USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 601 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 31 HIS : no HD1:sc= -12.3! C(o=-19!,f=-23!) USER MOD Set 1.2: A 57 GLN : amide:sc= -6.36! C(o=-19!,f=-21!) USER MOD Set 2.1: A 33 MET CE :methyl -151:sc= -3.88! (180deg=-0.583) USER MOD Set 2.2: A 94 MET CE :methyl 132:sc= -19.2! (180deg=-28!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 24 ASN : amide:sc=-0.00925 X(o=-0.0093,f=-0.041) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.611 K(o=-0.61,f=-2.4!) USER MOD Single : A 34 GLN : amide:sc= -4.71! C(o=-4.7!,f=-4.9!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 65 ASN : amide:sc= -0.0499 K(o=-0.05,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot -100:sc= 0.384 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 74 MET CE :methyl -112:sc= -6.81! (180deg=-12.9!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.42) USER MOD Single : A 80 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.74) USER MOD Single : A 82 MET CE :methyl -162:sc= -0.507 (180deg=-1.33) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0373 F(o=-0.68,f=-0.037) USER MOD Single : A 85 GLN : amide:sc= -1 K(o=-1,f=-4) USER MOD Single : A 86 CYS SG : rot -7:sc= 0.603 USER MOD Single : A 90 GLN : amide:sc=-0.00436 K(o=-0.0044,f=-1.5!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 GLN : amide:sc= -1.76! C(o=-1.8!,f=-4.5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -33:sc= 0.997 USER MOD Single : A 107 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.86) USER MOD Single : A 108 GLN : amide:sc= -0.654 K(o=-0.65,f=-1.6!) USER MOD Single : A 110 ASN : amide:sc= -2.82! C(o=-2.8!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 217 N SER A 15 -41.559 -10.302 15.982 1.00 0.00 N ATOM 218 CA SER A 15 -41.155 -11.696 15.641 1.00 0.00 C ATOM 219 C SER A 15 -42.112 -12.264 14.592 1.00 0.00 C ATOM 220 O SER A 15 -41.918 -13.350 14.085 1.00 0.00 O ATOM 221 CB SER A 15 -41.207 -12.563 16.901 1.00 0.00 C ATOM 222 OG SER A 15 -42.557 -12.893 17.192 1.00 0.00 O ATOM 0 HA SER A 15 -40.141 -11.693 15.242 1.00 0.00 H new ATOM 0 HB2 SER A 15 -40.623 -13.471 16.755 1.00 0.00 H new ATOM 0 HB3 SER A 15 -40.762 -12.030 17.741 1.00 0.00 H new ATOM 0 HG SER A 15 -42.591 -13.450 17.998 1.00 0.00 H new ATOM 228 N CYS A 16 -43.145 -11.538 14.261 1.00 0.00 N ATOM 229 CA CYS A 16 -44.112 -12.040 13.245 1.00 0.00 C ATOM 230 C CYS A 16 -43.348 -12.545 12.021 1.00 0.00 C ATOM 231 O CYS A 16 -43.755 -13.484 11.366 1.00 0.00 O ATOM 232 CB CYS A 16 -45.049 -10.904 12.828 1.00 0.00 C ATOM 233 SG CYS A 16 -46.390 -11.573 11.812 1.00 0.00 S ATOM 0 H CYS A 16 -43.361 -10.620 14.650 1.00 0.00 H new ATOM 0 HA CYS A 16 -44.696 -12.856 13.671 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -45.457 -10.412 13.711 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -44.497 -10.149 12.269 1.00 0.00 H new ATOM 238 N GLU A 17 -42.241 -11.930 11.705 1.00 0.00 N ATOM 239 CA GLU A 17 -41.451 -12.376 10.523 1.00 0.00 C ATOM 240 C GLU A 17 -41.355 -13.904 10.526 1.00 0.00 C ATOM 241 O GLU A 17 -41.611 -14.553 9.531 1.00 0.00 O ATOM 242 CB GLU A 17 -40.047 -11.774 10.590 1.00 0.00 C ATOM 243 CG GLU A 17 -39.363 -11.923 9.230 1.00 0.00 C ATOM 244 CD GLU A 17 -37.991 -11.247 9.273 1.00 0.00 C ATOM 245 OE1 GLU A 17 -37.668 -10.671 10.298 1.00 0.00 O ATOM 246 OE2 GLU A 17 -37.287 -11.318 8.279 1.00 0.00 O ATOM 0 H GLU A 17 -41.850 -11.138 12.215 1.00 0.00 H new ATOM 0 HA GLU A 17 -41.942 -12.044 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -40.104 -10.721 10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -39.461 -12.275 11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -39.253 -12.978 8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -39.978 -11.473 8.450 1.00 0.00 H new ATOM 253 N ARG A 18 -40.988 -14.483 11.637 1.00 0.00 N ATOM 254 CA ARG A 18 -40.877 -15.968 11.702 1.00 0.00 C ATOM 255 C ARG A 18 -42.236 -16.594 11.385 1.00 0.00 C ATOM 256 O ARG A 18 -42.325 -17.732 10.968 1.00 0.00 O ATOM 257 CB ARG A 18 -40.439 -16.387 13.106 1.00 0.00 C ATOM 258 CG ARG A 18 -39.105 -15.719 13.446 1.00 0.00 C ATOM 259 CD ARG A 18 -38.606 -16.238 14.795 1.00 0.00 C ATOM 260 NE ARG A 18 -37.362 -15.511 15.177 1.00 0.00 N ATOM 261 CZ ARG A 18 -36.459 -15.247 14.274 1.00 0.00 C ATOM 262 NH1 ARG A 18 -36.489 -14.110 13.634 1.00 0.00 N ATOM 263 NH2 ARG A 18 -35.527 -16.121 14.009 1.00 0.00 N ATOM 0 H ARG A 18 -40.760 -13.992 12.502 1.00 0.00 H new ATOM 0 HA ARG A 18 -40.140 -16.309 10.975 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -41.197 -16.101 13.835 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -40.339 -17.471 13.159 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -38.371 -15.931 12.668 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -39.227 -14.636 13.483 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -39.372 -16.096 15.557 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -38.411 -17.309 14.735 1.00 0.00 H new ATOM 0 HE ARG A 18 -37.217 -15.220 16.144 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -37.219 -13.428 13.840 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -35.783 -13.904 12.928 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -35.505 -17.010 14.508 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -34.821 -15.915 13.303 1.00 0.00 H new ATOM 277 N GLN A 19 -43.297 -15.860 11.579 1.00 0.00 N ATOM 278 CA GLN A 19 -44.649 -16.413 11.288 1.00 0.00 C ATOM 279 C GLN A 19 -44.905 -16.363 9.782 1.00 0.00 C ATOM 280 O GLN A 19 -45.780 -17.031 9.269 1.00 0.00 O ATOM 281 CB GLN A 19 -45.709 -15.581 12.014 1.00 0.00 C ATOM 282 CG GLN A 19 -47.083 -16.225 11.820 1.00 0.00 C ATOM 283 CD GLN A 19 -48.149 -15.369 12.506 1.00 0.00 C ATOM 284 OE1 GLN A 19 -48.300 -14.204 12.199 1.00 0.00 O ATOM 285 NE2 GLN A 19 -48.901 -15.903 13.430 1.00 0.00 N ATOM 0 H GLN A 19 -43.286 -14.901 11.927 1.00 0.00 H new ATOM 0 HA GLN A 19 -44.701 -17.446 11.632 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -45.472 -15.517 13.076 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -45.715 -14.562 11.627 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -47.306 -16.319 10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -47.086 -17.232 12.237 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -48.774 -16.882 13.688 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -49.615 -15.342 13.894 1.00 0.00 H new ATOM 294 N VAL A 20 -44.145 -15.578 9.068 1.00 0.00 N ATOM 295 CA VAL A 20 -44.344 -15.490 7.595 1.00 0.00 C ATOM 296 C VAL A 20 -43.738 -16.726 6.929 1.00 0.00 C ATOM 297 O VAL A 20 -44.290 -17.274 5.996 1.00 0.00 O ATOM 298 CB VAL A 20 -43.658 -14.232 7.059 1.00 0.00 C ATOM 299 CG1 VAL A 20 -43.836 -14.165 5.540 1.00 0.00 C ATOM 300 CG2 VAL A 20 -44.286 -12.994 7.700 1.00 0.00 C ATOM 0 H VAL A 20 -43.396 -14.995 9.441 1.00 0.00 H new ATOM 0 HA VAL A 20 -45.410 -15.441 7.373 1.00 0.00 H new ATOM 0 HB VAL A 20 -42.596 -14.266 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -43.348 -13.269 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -43.388 -15.047 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -44.899 -14.131 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -43.797 -12.098 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -45.348 -12.958 7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -44.161 -13.042 8.782 1.00 0.00 H new ATOM 310 N ASP A 21 -42.605 -17.171 7.402 1.00 0.00 N ATOM 311 CA ASP A 21 -41.970 -18.374 6.795 1.00 0.00 C ATOM 312 C ASP A 21 -42.981 -19.522 6.775 1.00 0.00 C ATOM 313 O ASP A 21 -42.865 -20.453 6.004 1.00 0.00 O ATOM 314 CB ASP A 21 -40.750 -18.783 7.623 1.00 0.00 C ATOM 315 CG ASP A 21 -39.634 -17.755 7.427 1.00 0.00 C ATOM 316 OD1 ASP A 21 -39.781 -16.908 6.560 1.00 0.00 O ATOM 317 OD2 ASP A 21 -38.651 -17.833 8.145 1.00 0.00 O ATOM 0 H ASP A 21 -42.094 -16.754 8.180 1.00 0.00 H new ATOM 0 HA ASP A 21 -41.655 -18.145 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -41.018 -18.848 8.678 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -40.406 -19.772 7.320 1.00 0.00 H new ATOM 322 N ARG A 22 -43.976 -19.457 7.617 1.00 0.00 N ATOM 323 CA ARG A 22 -44.998 -20.541 7.645 1.00 0.00 C ATOM 324 C ARG A 22 -46.142 -20.184 6.694 1.00 0.00 C ATOM 325 O ARG A 22 -47.044 -20.966 6.470 1.00 0.00 O ATOM 326 CB ARG A 22 -45.544 -20.689 9.067 1.00 0.00 C ATOM 327 CG ARG A 22 -44.424 -21.161 9.997 1.00 0.00 C ATOM 328 CD ARG A 22 -44.999 -21.443 11.387 1.00 0.00 C ATOM 329 NE ARG A 22 -45.688 -20.224 11.898 1.00 0.00 N ATOM 330 CZ ARG A 22 -45.863 -20.062 13.180 1.00 0.00 C ATOM 331 NH1 ARG A 22 -44.978 -19.410 13.883 1.00 0.00 N ATOM 332 NH2 ARG A 22 -46.924 -20.554 13.761 1.00 0.00 N ATOM 0 H ARG A 22 -44.125 -18.701 8.286 1.00 0.00 H new ATOM 0 HA ARG A 22 -44.543 -21.480 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -45.943 -19.737 9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -46.367 -21.404 9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -43.958 -22.061 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -43.646 -20.401 10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -45.700 -22.277 11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -44.201 -21.736 12.070 1.00 0.00 H new ATOM 0 HE ARG A 22 -46.023 -19.516 11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -44.149 -19.027 13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -45.116 -19.284 14.886 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -47.615 -21.065 13.212 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -47.061 -20.428 14.764 1.00 0.00 H new ATOM 346 N VAL A 23 -46.112 -19.004 6.134 1.00 0.00 N ATOM 347 CA VAL A 23 -47.198 -18.596 5.197 1.00 0.00 C ATOM 348 C VAL A 23 -47.433 -19.707 