 3.693 5.921 1.00 0.00 C ATOM 1149 CE1 HIS A 74 4.131 5.365 7.222 1.00 0.00 C ATOM 1150 NE2 HIS A 74 3.127 4.593 6.852 1.00 0.00 N ATOM 0 H HIS A 74 7.276 2.377 2.893 1.00 0.00 H new ATOM 0 HA HIS A 74 4.608 3.258 3.120 1.00 0.00 H new ATOM 0 HB2 HIS A 74 5.880 2.216 4.963 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.898 3.638 5.068 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.996 2.929 5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.078 6.167 7.944 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.170 4.655 7.201 1.00 0.00 H new ATOM 1159 N ASP A 75 6.937 5.628 3.130 1.00 0.00 N ATOM 1160 CA ASP A 75 7.140 7.046 2.880 1.00 0.00 C ATOM 1161 C ASP A 75 6.824 7.340 1.420 1.00 0.00 C ATOM 1162 O ASP A 75 6.360 8.419 1.062 1.00 0.00 O ATOM 1163 CB ASP A 75 8.579 7.437 3.199 1.00 0.00 C ATOM 1164 CG ASP A 75 8.699 8.874 3.666 1.00 0.00 C ATOM 1165 OD1 ASP A 75 7.653 9.531 3.858 1.00 0.00 O ATOM 1166 OD2 ASP A 75 9.839 9.334 3.883 1.00 0.00 O ATOM 0 H ASP A 75 7.788 5.102 3.328 1.00 0.00 H new ATOM 0 HA ASP A 75 6.478 7.629 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.970 6.774 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.196 7.294 2.312 1.00 0.00 H new ATOM 1171 N ALA A 76 7.053 6.336 0.589 1.00 0.00 N ATOM 1172 CA ALA A 76 6.759 6.408 -0.829 1.00 0.00 C ATOM 1173 C ALA A 76 5.266 6.497 -1.095 1.00 0.00 C ATOM 1174 O ALA A 76 4.831 7.174 -2.012 1.00 0.00 O ATOM 1175 CB ALA A 76 7.303 5.187 -1.523 1.00 0.00 C ATOM 0 H ALA A 76 7.450 5.444 0.883 1.00 0.00 H new ATOM 0 HA ALA A 76 7.231 7.312 -1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.080 5.245 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.382 5.138 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.841 4.294 -1.103 1.00 0.00 H new ATOM 1181 N ALA A 77 4.486 5.794 -0.308 1.00 0.00 N ATOM 1182 CA ALA A 77 3.061 5.713 -0.549 1.00 0.00 C ATOM 1183 C ALA A 77 2.302 6.749 0.265 1.00 0.00 C ATOM 1184 O ALA A 77 1.105 6.936 0.082 1.00 0.00 O ATOM 1185 CB ALA A 77 2.564 4.302 -0.266 1.00 0.00 C ATOM 0 H ALA A 77 4.812 5.270 0.504 1.00 0.00 H new ATOM 0 HA ALA A 77 2.873 5.937 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.491 4.250 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.078 3.597 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.766 4.047 0.774 1.00 0.00 H new ATOM 1191 N THR A 78 2.997 7.410 1.172 1.00 0.00 N ATOM 1192 CA THR A 78 2.428 8.549 1.870 1.00 0.00 C ATOM 1193 C THR A 78 2.842 9.860 1.190 1.00 0.00 C ATOM 1194 O THR A 78 2.006 10.717 0.900 1.00 0.00 O ATOM 1195 CB THR A 78 2.854 8.567 3.352 1.00 0.00 C ATOM 1196 OG1 THR A 78 2.484 7.332 3.983 1.00 0.00 O ATOM 1197 CG2 THR A 78 2.207 9.726 4.097 1.00 0.00 C ATOM 0 H THR A 78 3.953 7.179 1.442 1.00 0.00 H new ATOM 0 HA THR A 78 1.343 8.454 1.827 1.00 0.00 H new ATOM 0 HB THR A 78 3.936 8.692 3.388 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.612 7.039 3.644 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.526 9.712 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.508 10.667 3.638 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.122 9.629 4.049 1.00 0.00 H new ATOM 1205 N ALA A 79 4.140 10.003 0.929 1.00 0.00 N ATOM 1206 CA ALA A 79 4.680 11.229 0.347 1.00 0.00 C ATOM 1207 C ALA A 79 4.849 11.139 -1.171 1.00 0.00 C ATOM 1208 O ALA A 79 5.004 12.165 -1.835 1.00 0.00 O ATOM 1209 CB ALA A 79 6.012 11.574 0.998 1.00 0.00 C ATOM 0 H ALA A 79 4.838 9.283 1.112 1.00 0.00 H new ATOM 0 HA ALA A 79 3.955 12.019 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.406 12.490 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.867 11.720 2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.718 10.760 0.835 1.00 0.00 H new ATOM 1215 N CYS A 80 4.794 9.912 -1.709 1.00 0.00 N ATOM 1216 CA CYS A 80 5.136 9.636 -3.113 1.00 0.00 C ATOM 1217 C CYS A 80 6.653 9.701 -3.304 1.00 0.00 C ATOM 1218 O CYS A 80 7.150 10.080 -4.365 1.00 0.00 O ATOM 1219 CB CYS A 80 4.421 10.588 -4.080 1.00 0.00 C ATOM 1220 SG CYS A 80 2.716 10.115 -4.526 1.00 0.00 S ATOM 0 H CYS A 80 4.512 9.084 -1.185 1.00 0.00 H new ATOM 0 HA CYS A 80 4.790 8.630 -3.348 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.399 11.583 -3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.011 10.661 -4.994 1.00 0.00 H new ATOM 1225 N ASP A 81 7.379 9.302 -2.262 1.00 0.00 N ATOM 1226 CA ASP A 81 8.842 9.364 -2.250 1.00 0.00 C ATOM 1227 C ASP A 81 9.460 7.977 -2.098 1.00 0.00 C ATOM 1228 O ASP A 81 9.939 7.631 -1.021 1.00 0.00 O ATOM 1229 CB ASP A 81 9.317 10.235 -1.081 1.00 0.00 C ATOM 1230 CG ASP A 81 9.085 11.717 -1.297 1.00 0.00 C ATOM 1231 OD1 ASP A 81 7.956 12.113 -1.641 1.00 0.00 O ATOM 1232 OD2 ASP A 81 10.041 12.497 -1.125 1.00 0.00 O ATOM 0 H ASP A 81 6.973 8.928 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 81 9.159 9.791 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.801 9.923 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.381 10.062 -0.918 1.00 0.00 H new