USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=15 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 74 HIS : no HD1:sc= -0.51 X(o=-0.11,f=0.34) USER MOD Set 1.2: A 78 THR OG1 : rot 84:sc= 0.403 USER MOD Set 2.1: A 54 THR OG1 : rot -91:sc= 0.442 USER MOD Set 2.2: A 55 ASN : amide:sc= 0.417 X(o=0.86,f=1) 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 28 THR OG1 : rot 64:sc= 0.292! USER MOD Single : A 29 ASN :FLIP amide:sc= -0.285 F(o=-1.6,f=-0.29) USER MOD Single : A 34 ASN :FLIP amide:sc= -2.96 F(o=-6!,f=-3) USER MOD Single : A 37 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.35) USER MOD Single : A 38 GLN : amide:sc= -9.21! C(o=-9.2!,f=-15!) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.67 F(o=-2.1!,f=-0.67) USER MOD Single : A 43 ASN :FLIP amide:sc= -2.28! C(o=-6.2!,f=-2.3!) USER MOD Single : A 48 TYR OH : rot 97:sc= 1.45 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot -0:sc= 0.701 USER MOD Single : A 56 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.1!) USER MOD Single : A 59 GLN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 61 MET CE :methyl -112:sc= -3.13! (180deg=-6.5!) USER MOD Single : A 62 SER OG : rot -65:sc= 1.37 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 105:sc= 1.14 USER MOD Single : A 67 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.21) USER MOD Single : A 69 GLN : amide:sc= -7.6! C(o=-7.6!,f=-9.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -7.640 8.458 -0.333 1.00 0.00 N ATOM 197 CA VAL A 14 -7.559 8.901 -1.715 1.00 0.00 C ATOM 198 C VAL A 14 -6.235 9.621 -1.945 1.00 0.00 C ATOM 199 O VAL A 14 -5.563 9.407 -2.954 1.00 0.00 O ATOM 200 CB VAL A 14 -8.748 9.815 -2.094 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.399 10.738 -3.249 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.968 8.975 -2.447 1.00 0.00 C ATOM 0 HA VAL A 14 -7.610 8.022 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.977 10.435 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.259 11.365 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.556 11.370 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.131 10.143 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.797 9.631 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.732 8.329 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.249 8.363 -1.590 1.00 0.00 H new ATOM 212 N THR A 15 -5.854 10.453 -0.985 1.00 0.00 N ATOM 213 CA THR A 15 -4.564 11.116 -1.033 1.00 0.00 C ATOM 214 C THR A 15 -3.450 10.069 -1.064 1.00 0.00 C ATOM 215 O THR A 15 -2.551 10.116 -1.915 1.00 0.00 O ATOM 216 CB THR A 15 -4.368 12.046 0.181 1.00 0.00 C ATOM 217 OG1 THR A 15 -5.474 12.955 0.284 1.00 0.00 O ATOM 218 CG2 THR A 15 -3.075 12.839 0.064 1.00 0.00 C ATOM 0 H THR A 15 -6.420 10.682 -0.168 1.00 0.00 H new ATOM 0 HA THR A 15 -4.526 11.724 -1.937 1.00 0.00 H new ATOM 0 HB THR A 15 -4.314 11.424 1.075 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.344 13.542 1.058 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.965 13.486 0.935 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.230 12.152 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.102 13.448 -0.839 1.00 0.00 H new ATOM 226 N GLU A 16 -3.536 9.097 -0.159 1.00 0.00 N ATOM 227 CA GLU A 16 -2.541 8.042 -0.108 1.00 0.00 C ATOM 228 C GLU A 16 -2.571 7.205 -1.372 1.00 0.00 C ATOM 229 O GLU A 16 -1.526 6.844 -1.861 1.00 0.00 O ATOM 230 CB GLU A 16 -2.701 7.131 1.111 1.00 0.00 C ATOM 231 CG GLU A 16 -2.685 7.875 2.436 1.00 0.00 C ATOM 232 CD GLU A 16 -2.330 6.983 3.610 1.00 0.00 C ATOM 233 OE1 GLU A 16 -3.236 6.339 4.178 1.00 0.00 O ATOM 234 OE2 GLU A 16 -1.135 6.922 3.974 1.00 0.00 O ATOM 0 H GLU A 16 -4.276 9.022 0.539 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.576 8.542 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.639 6.583 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.899 6.393 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.968 8.694 2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.665 8.321 2.608 1.00 0.00 H new ATOM 241 N LEU A 17 -3.752 6.910 -1.919 1.00 0.00 N ATOM 242 CA LEU A 17 -3.820 6.052 -3.105 1.00 0.00 C ATOM 243 C LEU A 17 -3.147 6.719 -4.306 1.00 0.00 C ATOM 244 O LEU A 17 -2.484 6.052 -5.104 1.00 0.00 O ATOM 245 CB LEU A 17 -5.261 5.587 -3.428 1.00 0.00 C ATOM 246 CG LEU A 17 -6.272 6.636 -3.910 1.00 0.00 C ATOM 247 CD1 LEU A 17 -6.102 6.938 -5.394 1.00 0.00 C ATOM 248 CD2 LEU A 17 -7.688 6.155 -3.636 1.00 0.00 C ATOM 0 H LEU A 17 -4.652 7.242 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.261 5.145 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.197 4.811 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.668 5.119 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.087 7.558 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.835 7.685 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.097 7.320 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.252 6.025 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.400 6.905 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.863 5.218 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.818 5.997 -2.565 1.00 0.00 H new ATOM 260 N GLU A 18 -3.281 8.038 -4.416 1.00 0.00 N ATOM 261 CA GLU A 18 -2.562 8.778 -5.445 1.00 0.00 C ATOM 262 C GLU A 18 -1.073 8.754 -5.132 1.00 0.00 C ATOM 263 O GLU A 18 -0.230 8.815 -6.027 1.00 0.00 O ATOM 264 CB GLU A 18 -3.051 10.224 -5.541 1.00 0.00 C ATOM 265 CG GLU A 18 -4.504 10.351 -5.963 1.00 0.00 C ATOM 266 CD GLU A 18 -4.885 11.776 -6.306 1.00 0.00 C ATOM 267 OE1 GLU A 18 -5.135 12.573 -5.382 1.00 0.00 O ATOM 268 OE2 GLU A 18 -4.927 12.108 -7.510 1.00 0.00 O ATOM 0 H GLU A 18 -3.873 8.609 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.749 8.300 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.920 10.708 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.427 10.763 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.685 9.712 -6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.146 9.990 -5.159 1.00 0.00 H new ATOM 275 N CYS A 19 -0.771 8.635 -3.851 1.00 0.00 N ATOM 276 CA CYS A 19 0.598 8.556 -3.379 1.00 0.00 C ATOM 277 C CYS A 19 1.070 7.101 -3.378 1.00 0.00 C ATOM 278 O CYS A 19 2.214 6.802 -3.061 1.00 0.00 O ATOM 279 CB CYS A 19 0.685 9.154 -1.975 1.00 0.00 C ATOM 280 SG CYS A 19 2.378 9.501 -1.429 1.00 0.00 S ATOM 0 H CYS A 19 -1.469 8.590 -3.109 1.00 0.00 H new ATOM 0 HA CYS A 19 1.247 9.123 -4.046 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.108 10.078 -1.948 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.219 8.467 -1.268 1.00 0.00 H new ATOM 285 N ILE A 20 0.151 6.200 -3.704 1.00 0.00 N ATOM 286 CA ILE A 20 0.467 4.788 -3.892 1.00 0.00 C ATOM 287 C ILE A 20 0.686 4.516 -5.379 1.00 0.00 C ATOM 288 O ILE A 20 1.440 3.628 -5.769 1.00 0.00 O ATOM 289 CB ILE A 20 -0.680 3.864 -3.389 1.00 0.00 C ATOM 290 CG1 ILE A 20 -0.948 4.045 -1.890 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.361 2.402 -3.678 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.171 3.293 -1.405 1.00 0.00 C ATOM 0 H ILE A 20 -0.833 6.427 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 20 1.365 4.571 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.580 4.153 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.076 3.708 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.074 5.106 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.176 1.774 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.241 2.261 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.563 2.124 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.303 3.464 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.052 3.647 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.039 2.227 -1.588 1.00 0.00 H new ATOM 304 N ARG A 21 0.038 5.330 -6.201 1.00 0.00 N ATOM 305 CA ARG A 21 -0.047 5.070 -7.636 1.00 0.00 