4.175 1.00 0.00 C ATOM 349 O VAL A 23 -48.493 -20.298 4.115 1.00 0.00 O ATOM 350 CB VAL A 23 -46.789 -17.312 4.472 1.00 0.00 C ATOM 351 CG1 VAL A 23 -47.876 -16.924 3.468 1.00 0.00 C ATOM 352 CG2 VAL A 23 -46.611 -16.185 5.491 1.00 0.00 C ATOM 0 H VAL A 23 -45.383 -18.306 6.285 1.00 0.00 H new ATOM 0 HA VAL A 23 -48.116 -18.420 5.758 1.00 0.00 H new ATOM 0 HB VAL A 23 -45.849 -17.477 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -47.585 -16.009 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -48.003 -17.726 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -48.816 -16.759 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -46.320 -15.270 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -47.550 -16.020 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -45.836 -16.460 6.206 1.00 0.00 H new ATOM 362 N ASN A 24 -46.451 -19.994 3.370 1.00 0.00 N ATOM 363 CA ASN A 24 -46.613 -21.066 2.348 1.00 0.00 C ATOM 364 C ASN A 24 -47.962 -20.898 1.646 1.00 0.00 C ATOM 365 O ASN A 24 -48.849 -21.717 1.780 1.00 0.00 O ATOM 366 CB ASN A 24 -46.561 -22.434 3.030 1.00 0.00 C ATOM 367 CG ASN A 24 -46.399 -23.527 1.972 1.00 0.00 C ATOM 368 OD1 ASN A 24 -45.423 -23.550 1.249 1.00 0.00 O ATOM 369 ND2 ASN A 24 -47.322 -24.441 1.850 1.00 0.00 N ATOM 0 H ASN A 24 -45.541 -19.533 3.374 1.00 0.00 H new ATOM 0 HA ASN A 24 -45.809 -20.995 1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -45.730 -22.469 3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -47.473 -22.601 3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -47.224 -25.174 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -48.142 -24.422 2.457 1.00 0.00 H new ATOM 376 N LEU A 25 -48.123 -19.840 0.898 1.00 0.00 N ATOM 377 CA LEU A 25 -49.414 -19.619 0.190 1.00 0.00 C ATOM 378 C LEU A 25 -49.221 -19.860 -1.309 1.00 0.00 C ATOM 379 O LEU A 25 -49.372 -18.964 -2.118 1.00 0.00 O ATOM 380 CB LEU A 25 -49.881 -18.180 0.422 1.00 0.00 C ATOM 381 CG LEU A 25 -50.409 -18.041 1.851 1.00 0.00 C ATOM 382 CD1 LEU A 25 -50.848 -16.595 2.095 1.00 0.00 C ATOM 383 CD2 LEU A 25 -51.604 -18.977 2.048 1.00 0.00 C ATOM 0 H LEU A 25 -47.416 -19.120 0.747 1.00 0.00 H new ATOM 0 HA LEU A 25 -50.164 -20.310 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -49.055 -17.487 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -50.662 -17.920 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 25 -49.621 -18.305 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -51.224 -16.496 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -49.997 -15.928 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -51.636 -16.330 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -51.980 -18.878 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -52.392 -18.714 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -51.292 -20.007 1.875 1.00 0.00 H new ATOM 395 N LYS A 26 -48.890 -21.064 -1.688 1.00 0.00 N ATOM 396 CA LYS A 26 -48.687 -21.368 -3.130 1.00 0.00 C ATOM 397 C LYS A 26 -50.015 -21.247 -3.886 1.00 0.00 C ATOM 398 O LYS A 26 -50.058 -20.744 -4.992 1.00 0.00 O ATOM 399 CB LYS A 26 -48.149 -22.792 -3.277 1.00 0.00 C ATOM 400 CG LYS A 26 -47.424 -22.927 -4.617 1.00 0.00 C ATOM 401 CD LYS A 26 -47.326 -24.406 -4.997 1.00 0.00 C ATOM 402 CE LYS A 26 -46.508 -24.548 -6.283 1.00 0.00 C ATOM 403 NZ LYS A 26 -46.739 -25.897 -6.873 1.00 0.00 N ATOM 0 H LYS A 26 -48.751 -21.853 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 26 -47.973 -20.658 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -47.467 -23.021 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -48.968 -23.509 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -47.960 -22.377 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -46.427 -22.491 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -46.857 -24.970 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -48.323 -24.823 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -46.794 -23.774 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -45.448 -24.409 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -46.183 -25.994 -7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -46.446 -26.628 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -47.749 -26.012 -7.091 1.00 0.00 H new ATOM 417 N PRO A 27 -51.124 -21.719 -3.285 1.00 0.00 N ATOM 418 CA PRO A 27 -52.446 -21.660 -3.922 1.00 0.00 C ATOM 419 C PRO A 27 -52.952 -20.221 -4.050 1.00 0.00 C ATOM 420 O PRO A 27 -53.638 -19.877 -4.991 1.00 0.00 O ATOM 421 CB PRO A 27 -53.341 -22.456 -2.972 1.00 0.00 C ATOM 422 CG PRO A 27 -52.655 -22.369 -1.652 1.00 0.00 C ATOM 423 CD PRO A 27 -51.182 -22.342 -1.949 1.00 0.00 C ATOM 0 HA PRO A 27 -52.429 -22.056 -4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -54.345 -22.034 -2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -53.445 -23.491 -3.298 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -52.960 -21.472 -1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -52.910 -23.222 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -50.632 -21.761 -1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -50.752 -23.344 -1.952 1.00 0.00 H new ATOM 431 N CYS A 28 -52.611 -19.375 -3.116 1.00 0.00 N ATOM 432 CA CYS A 28 -53.067 -17.959 -3.200 1.00 0.00 C ATOM 433 C CYS A 28 -52.376 -17.288 -4.389 1.00 0.00 C ATOM 434 O CYS A 28 -53.012 -16.679 -5.230 1.00 0.00 O ATOM 435 CB CYS A 28 -52.704 -17.225 -1.908 1.00 0.00 C ATOM 436 SG CYS A 28 -53.142 -18.258 -0.486 1.00 0.00 S ATOM 0 H CYS A 28 -52.039 -19.602 -2.302 1.00 0.00 H new ATOM 0 HA CYS A 28 -54.148 -17.924 -3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -51.638 -16.999 -1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -53.233 -16.273 -1.857 1.00 0.00 H new ATOM 441 N GLU A 29 -51.079 -17.405 -4.472 1.00 0.00 N ATOM 442 CA GLU A 29 -50.348 -16.787 -5.613 1.00 0.00 C ATOM 443 C GLU A 29 -50.821 -17.434 -6.915 1.00 0.00 C ATOM 444 O GLU A 29 -50.894 -16.796 -7.947 1.00 0.00 O ATOM 445 CB GLU A 29 -48.846 -17.019 -5.445 1.00 0.00 C ATOM 446 CG GLU A 29 -48.077 -15.863 -6.088 1.00 0.00 C ATOM 447 CD GLU A 29 -46.575 -16.138 -5.995 1.00 0.00 C ATOM 448 OE1 GLU A 29 -46.213 -17.152 -5.419 1.00 0.00 O ATOM 449 OE2 GLU A 29 -45.813 -15.330 -6.500 1.00 0.00 O ATOM 0 H GLU A 29 -50.495 -17.902 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 29 -50.545 -15.715 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -48.595 -17.093 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -48.559 -17.963 -5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -48.373 -15.750 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -48.318 -14.927 -5.585 1.00 0.00 H new ATOM 456 N GLN A 30 -51.145 -18.697 -6.871 1.00 0.00 N ATOM 457 CA GLN A 30 -51.616 -19.388 -8.103 1.00 0.00 C ATOM 458 C GLN A 30 -52.975 -18.821 -8.510 1.00 0.00 C ATOM 459 O GLN A 30 -53.389 -18.932 -9.647 1.00 0.00 O ATOM 460 CB GLN A 30 -51.749 -20.887 -7.829 1.00 0.00 C ATOM 461 CG GLN A 30 -50.361 -21.528 -7.812 1.00 0.00 C ATOM 462 CD GLN A 30 -50.468 -22.965 -7.295 1.00 0.00 C ATOM 463 OE1 GLN A 30 -51.517 -23.384 -6.848 1.00 0.00 O ATOM 464 NE2 GLN A 30 -49.420 -23.741 -7.338 1.00 0.00 N ATOM 0 H GLN A 30 -51.104 -19.280 -6.035 1.00 0.00 H new ATOM 0 HA GLN A 30 -50.898 -19.231 -8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -52.248 -21.050 -6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -52.367 -21.354 -8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -49.934 -21.522 -8.815 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -49.690 -20.951 -7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -48.540 -23.389 -7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -49.481 -24.700 -6.996 1.00 0.00 H new ATOM 473 N HIS A 31 -53.672 -18.208 -7.593 1.00 0.00 N ATOM 474 CA HIS A 31 -55.000 -17.629 -7.932 1.00 0.00 C ATOM 475 C HIS A 31 -54.778 -16.298 -8.649 1.00 0.00 C ATOM 476 O HIS A 31 -55.420 -15.991 -9.633 1.00 0.00 O ATOM 477 CB HIS A 31 -55.807 -17.411 -6.643 1.00 0.00 C ATOM 478 CG HIS A 31 -56.084 -15.942 -6.446 1.00 0.00 C ATOM 479 ND1 HIS A 31 -56.934 -15.234 -7.280 1.00 0.00 N ATOM 480 CD2 HIS A 31 -55.631 -15.038 -5.517 1.00 0.00 C ATOM 481 CE1 HIS A 31 -56.966 -13.962 -6.841 1.00 0.00 C ATOM 482 NE2 HIS A 31 -56.188 -13.789 -5.770 1.00 0.00 N ATOM 0 H HIS A 31 -53.378 -18.084 -6.624 1.00 0.00 H new ATOM 0 HA HIS A 31 -55.556 -18.306 -8.581 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -56.746 -17.962 -6.695 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -55.255 -17.802 -5.789 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -54.946 -15.263 -4.712 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -57.550 -13.177 -7.299 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -56.035 -12.926 -5.249 1.00 0.00 H new ATOM 490 N ILE A 32 -53.860 -15.513 -8.159 1.00 0.00 N ATOM 491 CA ILE A 32 -53.576 -14.205 -8.804 1.00 0.00 C ATOM 492 C ILE A 32 -52.804 -14.450 -10.105 1.00 0.00 C ATOM 493 O ILE A 32 -53.071 -13.840 -11.121 1.00 0.00 O ATOM 494 CB ILE A 32 -52.739 -13.349 -7.845 1.00 0.00 C ATOM 495 CG1 ILE A 32 -53.578 -12.171 -7.348 1.00 0.00 C ATOM 496 CG2 ILE A 32 -51.493 -12.818 -8.557 1.00 0.00 C ATOM 497 CD1 ILE A 32 -53.470 -12.086 -5.825 1.00 0.00 C ATOM 0 H ILE A 32 -53.294 -15.723 -7.337 1.00 0.00 H new ATOM 0 HA ILE A 32 -54.505 -13.683 -9.032 1.00 0.00 H new ATOM 0 HB ILE A 32 -52.430 -13.966 -7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -53.229 -11.243 -7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -54.619 -12.299 -7.644 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -50.909 -12.212 -7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -50.889 -13.655 -8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -51.793 -12.208 -9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -54.066 -11.248 -5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -53.839 -13.011 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -52.428 -11.938 -5.542 1.00 0.00 H new ATOM 509 N MET A 33 -51.848 -15.337 -10.075 1.00 0.00 N ATOM 510 CA MET A 33 -51.057 -15.623 -11.305 1.00 0.00 C ATOM 511 C MET A 33 -51.972 -16.238 -12.367 1.00 0.00 C ATOM 512 O MET A 33 -51.898 -15.904 -13.533 1.00 0.00 O ATOM 513 CB MET A 33 -49.933 -16.605 -10.971 1.00 0.00 C ATOM 514 CG MET A 33 -48.925 -15.930 -10.038 1.00 0.00 C ATOM 515 SD MET A 33 -47.639 -17.118 -9.579 1.00 0.00 S ATOM 516 CE MET A 33 -46.484 -16.731 -10.916 1.00 0.00 C ATOM 0 H MET A 33 -51.580 -15.876 -9.252 1.00 0.00 H new ATOM 0 HA MET A 33 -50.629 -14.696 -11.686 1.00 0.00 H new ATOM 0 HB2 MET A 33 -50.344 -17.496 -10.496 1.00 0.00 H new ATOM 0 HB3 MET A 33 -49.437 -16.931 -11.885 1.00 0.00 H new ATOM 0 HG2 MET A 33 -48.478 -15.067 -10.531 1.00 0.00 H new ATOM 0 HG3 MET A 33 -49.430 -15.561 -9.145 1.00 0.00 H new ATOM 0 HE1 MET A 33 -45.897 -17.617 -11.158 1.00 0.00 H new ATOM 0 HE2 MET A 33 -47.041 -16.413 -11.797 1.00 0.00 H new ATOM 0 HE3 MET A 33 -45.817 -15.929 -10.600 1.00 0.00 H new ATOM 526 N GLN A 34 -52.832 -17.136 -11.971 1.00 0.00 N ATOM 527 CA GLN A 34 -53.750 -17.776 -12.955 1.00 0.00 C ATOM 528 C GLN A 34 -54.661 -16.714 -13.575 1.00 0.00 C ATOM 529 O GLN A 34 -54.979 -16.765 -14.746 1.00 0.00 O ATOM 530 CB GLN A 34 -54.605 -18.826 -12.245 1.00 0.00 C ATOM 531 CG GLN A 34 -53.801 -20.119 -12.092 1.00 0.00 C ATOM 532 CD GLN A 34 -53.622 -20.774 -13.462 1.00 0.00 C ATOM 533 OE1 GLN A 34 -54.588 -21.080 -14.132 1.00 0.00 O ATOM 534 NE2 GLN A 34 -52.419 -21.005 -13.910 1.00 0.00 N ATOM 0 H GLN A 34 -52.939 -17.454 -11.008 1.00 0.00 H new ATOM 0 HA GLN A 34 -53.163 -18.252 -13.740 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -54.913 -18.459 -11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -55.515 -19.016 -12.815 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -52.828 -19.904 -11.650 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -54.315 -20.801 -11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -51.607 -20.748 -13.348 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -52.290 -21.442 -14.822 1.00 0.00 H new ATOM 543 N ARG A 35 -55.083 -15.754 -12.800 1.00 0.00 N ATOM 544 CA ARG A 35 -55.975 -14.694 -13.349 1.00 0.00 C ATOM 545 C ARG A 35 -55.180 -13.806 -14.307 1.00 0.00 C ATOM 546 O ARG A 35 -55.628 -13.488 -15.391 1.00 0.00 O ATOM 547 CB ARG A 35 -56.523 -13.842 -12.203 1.00 0.00 C ATOM 548 CG ARG A 35 -57.455 -12.769 -12.769 1.00 0.00 C ATOM 549 CD ARG A 35 -57.944 -11.867 -11.634 1.00 0.00 C ATOM 550 NE ARG A 35 -58.942 -10.897 -12.167 1.00 0.00 N ATOM 551 CZ ARG A 35 -59.277 -9.852 -11.461 1.00 0.00 C ATOM 552 NH1 ARG A 35 -59.771 -10.005 -10.263 1.00 0.00 N ATOM 553 NH2 ARG A 35 -59.120 -8.653 -11.953 1.00 0.00 N ATOM 0 H ARG A 35 -54.849 -15.657 -11.812 1.00 0.00 H new ATOM 0 HA ARG A 35 -56.803 -15.159 -13.884 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -57.062 -14.470 -11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -55.703 -13.376 -11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -56.931 -12.176 -13.519 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -58.304 -13.236 -13.268 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -58.392 -12.469 -10.844 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -57.103 -11.334 -11.191 1.00 0.00 H new ATOM 0 HE ARG A 35 -59.363 -11.050 -13.083 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -59.895 -10.941 -9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -60.033 -9.188 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -58.735 -8.533 -12.890 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -59.382 -7.837 -11.400 1.00 0.00 H new ATOM 567 N ILE A 36 -54.002 -13.404 -13.917 1.00 0.00 N ATOM 568 CA ILE A 36 -53.177 -12.538 -14.804 1.00 0.00 C ATOM 569 C ILE A 36 -52.715 -13.344 -16.019 1.00 0.00 C ATOM 570 O ILE A 36 -52.159 -12.808 -16.956 1.00 0.00 O ATOM 571 CB ILE A 36 -51.958 -12.035 -14.030 1.00 0.00 C ATOM 572 CG1 ILE A 36 -51.178 -13.229 -13.476 1.00 0.00 C ATOM 573 CG2 ILE A 36 -52.419 -11.146 -12.873 1.00 0.00 C ATOM 574 CD1 ILE A 36 -49.954 -12.725 -12.708 1.00 0.00 C ATOM 0 H ILE A 36 -53.575 -13.638 -13.021 1.00 0.00 H new ATOM 0 HA ILE A 36 -53.771 -11.688 -15.139 1.00 0.00 H new ATOM 0 HB ILE A 36 -51.316 -11.459 -14.697 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -51.815 -13.820 -12.819 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -50.866 -13.883 -14.290 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -51.550 -10.787 -12.321 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -52.975 -10.295 -13.267 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -53.061 -11.721 -12.206 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -49.397 -13.575 -12.313 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -49.314 -12.152 -13.379 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -50.278 -12.089 -11.884 1.00 0.00 H new ATOM 586 N MET A 37 -52.940 -14.630 -16.009 1.00 0.00 N ATOM 587 CA MET A 37 -52.513 -15.470 -17.163 1.00 0.00 C ATOM 588 C MET A 37 -52.856 -14.751 -18.468 1.00 0.00 C ATOM 589 O MET A 37 -52.101 -14.772 -19.418 1.00 0.00 O ATOM 590 CB MET A 37 -53.241 -16.814 -17.113 1.00 0.00 C ATOM 591 CG MET A 37 -52.456 -17.787 -16.230 1.00 0.00 C ATOM 592 SD MET A 37 -53.352 -19.355 -16.118 1.00 0.00 S ATOM 593 CE MET A 37 -52.456 -20.222 -17.429 1.00 0.00 C ATOM 0 H MET A 37 -53.401 -15.134 -15.252 1.00 0.00 H new ATOM 0 HA MET A 37 -51.437 -15.639 -17.113 1.00 0.00 H new ATOM 0 HB2 MET A 37 -54.248 -16.680 -16.718 1.00 0.00 H new ATOM 0 HB3 MET A 37 -53.344 -17.221 -18.119 1.00 0.00 H new ATOM 0 HG2 MET A 37 -51.462 -17.952 -16.646 1.00 0.00 H new ATOM 0 HG3 MET A 37 -52.318 -17.363 -15.236 1.00 0.00 H new ATOM 0 HE1 MET A 37 -52.853 -21.232 -17.535 1.00 0.00 H new ATOM 0 HE2 MET A 37 -52.577 -19.684 -18.369 1.00 0.00 H new ATOM 0 HE3 MET A 37 -51.397 -20.273 -17.174 1.00 0.00 H new ATOM 603 N GLY A 38 -53.992 -14.112 -18.517 1.00 0.00 N ATOM 604 CA GLY A 38 -54.389 -13.389 -19.758 1.00 0.00 C ATOM 605 C GLY A 38 -54.577 -14.392 -20.897 1.00 0.00 C ATOM 606 O GLY A 38 -55.679 -14.634 -21.349 1.00 0.00 O ATOM 0 H GLY A 38 -54.663 -14.059 -17.751 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -55.314 -12.837 -19.590 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -53.626 -12.658 -20.025 1.00 0.00 H new ATOM 865 N ASP A 55 -64.727 -16.979 -6.472 1.00 0.00 N ATOM 866 CA ASP A 55 -65.193 -17.366 -5.110 1.00 0.00 C ATOM 867 C ASP A 55 -64.198 -18.349 -4.488 1.00 0.00 C ATOM 868 O ASP A 55 -64.192 -18.567 -3.293 1.00 0.00 O ATOM 869 CB ASP A 55 -66.568 -18.027 -5.210 1.00 0.00 C ATOM 870 CG ASP A 55 -67.596 -16.997 -5.682 1.00 0.00 C ATOM 871 OD1 ASP A 55 -67.271 -15.821 -5.679 1.00 0.00 O ATOM 872 OD2 ASP A 55 -68.691 -17.401 -6.039 1.00 0.00 O ATOM 0 HA ASP A 55 -65.262 -16.476 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -66.531 -18.865 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -66.861 -18.431 -4.241 1.00 0.00 H new ATOM 877 N GLN A 56 -63.357 -18.945 -5.288 1.00 0.00 N ATOM 878 CA GLN A 56 -62.365 -19.913 -4.739 1.00 0.00 C ATOM 879 C GLN A 56 -61.243 -19.148 -4.032 1.00 0.00 C ATOM 880 O GLN A 56 -60.689 -19.606 -3.051 1.00 0.00 O ATOM 881 CB GLN A 56 -61.776 -20.743 -5.881 1.00 0.00 C ATOM 882 CG GLN A 56 -62.793 -21.800 -6.321 1.00 0.00 C ATOM 883 CD GLN A 56 -62.152 -22.724 -7.357 1.00 0.00 C ATOM 884 OE1 GLN A 56 -61.144 -22.388 -7.948 1.00 0.00 O ATOM 885 NE2 GLN A 56 -62.698 -23.883 -7.606 1.00 0.00 N ATOM 0 H GLN A 56 -63.314 -18.804 -6.297 1.00 0.00 H new ATOM 0 HA GLN A 56 -62.858 -20.574 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -61.521 -20.097 -6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -60.853 -21.224 -5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -63.128 -22.378 -5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -63.675 -21.318 -6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -63.544 -24.165 -7.110 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -62.279 -24.506 -8.296 1.00 0.00 H new ATOM 894 N GLN A 57 -60.905 -17.988 -4.521 1.00 0.00 N ATOM 895 CA GLN A 57 -59.818 -17.195 -3.876 1.00 0.00 C ATOM 896 C GLN A 57 -60.237 -16.822 -2.453 1.00 0.00 C ATOM 897 O GLN A 57 -59.444 -16.864 -1.532 1.00 0.00 O ATOM 898 CB GLN A 57 -59.569 -15.920 -4.685 1.00 0.00 C ATOM 899 CG GLN A 57 -59.330 -16.284 -6.152 1.00 0.00 C ATOM 900 CD GLN A 57 -59.583 -15.057 -7.030 1.00 0.00 C ATOM 901 OE1 GLN A 57 -59.700 -13.955 -6.534 1.00 0.00 O ATOM 902 NE2 GLN A 57 -59.671 -15.204 -8.324 1.00 0.00 N ATOM 0 H GLN A 57 -61.333 -17.554 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 57 -58.904 -17.789 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -60.425 -15.250 -4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -58.706 -15.387 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -58.308 -16.637 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -59.991 -17.099 -6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -59.573 -16.130 -8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -59.838 -14.393 -8.919 1.00 0.00 H new ATOM 911 N GLN A 58 -61.475 -16.459 -2.264 1.00 0.00 N ATOM 912 CA GLN A 58 -61.940 -16.088 -0.900 1.00 0.00 C ATOM 913 C GLN A 58 -61.402 -17.102 0.112 1.00 0.00 C ATOM 914 O GLN A 58 -61.235 -16.803 1.277 1.00 0.00 O ATOM 915 CB GLN A 58 -63.469 -16.090 -0.864 1.00 0.00 C ATOM 916 CG GLN A 58 -63.998 -14.937 -1.722 1.00 0.00 C ATOM 917 CD GLN A 58 -65.524 -14.885 -1.623 1.00 0.00 C ATOM 918 OE1 GLN A 58 -66.148 -15.825 -1.173 1.00 0.00 O ATOM 919 NE2 GLN A 58 -66.155 -13.817 -2.030 1.00 0.00 N ATOM 0 H GLN A 58 -62.184 -16.403 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 58 -61.574 -15.093 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -63.852 -17.040 -1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -63.820 -15.985 0.163 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -63.569 -13.993 -1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -63.695 -15.073 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -65.631 -13.028 -2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -67.172 -13.772 -1.970 1.00 0.00 H new ATOM 928 N ARG A 59 -61.128 -18.301 -0.326 1.00 0.00 N ATOM 929 CA ARG A 59 -60.600 -19.333 0.608 1.00 0.00 C ATOM 930 C ARG A 59 -59.300 -18.834 1.233 1.00 0.00 C ATOM 931 O ARG A 59 -59.221 -18.602 2.423 1.00 0.00 O ATOM 932 CB ARG A 59 -60.338 -20.630 -0.160 1.00 0.00 C ATOM 933 CG ARG A 59 -59.779 -21.688 0.793 1.00 0.00 C ATOM 934 CD ARG A 59 -59.382 -22.931 -0.006 1.00 0.00 C ATOM 935 NE ARG A 59 -59.107 -24.058 0.930 1.00 0.00 N ATOM 936 CZ ARG A 59 -58.912 -25.260 0.461 1.00 0.00 C ATOM 937 NH1 ARG A 59 -59.615 -25.687 -0.553 1.00 0.00 N ATOM 938 NH2 ARG A 59 -58.014 -26.035 1.005 1.00 0.00 N ATOM 0 H ARG A 59 -61.247 -18.609 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 59 -61.330 -19.521 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -61.262 -20.988 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -59.633 -20.448 -0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -58.914 -21.293 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -60.525 -21.948 1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -60.181 -23.204 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -58.499 -22.722 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 59 -59.071 -23.890 1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -60.317 -25.081 -0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -59.463 -26.627 -0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -57.465 -25.701 1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -57.862 -26.975 0.638 1.00 0.00 H new ATOM 952 N CYS A 60 -58.281 -18.657 0.442 1.00 0.00 N ATOM 953 CA CYS A 60 -56.994 -18.161 1.002 1.00 0.00 C ATOM 954 C CYS A 60 -57.293 -17.001 1.949 1.00 0.00 C ATOM 955 O CYS A 60 -57.140 -17.106 3.150 1.00 0.00 O ATOM 956 CB CYS A 60 -56.091 -17.681 -0.136 1.00 0.00 C ATOM 957 SG CYS A 60 -54.493 -17.158 0.536 1.00 0.00 S ATOM 0 H CYS A 60 -58.282 -18.833 -0.563 1.00 0.00 H new ATOM 0 HA CYS A 60 -56.486 -18.960 1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -55.947 -18.481 -0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -56.564 -16.853 -0.664 1.00 0.00 H new ATOM 962 N CYS A 61 -57.729 -15.900 1.414 1.00 0.00 N ATOM 963 CA CYS A 61 -58.053 -14.729 2.273 1.00 0.00 C ATOM 964 C CYS A 61 -58.838 -15.204 3.498 1.00 0.00 C ATOM 965 O CYS A 61 -58.573 -14.804 4.613 1.00 0.00 O ATOM 966 CB CYS A 61 -58.899 -13.729 1.481 1.00 0.00 C ATOM 967 SG CYS A 61 -58.052 -12.131 1.427 1.00 0.00 S ATOM 0 H CYS A 61 -57.876 -15.758 0.415 1.00 0.00 H new ATOM 0 HA CYS A 61 -57.130 -14.246 2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -59.066 -14.099 0.469 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -59.879 -13.618 1.945 1.00 0.00 H new ATOM 972 N ASP A 62 -59.805 -16.057 3.296 1.00 0.00 N ATOM 973 CA ASP A 62 -60.607 -16.557 4.449 1.00 0.00 C ATOM 974 C ASP A 62 -59.665 -17.100 5.522 1.00 0.00 C ATOM 975 O ASP A 62 -59.895 -16.939 6.704 1.00 0.00 O ATOM 976 CB ASP A 62 -61.549 -17.668 3.981 1.00 0.00 C ATOM 977 CG ASP A 62 -62.883 -17.057 3.548 1.00 0.00 C ATOM 978 OD1 ASP A 62 -63.094 -15.886 3.823 1.00 0.00 O ATOM 979 OD2 ASP A 62 -63.673 -17.769 2.950 1.00 0.00 O ATOM 0 H ASP A 62 -60.074 -16.429 2.385 1.00 0.00 H new ATOM 0 HA ASP A 62 -61.198 -15.739 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -61.101 -18.214 3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -61.710 -18.386 4.785 1.00 0.00 H new ATOM 984 N GLU A 63 -58.598 -17.732 5.120 1.00 0.00 N ATOM 985 CA GLU A 63 -57.635 -18.271 6.119 1.00 0.00 C ATOM 986 C GLU A 63 -56.948 -17.101 6.820 1.00 0.00 C ATOM 987 O GLU A 63 -56.866 -17.049 8.031 1.00 0.00 O ATOM 988 CB GLU A 63 -56.589 -19.133 5.410 1.00 0.00 C ATOM 989 CG GLU A 63 -57.292 -20.117 4.471 1.00 0.00 C ATOM 990 CD GLU A 63 -56.299 -21.189 4.019 1.00 0.00 C ATOM 991 OE1 GLU A 63 -55.110 -20.914 4.041 1.00 0.00 O ATOM 992 OE2 GLU A 63 -56.743 -22.265 3.657 1.00 0.00 O ATOM 0 H GLU A 63 -58.352 -17.898 4.144 1.00 0.00 H new ATOM 0 HA GLU A 63 -58.162 -18.883 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -55.903 -18.501 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -55.992 -19.676 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -58.137 -20.581 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -57.691 -19.588 3.606 1.00 0.00 H new ATOM 999 N LEU A 64 -56.458 -16.156 6.065 1.00 0.00 N ATOM 1000 CA LEU A 64 -55.782 -14.984 6.683 1.00 0.00 C ATOM 1001 C LEU A 64 -56.764 -14.263 7.609 1.00 0.00 C ATOM 1002 O LEU A 64 -56.383 -13.414 8.391 1.00 0.00 O ATOM 1003 CB LEU A 64 -55.316 -14.025 5.585 1.00 0.00 C ATOM 1004 CG LEU A 64 -54.550 -14.807 4.517 1.00 0.00 C ATOM 1005 CD1 LEU A 64 -53.971 -13.833 3.488 1.00 0.00 C ATOM 1006 CD2 LEU A 64 -53.412 -15.591 5.173 1.00 0.00 C ATOM 0 H LEU A 64 -56.497 -16.146 5.046 1.00 0.00 H new ATOM 0 HA LEU A 64 -54.920 -15.321 7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -56.174 -13.523 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -54.679 -13.250 6.011 1.00 0.00 H new ATOM 0 HG LEU A 64 -55.228 -15.501 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -53.425 -14.390 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -54.781 -13.276 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -53.294 -13.139 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -52.867 -16.148 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -52.733 -14.899 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -53.824 -16.286 5.905 1.00 0.00 H new ATOM 1018 N ASN A 65 -58.025 -14.597 7.535 1.00 0.00 N ATOM 1019 CA ASN A 65 -59.020 -13.932 8.419 1.00 0.00 C ATOM 1020 C ASN A 65 -58.866 -14.472 9.843 1.00 0.00 C ATOM 1021 O ASN A 65 -59.176 -13.802 10.808 1.00 0.00 O ATOM 1022 CB ASN A 65 -60.433 -14.225 7.912 1.00 0.00 C ATOM 1023 CG ASN A 65 -61.436 -13.347 8.662 1.00 0.00 C ATOM 1024 OD1 ASN A 65 -61.057 -12.408 9.333 1.00 0.00 O ATOM 1025 ND2 ASN A 65 -62.711 -13.614 8.575 1.00 0.00 N ATOM 0 H ASN A 65 -58.406 -15.300 6.902 1.00 0.00 H new ATOM 0 HA ASN A 65 -58.852 -12.855 8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -60.494 -14.032 6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -60.673 -15.278 8.060 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -63.388 -13.034 9.070 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -63.030 -14.402 8.012 1.00 0.00 H new ATOM 1032 N GLU A 66 -58.388 -15.680 9.981 1.00 0.00 N ATOM 1033 CA GLU A 66 -58.213 -16.258 11.344 1.00 0.00 C ATOM 1034 C GLU A 66 -57.432 -17.571 11.254 1.00 0.00 C ATOM 1035 O GLU A 66 -56.692 -17.925 12.150 1.00 0.00 O ATOM 1036 CB GLU A 66 -59.586 -16.527 11.964 1.00 0.00 C ATOM 1037 CG GLU A 66 -59.495 -16.388 13.485 1.00 0.00 C ATOM 1038 CD GLU A 66 -60.896 -16.171 14.062 1.00 0.00 C ATOM 1039 OE1 GLU A 66 -61.812 -15.965 13.283 1.00 0.00 O ATOM 1040 OE2 GLU A 66 -61.028 -16.215 15.274 1.00 0.00 O ATOM 0 H GLU A 66 -58.112 -16.289 9.211 1.00 0.00 H new ATOM 0 HA GLU A 66 -57.662 -15.552 11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -60.320 -15.825 11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -59.927 -17.528 11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -59.047 -17.283 13.917 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -58.849 -15.550 13.746 1.00 0.00 H new ATOM 1093 N THR A 70 -53.413 -14.188 11.167 1.00 0.00 N ATOM 1094 CA THR A 70 -52.576 -13.042 10.714 1.00 0.00 C ATOM 1095 C THR A 70 -52.936 -11.796 11.527 1.00 0.00 C ATOM 1096 O THR A 70 -53.910 -11.779 12.254 1.00 0.00 O ATOM 1097 CB THR A 70 -52.837 -12.772 9.228 1.00 0.00 C ATOM 1098 OG1 THR A 70 -53.888 -11.826 9.099 1.00 0.00 O ATOM 1099 CG2 THR A 70 -53.233 -14.076 8.532 1.00 0.00 C ATOM 0 HA THR A 70 -51.523 -13.282 10.860 1.00 0.00 H new ATOM 0 HB THR A 70 -51.933 -12.377 8.765 1.00 0.00 H new ATOM 0 HG1 THR A 70 -54.723 -12.292 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 70 -53.418 -13.883 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 70 -52.426 -14.802 8.632 1.00 0.00 H new ATOM 0 HG23 THR A 70 -54.137 -14.474 8.992 1.00 0.00 H new ATOM 1107 N GLN A 71 -52.157 -10.754 11.415 1.00 0.00 N ATOM 1108 CA GLN A 71 -52.460 -9.514 12.185 1.00 0.00 C ATOM 1109 C GLN A 71 -51.738 -8.326 11.547 1.00 0.00 C ATOM 1110 O GLN A 71 -51.027 -7.592 12.207 1.00 0.00 O ATOM 1111 CB GLN A 71 -51.987 -9.683 13.631 1.00 0.00 C ATOM 1112 CG GLN A 71 -52.456 -8.488 14.463 1.00 0.00 C ATOM 1113 CD GLN A 71 -51.846 -8.571 15.864 1.00 0.00 C ATOM 1114 OE1 GLN A 71 -51.256 -9.570 16.224 1.00 0.00 O ATOM 1115 NE2 GLN A 71 -51.963 -7.555 16.674 1.00 0.00 N ATOM 0 H GLN A 71 -51.326 -10.708 10.825 1.00 0.00 H new ATOM 0 HA GLN A 71 -53.535 -9.333 12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -52.383 -10.609 14.049 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -50.900 -9.758 13.663 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -52.160 -7.557 13.980 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -53.544 -8.481 14.528 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -52.458 -6.716 16.372 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -51.559 -7.599 17.610 1.00 0.00 H new ATOM 1124 N GLY A 72 -51.916 -8.125 10.270 1.00 0.00 N ATOM 1125 CA GLY A 72 -51.242 -6.981 9.594 1.00 0.00 C