USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=16 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= -0.066 X(o=0.33,f=0.48) USER MOD Set 1.2: A 78 THR OG1 : rot 81:sc= 0.401 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= 0.354 F(o=-0.25,f=0.35) 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 66:sc= 0.506! USER MOD Single : A 29 ASN : amide:sc= -5.13! C(o=-5.1!,f=-4.8!) USER MOD Single : A 34 ASN : amide:sc= -3.37! C(o=-3.4!,f=-4.2!) USER MOD Single : A 37 GLN :FLIP amide:sc= -2.15! C(o=-7.8!,f=-2.2!) USER MOD Single : A 38 GLN : amide:sc= -17.9! C(o=-18!,f=-19!) USER MOD Single : A 40 ASN : amide:sc= 0.729 K(o=0.73,f=-0.53) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.804 F(o=-3.4!,f=-0.8) USER MOD Single : A 48 TYR OH : rot 93:sc= 1.64 USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= 1.08 (180deg=0.24) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.913 K(o=-0.91,f=-2.4) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0116 F(o=-1.2,f=-0.012) USER MOD Single : A 61 MET CE :methyl -141:sc= -5.25! (180deg=-7.48!) USER MOD Single : A 62 SER OG : rot 11:sc= 1.1 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 67 ASN : amide:sc= -0.0557 K(o=-0.056,f=-8.7!) USER MOD Single : A 69 GLN : amide:sc= -5.9! C(o=-5.9!,f=-6.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -7.551 8.873 -0.306 1.00 0.00 N ATOM 197 CA VAL A 14 -7.419 9.310 -1.691 1.00 0.00 C ATOM 198 C VAL A 14 -6.074 9.983 -1.932 1.00 0.00 C ATOM 199 O VAL A 14 -5.382 9.659 -2.898 1.00 0.00 O ATOM 200 CB VAL A 14 -8.574 10.256 -2.102 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.167 11.172 -3.244 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.796 9.444 -2.501 1.00 0.00 C ATOM 0 HA VAL A 14 -7.474 8.418 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.816 10.879 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.003 11.821 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.317 11.781 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.889 10.572 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.603 10.118 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.545 8.799 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.117 8.832 -1.658 1.00 0.00 H new ATOM 212 N THR A 15 -5.699 10.911 -1.059 1.00 0.00 N ATOM 213 CA THR A 15 -4.386 11.533 -1.156 1.00 0.00 C ATOM 214 C THR A 15 -3.306 10.452 -1.111 1.00 0.00 C ATOM 215 O THR A 15 -2.408 10.384 -1.965 1.00 0.00 O ATOM 216 CB THR A 15 -4.170 12.546 -0.014 1.00 0.00 C ATOM 217 OG1 THR A 15 -5.220 13.526 -0.034 1.00 0.00 O ATOM 218 CG2 THR A 15 -2.822 13.238 -0.144 1.00 0.00 C ATOM 0 H THR A 15 -6.276 11.245 -0.287 1.00 0.00 H new ATOM 0 HA THR A 15 -4.324 12.072 -2.101 1.00 0.00 H new ATOM 0 HB THR A 15 -4.187 12.005 0.932 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.082 14.168 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.696 13.947 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.026 12.494 -0.105 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.776 13.770 -1.095 1.00 0.00 H new ATOM 226 N GLU A 16 -3.421 9.581 -0.128 1.00 0.00 N ATOM 227 CA GLU A 16 -2.570 8.450 -0.026 1.00 0.00 C ATOM 228 C GLU A 16 -2.638 7.582 -1.277 1.00 0.00 C ATOM 229 O GLU A 16 -1.603 7.252 -1.833 1.00 0.00 O ATOM 230 CB GLU A 16 -2.941 7.673 1.223 1.00 0.00 C ATOM 231 CG GLU A 16 -2.225 8.181 2.460 1.00 0.00 C ATOM 232 CD GLU A 16 -2.691 9.547 2.926 1.00 0.00 C ATOM 233 OE1 GLU A 16 -2.292 10.561 2.313 1.00 0.00 O ATOM 234 OE2 GLU A 16 -3.438 9.617 3.926 1.00 0.00 O ATOM 0 H GLU A 16 -4.115 9.653 0.616 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.535 8.782 0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.018 7.736 1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.702 6.620 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.367 7.465 