C ATOM 306 C ARG A 21 1.147 5.668 -8.364 1.00 0.00 C ATOM 307 O ARG A 21 1.321 5.472 -9.564 1.00 0.00 O ATOM 308 CB ARG A 21 -1.336 5.667 -8.195 1.00 0.00 C ATOM 309 CG ARG A 21 -1.893 4.947 -9.419 1.00 0.00 C ATOM 310 CD ARG A 21 -1.261 5.452 -10.703 1.00 0.00 C ATOM 311 NE ARG A 21 -1.525 4.572 -11.837 1.00 0.00 N ATOM 312 CZ ARG A 21 -0.567 4.026 -12.585 1.00 0.00 C ATOM 313 NH1 ARG A 21 0.711 4.222 -12.285 1.00 0.00 N ATOM 314 NH2 ARG A 21 -0.887 3.279 -13.633 1.00 0.00 N ATOM 0 H ARG A 21 -0.439 6.180 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.046 3.991 -7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.093 5.661 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.155 6.710 -8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.716 3.876 -9.323 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.973 5.089 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.641 6.449 -10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.184 5.546 -10.562 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.496 4.364 -12.070 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.964 4.793 -11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.440 3.802 -12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.867 3.122 -13.867 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.153 2.862 -14.205 1.00 0.00 H new ATOM 328 N LEU A 22 1.992 6.372 -7.627 1.00 0.00 N ATOM 329 CA LEU A 22 3.157 7.032 -8.208 1.00 0.00 C ATOM 330 C LEU A 22 4.211 5.997 -8.623 1.00 0.00 C ATOM 331 O LEU A 22 5.369 6.324 -8.888 1.00 0.00 O ATOM 332 CB LEU A 22 3.707 8.085 -7.213 1.00 0.00 C ATOM 333 CG LEU A 22 4.467 7.612 -5.942 1.00 0.00 C ATOM 334 CD1 LEU A 22 3.912 6.322 -5.347 1.00 0.00 C ATOM 335 CD2 LEU A 22 5.961 7.489 -6.207 1.00 0.00 C ATOM 0 H LEU A 22 1.894 6.503 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 22 2.869 7.560 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.377 8.741 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.865 8.694 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 22 4.307 8.387 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.490 6.051 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.869 6.470 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.980 5.522 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.465 7.156 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.131 6.764 -7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.358 8.458 -6.508 1.00 0.00 H new ATOM 347 N ARG A 23 3.759 4.740 -8.687 1.00 0.00 N ATOM 348 CA ARG A 23 4.592 3.564 -8.979 1.00 0.00 C ATOM 349 C ARG A 23 5.568 3.278 -7.839 1.00 0.00 C ATOM 350 O ARG A 23 6.144 2.191 -7.757 1.00 0.00 O ATOM 351 CB ARG A 23 5.352 3.708 -10.303 1.00 0.00 C ATOM 352 CG ARG A 23 5.968 2.399 -10.775 1.00 0.00 C ATOM 353 CD ARG A 23 6.796 2.571 -12.035 1.00 0.00 C ATOM 354 NE ARG A 23 7.269 1.282 -12.539 1.00 0.00 N ATOM 355 CZ ARG A 23 8.531 1.020 -12.872 1.00 0.00 C ATOM 356 NH1 ARG A 23 9.462 1.965 -12.787 1.00 0.00 N ATOM 357 NH2 ARG A 23 8.861 -0.193 -13.295 1.00 0.00 N ATOM 0 H ARG A 23 2.779 4.504 -8.533 1.00 0.00 H new ATOM 0 HA ARG A 23 3.912 2.718 -9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.672 4.081 -11.069 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.139 4.453 -10.186 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.596 1.990 -9.984 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.176 1.674 -10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.199 3.066 -12.801 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.648 3.218 -11.827 1.00 0.00 H new ATOM 0 HE ARG A 23 6.585 0.532 -12.642 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.212 2.900 -12.465 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.427 1.755 -13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.149 -0.920 -13.364 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.827 -0.399 -13.551 1.00 0.00 H new ATOM 371 N ILE A 24 5.727 4.255 -6.956 1.00 0.00 N ATOM 372 CA ILE A 24 6.583 4.133 -5.790 1.00 0.00 C ATOM 373 C ILE A 24 8.046 4.001 -6.227 1.00 0.00 C ATOM 374 O ILE A 24 8.638 4.972 -6.695 1.00 0.00 O ATOM 375 CB ILE A 24 6.150 2.930 -4.915 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.626 2.951 -4.672 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.891 2.918 -3.592 1.00 0.00 C ATOM 378 CD1 ILE A 24 4.196 3.655 -3.399 1.00 0.00 C ATOM 0 H ILE A 24 5.261 5.159 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 24 6.484 5.034 -5.184 1.00 0.00 H new ATOM 0 HB ILE A 24 6.405 2.019 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.143 3.437 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.262 1.924 -4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.566 2.062 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.963 2.845 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.678 3.838 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.110 3.620 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.645 3.158 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.524 4.694 -3.429 1.00 0.00 H new ATOM 390 N SER A 25 8.585 2.796 -6.107 1.00 0.00 N ATOM 391 CA SER A 25 9.941 2.460 -6.535 1.00 0.00 C ATOM 392 C SER A 25 10.284 1.054 -6.023 1.00 0.00 C ATOM 393 O SER A 25 10.662 0.185 -6.807 1.00 0.00 O ATOM 394 CB SER A 25 10.990 3.482 -6.062 1.00 0.00 C ATOM 395 OG SER A 25 12.281 3.168 -6.562 1.00 0.00 O ATOM 0 H SER A 25 8.083 2.006 -5.701 1.00 0.00 H new ATOM 0 HA SER A 25 9.968 2.486 -7.624 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.703 4.480 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.015 3.502 -4.972 1.00 0.00 H new ATOM 0 HG SER A 25 12.925 3.835 -6.246 1.00 0.00 H new ATOM 401 N PRO A 26 10.169 0.825 -4.687 1.00 0.00 N ATOM 402 CA PRO A 26 10.324 -0.507 -4.056 1.00 0.00 C ATOM 403 C PRO A 26 9.461 -1.629 -4.660 1.00 0.00 C ATOM 404 O PRO A 26 8.760 -1.445 -5.654 1.00 0.00 O ATOM 405 CB PRO A 26 9.868 -0.220 -2.622 1.00 0.00 C ATOM 406 CG PRO A 26 10.325 1.161 -2.391 1.00 0.00 C ATOM 407 CD PRO A 26 9.962 1.864 -3.650 1.00 0.00 C ATOM 0 HA PRO A 26 11.339 -0.883 -4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.787 -0.308 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.314 -0.916 -1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.833 1.607 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.398 1.202 -2.204 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.931 2.216 -3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.593 2.736 -3.821 1.00 0.00 H new ATOM 415 N GLU A 27 9.501 -2.792 -3.994 1.00 0.00 N ATOM 416 CA GLU A 27 8.774 -4.004 -4.416 1.00 0.00 C ATOM 417 C GLU A 27 7.262 -3.821 -4.388 1.00 0.00 C ATOM 418 O GLU A 27 6.529 -4.770 -4.660 1.00 0.00 O ATOM 419 CB GLU A 27 9.140 -5.205 -3.537 1.00 0.00 C ATOM 420 CG GLU A 27 10.615 -5.564 -3.583 1.00 0.00 C ATOM 421 CD GLU A 27 11.066 -5.952 -4.974 1.00 0.00 C ATOM 422 OE1 GLU A 27 11.308 -5.049 -5.797 1.00 0.00 O ATOM 423 OE2 GLU A 27 11.172 -7.164 -5.253 1.00 0.00 O ATOM 0 H GLU A 27 10.043 -2.922 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 27 9.080 -4.190 -5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.859 -4.989 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.554 -6.068 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.205 -4.716 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.808 -6.389 -2.897 1.00 0.00 H new ATOM 430 N THR A 28 6.819 -2.627 -4.001 1.00 0.00 N ATOM 431 CA THR A 28 5.407 -2.275 -3.928 1.00 0.00 C ATOM 432 C THR A 28 4.551 -2.973 -4.989 1.00 0.00 C ATOM 433 O THR A 28 3.577 -3.645 -4.648 1.00 0.00 O ATOM 434 CB THR A 28 5.241 -0.743 -4.075 1.00 0.00 C ATOM 435 OG1 THR A 28 3.858 -0.370 -4.053 1.00 0.00 O ATOM 436 CG2 THR A 28 5.862 -0.257 -5.367 1.00 0.00 C ATOM 0 H THR A 28 7.442 -1.867 -3.726 1.00 0.00 H new ATOM 0 HA THR A 28 5.055 -2.615 -2.954 1.00 0.00 H new ATOM 0 HB THR A 28 5.750 -0.279 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.473 -0.591 -3.179 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.733 0.822 -5.449 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.925 -0.497 -5.373 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.375 -0.746 -6.211 1.00 0.00 H new ATOM 444 N ASN A 29 4.946 -2.866 -6.252 1.00 0.00 N ATOM 445 CA ASN A 29 4.107 -3.326 -7.341 1.00 0.00 C ATOM 446 C ASN A 29 3.858 -4.812 -7.203 1.00 0.00 C ATOM 447 O ASN A 29 2.717 -5.242 -7.095 1.00 0.00 O ATOM 448 CB ASN A 29 4.745 -3.021 -8.701 1.00 0.00 C ATOM 449 CG ASN A 29 5.029 -1.543 -8.927 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.242 -0.663 -8.319 1.00 0.00 O flip ATOM 451 ND2 ASN A 29 5.960 -1.192 -9.646 1.00 0.00 N flip ATOM 0 H ASN A 29 5.838 -2.466 -6.542 1.00 0.00 H new ATOM 0 HA ASN A 29 3.157 -2.793 -7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.678 -3.578 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.085 -3.380 -9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.547 -1.893 -10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.147 -0.200 -9.790 1.00 0.00 H new ATOM 458 N ALA A 30 4.936 -5.580 -7.145 1.00 0.00 N ATOM 459 CA ALA A 30 4.844 -7.026 -7.066 1.00 0.00 C ATOM 460 C ALA A 30 4.229 -7.464 -5.743 1.00 0.00 C ATOM 461 O ALA A 30 3.229 -8.188 -5.718 1.00 0.00 O ATOM 462 CB ALA A 30 6.225 -7.634 -7.232 1.00 0.00 C ATOM 0 H ALA A 30 5.890 -5.220 -7.151 1.00 0.00 H new ATOM 0 HA ALA A 30 4.196 -7.377 -7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.154 -8.720 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.634 -7.350 -8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.881 -7.269 -6.441 1.00 0.00 H new ATOM 468 N ALA A 31 4.812 -6.989 -4.649 1.00 0.00 N ATOM 469 CA ALA A 31 4.409 -7.413 -3.318 1.00 0.00 C ATOM 470 C ALA A 31 2.935 -7.129 -3.063 1.00 0.00 C ATOM 471 O ALA A 31 2.150 -8.057 -2.881 1.00 0.00 O ATOM 472 CB ALA A 31 5.270 -6.741 -2.269 1.00 0.00 C ATOM 0 H ALA A 31 5.570 -6.306 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 31 4.552 -8.492 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.957 -7.068 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.314 -7.011 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.160 -5.659 -2.346 1.00 0.00 H new ATOM 478 N PHE A 32 2.560 -5.851 -3.030 1.00 0.00 N ATOM 479 CA PHE A 32 1.157 -5.479 -2.890 1.00 0.00 C ATOM 480 C PHE A 32 0.286 -6.101 -3.977 1.00 0.00 C ATOM 481 O PHE A 32 -0.890 -6.306 -3.758 1.00 0.00 O ATOM 482 CB PHE A 32 0.988 -3.961 -2.883 1.00 0.00 C ATOM 483 CG PHE A 32 1.892 -3.360 -1.877 1.00 0.00 C ATOM 484 CD1 PHE A 32 1.977 -3.916 -0.621 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.735 -2.332 -2.214 1.00 0.00 C ATOM 486 CE1 PHE A 32 2.884 -3.441 0.288 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.665 -1.874 -1.318 1.00 0.00 C ATOM 488 CZ PHE A 32 3.739 -2.428 -0.069 1.00 0.00 C ATOM 0 H PHE A 32 3.204 -5.063 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 32 0.822 -5.874 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.209 -3.557 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.046 -3.702 -2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.324 -4.732 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.665 -1.880 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.927 -3.862 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.338 -1.077 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.472 -2.067 0.638 1.00 0.00 H new ATOM 498 N ASP A 33 0.843 -6.422 -5.141 1.00 0.00 N ATOM 499 CA ASP A 33 0.049 -7.051 -6.184 1.00 0.00 C ATOM 500 C ASP A 33 -0.555 -8.345 -5.656 1.00 0.00 C ATOM 501 O ASP A 33 -1.778 -8.474 -5.574 1.00 0.00 O ATOM 502 CB ASP A 33 0.885 -7.320 -7.431 1.00 0.00 C ATOM 503 CG ASP A 33 0.041 -7.751 -8.610 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.539 -6.869 -9.283 1.00 0.00 O ATOM 505 OD2 ASP A 33 -0.035 -8.969 -8.873 1.00 0.00 O ATOM 0 H ASP A 33 1.821 -6.260 -5.381 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.753 -6.369 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.439 -6.419 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.620 -8.094 -7.212 1.00 0.00 H new ATOM 510 N ASN A 34 0.295 -9.278 -5.236 1.00 0.00 N ATOM 511 CA ASN A 34 -0.206 -10.528 -4.664 1.00 0.00 C ATOM 512 C ASN A 34 -0.769 -10.308 -3.256 1.00 0.00 C ATOM 513 O ASN A 34 -1.626 -11.066 -2.789 1.00 0.00 O ATOM 514 CB ASN A 34 0.855 -11.644 -4.662 1.00 0.00 C ATOM 515 CG ASN A 34 2.263 -11.166 -4.370 1.00 0.00 C ATOM 516 OD1 ASN A 34 2.683 -11.270 -3.123 1.00 0.00 O flip ATOM 517 ND2 ASN A 34 2.986 -10.759 -5.274 1.00 0.00 N flip ATOM 0 H ASN A 34 1.311 -9.198 -5.278 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.017 -10.862 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.577 -12.392 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.846 -12.139 -5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.625 -10.693 -6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.948 -10.487 -5.074 1.00 0.00 H new ATOM 524 N ALA A 35 -0.314 -9.258 -2.587 1.00 0.00 N ATOM 525 CA ALA A 35 -0.841 -8.912 -1.270 1.00 0.00 C ATOM 526 C ALA A 35 -2.302 -8.483 -1.366 1.00 0.00 C ATOM 527 O ALA A 35 -3.183 -9.071 -0.737 1.00 0.00 O ATOM 528 CB ALA A 35 -0.004 -7.815 -0.630 1.00 0.00 C ATOM 0 H ALA A 35 0.415 -8.632 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.787 -9.799 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.412 -7.571 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.024 -8.160 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.023 -6.927 -1.262 1.00 0.00 H new ATOM 534 N VAL A 36 -2.556 -7.470 -2.175 1.00 0.00 N ATOM 535 CA VAL A 36 -3.896 -6.960 -2.389 1.00 0.00 C ATOM 536 C VAL A 36 -4.732 -7.994 -3.125 1.00 0.00 C ATOM 537 O VAL A 36 -5.958 -7.934 -3.120 1.00 0.00 O ATOM 538 CB VAL A 36 -3.848 -5.638 -3.175 1.00 0.00 C ATOM 539 CG1 VAL A 36 -5.220 -5.005 -3.251 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.842 -4.684 -2.543 1.00 0.00 C ATOM 0 H VAL A 36 -1.836 -6.977 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.359 -6.763 -1.422 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.525 -5.854 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.160 -4.072 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.908 -5.686 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.583 -4.800 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.818 -3.753 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.135 -4.476 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.852 -5.140 -2.553 1.00 0.00 H new ATOM 550 N GLN A 37 -4.053 -8.943 -3.752 1.00 0.00 N ATOM 551 CA GLN A 37 -4.706 -10.129 -4.275 1.00 0.00 C ATOM 552 C GLN A 37 -5.346 -10.913 -3.126 1.00 0.00 C ATOM 553 O GLN A 37 -6.466 -11.407 -3.250 1.00 0.00 O ATOM 554 CB GLN A 37 -3.691 -10.994 -5.020 1.00 0.00 C ATOM 555 CG GLN A 37 -4.051 -11.244 -6.479 1.00 0.00 C ATOM 556 CD GLN A 37 -4.027 -9.980 -7.314 1.00 0.00 C ATOM 557 OE1 GLN A 37 -5.028 -9.273 -7.425 1.00 0.00 O ATOM 558 NE2 GLN A 37 -2.881 -9.691 -7.914 1.00 0.00 N ATOM 0 H GLN A 37 -3.046 -8.912 -3.910 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.488 -9.836 -4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.714 -10.513 -4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.599 -11.952 -4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.353 -11.967 -6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.044 -11.690 -6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.075 -10.304 -7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.806 -8.855 -8.494 1.00 0.00 H new ATOM 567 N GLN A 38 -4.623 -11.007 -2.003 1.00 0.00 N ATOM 568 CA GLN A 38 -5.163 -11.613 -0.773 1.00 0.00 C ATOM 569 C GLN A 38 -6.407 -10.891 -0.295 1.00 