ATOM 1126 C GLY A 72 -49.932 -7.456 8.961 1.00 0.00 C ATOM 1127 O GLY A 72 -49.276 -6.722 8.248 1.00 0.00 O ATOM 0 H GLY A 72 -52.499 -8.704 9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -51.896 -6.561 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -51.043 -6.187 10.314 1.00 0.00 H new ATOM 1131 N CYS A 73 -49.545 -8.676 9.215 1.00 0.00 N ATOM 1132 CA CYS A 73 -48.276 -9.192 8.626 1.00 0.00 C ATOM 1133 C CYS A 73 -48.508 -9.569 7.161 1.00 0.00 C ATOM 1134 O CYS A 73 -47.617 -10.044 6.484 1.00 0.00 O ATOM 1135 CB CYS A 73 -47.817 -10.427 9.403 1.00 0.00 C ATOM 1136 SG CYS A 73 -47.312 -9.936 11.071 1.00 0.00 S ATOM 0 H CYS A 73 -50.051 -9.337 9.804 1.00 0.00 H new ATOM 0 HA CYS A 73 -47.509 -8.420 8.685 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -48.624 -11.158 9.456 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -46.986 -10.907 8.886 1.00 0.00 H new ATOM 1141 N MET A 74 -49.698 -9.360 6.665 1.00 0.00 N ATOM 1142 CA MET A 74 -49.981 -9.707 5.245 1.00 0.00 C ATOM 1143 C MET A 74 -48.821 -9.237 4.365 1.00 0.00 C ATOM 1144 O MET A 74 -48.298 -9.981 3.559 1.00 0.00 O ATOM 1145 CB MET A 74 -51.272 -9.019 4.799 1.00 0.00 C ATOM 1146 CG MET A 74 -52.446 -9.556 5.622 1.00 0.00 C ATOM 1147 SD MET A 74 -52.703 -11.304 5.233 1.00 0.00 S ATOM 1148 CE MET A 74 -53.332 -11.074 3.552 1.00 0.00 C ATOM 0 H MET A 74 -50.484 -8.965 7.181 1.00 0.00 H new ATOM 0 HA MET A 74 -50.095 -10.787 5.150 1.00 0.00 H new ATOM 0 HB2 MET A 74 -51.186 -7.940 4.929 1.00 0.00 H new ATOM 0 HB3 MET A 74 -51.445 -9.199 3.738 1.00 0.00 H new ATOM 0 HG2 MET A 74 -52.244 -9.435 6.686 1.00 0.00 H new ATOM 0 HG3 MET A 74 -53.349 -8.987 5.402 1.00 0.00 H new ATOM 0 HE1 MET A 74 -54.385 -11.354 3.516 1.00 0.00 H new ATOM 0 HE2 MET A 74 -53.224 -10.029 3.263 1.00 0.00 H new ATOM 0 HE3 MET A 74 -52.766 -11.701 2.863 1.00 0.00 H new ATOM 1158 N CYS A 75 -48.414 -8.005 4.512 1.00 0.00 N ATOM 1159 CA CYS A 75 -47.288 -7.488 3.684 1.00 0.00 C ATOM 1160 C CYS A 75 -46.173 -8.534 3.625 1.00 0.00 C ATOM 1161 O CYS A 75 -45.738 -8.931 2.562 1.00 0.00 O ATOM 1162 CB CYS A 75 -46.746 -6.199 4.309 1.00 0.00 C ATOM 1163 SG CYS A 75 -45.559 -5.434 3.177 1.00 0.00 S ATOM 0 H CYS A 75 -48.813 -7.335 5.170 1.00 0.00 H new ATOM 0 HA CYS A 75 -47.645 -7.282 2.675 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -47.565 -5.510 4.515 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -46.266 -6.418 5.263 1.00 0.00 H new ATOM 0 HG CYS A 75 -45.100 -4.339 3.705 1.00 0.00 H new ATOM 1168 N GLU A 76 -45.706 -8.986 4.757 1.00 0.00 N ATOM 1169 CA GLU A 76 -44.622 -10.008 4.758 1.00 0.00 C ATOM 1170 C GLU A 76 -45.124 -11.275 4.064 1.00 0.00 C ATOM 1171 O GLU A 76 -44.352 -12.086 3.592 1.00 0.00 O ATOM 1172 CB GLU A 76 -44.232 -10.337 6.201 1.00 0.00 C ATOM 1173 CG GLU A 76 -43.695 -9.079 6.885 1.00 0.00 C ATOM 1174 CD GLU A 76 -43.346 -9.399 8.339 1.00 0.00 C ATOM 1175 OE1 GLU A 76 -43.977 -10.280 8.900 1.00 0.00 O ATOM 1176 OE2 GLU A 76 -42.452 -8.758 8.868 1.00 0.00 O ATOM 0 H GLU A 76 -46.028 -8.692 5.679 1.00 0.00 H new ATOM 0 HA GLU A 76 -43.752 -9.620 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -45.097 -10.718 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -43.476 -11.122 6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -42.812 -8.715 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -44.440 -8.284 6.845 1.00 0.00 H new ATOM 1183 N ALA A 77 -46.416 -11.445 3.993 1.00 0.00 N ATOM 1184 CA ALA A 77 -46.970 -12.653 3.322 1.00 0.00 C ATOM 1185 C ALA A 77 -46.826 -12.497 1.809 1.00 0.00 C ATOM 1186 O ALA A 77 -46.321 -13.369 1.130 1.00 0.00 O ATOM 1187 CB ALA A 77 -48.448 -12.809 3.686 1.00 0.00 C ATOM 0 H ALA A 77 -47.110 -10.800 4.370 1.00 0.00 H new ATOM 0 HA ALA A 77 -46.425 -13.538 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -48.852 -13.694 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -48.547 -12.917 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -48.999 -11.928 3.357 1.00 0.00 H new ATOM 1193 N LEU A 78 -47.259 -11.389 1.273 1.00 0.00 N ATOM 1194 CA LEU A 78 -47.136 -11.178 -0.195 1.00 0.00 C ATOM 1195 C LEU A 78 -45.656 -11.195 -0.576 1.00 0.00 C ATOM 1196 O LEU A 78 -45.265 -11.768 -1.574 1.00 0.00 O ATOM 1197 CB LEU A 78 -47.746 -9.826 -0.572 1.00 0.00 C ATOM 1198 CG LEU A 78 -49.168 -9.734 -0.014 1.00 0.00 C ATOM 1199 CD1 LEU A 78 -49.840 -8.465 -0.544 1.00 0.00 C ATOM 1200 CD2 LEU A 78 -49.970 -10.960 -0.453 1.00 0.00 C ATOM 0 H LEU A 78 -47.692 -10.622 1.788 1.00 0.00 H new ATOM 0 HA LEU A 78 -47.664 -11.970 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -47.135 -9.016 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -47.761 -9.711 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 78 -49.131 -9.698 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -50.853 -8.397 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -49.268 -7.592 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -49.878 -8.501 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -50.983 -10.894 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -50.010 -10.998 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -49.490 -11.863 -0.075 1.00 0.00 H new ATOM 1212 N GLN A 79 -44.827 -10.570 0.215 1.00 0.00 N ATOM 1213 CA GLN A 79 -43.371 -10.549 -0.093 1.00 0.00 C ATOM 1214 C GLN A 79 -42.857 -11.982 -0.215 1.00 0.00 C ATOM 1215 O GLN A 79 -42.077 -12.301 -1.090 1.00 0.00 O ATOM 1216 CB GLN A 79 -42.621 -9.831 1.029 1.00 0.00 C ATOM 1217 CG GLN A 79 -42.967 -8.340 1.003 1.00 0.00 C ATOM 1218 CD GLN A 79 -42.722 -7.785 -0.402 1.00 0.00 C ATOM 1219 OE1 GLN A 79 -41.650 -7.941 -0.951 1.00 0.00 O ATOM 1220 NE2 GLN A 79 -43.679 -7.141 -1.010 1.00 0.00 N ATOM 0 H GLN A 79 -45.097 -10.072 1.063 1.00 0.00 H new ATOM 0 HA GLN A 79 -43.206 -10.022 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -42.890 -10.261 1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -41.546 -9.968 0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -44.009 -8.192 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -42.359 -7.802 1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -44.579 -7.010 -0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -43.527 -6.768 -1.947 1.00 0.00 H new ATOM 1229 N GLN A 80 -43.288 -12.850 0.658 1.00 0.00 N ATOM 1230 CA GLN A 80 -42.822 -14.263 0.591 1.00 0.00 C ATOM 1231 C GLN A 80 -43.472 -14.956 -0.607 1.00 0.00 C ATOM 1232 O GLN A 80 -42.813 -15.598 -1.399 1.00 0.00 O ATOM 1233 CB GLN A 80 -43.213 -14.992 1.878 1.00 0.00 C ATOM 1234 CG GLN A 80 -42.307 -14.529 3.021 1.00 0.00 C ATOM 1235 CD GLN A 80 -40.843 -14.652 2.593 1.00 0.00 C ATOM 1236 OE1 GLN A 80 -40.430 -15.678 2.088 1.00 0.00 O ATOM 1237 NE2 GLN A 80 -40.035 -13.644 2.774 1.00 0.00 N ATOM 0 H GLN A 80 -43.941 -12.642 1.413 1.00 0.00 H new ATOM 0 HA GLN A 80 -41.738 -14.284 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -44.256 -14.789 2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -43.122 -16.069 1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -42.535 -13.496 3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -42.489 -15.132 3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -40.381 -12.783 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -39.057 -13.717 2.492 1.00 0.00 H new ATOM 1246 N ILE A 81 -44.763 -14.826 -0.748 1.00 0.00 N ATOM 1247 CA ILE A 81 -45.452 -15.475 -1.897 1.00 0.00 C ATOM 1248 C ILE A 81 -44.722 -15.113 -3.193 1.00 0.00 C ATOM 1249 O ILE A 81 -44.208 -15.967 -3.889 1.00 0.00 O ATOM 1250 CB ILE A 81 -46.899 -14.981 -1.964 1.00 0.00 C ATOM 1251 CG1 ILE A 81 -47.713 -15.630 -0.842 1.00 0.00 C ATOM 1252 CG2 ILE A 81 -47.507 -15.359 -3.315 1.00 0.00 C ATOM 1253 CD1 ILE A 81 -49.143 -15.088 -0.870 1.00 0.00 C ATOM 0 H ILE A 81 -45.368 -14.299 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 81 -45.446 -16.557 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 81 -46.916 -13.897 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -47.721 -16.713 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -47.252 -15.421 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -48.537 -15.007 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -46.929 -14.898 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -47.488 -16.443 -3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -49.723 -15.550 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -49.125 -14.008 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -49.601 -15.320 -1.832 1.00 0.00 H new ATOM 1265 N MET A 82 -44.666 -13.849 -3.520 1.00 0.00 N ATOM 1266 CA MET A 82 -43.963 -13.437 -4.767 1.00 0.00 C ATOM 1267 C MET A 82 -42.569 -14.063 -4.787 1.00 0.00 C ATOM 1268 O MET A 82 -42.145 -14.632 -5.773 1.00 0.00 O ATOM 1269 CB MET A 82 -43.839 -11.912 -4.806 1.00 0.00 C ATOM 1270 CG MET A 82 -43.060 -11.495 -6.056 1.00 0.00 C ATOM 1271 SD MET A 82 -42.685 -9.726 -5.971 1.00 0.00 S ATOM 1272 CE MET A 82 -44.369 -9.124 -6.249 1.00 0.00 C ATOM 0 H MET A 82 -45.075 -13.088 -2.979 1.00 0.00 H new ATOM 0 HA MET A 82 -44.530 -13.774 -5.635 1.00 0.00 H new ATOM 0 HB2 MET A 82 -44.829 -11.456 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 82 -43.330 -11.555 -3.911 1.00 0.00 H new ATOM 0 HG2 MET A 82 -42.137 -12.070 -6.131 1.00 0.00 H new ATOM 0 HG3 MET A 82 -43.644 -11.711 -6.951 1.00 0.00 H new ATOM 0 HE1 MET A 82 -44.336 -8.078 -6.553 1.00 0.00 H new ATOM 0 HE2 MET A 82 -44.842 -9.715 -7.034 1.00 0.00 H new ATOM 0 HE3 MET A 82 -44.945 -9.216 -5.328 1.00 0.00 H new ATOM 1282 N GLU A 83 -41.856 -13.966 -3.700 1.00 0.00 N ATOM 1283 CA GLU A 83 -40.490 -14.559 -3.649 1.00 0.00 C ATOM 1284 C GLU A 83 -40.601 -16.083 -3.682 1.00 0.00 C ATOM 1285 O GLU A 83 -39.627 -16.783 -3.876 1.00 0.00 O ATOM 1286 CB GLU A 83 -39.794 -14.126 -2.358 1.00 0.00 C ATOM 