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.155 8.224 2.256 1.00 0.00 H new ATOM 241 N LEU A 17 -3.841 7.253 -1.763 1.00 0.00 N ATOM 242 CA LEU A 17 -3.949 6.328 -2.890 1.00 0.00 C ATOM 243 C LEU A 17 -3.318 6.893 -4.161 1.00 0.00 C ATOM 244 O LEU A 17 -2.789 6.139 -4.975 1.00 0.00 O ATOM 245 CB LEU A 17 -5.391 5.832 -3.153 1.00 0.00 C ATOM 246 CG LEU A 17 -6.458 6.860 -3.555 1.00 0.00 C ATOM 247 CD1 LEU A 17 -6.324 7.273 -5.016 1.00 0.00 C ATOM 248 CD2 LEU A 17 -7.847 6.291 -3.303 1.00 0.00 C ATOM 0 H LEU A 17 -4.729 7.604 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.376 5.450 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.344 5.078 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.738 5.330 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.309 7.750 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.097 8.001 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.342 7.717 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.437 6.396 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.599 7.026 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.981 5.384 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.957 6.055 -2.245 1.00 0.00 H new ATOM 260 N GLU A 18 -3.349 8.211 -4.332 1.00 0.00 N ATOM 261 CA GLU A 18 -2.703 8.821 -5.488 1.00 0.00 C ATOM 262 C GLU A 18 -1.183 8.816 -5.305 1.00 0.00 C ATOM 263 O GLU A 18 -0.434 8.862 -6.280 1.00 0.00 O ATOM 264 CB GLU A 18 -3.227 10.240 -5.755 1.00 0.00 C ATOM 265 CG GLU A 18 -2.895 11.254 -4.676 1.00 0.00 C ATOM 266 CD GLU A 18 -3.443 12.631 -4.981 1.00 0.00 C ATOM 267 OE1 GLU A 18 -2.737 13.429 -5.637 1.00 0.00 O ATOM 268 OE2 GLU A 18 -4.580 12.929 -4.566 1.00 0.00 O ATOM 0 H GLU A 18 -3.806 8.866 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.951 8.224 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.818 10.591 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.310 10.196 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.298 10.910 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.813 11.315 -4.561 1.00 0.00 H new ATOM 275 N CYS A 19 -0.732 8.731 -4.054 1.00 0.00 N ATOM 276 CA CYS A 19 0.690 8.575 -3.766 1.00 0.00 C ATOM 277 C CYS A 19 1.040 7.099 -3.593 1.00 0.00 C ATOM 278 O CYS A 19 2.191 6.747 -3.351 1.00 0.00 O ATOM 279 CB CYS A 19 1.096 9.386 -2.531 1.00 0.00 C ATOM 280 SG CYS A 19 1.110 11.187 -2.822 1.00 0.00 S ATOM 0 H CYS A 19 -1.329 8.768 -3.228 1.00 0.00 H new ATOM 0 HA CYS A 19 1.254 8.963 -4.614 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.408 9.162 -1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.088 9.070 -2.207 1.00 0.00 H new ATOM 285 N ILE A 20 0.021 6.253 -3.679 1.00 0.00 N ATOM 286 CA ILE A 20 0.198 4.803 -3.671 1.00 0.00 C ATOM 287 C ILE A 20 0.236 4.248 -5.097 1.00 0.00 C ATOM 288 O ILE A 20 0.999 3.339 -5.406 1.00 0.00 O ATOM 289 CB ILE A 20 -0.948 4.104 -2.896 1.00 0.00 C ATOM 290 CG1 ILE A 20 -0.904 4.471 -1.413 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.878 2.591 -3.067 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.164 4.096 -0.657 1.00 0.00 C ATOM 0 H ILE A 20 -0.952 6.551 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 20 1.147 4.600 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.893 4.454 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.051 3.975 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.739 5.544 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.693 2.124 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.967 2.340 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.076 2.226 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.061 4.386 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.018 4.613 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.320 3.019 -0.721 1.00 0.00 H new ATOM 304 N ARG A 21 -0.591 4.809 -5.970 1.00 0.00 N ATOM 305 CA ARG A 21 -0.771 4.253 -7.310 1.00 0.00 C