0.00 C ATOM 570 O GLN A 38 -7.498 -11.460 -0.278 1.00 0.00 O ATOM 571 CB GLN A 38 -4.160 -11.553 0.374 1.00 0.00 C ATOM 572 CG GLN A 38 -2.868 -12.261 0.107 1.00 0.00 C ATOM 573 CD GLN A 38 -1.800 -11.749 1.027 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.928 -12.494 1.442 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.865 -10.447 1.334 1.00 0.00 N ATOM 0 H GLN A 38 -3.663 -10.672 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.390 -12.647 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.947 -10.508 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.619 -11.984 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.997 -13.334 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.569 -12.109 -0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.618 -9.871 0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.162 -10.031 1.944 1.00 0.00 H new ATOM 584 N LEU A 39 -6.233 -9.625 0.098 1.00 0.00 N ATOM 585 CA LEU A 39 -7.338 -8.855 0.673 1.00 0.00 C ATOM 586 C LEU A 39 -8.365 -8.537 -0.397 1.00 0.00 C ATOM 587 O LEU A 39 -9.434 -8.009 -0.107 1.00 0.00 O ATOM 588 CB LEU A 39 -6.842 -7.566 1.333 1.00 0.00 C ATOM 589 CG LEU A 39 -5.799 -6.789 0.537 1.00 0.00 C ATOM 590 CD1 LEU A 39 -5.935 -5.305 0.765 1.00 0.00 C ATOM 591 CD2 LEU A 39 -4.413 -7.197 0.950 1.00 0.00 C ATOM 0 H LEU A 39 -5.350 -9.118 0.030 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.804 -9.465 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.698 -6.915 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.421 -7.814 2.307 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.964 -7.015 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.178 -4.777 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.926 -4.978 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.799 -5.086 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.680 -6.633 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.274 -6.991 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.277 -8.263 0.766 1.00 0.00 H new ATOM 603 N ASN A 40 -7.984 -8.858 -1.629 1.00 0.00 N ATOM 604 CA ASN A 40 -8.835 -8.826 -2.825 1.00 0.00 C ATOM 605 C ASN A 40 -9.766 -7.630 -2.881 1.00 0.00 C ATOM 606 O ASN A 40 -10.897 -7.705 -3.356 1.00 0.00 O ATOM 607 CB ASN A 40 -9.554 -10.171 -3.016 1.00 0.00 C ATOM 608 CG ASN A 40 -10.882 -10.366 -2.271 1.00 0.00 C ATOM 609 OD1 ASN A 40 -11.019 -9.825 -1.073 1.00 0.00 O flip ATOM 610 ND2 ASN A 40 -11.784 -11.031 -2.780 1.00 0.00 N flip ATOM 0 H ASN A 40 -7.032 -9.162 -1.836 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.177 -8.684 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.741 -10.306 -4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.874 -10.965 -2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.656 -11.439 -3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.659 -11.174 -2.276 1.00 0.00 H new ATOM 617 N CYS A 41 -9.244 -6.513 -2.423 1.00 0.00 N ATOM 618 CA CYS A 41 -9.900 -5.236 -2.572 1.00 0.00 C ATOM 619 C CYS A 41 -9.657 -4.717 -3.979 1.00 0.00 C ATOM 620 O CYS A 41 -10.299 -3.760 -4.419 1.00 0.00 O ATOM 621 CB CYS A 41 -9.328 -4.260 -1.551 1.00 0.00 C ATOM 622 SG CYS A 41 -9.682 -4.684 0.190 1.00 0.00 S ATOM 0 H CYS A 41 -8.349 -6.467 -1.935 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.972 -5.341 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.248 -4.206 -1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.725 -3.266 -1.757 1.00 0.00 H new ATOM 627 N LEU A 42 -8.708 -5.371 -4.666 1.00 0.00 N ATOM 628 CA LEU A 42 -8.251 -4.984 -6.002 1.00 0.00 C ATOM 629 C LEU A 42 -7.455 -3.685 -5.923 1.00 0.00 C ATOM 630 O LEU A 42 -6.296 -3.622 -6.334 1.00 0.00 O ATOM 631 CB LEU A 42 -9.437 -4.863 -6.977 1.00 0.00 C ATOM 632 CG LEU A 42 -9.087 -4.900 -8.474 1.00 0.00 C ATOM 633 CD1 LEU A 42 -8.478 -3.585 -8.937 1.00 0.00 C ATOM 634 CD2 LEU A 42 -8.139 -6.056 -8.768 1.00 0.00 C ATOM 0 H LEU A 42 -8.232 -6.195 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.595 -5.763 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.137 -5.672 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.958 -3.929 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.013 -5.051 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.243 -3.647 -10.000 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.189 -2.776 -8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.565 -3.389 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.900 -6.069 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.222 -5.930 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.615 -6.997 -8.491 1.00 0.00 H new ATOM 646 N ASN A 43 -8.079 -2.664 -5.366 1.00 0.00 N ATOM 647 CA ASN A 43 -7.440 -1.382 -5.164 1.00 0.00 C ATOM 648 C ASN A 43 -6.414 -1.493 -4.041 1.00 0.00 C ATOM 649 O ASN A 43 -6.643 -2.164 -3.029 1.00 0.00 O ATOM 650 CB ASN A 43 -8.498 -0.327 -4.827 1.00 0.00 C ATOM 651 CG ASN A 43 -8.934 -0.394 -3.379 1.00 0.00 C ATOM 652 OD1 ASN A 43 -8.308 0.425 -2.553 1.00 0.00 O flip ATOM 653 ND2 ASN A 43 -9.828 -1.154 -3.012 1.00 0.00 N flip ATOM 0 H ASN A 43 -9.045 -2.703 -5.041 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.926 -1.080 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.099 0.665 -5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.365 -0.466 -5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.283 -1.769 -3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.114 -1.169 -2.033 1.00 0.00 H new ATOM 660 N ARG A 44 -5.288 -0.823 -4.214 1.00 0.00 N ATOM 661 CA ARG A 44 -4.182 -0.944 -3.277 1.00 0.00 C ATOM 662 C ARG A 44 -4.357 -0.016 -2.080 1.00 0.00 C ATOM 663 O ARG A 44 -3.671 -0.161 -1.069 1.00 0.00 O ATOM 664 CB ARG A 44 -2.843 -0.680 -3.974 1.00 0.00 C ATOM 665 CG ARG A 44 -2.342 -1.863 -4.797 1.00 0.00 C ATOM 666 CD ARG A 44 -3.164 -2.081 -6.062 1.00 0.00 C ATOM 667 NE ARG A 44 -3.073 -3.459 -6.544 1.00 0.00 N ATOM 668 CZ ARG A 44 -2.212 -3.882 -7.470 1.00 0.00 C ATOM 669 NH1 ARG A 44 -1.342 -3.045 -8.021 1.00 0.00 N ATOM 670 NH2 ARG A 44 -2.224 -5.152 -7.841 1.00 0.00 N ATOM 0 H ARG A 44 -5.114 -0.189 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.180 -1.968 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.946 0.188 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.095 -0.427 -3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.299 -1.698 -5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.373 -2.766 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.207 -1.835 -5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.818 -1.401 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.713 -4.145 -6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.327 -2.065 -7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.689 -3.381 -8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.889 -5.800 -7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.568 -5.483 -8.549 1.00 0.00 H new ATOM 684 N ALA A 45 -5.284 0.928 -2.194 1.00 0.00 N ATOM 685 CA ALA A 45 -5.607 1.811 -1.078 1.00 0.00 C ATOM 686 C ALA A 45 -6.234 1.026 0.073 1.00 0.00 C ATOM 687 O ALA A 45 -6.086 1.385 1.228 1.00 0.00 O ATOM 688 CB ALA A 45 -6.539 2.925 -1.528 1.00 0.00 C ATOM 0 H ALA A 45 -5.823 1.102 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.679 2.258 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.768 3.572 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.056 3.509 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.462 2.493 -1.914 1.00 0.00 H new ATOM 694 N CYS A 46 -6.920 -0.064 -0.257 1.00 0.00 N ATOM 695 CA CYS A 46 -7.542 -0.919 0.748 1.00 0.00 C ATOM 696 C CYS A 46 -6.454 -1.665 1.511 1.00 0.00 C ATOM 697 O CYS A 46 -6.559 -1.952 2.710 1.00 0.00 O ATOM 698 CB CYS A 46 -8.490 -1.900 0.055 1.00 0.00 C ATOM 699 SG CYS A 46 -9.512 -2.912 1.171 1.00 0.00 S ATOM 0 H CYS A 46 -7.060 -0.377 -1.218 