1287 CG GLU A 83 -39.465 -12.633 -2.429 1.00 0.00 C ATOM 1288 CD GLU A 83 -38.650 -12.231 -1.200 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -38.463 -13.072 -0.336 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -38.224 -11.089 -1.142 1.00 0.00 O ATOM 0 H GLU A 83 -42.160 -13.502 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 83 -39.910 -14.216 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -40.437 -14.327 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -38.881 -14.704 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -38.903 -12.416 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -40.384 -12.049 -2.476 1.00 0.00 H new ATOM 1297 N ASN A 84 -41.782 -16.605 -3.493 1.00 0.00 N ATOM 1298 CA ASN A 84 -41.958 -18.083 -3.511 1.00 0.00 C ATOM 1299 C ASN A 84 -42.201 -18.551 -4.946 1.00 0.00 C ATOM 1300 O ASN A 84 -42.019 -19.708 -5.270 1.00 0.00 O ATOM 1301 CB ASN A 84 -43.157 -18.467 -2.642 1.00 0.00 C ATOM 1302 CG ASN A 84 -43.322 -19.988 -2.643 1.00 0.00 C ATOM 1303 OD1 ASN A 84 -44.290 -20.527 -3.334 1.00 0.00 O flip ATOM 1304 ND2 ASN A 84 -42.561 -20.695 -2.012 1.00 0.00 N flip ATOM 0 H ASN A 84 -42.634 -16.069 -3.327 1.00 0.00 H new ATOM 0 HA ASN A 84 -41.058 -18.558 -3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -43.012 -18.107 -1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -44.062 -17.992 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -41.804 -20.275 -1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -42.679 -21.708 -2.023 1.00 0.00 H new ATOM 1311 N GLN A 85 -42.610 -17.664 -5.812 1.00 0.00 N ATOM 1312 CA GLN A 85 -42.861 -18.066 -7.225 1.00 0.00 C ATOM 1313 C GLN A 85 -42.374 -16.965 -8.169 1.00 0.00 C ATOM 1314 O GLN A 85 -42.802 -16.871 -9.302 1.00 0.00 O ATOM 1315 CB GLN A 85 -44.361 -18.288 -7.432 1.00 0.00 C ATOM 1316 CG GLN A 85 -44.782 -19.596 -6.761 1.00 0.00 C ATOM 1317 CD GLN A 85 -46.217 -19.939 -7.167 1.00 0.00 C ATOM 1318 OE1 GLN A 85 -47.031 -19.059 -7.368 1.00 0.00 O ATOM 1319 NE2 GLN A 85 -46.565 -21.190 -7.297 1.00 0.00 N ATOM 0 H GLN A 85 -42.781 -16.680 -5.603 1.00 0.00 H new ATOM 0 HA GLN A 85 -42.322 -18.989 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -44.924 -17.454 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -44.590 -18.323 -8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -44.108 -20.401 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -44.712 -19.500 -5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -45.883 -21.929 -7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -47.519 -21.428 -7.567 1.00 0.00 H new ATOM 1328 N CYS A 86 -41.481 -16.128 -7.712 1.00 0.00 N ATOM 1329 CA CYS A 86 -40.968 -15.035 -8.587 1.00 0.00 C ATOM 1330 C CYS A 86 -39.636 -15.463 -9.208 1.00 0.00 C ATOM 1331 O CYS A 86 -39.105 -14.803 -10.077 1.00 0.00 O ATOM 1332 CB CYS A 86 -40.761 -13.769 -7.752 1.00 0.00 C ATOM 1333 SG CYS A 86 -39.845 -12.544 -8.722 1.00 0.00 S ATOM 0 H CYS A 86 -41.085 -16.154 -6.772 1.00 0.00 H new ATOM 0 HA CYS A 86 -41.689 -14.833 -9.379 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -41.725 -13.360 -7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -40.214 -14.008 -6.840 1.00 0.00 H new ATOM 0 HG CYS A 86 -39.455 -13.080 -9.840 1.00 0.00 H new ATOM 1338 N ASP A 87 -39.094 -16.566 -8.768 1.00 0.00 N ATOM 1339 CA ASP A 87 -37.797 -17.036 -9.333 1.00 0.00 C ATOM 1340 C ASP A 87 -37.884 -17.065 -10.860 1.00 0.00 C ATOM 1341 O ASP A 87 -36.886 -17.006 -11.549 1.00 0.00 O ATOM 1342 CB ASP A 87 -37.495 -18.443 -8.813 1.00 0.00 C ATOM 1343 CG ASP A 87 -37.220 -18.383 -7.309 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -37.035 -17.288 -6.804 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -37.200 -19.432 -6.687 1.00 0.00 O ATOM 0 H ASP A 87 -39.493 -17.162 -8.042 1.00 0.00 H new ATOM 0 HA ASP A 87 -37.001 -16.356 -9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -38.338 -19.105 -9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -36.633 -18.858 -9.335 1.00 0.00 H new ATOM 1350 N ARG A 88 -39.072 -17.156 -11.396 1.00 0.00 N ATOM 1351 CA ARG A 88 -39.217 -17.190 -12.878 1.00 0.00 C ATOM 1352 C ARG A 88 -40.159 -16.071 -13.327 1.00 0.00 C ATOM 1353 O ARG A 88 -40.677 -16.086 -14.426 1.00 0.00 O ATOM 1354 CB ARG A 88 -39.794 -18.543 -13.303 1.00 0.00 C ATOM 1355 CG ARG A 88 -38.814 -19.655 -12.928 1.00 0.00 C ATOM 1356 CD ARG A 88 -39.328 -20.991 -13.468 1.00 0.00 C ATOM 1357 NE ARG A 88 -38.472 -22.097 -12.953 1.00 0.00 N ATOM 1358 CZ ARG A 88 -39.021 -23.141 -12.394 1.00 0.00 C ATOM 1359 NH1 ARG A 88 -39.925 -22.984 -11.465 1.00 0.00 N ATOM 1360 NH2 ARG A 88 -38.665 -24.341 -12.763 1.00 0.00 N ATOM 0 H ARG A 88 -39.946 -17.208 -10.872 1.00 0.00 H new ATOM 0 HA ARG A 88 -38.240 -17.049 -13.341 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -40.754 -18.710 -12.815 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -39.976 -18.551 -14.378 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -37.828 -19.439 -13.339 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -38.703 -19.707 -11.845 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -40.363 -21.145 -13.162 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -39.315 -20.984 -14.558 1.00 0.00 H new ATOM 0 HE ARG A 88 -37.457 -22.038 -13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -40.202 -22.046 -11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -40.354 -23.800 -11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -37.958 -24.463 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -39.094 -25.157 -12.326 1.00 0.00 H new ATOM 1374 N LEU A 89 -40.386 -15.099 -12.486 1.00 0.00 N ATOM 1375 CA LEU A 89 -41.294 -13.982 -12.870 1.00 0.00 C ATOM 1376 C LEU A 89 -40.766 -13.310 -14.138 1.00 0.00 C ATOM 1377 O LEU A 89 -41.492 -13.095 -15.088 1.00 0.00 O ATOM 1378 CB LEU A 89 -41.351 -12.956 -11.737 1.00 0.00 C ATOM 1379 CG LEU A 89 -42.517 -11.995 -11.979 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -43.830 -12.677 -11.590 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -42.325 -10.736 -11.130 1.00 0.00 C ATOM 0 H LEU A 89 -39.983 -15.030 -11.552 1.00 0.00 H new ATOM 0 HA LEU A 89 -42.294 -14.375 -13.054 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -41.475 -13.462 -10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -40.414 -12.402 -11.686 1.00 0.00 H new ATOM 0 HG LEU A 89 -42.549 -11.721 -13.034 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -44.661 -11.992 -11.762 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -43.967 -13.574 -12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -43.799 -12.952 -10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -43.155 -10.051 -11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -42.293 -11.010 -10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -41.390 -10.249 -11.407 1.00 0.00 H new ATOM 1393 N GLN A 90 -39.505 -12.975 -14.161 1.00 0.00 N ATOM 1394 CA GLN A 90 -38.930 -12.317 -15.368 1.00 0.00 C ATOM 1395 C GLN A 90 -39.238 -13.162 -16.606 1.00 0.00 C ATOM 1396 O GLN A 90 -39.557 -12.645 -17.659 1.00 0.00 O ATOM 1397 CB GLN A 90 -37.415 -12.185 -15.203 1.00 0.00 C ATOM 1398 CG GLN A 90 -37.109 -11.408 -13.921 1.00 0.00 C ATOM 1399 CD GLN A 90 -35.595 -11.358 -13.705 1.00 0.00 C ATOM 1400 OE1 GLN A 90 -34.859 -12.118 -14.301 1.00 0.00 O ATOM 1401 NE2 GLN A 90 -35.097 -10.485 -12.871 1.00 0.00 N ATOM 0 H GLN A 90 -38.848 -13.129 -13.396 1.00 0.00 H new ATOM 0 HA GLN A 90 -39.370 -11.327 -15.487 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -36.955 -13.172 -15.161 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -36.988 -11.671 -16.064 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -37.511 -10.397 -13.991 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -37.593 -11.885 -13.069 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -35.716 -9.847 -12.371 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -34.089 -10.441 -12.720 1.00 0.00 H new ATOM 1410 N ASP A 91 -39.145 -14.459 -16.490 1.00 0.00 N ATOM 1411 CA ASP A 91 -39.433 -15.333 -17.662 1.00 0.00 C ATOM 1412 C ASP A 91 -40.933 -15.307 -17.962 1.00 0.00 C ATOM 1413 O ASP A 91 -41.346 -15.216 -19.102 1.00 0.00 O ATOM 1414 CB ASP A 91 -39.000 -16.767 -17.347 1.00 0.00 C ATOM 1415 CG ASP A 91 -37.477 -16.822 -17.216 1.00 0.00 C ATOM 1416 OD1 ASP A 91 -36.837 -15.840 -17.554 1.00 0.00 O ATOM 1417 OD2 ASP A 91 -36.976 -17.846 -16.781 1.00 0.00 O ATOM 0 H ASP A 91 -38.882 -14.950 -15.635 1.00 0.00 H new ATOM 0 HA ASP A 91 -38.883 -14.970 -18.530 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -39.468 -17.105 -16.422 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -39.332 -17.441 -18.137 1.00 0.00 H new ATOM 1422 N ARG A 92 -41.752 -15.384 -16.950 1.00 0.00 N ATOM 1423 CA ARG A 92 -43.224 -15.363 -17.179 1.00 0.00 C ATOM 1424 C ARG A 92 -43.639 -13.986 -17.702 1.00 0.00 C ATOM 1425 O ARG A 92 -44.640 -13.843 -18.376 1.00 0.00 O ATOM 1426 CB ARG A 92 -43.950 -15.649 -15.863 1.00 0.00 C ATOM 1427 CG ARG A 92 -43.595 -17.056 -15.379 1.00 0.00 C ATOM 1428 CD ARG A 92 -44.389 -17.376 -14.112 1.00 0.00 C ATOM 1429 NE ARG A 92 -43.933 -18.680 -13.555 1.00 0.00 N ATOM 1430 CZ ARG A 92 -44.109 -19.778 -14.238 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -45.308 -20.123 -14.622 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -43.087 -20.533 -14.537 1.00 0.00 N ATOM 0 H ARG A 92 -41.466 -15.461 -15.974 1.00 0.00 H new ATOM 0 HA ARG A 92 -43.488 -16.125 -17.912 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -43.666 -14.912 -15.111 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -45.027 -15.562 -16.004 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -43.820 -17.787 -16.156 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -42.526 -17.124 -15.178 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -44.251 -16.585 -13.374 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -45.454 -17.418 -14.339 1.00 0.00 H new ATOM 0 HE ARG A 92 -43.483 -18.715 -12.640 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -46.108 -19.534 -14.388 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -45.445 -20.981 -15.156 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -42.150 -20.265 -14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -43.226 -21.391 -15.071 1.00 0.00 H new ATOM 1446 N GLN A 93 -42.877 -12.972 -17.396 1.00 0.00 N ATOM 1447 CA GLN A 93 -43.229 -11.605 -17.876 1.00 0.00 C ATOM 1448 C GLN A 93 -44.619 -11.226 -17.358 1.00 0.00 C ATOM 1449 O GLN A 93 -45.457 -10.748 -18.097 1.00 0.00 O ATOM 1450 CB GLN A 93 -43.232 -11.587 -19.405 1.00 0.00 C ATOM 1451 CG GLN A 93 -41.832 -11.924 -19.921 1.00 0.00 C ATOM 1452 CD GLN A 93 -41.829 -11.891 -21.452 1.00 0.00 C ATOM 1453 OE1 GLN A 93 -42.873 -11.944 -22.073 1.00 0.00 O ATOM 1454 NE2 GLN A 93 -40.694 -11.803 -22.088 1.00 0.00 N ATOM 0 H GLN A 93 -42.027 -13.030 -16.835 1.00 0.00 H new ATOM 0 HA GLN A 93 -42.495 -10.889 -17.506 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -43.955 -12.308 -19.787 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -43.538 -10.606 -19.767 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -41.107 -11.210 -19.530 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -41.530 -12.910 -19.568 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -39.819 -11.759 -21.566 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -40.681 -11.779 -23.108 1.00 0.00 H new ATOM 1463 N MET A 94 -44.868 -11.435 -16.095 1.00 0.00 N ATOM 1464 CA MET A 94 -46.202 -11.087 -15.533 1.00 0.00 C ATOM 1465 C MET A 94 -46.028 -10.113 -14.365 1.00 0.00 C ATOM 1466 O MET A 94 -46.925 -9.914 -13.571 1.00 0.00 O ATOM 1467 CB MET A 94 -46.894 -12.359 -15.037 1.00 0.00 C ATOM 1468 CG MET A 94 -45.893 -13.211 -14.254 1.00 0.00 C ATOM 1469 SD MET A 94 -46.783 -14.480 -13.319 1.00 0.00 S ATOM 1470 CE MET A 94 -46.861 -13.590 -11.746 1.00 0.00 C ATOM 0 H MET A 94 -44.206 -11.832 -15.428 1.00 0.00 H new ATOM 0 HA MET A 94 -46.810 -10.619 -16.307 1.00 0.00 H new ATOM 0 HB2 MET A 94 -47.742 -12.101 -14.403 1.00 0.00 H new ATOM 0 HB3 MET A 94 -47.287 -12.925 -15.881 1.00 0.00 H new ATOM 0 HG2 MET A 94 -45.184 -13.678 -14.937 1.00 0.00 H new ATOM 0 HG3 MET A 94 -45.316 -12.582 -13.576 1.00 0.00 H new ATOM 0 HE1 MET A 94 -47.878 -13.628 -11.357 1.00 0.00 H new ATOM 0 HE2 MET A 94 -46.182 -14.054 -11.031 1.00 0.00 H new ATOM 0 HE3 MET A 94 -46.570 -12.551 -11.901 1.00 0.00 H new ATOM 1480 N VAL A 95 -44.879 -9.503 -14.255 1.00 0.00 N ATOM 1481 CA VAL A 95 -44.650 -8.543 -13.140 1.00 0.00 C ATOM 1482 C VAL A 95 -45.749 -7.478 -13.150 1.00 0.00 C ATOM 1483 O VAL A 95 -46.050 -6.872 -12.142 1.00 0.00 O ATOM 1484 CB VAL A 95 -43.287 -7.870 -13.318 1.00 0.00 C ATOM 1485 CG1 VAL A 95 -42.220 -8.937 -13.567 1.00 0.00 C ATOM 1486 CG2 VAL A 95 -43.343 -6.914 -14.512 1.00 0.00 C ATOM 0 H VAL A 95 -44.090 -9.628 -14.889 1.00 0.00 H new ATOM 0 HA VAL A 95 -44.670 -9.078 -12.190 1.00 0.00 H new ATOM 0 HB VAL A 95 -43.037 -7.311 -12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -41.249 -8.458 -13.694 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -42.181 -9.618 -12.716 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -42.469 -9.497 -14.468 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -42.373 -6.434 -14.640 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -43.593 -7.473 -15.414 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -44.103 -6.153 -14.334 1.00 0.00 H new ATOM 1496 N GLN A 96 -46.350 -7.244 -14.285 1.00 0.00 N ATOM 1497 CA GLN A 96 -47.429 -6.218 -14.360 1.00 0.00 C ATOM 1498 C GLN A 96 -48.730 -6.805 -13.814 1.00 0.00 C ATOM 1499 O GLN A 96 -49.053 -6.649 -12.653 1.00 0.00 O ATOM 1500 CB GLN A 96 -47.631 -5.796 -15.817 1.00 0.00 C ATOM 1501 CG GLN A 96 -46.440 -4.953 -16.275 1.00 0.00 C ATOM 1502 CD GLN A 96 -46.686 -4.457 -17.701 1.00 0.00 C ATOM 1503 OE1 GLN A 96 -47.661 -4.824 -18.325 1.00 0.00 O ATOM 1504 NE2 GLN A 96 -45.836 -3.630 -18.247 1.00 0.00 N ATOM 0 H GLN A 96 -46.141 -7.719 -15.163 1.00 0.00 H new ATOM 0 HA GLN A 96 -47.146 -5.349 -13.766 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.732 -6.677 -16.451 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -48.554 -5.225 -15.916 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -46.300 -4.106 -15.603 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -45.525 -5.545 -16.237 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -45.017 -3.321 -17.724 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -45.991 -3.293 -19.197 1.00 0.00 H new ATOM 1513 N GLN A 97 -49.480 -7.477 -14.643 1.00 0.00 N ATOM 1514 CA GLN A 97 -50.763 -8.077 -14.177 1.00 0.00 C ATOM 1515 C GLN A 97 -50.573 -8.658 -12.775 1.00 0.00 C ATOM 1516 O GLN A 97 -51.382 -8.455 -11.891 1.00 0.00 O ATOM 1517 CB GLN A 97 -51.183 -9.191 -15.137 1.00 0.00 C ATOM 1518 CG GLN A 97 -51.581 -8.584 -16.484 1.00 0.00 C ATOM 1519 CD GLN A 97 -51.706 -9.696 -17.527 1.00 0.00 C ATOM 1520 OE1 GLN A 97 -51.082 -10.732 -17.406 1.00 0.00 O ATOM 1521 NE2 GLN A 97 -52.492 -9.525 -18.556 1.00 0.00 N ATOM 0 H GLN A 97 -49.259 -7.637 -15.626 1.00 0.00 H new ATOM 0 HA GLN A 97 -51.536 -7.309 -14.151 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -50.363 -9.896 -15.273 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -52.019 -9.751 -14.717 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -52.527 -8.051 -16.390 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -50.835 -7.855 -16.801 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -53.016 -8.656 -18.659 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -52.582 -10.260 -19.257 1.00 0.00 H new ATOM 1530 N PHE A 98 -49.505 -9.377 -12.562 1.00 0.00 N ATOM 1531 CA PHE A 98 -49.265 -9.966 -11.215 1.00 0.00 C ATOM 1532 C PHE A 98 -49.118 -8.839 -10.195 1.00 0.00 C ATOM 1533 O PHE A 98 -49.684 -8.883 -9.121 1.00 0.00 O ATOM 1534 CB PHE A 98 -47.986 -10.810 -11.236 1.00 0.00 C ATOM 1535 CG PHE A 98 -47.799 -11.487 -9.896 1.00 0.00 C ATOM 1536 CD1 PHE A 98 -48.894 -11.672 -9.041 1.00 0.00 C ATOM 1537 CD2 PHE A 98 -46.529 -11.929 -9.508 1.00 0.00 C ATOM 1538 CE1 PHE A 98 -48.718 -12.300 -7.802 1.00 0.00 C ATOM 1539 CE2 PHE A 98 -46.354 -12.557 -8.268 1.00 0.00 C ATOM 1540 CZ PHE A 98 -47.448 -12.742 -7.415 1.00 0.00 C ATOM 0 H PHE A 98 -48.790 -9.581 -13.260 1.00 0.00 H new ATOM 0 HA PHE A 98 -50.106 -10.603 -10.942 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -48.045 -11.558 -12.027 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -47.126 -10.179 -11.458 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -49.874 -11.330 -9.338 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -45.684 -11.786 -10.165 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -49.563 -12.443 -7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -45.374 -12.899 -7.970 1.00 0.00 H new ATOM 0 HZ PHE A 98 -47.312 -13.225 -6.459 1.00 0.00 H new ATOM 1550 N LYS A 99 -48.370 -7.827 -10.527 1.00 0.00 N ATOM 1551 CA LYS A 99 -48.194 -6.692 -9.581 1.00 0.00 C ATOM 1552 C LYS A 99 -49.531 -5.970 -9.415 1.00 0.00 C ATOM 1553 O LYS A 99 -49.826 -5.419 -8.372 1.00 0.00 O ATOM 1554 CB LYS A 99 -47.151 -5.718 -10.134 1.00 0.00 C ATOM 1555 CG LYS A 99 -47.090 -4.476 -9.241 1.00 0.00 C ATOM 1556 CD LYS A 99 -45.996 -3.536 -9.749 1.00 0.00 C ATOM 1557 CE LYS A 99 -46.550 -2.675 -10.887 1.00 0.00 C ATOM 1558 NZ LYS A 99 -45.424 -2.165 -11.719 1.00 0.00 N ATOM 0 H LYS A 99 -47.872 -7.736 -11.413 1.00 0.00 H new ATOM 0 HA LYS A 99 -47.856 -7.068 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -46.174 -6.199 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -47.408 -5.433 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -48.053 -3.965 -9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -46.886 -4.766 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -45.642 -2.901 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -45.140 -4.113 -10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -47.233 -3.261 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -47.122 -1.841 -10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -45.801 -1.580 -12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -44.788 -1.591 -11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -44.896 -2.967 -12.118 1.00 0.00 H new ATOM 1572 N ARG A 100 -50.346 -5.976 -10.434 1.00 0.00 N ATOM 1573 CA ARG A 100 -51.667 -5.297 -10.335 1.00 0.00 C ATOM 1574 C ARG A 100 -52.587 -6.123 -9.437 1.00 0.00 C ATOM 1575 O ARG A 100 -53.174 -5.617 -8.501 1.00 0.00 O ATOM 1576 CB ARG A 100 -52.287 -5.175 -11.728 1.00 0.00 C ATOM 1577 CG ARG A 100 -51.548 -4.096 -12.523 1.00 0.00 C ATOM 1578 CD ARG A 100 -52.268 -3.860 -13.852 1.00 0.00 C ATOM 1579 NE ARG A 100 -53.546 -3.132 -13.603 1.00 0.00 N ATOM 1580 CZ ARG A 100 -54.664 -3.589 -14.097 1.00 0.00 C ATOM 1581 NH1 ARG A 100 -55.260 -2.946 -15.063 1.00 0.00 N ATOM 1582 NH2 ARG A 100 -55.186 -4.687 -13.625 1.00 0.00 N ATOM 0 H ARG A 100 -50.153 -6.422 -11.331 1.00 0.00 H new ATOM 0 HA ARG A 100 -51.537 -4.301 -9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -52.228 -6.131 -12.249 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -53.344 -4.922 -11.646 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -51.508 -3.170 -11.949 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -50.518 -4.404 -12.704 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -51.633 -3.283 -14.524 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -52.469 -4.812 -14.343 1.00 0.00 H new ATOM 0 HE ARG A 100 -53.546 -2.277 -13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -54.852 -2.087 -15.432 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -56.134 -3.302 -15.450 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -54.720 -5.189 -12.869 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -56.060 -5.044 -14.012 1.00 0.00 H new ATOM 1596 N GLU A 101 -52.710 -7.395 -9.703 1.00 0.00 N ATOM 1597 CA GLU A 101 -53.583 -8.245 -8.851 1.00 0.00 C ATOM 1598 C GLU A 101 -52.986 -8.302 -7.446 1.00 0.00 C ATOM 1599 O GLU A 101 -53.691 -8.346 -6.458 1.00 0.00 O ATOM 1600 CB GLU A 101 -53.655 -9.657 -9.438 1.00 0.00 C ATOM 1601 CG GLU A 101 -54.123 -9.580 -10.892 1.00 0.00 C ATOM 1602 CD GLU A 101 -55.499 -8.913 -10.949 1.00 0.00 C ATOM 1603 OE1 GLU A 101 -56.149 -8.854 -9.919 1.00 0.00 O ATOM 1604 OE2 GLU A 101 -55.878 -8.473 -12.022 1.00 0.00 O ATOM 0 H GLU A 101 -52.245 -7.879 -10.471 1.00 0.00 H new ATOM 0 HA GLU A 101 -54.588 -7.826 -8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -52.677 -10.135 -9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -54.342 -10.270 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -53.407 -9.013 -11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -54.173 -10.580 -11.323 1.00 0.00 H new ATOM 1611 N LEU A 102 -51.684 -8.295 -7.355 1.00 0.00 N ATOM 1612 CA LEU A 102 -51.028 -8.341 -6.021 1.00 0.00 C ATOM 1613 C LEU A 102 -51.412 -7.094 -5.224 1.00 0.00 C ATOM 1614 O LEU A 102 -51.738 -7.171 -4.058 1.00 0.00 O ATOM 1615 CB LEU A 102 -49.510 -8.384 -6.201 1.00 0.00 C ATOM 1616 CG LEU A 102 -49.079 -9.812 -6.537 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -47.561 -9.854 -6.728 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -49.478 -10.748 -5.394 1.00 0.00 C ATOM 0 H LEU A 102 -51.046 -8.259 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 102 -51.355 -9.232 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -49.208 -7.704 -6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -49.015 -8.048 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 102 -49.569 -10.134 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -47.252 -10.872 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -47.278 -9.188 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -47.070 -9.533 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -49.171 -11.766 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -48.989 -10.428 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -50.559 -10.717 -5.259 1.00 0.00 H new ATOM 1630 N MET A 103 -51.375 -5.943 -5.840 1.00 0.00 N ATOM 1631 CA MET A 103 -51.736 -4.696 -5.108 1.00 0.00 C ATOM 1632 C MET A 103 -53.117 -4.857 -4.467 1.00 0.00 C ATOM 1633 O MET A 103 -53.341 -4.450 -3.344 1.00 0.00 O ATOM 1634 CB MET A 103 -51.765 -3.521 -6.088 1.00 0.00 C ATOM 1635 CG MET A 103 -50.349 -2.967 -6.262 1.00 0.00 C ATOM 1636 SD MET A 103 -50.379 -1.595 -7.441 1.00 0.00 S ATOM 1637 CE MET A 103 -50.533 -0.258 -6.231 1.00 0.00 C ATOM 0 H MET A 103 -51.111 -5.813 -6.817 1.00 0.00 H new ATOM 0 HA MET A 103 -50.996 -4.506 -4.331 1.00 0.00 H new ATOM 0 HB2 MET A 103 -52.161 -3.846 -7.050 1.00 0.00 H new ATOM 0 HB3 MET A 103 -52.429 -2.741 -5.717 1.00 0.00 H new ATOM 0 HG2 MET A 103 -49.959 -2.627 -5.302 1.00 0.00 H new ATOM 0 HG3 MET A 103 -49.681 -3.752 -6.618 1.00 0.00 H new ATOM 0 HE1 MET A 103 -50.570 0.700 -6.750 1.00 0.00 H new ATOM 0 HE2 MET A 103 -51.447 -0.393 -5.654 1.00 0.00 H new ATOM 0 HE3 MET A 103 -49.674 -0.274 -5.560 1.00 0.00 H new ATOM 1647 N SER A 104 -54.046 -5.445 -5.170 1.00 0.00 N ATOM 1648 CA SER A 104 -55.411 -5.628 -4.599 1.00 0.00 C ATOM 1649 C SER A 104 -55.418 -6.839 -3.664 1.00 0.00 C ATOM 1650 O SER A 104 -56.220 -6.930 -2.756 1.00 0.00 O ATOM 1651 CB SER A 104 -56.410 -5.856 -5.735 1.00 0.00 C ATOM 1652 OG SER A 104 -56.179 -7.129 -6.320 1.00 0.00 O ATOM 0 H SER A 104 -53.919 -5.807 -6.115 1.00 0.00 H new ATOM 0 HA SER A 104 -55.692 -4.737 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 104 -57.430 -5.799 -5.354 1.00 0.00 H new ATOM 0 HB3 SER A 104 -56.306 -5.074 -6.487 1.00 0.00 H new ATOM 0 HG SER A 104 -55.222 -7.337 -6.283 1.00 0.00 H new ATOM 1658 N LEU A 105 -54.536 -7.775 -3.885 1.00 0.00 N ATOM 1659 CA LEU A 105 -54.494 -8.986 -3.016 1.00 0.00 C ATOM 1660 C LEU A 105 -54.665 -8.585 -1.547 1.00 0.00 C ATOM 1661 O LEU A 105 -55.475 -9.149 -0.838 1.00 0.00 O ATOM 1662 CB LEU A 105 -53.153 -9.700 -3.206 1.00 0.00 C ATOM 1663 CG LEU A 105 -53.261 -11.155 -2.736 1.00 0.00 C ATOM 1664 CD1 LEU A 105 -54.561 -11.773 -3.256 1.00 0.00 C ATOM 1665 CD2 LEU A 105 -52.071 -11.952 -3.274 1.00 0.00 C ATOM 0 H LEU A 105 -53.841 -7.754 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 105 -55.307 -9.657 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -52.861 -9.669 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -52.375 -9.185 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 105 -53.260 -11.182 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -54.633 -12.807 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -55.411 -11.207 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -54.567 -11.745 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -52.146 -12.987 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -52.075 -11.920 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -51.144 -11.517 -2.901 1.00 0.00 H new ATOM 1677 N PRO A 106 -53.895 -7.589 -1.077 1.00 0.00 N ATOM 1678 CA PRO A 106 -53.981 -7.122 0.312 1.00 0.00 C ATOM 1679 C PRO A 106 -55.319 -6.432 0.578 1.00 0.00 C ATOM 1680 O PRO A 106 -55.635 -6.068 1.693 1.00 0.00 O ATOM 1681 CB PRO A 106 -52.832 -6.119 0.428 1.00 0.00 C ATOM 1682 CG PRO A 106 -52.603 -5.655 -0.969 1.00 0.00 C ATOM 1683 CD PRO A 106 -52.890 -6.839 -1.850 1.00 0.00 C ATOM 0 HA PRO A 106 -53.913 -7.938 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -53.094 -5.289 1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -51.938 -6.585 0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -53.257 -4.818 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -51.578 -5.309 -1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -53.274 -6.534 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -51.995 -7.433 -2.032 1.00 0.00 H new ATOM 1691 N GLN A 107 -56.110 -6.261 -0.445 1.00 0.00 N ATOM 1692 CA GLN A 107 -57.434 -5.608 -0.267 1.00 0.00 C ATOM 1693 C GLN A 107 -58.503 -6.685 -0.098 1.00 0.00 C ATOM 1694 O GLN A 107 -59.333 -6.617 0.785 1.00 0.00 O ATOM 1695 CB GLN A 107 -57.756 -4.754 -1.495 1.00 0.00 C ATOM 1696 CG GLN A 107 -56.777 -3.582 -1.574 1.00 0.00 C ATOM 1697 CD GLN A 107 -57.075 -2.593 -0.447 1.00 0.00 C ATOM 1698 OE1 GLN A 107 -58.221 -2.304 -0.164 1.00 0.00 O ATOM 1699 NE2 GLN A 107 -56.085 -2.058 0.214 1.00 0.00 N ATOM 0 H GLN A 107 -55.894 -6.547 -1.400 1.00 0.00 H new ATOM 0 HA GLN A 107 -57.412 -4.970 0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -57.689 -5.359 -2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -58.779 -4.383 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -55.752 -3.944 -1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -56.864 -3.086 -2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -55.123 -2.301 -0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -56.273 -1.397 0.968 1.00 0.00 H new ATOM 1708 N GLN A 108 -58.489 -7.679 -0.943 1.00 0.00 N ATOM 1709 CA GLN A 108 -59.506 -8.763 -0.834 1.00 0.00 C ATOM 1710 C GLN A 108 -59.709 -9.127 0.639 1.00 0.00 C ATOM 1711 O GLN A 108 -60.766 -9.575 1.037 1.00 0.00 O ATOM 1712 CB GLN A 108 -59.024 -9.995 -1.603 1.00 0.00 C ATOM 1713 CG GLN A 108 -60.119 -11.063 -1.593 1.00 0.00 C ATOM 1714 CD GLN A 108 -59.692 -12.240 -2.470 1.00 0.00 C ATOM 1715 OE1 GLN A 108 -58.709 -12.160 -3.180 1.00 0.00 O ATOM 1716 NE2 GLN A 108 -60.395 -13.340 -2.452 1.00 0.00 N ATOM 0 H GLN A 108 -57.818 -7.788 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 108 -60.450 -8.418 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -58.776 -9.723 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -58.114 -10.387 -1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -60.301 -11.403 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -61.055 -10.643 -1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -61.220 -13.408 -1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -60.119 -14.131 -3.034 1.00 0.00 H new ATOM 1725 N CYS A 109 -58.706 -8.937 1.450 1.00 0.00 N ATOM 1726 CA CYS A 109 -58.842 -9.270 2.896 1.00 0.00 C ATOM 1727 C CYS A 109 -59.134 -7.993 3.687 1.00 0.00 C ATOM 1728 O CYS A 109 -59.637 -8.036 4.793 1.00 0.00 O ATOM 1729 CB CYS A 109 -57.540 -9.895 3.401 1.00 0.00 C ATOM 1730 SG CYS A 109 -57.683 -11.699 3.366 1.00 0.00 S ATOM 0 H CYS A 109 -57.797 -8.565 1.174 1.00 0.00 H new ATOM 0 HA CYS A 109 -59.660 -9.977 3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -56.705 -9.574 2.779 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -57.331 -9.556 4.416 1.00 0.00 H new ATOM 1735 N ASN A 110 -58.822 -6.855 3.128 1.00 0.00 N ATOM 1736 CA ASN A 110 -59.080 -5.572 3.843 1.00 0.00 C ATOM 1737 C ASN A 110 -58.005 -5.357 4.910 1.00 0.00 C ATOM 1738 O ASN A 110 -58.073 -4.432 5.696 1.00 0.00 O ATOM 1739 CB ASN A 110 -60.457 -5.622 4.510 1.00 0.00 C ATOM 1740 CG ASN A 110 -61.431 -6.395 3.618 1.00 0.00 C ATOM 1741 OD1 ASN A 110 -61.566 -6.101 2.448 1.00 0.00 O ATOM 1742 ND2 ASN A 110 -62.120 -7.381 4.127 1.00 0.00 N ATOM 0 H ASN A 110 -58.399 -6.758 2.205 1.00 0.00 H new ATOM 0 HA ASN A 110 -59.054 -4.749 3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -60.382 -6.102 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -60.827 -4.611 4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -62.771 -7.904 3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -62.007 -7.628 5.110 1.00 0.00 H new