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.116 -0.319 1.454 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.150 -1.337 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.901 -2.566 -0.575 1.00 0.00 H new ATOM 704 N ALA A 47 -5.382 -1.935 0.799 1.00 0.00 N ATOM 705 CA ALA A 47 -4.219 -2.589 1.374 1.00 0.00 C ATOM 706 C ALA A 47 -3.512 -1.652 2.346 1.00 0.00 C ATOM 707 O ALA A 47 -3.228 -2.008 3.490 1.00 0.00 O ATOM 708 CB ALA A 47 -3.286 -3.028 0.270 1.00 0.00 C ATOM 0 H ALA A 47 -5.288 -1.710 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.539 -3.470 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.414 -3.518 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.804 -3.725 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.965 -2.158 -0.303 1.00 0.00 H new ATOM 714 N TYR A 48 -3.253 -0.437 1.905 1.00 0.00 N ATOM 715 CA TYR A 48 -2.664 0.551 2.786 1.00 0.00 C ATOM 716 C TYR A 48 -3.707 1.073 3.777 1.00 0.00 C ATOM 717 O TYR A 48 -3.376 1.770 4.730 1.00 0.00 O ATOM 718 CB TYR A 48 -1.978 1.671 1.994 1.00 0.00 C ATOM 719 CG TYR A 48 -0.521 1.359 1.694 1.00 0.00 C ATOM 720 CD1 TYR A 48 0.270 0.761 2.664 1.00 0.00 C ATOM 721 CD2 TYR A 48 0.068 1.645 0.459 1.00 0.00 C ATOM 722 CE1 TYR A 48 1.595 0.461 2.429 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.397 1.343 0.221 1.00 0.00 C ATOM 724 CZ TYR A 48 2.150 0.756 1.209 1.00 0.00 C ATOM 725 OH TYR A 48 3.470 0.474 0.979 1.00 0.00 O ATOM 0 H TYR A 48 -3.438 -0.113 0.956 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.878 0.073 3.371 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.513 1.831 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.039 2.601 2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.162 0.525 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.522 2.107 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.192 -0.003 3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.841 1.568 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 48 3.545 -0.386 0.516 1.00 0.00 H new ATOM 735 N ARG A 49 -4.971 0.704 3.559 1.00 0.00 N ATOM 736 CA ARG A 49 -5.996 0.848 4.587 1.00 0.00 C ATOM 737 C ARG A 49 -5.650 -0.076 5.752 1.00 0.00 C ATOM 738 O ARG A 49 -5.789 0.312 6.897 1.00 0.00 O ATOM 739 CB ARG A 49 -7.391 0.526 4.043 1.00 0.00 C ATOM 740 CG ARG A 49 -8.493 0.570 5.096 1.00 0.00 C ATOM 741 CD ARG A 49 -9.867 0.348 4.480 1.00 0.00 C ATOM 742 NE ARG A 49 -10.254 1.441 3.587 1.00 0.00 N ATOM 743 CZ ARG A 49 -10.953 1.275 2.464 1.00 0.00 C ATOM 744 NH1 ARG A 49 -11.342 0.063 2.088 1.00 0.00 N ATOM 745 NH2 ARG A 49 -11.275 2.326 1.721 1.00 0.00 N ATOM 0 H ARG A 49 -5.306 0.305 2.682 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.017 1.885 4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.632 1.233 3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.374 -0.466 3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.305 -0.193 5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.473 1.534 5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.868 -0.590 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.608 0.249 5.274 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.972 2.388 3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.106 -0.748 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.877 -0.057 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.988 3.261 2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.810 2.199 0.862 1.00 0.00 H new ATOM 759 N LYS A 50 -5.190 -1.306 5.456 1.00 0.00 N ATOM 760 CA LYS A 50 -4.585 -2.157 6.492 1.00 0.00 C ATOM 761 C LYS A 50 -3.557 -1.362 7.225 1.00 0.00 C ATOM 762 O LYS A 50 -3.594 -1.238 8.440 1.00 0.00 O ATOM 763 CB LYS A 50 -3.857 -3.370 5.894 1.00 0.00 C ATOM 764 CG LYS A 50 -3.009 -4.187 6.891 1.00 0.00 C ATOM 765 CD LYS A 50 -1.642 -3.585 7.223 1.00 0.00 C ATOM 766 CE LYS A 50 -0.998 -4.298 8.402 1.00 0.00 C ATOM 767 NZ LYS A 50 0.160 -3.555 8.964 1.00 0.00 N ATOM 0 H LYS A 50 -5.225 -1.725 4.527 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.392 -2.502 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.597 -4.032 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.208 -3.023 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.573 -4.301 7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.860 -5.187 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.990 -3.655 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.755 -2.525 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.744 -4.444 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.669 -5.288 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.559 -4.087 9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.887 -3.438 8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.154 -2.620 9.293 1.00 0.00 H new ATOM 781 N MET A 51 -2.593 -0.904 6.445 1.00 0.00 N ATOM 782 CA MET A 51 -1.467 -0.122 6.974 1.00 0.00 C ATOM 783 C MET A 51 -1.947 1.024 7.872 1.00 0.00 C ATOM 784 O MET A 51 -1.269 1.418 8.821 1.00 0.00 O ATOM 785 CB MET A 51 -0.621 0.430 5.831 1.00 0.00 C ATOM 786 CG MET A 51 0.718 0.982 6.280 1.00 0.00 C ATOM 787 SD MET A 51 1.740 -0.277 7.065 1.00 0.00 S ATOM 788 CE MET A 51 3.249 0.640 7.346 1.00 0.00 C ATOM 0 H MET A 51 -2.560 -1.056 5.437 1.00 0.00 H new ATOM 0 HA MET A 51 -0.858 -0.792 7.581 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.452 -0.361 5.100 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.178 1.218 5.325 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.247 1.394 5.420 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.556 1.804 6.978 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.983 -0.006 7.828 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.645 0.990 6.393 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.041 1.495 7.989 1.00 0.00 H new ATOM 798 N CYS A 52 -3.117 1.545 7.558 1.00 0.00 N ATOM 799 CA CYS A 52 -3.727 2.632 8.309 1.00 0.00 C ATOM 800 C CYS A 52 -4.720 2.104 9.365 1.00 0.00 C ATOM 801 O CYS A 52 -5.223 2.856 10.205 1.00 0.00 O ATOM 802 CB CYS A 52 -4.393 3.571 7.291 1.00 0.00 C ATOM 803 SG CYS A 52 -5.896 4.422 7.852 1.00 0.00 S ATOM 0 H CYS A 52 -3.678 1.225 6.768 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.973 3.180 8.875 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.664 4.324 6.991 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.639 2.993 6.400 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.168 4.064 9.072 1.00 0.00 H new ATOM 808 N ALA A 53 -4.969 0.796 9.343 1.00 0.00 N ATOM 809 CA ALA A 53 -5.942 0.174 10.237 1.00 0.00 C ATOM 810 C ALA A 53 -5.354 -0.984 11.050 1.00 0.00 C ATOM 811 O ALA A 53 -5.008 -0.809 12.219 1.00 0.00 O ATOM 812 CB ALA A 53 -7.140 -0.312 9.445 1.00 0.00 C ATOM 0 H ALA A 53 -4.506 0.143 8.711 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.248 0.941 10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.860 -0.774 10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.608 0.532 8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.815 -1.044 8.706 1.00 0.00 H new ATOM 818 N THR A 54 -5.223 -2.165 10.434 1.00 0.00 N ATOM 819 CA THR A 54 -4.892 -3.370 11.197 1.00 0.00 C ATOM 820 C THR A 54 -4.232 -4.479 10.351 1.00 0.00 C ATOM 821 O THR A 54 -3.069 -4.806 10.582 1.00 0.00 O ATOM 822 CB THR A 54 -6.133 -3.922 11.958 1.00 0.00 C ATOM 823 OG1 THR A 54 -5.857 -5.222 12.500 1.00 0.00 O ATOM 824 CG2 THR A 54 -7.373 -3.984 11.071 1.00 0.00 C ATOM 0 H THR A 54 -5.339 -2.310 9.431 1.00 0.00 H new ATOM 0 HA THR A 54 -4.145 -3.056 11.926 1.00 0.00 H new ATOM 0 HB THR A 54 -6.341 -3.227 12.771 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.113 -5.909 11.849 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.212 -4.375 11.646 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.614 -2.983 10.712 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.180 -4.638 10.220 1.00 0.00 H new ATOM 832 N ASN A 55 -4.939 -5.055 9.367 1.00 0.00 N ATOM 833 CA ASN A 55 -4.417 -6.219 8.649 1.00 0.00 C ATOM 834 C ASN A 55 -5.144 -6.424 7.320 1.00 0.00 C ATOM 835 O ASN A 55 -6.358 -6.266 7.240 1.00 0.00 O ATOM 836 CB ASN A 55 -4.506 -7.482 9.518 1.00 0.00 C ATOM 837 CG ASN A 55 -5.933 -7.950 9.744 1.00 0.00 C ATOM 838 OD1 ASN A 55 -6.631 -7.452 10.631 1.00 0.00 O ATOM 839 ND2 ASN A 55 -6.362 -8.934 8.968 1.00 0.00 N ATOM 0 H ASN A 55 -5.858 -4.738 9.057 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.367 -6.029 8.428 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.938 -8.283 9.044 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.037 -7.286 10.482 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.303 -9.309 9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.752 -9.317 8.246 1.00 0.00 H new ATOM 846 N ASN A 56 -4.364 -6.750 6.282 1.00 0.00 N ATOM 847 CA ASN A 56 -4.858 -6.920 4.917 1.00 0.00 C ATOM 848 C ASN A 56 -3.741 -7.428 4.024 1.00 0.00 C ATOM 849 O ASN A 56 -3.659 -8.612 3.704 1.00 0.00 O ATOM 850 CB ASN A 56 -5.391 -5.608 4.297 1.00 0.00 C ATOM 851 CG ASN A 56 -6.884 -5.415 4.487 1.00 0.00 C ATOM 852 OD1 ASN A 56 -7.633 -6.382 4.625 1.00 0.00 O ATOM 853 ND2 ASN A 56 -7.334 -4.171 4.448 1.00 0.00 N ATOM 0 H ASN A 56 -3.360 -6.904 6.371 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.681 -7.632 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.864 -4.764 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.164 -5.600 3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.334 -3.987 4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.681 -3.396 4.332 1.00 0.00 H new ATOM 860 N LEU A 57 -2.866 -6.507 3.631 1.00 0.00 N ATOM 861 CA LEU A 57 -1.860 -6.779 2.613 1.00 0.00 C ATOM 862 C LEU A 57 -0.609 -7.380 3.199 1.00 0.00 C ATOM 863 O LEU A 57 0.144 -8.069 2.508 1.00 0.00 O ATOM 864 CB LEU A 57 -1.502 -5.490 1.875 1.00 0.00 C ATOM 865 CG LEU A 57 -0.544 -4.515 2.589 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.270 -3.302 1.720 1.00 0.00 C ATOM 867 CD2 LEU A 57 -1.080 -4.065 3.933 1.00 0.00 C ATOM 0 H LEU A 57 -2.835 -5.559 4.006 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.289 -7.503 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.057 -5.761 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.427 -4.957 1.657 1.00 0.00 H new ATOM 0 HG LEU A 57 0.385 -5.058 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.408 -2.626 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.186 -3.621 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.207 -2.786 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.370 -3.380 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.035 -3.558 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.221 -4.933 4.578 1.00 0.00 H new ATOM 879 N GLU A 58 -0.423 -7.111 4.475 1.00 0.00 N ATOM 880 CA GLU A 58 0.808 -7.430 5.184 1.00 0.00 C ATOM 881 C GLU A 58 1.308 -8.849 4.920 1.00 0.00 C ATOM 882 O GLU A 58 2.509 -9.075 4.884 1.00 0.00 O ATOM 883 CB GLU A 58 0.652 -7.167 6.691 1.00 0.00 C ATOM 884 CG GLU A 58 -0.760 -7.362 7.248 1.00 0.00 C ATOM 885 CD GLU A 58 -1.265 -8.777 7.137 1.00 0.00 C ATOM 886 OE1 GLU A 58 -0.844 -9.624 7.946 1.00 0.00 O ATOM 887 OE2 GLU A 58 -2.102 -9.033 6.250 1.00 0.00 O ATOM 0 H GLU A 58 -1.127 -6.660 5.059 1.00 0.00 H new ATOM 0 HA GLU A 58 1.574 -6.764 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.331 -7.827 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.969 -6.145 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.772 -7.063 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.444 -6.699 6.719 1.00 0.00 H new ATOM 894 N GLN A 59 0.392 -9.777 4.688 1.00 0.00 N ATOM 895 CA GLN A 59 0.744 -11.179 4.477 1.00 0.00 C ATOM 896 C GLN A 59 1.737 -11.385 3.310 1.00 0.00 C ATOM 897 O GLN A 59 2.914 -11.691 3.526 1.00 0.00 O ATOM 898 CB GLN A 59 -0.535 -11.978 4.236 1.00 0.00 C ATOM 899 CG GLN A 59 -1.482 -11.987 5.425 1.00 0.00 C ATOM 900 CD GLN A 59 -2.903 -12.352 5.043 1.00 0.00 C ATOM 901 OE1 GLN A 59 -3.283 -13.521 5.036 1.00 0.00 O ATOM 902 NE2 GLN A 59 -3.705 -11.347 4.730 1.00 0.00 N ATOM 0 H GLN A 59 -0.609 -9.585 4.640 1.00 0.00 H new ATOM 0 HA GLN A 59 1.253 -11.533 5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.054 -11.564 3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.270 -13.005 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.117 -12.696 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.478 -11.003 5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.354 -10.390 4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.675 -11.530 4.472 1.00 0.00 H new ATOM 911 N ALA A 60 1.284 -11.153 2.083 1.00 0.00 N ATOM 912 CA ALA A 60 2.087 -11.464 0.900 1.00 0.00 C ATOM 913 C ALA A 60 3.166 -10.431 0.668 1.00 0.00 C ATOM 914 O ALA A 60 4.283 -10.768 0.288 1.00 0.00 O ATOM 915 CB ALA A 60 1.216 -11.576 -0.336 1.00 0.00 C ATOM 0 H ALA A 60 0.369 -10.752 1.879 1.00 0.00 H new ATOM 0 HA ALA A 60 2.566 -12.425 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.839 -11.808 -1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.483 -12.370 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.699 -10.631 -0.504 1.00 0.00 H new ATOM 921 N MET A 61 2.815 -9.174 0.850 1.00 0.00 N ATOM 922 CA MET A 61 3.789 -8.103 0.751 1.00 0.00 C ATOM 923 C MET A 61 5.017 -8.386 1.632 1.00 0.00 C ATOM 924 O MET A 61 6.142 -8.263 1.158 1.00 0.00 O ATOM 925 CB MET A 61 3.161 -6.755 1.113 1.00 0.00 C ATOM 926 CG MET A 61 2.842 -6.601 2.584 1.00 0.00 C ATOM 927 SD MET A 61 2.565 -4.890 3.081 1.00 0.00 S ATOM 928 CE MET A 61 2.968 -4.959 4.824 1.00 0.00 C ATOM 0 H MET A 61 1.866 -8.868 1.067 1.00 0.00 H new ATOM 0 HA MET A 61 4.123 -8.054 -0.285 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.840 -5.957 0.813 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.244 -6.626 0.537 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.954 -7.188 2.819 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.662 -7.014 3.171 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.064 -4.803 5.413 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.392 -5.935 5.061 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.694 -4.181 5.061 1.00 0.00 H new ATOM 938 N SER A 62 4.810 -8.800 2.892 1.00 0.00 N ATOM 939 CA SER A 62 5.940 -9.087 3.788 1.00 0.00 C ATOM 940 C SER A 62 6.672 -10.349 3.334 1.00 0.00 C ATOM 941 O SER A 62 7.870 -10.506 3.572 1.00 0.00 O ATOM 942 CB SER A 62 5.483 -9.248 5.241 1.00 0.00 C ATOM 943 OG SER A 62 4.666 -10.394 5.404 1.00 0.00 O ATOM 0 H SER A 62 3.889 -8.941 3.307 1.00 0.00 H new ATOM 0 HA SER A 62 6.620 -8.236 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.354 -9.326 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.932 -8.360 5.551 1.00 0.00 H new ATOM 0 HG SER A 62 3.832 -10.275 4.903 1.00 0.00 H new ATOM 949 N VAL A 63 5.941 -11.270 2.711 1.00 0.00 N ATOM 950 CA VAL A 63 6.570 -12.434 2.083 1.00 0.00 C ATOM 951 C VAL A 63 7.493 -12.008 0.932 1.00 0.00 C ATOM 952 O VAL A 63 8.606 -12.515 0.790 1.00 0.00 O ATOM 953 CB VAL A 63 5.518 -13.436 1.549 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.180 -14.550 0.751 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.707 -14.021 2.693 1.00 0.00 C ATOM 0 H VAL A 63 4.925 -11.237 2.627 1.00 0.00 H new ATOM 0 HA VAL A 63 7.160 -12.927 2.856 1.00 0.00 H new ATOM 0 HB VAL A 63 4.846 -12.892 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.418 -15.240 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.716 -14.122 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.881 -15.088 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.973 -14.723 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.372 -14.542 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.193 -13.219 3.222 1.00 0.00 H new ATOM 965 N TYR A 64 7.026 -11.065 0.123 1.00 0.00 N ATOM 966 CA TYR A 64 7.765 -10.626 -1.060 1.00 0.00 C ATOM 967 C TYR A 64 8.903 -9.670 -0.707 1.00 0.00 C ATOM 968 O TYR A 64 10.074 -9.989 -0.924 1.00 0.00 O ATOM 969 CB TYR A 64 6.818 -9.974 -2.067 1.00 0.00 C ATOM 970 CG TYR A 64 6.619 -10.794 -3.322 1.00 0.00 C ATOM 971 CD1 TYR A 64 5.969 -12.022 -3.278 1.00 0.00 C ATOM 972 CD2 TYR A 64 7.082 -10.340 -4.549 1.00 0.00 C ATOM 973 CE1 TYR A 64 5.791 -12.776 -4.423 1.00 0.00 C ATOM 974 CE2 TYR A 64 6.907 -11.085 -5.697 1.00 0.00 C ATOM 975 CZ TYR A 64 6.261 -12.301 -5.631 1.00 0.00 C ATOM 976 OH TYR A 64 6.093 -13.048 -6.776 1.00 0.00 O ATOM 0 H TYR A 64 6.136 -10.587 0.263 1.00 0.00 H new ATOM 0 HA TYR A 64 8.213 -11.512 -1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.851 -9.810 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.209 -8.994 -2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.597 -12.393 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.588 -9.387 -4.606 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.288 -13.730 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.275 -10.717 -6.643 1.00 0.00 H new ATOM 0 HH TYR A 64 6.480 -12.569 -7.539 1.00 0.00 H new ATOM 986 N PHE A 65 8.570 -8.503 -0.166 1.00 0.00 N ATOM 987 CA PHE A 65 9.589 -7.515 0.176 1.00 0.00 C ATOM 988 C PHE A 65 10.030 -7.705 1.620 1.00 0.00 C ATOM 989 O PHE A 65 9.337 -8.345 2.404 1.00 0.00 O ATOM 990 CB PHE A 65 9.077 -6.075 -0.065 1.00 0.00 C ATOM 991 CG PHE A 65 7.850 -5.686 0.701 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.804 -5.790 2.080 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.746 -5.199 0.036 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.680 -5.424 2.777 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.619 -4.826 0.729 1.00 0.00 C ATOM 996 CZ PHE A 65 5.590 -4.939 2.102 1.00 0.00 C ATOM 0 H PHE A 65 7.613 -8.219 0.044 1.00 0.00 H new ATOM 0 HA PHE A 65 10.450 -7.665 -0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.876 -5.378 0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.872 -5.955 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.664 -6.164 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.766 -5.109 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.654 -5.518 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.759 -4.445 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.706 -4.645 2.648 1.00 0.00 H new ATOM 1006 N THR A 66 11.179 -7.165 1.967 1.00 0.00 N ATOM 1007 CA THR A 66 11.674 -7.255 3.327 1.00 0.00 C ATOM 1008 C THR A 66 11.156 -6.091 4.187 1.00 0.00 C ATOM 1009 O THR A 66 10.460 -5.210 3.676 1.00 0.00 O ATOM 1010 CB THR A 66 13.208 -7.309 3.322 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.708 -6.560 2.204 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.697 -8.746 3.222 1.00 0.00 C ATOM 0 H THR A 66 11.790 -6.658 1.326 1.00 0.00 H new ATOM 0 HA THR A 66 11.297 -8.175 3.775 1.00 0.00 H new ATOM 0 HB THR A 66 13.573 -6.879 4.255 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.070 -5.706 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.787 -8.760 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.328 -9.316 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.327 -9.193 2.299 1.00 0.00 H new ATOM 1020 N ASN A 67 11.473 -6.073 5.478 1.00 0.00 N ATOM 1021 CA ASN A 67 10.864 -5.090 6.382 1.00 0.00 C ATOM 1022 C ASN A 67 11.357 -3.665 6.099 1.00 0.00 C ATOM 1023 O ASN A 67 10.558 -2.725 6.060 1.00 0.00 O ATOM 1024 CB ASN A 67 11.078 -5.468 7.859 1.00 0.00 C ATOM 1025 CG ASN A 67 12.470 -5.161 8.389 1.00 0.00 C ATOM 1026 OD1 ASN A 67 12.719 -4.075 8.914 1.00 0.00 O ATOM 1027 ND2 ASN A 67 13.380 -6.112 8.263 1.00 0.00 N ATOM 0 H ASN A 67 12.134 -6.712 5.920 1.00 0.00 H new ATOM 0 HA ASN A 67 9.792 -5.107 6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.345 -4.938 8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.882 -6.533 7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.328 -5.959 8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.134 -6.998 7.822 1.00 0.00 H new ATOM 1034 N GLU A 68 12.654 -3.493 5.876 1.00 0.00 N ATOM 1035 CA GLU A 68 13.184 -2.173 5.542 1.00 0.00 C ATOM 1036 C GLU A 68 12.705 -1.752 4.157 1.00 0.00 C ATOM 1037 O GLU A 68 12.580 -0.567 3.859 1.00 0.00 O ATOM 1038 CB GLU A 68 14.717 -2.146 5.643 1.00 0.00 C ATOM 1039 CG GLU A 68 15.390 -3.459 5.276 1.00 0.00 C ATOM 1040 CD GLU A 68 15.392 -3.744 3.793 1.00 0.00 C ATOM 1041 OE1 GLU A 68 16.295 -3.259 3.082 1.00 0.00 O ATOM 1042 OE2 GLU A 68 14.499 -4.480 3.343 1.00 0.00 O ATOM 0 H GLU A 68 13.351 -4.237 5.919 1.00 0.00 H new ATOM 0 HA GLU A 68 12.805 -1.453 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.099 -1.360 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.998 -1.879 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.419 -3.443 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.884 -4.274 5.793 1.00 0.00 H new ATOM 1049 N GLN A 69 12.414 -2.744 3.331 1.00 0.00 N ATOM 1050 CA GLN A 69 11.817 -2.518 2.021 1.00 0.00 C ATOM 1051 C GLN A 69 10.473 -1.808 2.160 1.00 0.00 C ATOM 1052 O GLN A 69 10.180 -0.859 1.434 1.00 0.00 O ATOM 1053 CB GLN A 69 11.614 -3.851 1.303 1.00 0.00 C ATOM 1054 CG GLN A 69 12.131 -3.881 -0.125 1.00 0.00 C ATOM 1055 CD GLN A 69 11.297 -3.037 -1.069 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.806 -2.492 -2.042 1.00 0.00 O ATOM 1057 NE2 GLN A 69 10.000 -2.938 -0.804 1.00 0.00 N ATOM 0 H GLN A 69 12.584 -3.726 3.547 1.00 0.00 H new ATOM 0 HA GLN A 69 12.492 -1.889 1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.111 -4.636 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.550 -4.087 1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.161 -3.526 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.143 -4.911 -0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.610 -3.405 0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.394 -2.395 -1.419 1.00 0.00 H new ATOM 1066 N ILE A 70 9.645 -2.274 3.088 1.00 0.00 N ATOM 1067 CA ILE A 70 8.343 -1.661 3.292 1.00 0.00 C ATOM 1068 C ILE A 70 8.454 -0.396 4.144 1.00 0.00 C ATOM 1069 O ILE A 70 7.522 0.402 4.218 1.00 0.00 O ATOM 1070 CB ILE A 70 7.299 -2.661 3.859 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.918 -2.015 3.953 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.705 -3.241 5.199 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.484 -1.389 2.653 1.00 0.00 C ATOM 0 H ILE A 70 9.850 -3.063 3.702 1.00 0.00 H new ATOM 0 HA ILE A 70 7.972 -1.362 2.312 1.00 0.00 H new ATOM 0 HB ILE A 70 7.255 -3.491 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.188 -2.767 4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.929 -1.254 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.936 -3.932 5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.651 -3.773 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.821 -2.435 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.496 -0.944 2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.197 -0.616 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.445 -2.153 1.877 1.00 0.00 H new ATOM 1085 N LYS A 71 9.603 -0.196 4.774 1.00 0.00 N ATOM 1086 CA LYS A 71 9.943 1.122 5.292 1.00 0.00 C ATOM 1087 C LYS A 71 10.061 2.091 4.120 1.00 0.00 C ATOM 1088 O LYS A 71 9.504 3.190 4.135 1.00 0.00 O ATOM 1089 CB LYS A 71 11.247 1.075 6.094 1.00 0.00 C ATOM 1090 CG LYS A 71 11.073 0.479 7.482 1.00 0.00 C ATOM 1091 CD LYS A 71 9.920 1.152 8.204 1.00 0.00 C ATOM 1092 CE LYS A 71 10.016 1.016 9.709 1.00 0.00 C ATOM 1093 NZ LYS A 71 8.966 1.822 10.386 1.00 0.00 N ATOM 0 H LYS A 71 10.306 -0.917 4.937 1.00 0.00 H new ATOM 0 HA LYS A 71 9.159 1.461 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.984 0.490 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.646 2.085 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.887 -0.592 7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.992 0.602 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.898 2.209 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.980 0.718 7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.912 -0.032 9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.001 1.340 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.054 1.711 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.082 2.824 10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.027 1.495 10.082 1.00 0.00 H new ATOM 1107 N GLU A 72 10.743 1.641 3.075 1.00 0.00 N ATOM 1108 CA GLU A 72 10.898 2.427 1.862 1.00 0.00 C ATOM 1109 C GLU A 72 9.547 2.728 1.212 1.00 0.00 C ATOM 1110 O GLU A 72 9.295 3.860 0.809 1.00 0.00 O ATOM 1111 CB GLU A 72 11.814 1.704 0.872 1.00 0.00 C ATOM 1112 CG GLU A 72 13.229 1.508 1.383 1.00 0.00 C ATOM 1113 CD GLU A 72 14.073 0.681 0.439 1.00 0.00 C ATOM 1114 OE1 GLU A 72 14.461 1.199 -0.628 1.00 0.00 O ATOM 1115 OE2 GLU A 72 14.351 -0.492 0.755 1.00 0.00 O ATOM 0 H GLU A 72 11.200 0.729 3.045 1.00 0.00 H new ATOM 0 HA GLU A 72 11.354 3.378 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.384 0.730 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.848 2.271 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.698 2.481 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.196 1.022 2.358 1.00 0.00 H new ATOM 1122 N ILE A 73 8.667 1.727 1.120 1.00 0.00 N ATOM 1123 CA ILE A 73 7.344 1.950 0.527 1.00 0.00 C ATOM 1124 C ILE A 73 6.442 2.689 1.508 1.00 0.00 C ATOM 1125 O ILE A 73 5.417 3.226 1.121 1.00 0.00 O ATOM 1126 CB ILE A 73 6.620 0.654 0.077 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.613 -0.415 -0.338 1.00 0.00 C ATOM 1128 CG2 ILE A 73 5.673 0.954 -1.073 1.00 0.00 C ATOM 1129 CD1 ILE A 73 6.977 -1.696 -0.822 1.00 0.00 C ATOM 0 H ILE A 73 8.840 0.774 1.440 1.00 0.00 H new ATOM 0 HA ILE A 73 7.529 2.544 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 73 6.049 0.278 0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.249 -0.017 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.261 -0.642 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.171 0.036 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.930 1.684 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.238 1.357 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.756 -2.407 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.364 -2.121 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.352 -1.487 -1.690 1.00 0.00 H new ATOM 1141 N HIS A 74 6.817 2.704 2.778 1.00 0.00 N ATOM 1142 CA HIS A 74 6.077 3.466 3.778 1.00 0.00 C ATOM 1143 C HIS A 74 6.209 4.953 3.473 1.00 0.00 C ATOM 1144 O HIS A 74 5.213 5.643 3.265 1.00 0.00 O ATOM 1145 CB HIS A 74 6.610 3.154 5.183 1.00 0.00 C ATOM 1146 CG HIS A 74 5.792 3.700 6.319 1.00 0.00 C ATOM 1147 ND1 HIS A 74 5.621 3.017 7.504 1.00 0.00 N ATOM 1148 CD2 HIS A 74 5.145 4.880 6.474 1.00 0.00 C ATOM 1149 CE1 HIS A 74 4.911 3.753 8.336 1.00 0.00 C ATOM 1150 NE2 HIS A 74 4.607 4.887 7.737 1.00 0.00 N ATOM 0 H HIS A 74 7.626 2.200 3.142 1.00 0.00 H new ATOM 0 HA HIS A 74 5.024 3.186 3.745 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.679 2.072 5.295 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.623 3.548 5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.067 5.669 5.740 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.626 3.474 9.340 1.00 0.00 H new ATOM 0 HE2 HIS A 74 4.061 5.646 8.145 1.00 0.00 H new ATOM 1159 N ASP A 75 7.447 5.425 3.398 1.00 0.00 N ATOM 1160 CA ASP A 75 7.726 6.815 3.099 1.00 0.00 C ATOM 1161 C ASP A 75 7.274 7.124 1.683 1.00 0.00 C ATOM 1162 O ASP A 75 6.804 8.217 1.377 1.00 0.00 O ATOM 1163 CB ASP A 75 9.224 7.058 3.250 1.00 0.00 C ATOM 1164 CG ASP A 75 9.612 8.511 3.124 1.00 0.00 C ATOM 1165 OD1 ASP A 75 8.961 9.360 3.764 1.00 0.00 O ATOM 1166 OD2 ASP A 75 10.592 8.800 2.402 1.00 0.00 O ATOM 0 H ASP A 75 8.280 4.854 3.543 1.00 0.00 H new ATOM 0 HA ASP A 75 7.187 7.468 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.549 6.686 4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.756 6.481 2.494 1.00 0.00 H new ATOM 1171 N ALA A 76 7.388 6.119 0.833 1.00 0.00 N ATOM 1172 CA ALA A 76 7.017 6.243 -0.563 1.00 0.00 C ATOM 1173 C ALA A 76 5.515 6.336 -0.749 1.00 0.00 C ATOM 1174 O ALA A 76 5.037 7.073 -1.581 1.00 0.00 O ATOM 1175 CB ALA A 76 7.550 5.069 -1.346 1.00 0.00 C ATOM 0 H ALA A 76 7.739 5.197 1.091 1.00 0.00 H new ATOM 0 HA ALA A 76 7.457 7.169 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.266 5.171 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.637 5.041 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.133 4.145 -0.946 1.00 0.00 H new ATOM 1181 N ALA A 77 4.769 5.581 0.010 1.00 0.00 N ATOM 1182 CA ALA A 77 3.333 5.557 -0.169 1.00 0.00 C ATOM 1183 C ALA A 77 2.646 6.596 0.710 1.00 0.00 C ATOM 1184 O ALA A 77 1.451 6.848 0.572 1.00 0.00 O ATOM 1185 CB ALA A 77 2.809 4.162 0.090 1.00 0.00 C ATOM 0 H ALA A 77 5.122 4.978 0.753 1.00 0.00 H new ATOM 0 HA ALA A 77 3.102 5.822 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.728 4.148 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.271 3.464 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.050 3.867 1.111 1.00 0.00 H new ATOM 1191 N THR A 78 3.403 7.188 1.627 1.00 0.00 N ATOM 1192 CA THR A 78 2.893 8.285 2.435 1.00 0.00 C ATOM 1193 C THR A 78 3.293 9.640 1.837 1.00 0.00 C ATOM 1194 O THR A 78 2.441 10.496 1.592 1.00 0.00 O ATOM 1195 CB THR A 78 3.384 8.181 3.896 1.00 0.00 C ATOM 1196 OG1 THR A 78 2.903 6.960 4.481 1.00 0.00 O ATOM 1197 CG2 THR A 78 2.902 9.364 4.728 1.00 0.00 C ATOM 0 H THR A 78 4.368 6.927 1.828 1.00 0.00 H new ATOM 0 HA THR A 78 1.805 8.213 2.434 1.00 0.00 H new ATOM 0 HB THR A 78 4.474 8.188 3.888 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.508 6.225 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.264 9.261 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.284 10.290 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.812 9.388 4.730 1.00 0.00 H new ATOM 1205 N ALA A 79 4.587 9.835 1.605 1.00 0.00 N ATOM 1206 CA ALA A 79 5.089 11.096 1.069 1.00 0.00 C ATOM 1207 C ALA A 79 5.294 11.021 -0.439 1.00 0.00 C ATOM 1208 O ALA A 79 5.552 12.036 -1.089 1.00 0.00 O ATOM 1209 CB ALA A 79 6.390 11.479 1.749 1.00 0.00 C ATOM 0 H ALA A 79 5.308 9.135 1.780 1.00 0.00 H new ATOM 0 HA ALA A 79 4.339 11.861 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.752 12.422 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.222 11.591 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.133 10.700 1.578 1.00 0.00 H new ATOM 1215 N CYS A 80 5.166 9.809 -0.977 1.00 0.00 N ATOM 1216 CA CYS A 80 5.417 9.519 -2.382 1.00 0.00 C ATOM 1217 C CYS A 80 6.915 9.605 -2.651 1.00 0.00 C ATOM 1218 O CYS A 80 7.362 10.015 -3.723 1.00 0.00 O ATOM 1219 CB CYS A 80 4.599 10.411 -3.326 1.00 0.00 C ATOM 1220 SG CYS A 80 2.996 10.993 -2.661 1.00 0.00 S ATOM 0 H CYS A 80 4.881 8.991 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 80 5.080 8.504 -2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.201 11.280 -3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.413 9.861 -4.248 1.00 0.00 H new ATOM 1225 N ASP A 81 7.679 9.171 -1.645 1.00 0.00 N ATOM 1226 CA ASP A 81 9.138 9.240 -1.658 1.00 0.00 C ATOM 1227 C ASP A 81 9.746 7.930 -1.173 1.00 0.00 C ATOM 1228 O ASP A 81 9.845 7.721 0.025 1.00 0.00 O ATOM 1229 CB ASP A 81 9.613 10.334 -0.703 1.00 0.00 C ATOM 1230 CG ASP A 81 9.201 11.731 -1.132 1.00 0.00 C ATOM 1231 OD1 ASP A 81 9.356 12.065 -2.326 1.00 0.00 O ATOM 1232 OD2 ASP A 81 8.731 12.508 -0.279 1.00 0.00 O ATOM 0 H ASP A 81 7.297 8.759 -0.793 1.00 0.00 H new ATOM 0 HA ASP A 81 9.449 9.446 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.214 10.135 0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.699 10.292 -0.626 1.00 0.00 H new