ATOM 306 C ARG A 21 0.238 4.800 -8.307 1.00 0.00 C ATOM 307 O ARG A 21 0.244 4.399 -9.469 1.00 0.00 O ATOM 308 CB ARG A 21 -2.179 4.515 -7.829 1.00 0.00 C ATOM 309 CG ARG A 21 -2.474 5.981 -8.114 1.00 0.00 C ATOM 310 CD ARG A 21 -3.860 6.152 -8.713 1.00 0.00 C ATOM 311 NE ARG A 21 -4.050 5.295 -9.882 1.00 0.00 N ATOM 312 CZ ARG A 21 -5.236 4.877 -10.316 1.00 0.00 C ATOM 313 NH1 ARG A 21 -6.350 5.297 -9.728 1.00 0.00 N ATOM 314 NH2 ARG A 21 -5.305 4.053 -11.352 1.00 0.00 N ATOM 0 H ARG A 21 -1.146 5.643 -5.779 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.609 3.179 -7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.330 3.941 -8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.899 4.146 -7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.399 6.557 -7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.726 6.379 -8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.613 5.916 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.008 7.194 -8.997 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.221 4.999 -10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.299 5.943 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.257 4.974 -10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.450 3.741 -11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.213 3.730 -11.687 1.00 0.00 H new ATOM 328 N LEU A 22 1.074 5.721 -7.858 1.00 0.00 N ATOM 329 CA LEU A 22 2.098 6.332 -8.705 1.00 0.00 C ATOM 330 C LEU A 22 3.193 5.326 -9.116 1.00 0.00 C ATOM 331 O LEU A 22 4.284 5.718 -9.524 1.00 0.00 O ATOM 332 CB LEU A 22 2.689 7.572 -7.985 1.00 0.00 C ATOM 333 CG LEU A 22 3.618 7.367 -6.753 1.00 0.00 C ATOM 334 CD1 LEU A 22 3.293 6.107 -5.957 1.00 0.00 C ATOM 335 CD2 LEU A 22 5.084 7.390 -7.162 1.00 0.00 C ATOM 0 H LEU A 22 1.066 6.069 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 22 1.630 6.656 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.248 8.145 -8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.853 8.194 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 22 3.428 8.208 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.977 6.024 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.268 6.163 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.401 5.233 -6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.710 7.244 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.274 6.591 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.319 8.351 -7.619 1.00 0.00 H new ATOM 347 N ARG A 23 2.872 4.030 -9.009 1.00 0.00 N ATOM 348 CA ARG A 23 3.802 2.919 -9.286 1.00 0.00 C ATOM 349 C ARG A 23 4.914 2.842 -8.236 1.00 0.00 C ATOM 350 O ARG A 23 5.524 1.794 -8.033 1.00 0.00 O ATOM 351 CB ARG A 23 4.391 3.010 -10.701 1.00 0.00 C ATOM 352 CG ARG A 23 5.112 1.742 -11.121 1.00 0.00 C ATOM 353 CD ARG A 23 5.544 1.784 -12.575 1.00 0.00 C ATOM 354 NE ARG A 23 5.970 0.464 -13.041 1.00 0.00 N ATOM 355 CZ ARG A 23 5.677 -0.037 -14.240 1.00 0.00 C ATOM 356 NH1 ARG A 23 5.074 0.717 -15.154 1.00 0.00 N ATOM 357 NH2 ARG A 23 6.014 -1.284 -14.534 1.00 0.00 N ATOM 0 H ARG A 23 1.945 3.715 -8.723 1.00 0.00 H new ATOM 0 HA ARG A 23 3.223 1.998 -9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.590 3.219 -11.410 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.085 3.849 -10.747 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.987 1.597 -10.488 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.458 0.885 -10.963 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.719 2.141 -13.192 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.361 2.495 -12.693 1.00 0.00 H new ATOM 0 HE ARG A 23 6.527 -0.109 -12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.833 1.685 -14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.852 0.328 -16.070 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.497 -1.858 -13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.791 -1.670 -15.451 1.00 0.00 H new ATOM 371 N ILE A 24 5.146 3.961 -7.567 1.00 0.00 N ATOM 372 CA ILE A 24 6.066 4.060 -6.445 1.00 0.00 C ATOM 373 C ILE A 24 7.511 3.860 -6.902 1.00 0.00 C ATOM 374 O ILE A 24 8.058 4.714 -7.601 1.00 0.00 O ATOM 375 CB ILE A 24 5.686 3.090 -5.289 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.153 3.006 -5.164 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.302 3.547 -3.979 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.619 2.924 -3.744 1.00 0.00 C ATOM 0 H ILE A 24 4.690 4.845 -7.794 1.00 0.00 H new ATOM 0 HA ILE A 24 5.982 5.070 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 24 6.079 2.100 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.717 3.880 -5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.808 2.131 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.023 2.854 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.387 3.570 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.938 4.545 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.531 2.869 -3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.017 2.034 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.925 3.810 -3.188 1.00 0.00 H new ATOM 390 N SER A 25 8.109 2.740 -6.535 1.00 0.00 N ATOM 391 CA SER A 25 9.486 2.426 -6.917 1.00 0.00 C ATOM 392 C SER A 25 9.919 1.067 -6.341 1.00 0.00 C ATOM 393 O SER A 25 10.406 0.214 -7.082 1.00 0.00 O ATOM 394 CB SER A 25 10.467 3.526 -6.479 1.00 0.00 C ATOM 395 OG SER A 25 11.774 3.289 -6.973 1.00 0.00 O ATOM 0 H SER A 25 7.661 2.022 -5.966 1.00 0.00 H new ATOM 0 HA SER A 25 9.512 2.371 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.113 4.493 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.493 3.578 -5.391 1.00 0.00 H new ATOM 0 HG SER A 25 12.371 4.008 -6.677 1.00 0.00 H new ATOM 401 N PRO A 26 9.743 0.848 -5.008 1.00 0.00 N ATOM 402 CA PRO A 26 10.140 -0.406 -4.320 1.00 0.00 C ATOM 403 C PRO A 26 9.457 -1.674 -4.854 1.00 0.00 C ATOM 404 O PRO A 26 8.880 -1.677 -5.940 1.00 0.00 O ATOM 405 CB PRO A 26 9.692 -0.142 -2.873 1.00 0.00 C ATOM 406 CG PRO A 26 9.746 1.329 -2.745 1.00 0.00 C ATOM 407 CD PRO A 26 9.190 1.816 -4.039 1.00 0.00 C ATOM 0 HA PRO A 26 11.202 -0.608 -4.458 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.687 -0.522 -2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.352 -0.630 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.156 1.679 -1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.766 1.680 -2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.100 1.813 -4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.506 2.836 -4.259 1.00 0.00 H new ATOM 415 N GLU A 27 9.503 -2.751 -4.060 1.00 0.00 N ATOM 416 CA GLU A 27 8.838 -4.016 -4.410 1.00 0.00 C ATOM 417 C GLU A 27 7.326 -3.854 -4.443 1.00 0.00 C ATOM 418 O GLU A 27 6.602 -4.809 -4.708 1.00 0.00 O ATOM 419 CB GLU A 27 9.203 -5.128 -3.428 1.00 0.00 C ATOM 420 CG GLU A 27 10.674 -5.501 -3.452 1.00 0.00 C ATOM 421 CD GLU A 27 11.109 -6.056 -4.791 1.00 0.00 C ATOM 422 OE1 GLU A 27 11.382 -5.258 -5.713 1.00 0.00 O ATOM 423 OE2 GLU A 27 11.185 -7.294 -4.926 1.00 0.00 O ATOM 0 H GLU A 27 9.995 -2.773 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 27 9.189 -4.292 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.933 -4.814 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.609 -6.013 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.273 -4.621 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.871 -6.239 -2.675 1.00 0.00 H new ATOM 430 N THR A 28 6.878 -2.641 -4.130 1.00 0.00 N ATOM 431 CA THR A 28 5.475 -2.263 -4.126 1.00 0.00 C ATOM 432 C THR A 28 4.636 -3.001 -5.175 1.00 0.00 C ATOM 433 O THR A 28 3.610 -3.586 -4.841 1.00 0.00 O ATOM 434 CB THR A 28 5.358 -0.739 -4.361 1.00 0.00 C ATOM 435 OG1 THR A 28 3.990 -0.345 -4.487 1.00 0.00 O ATOM 436 CG2 THR A 28 6.111 -0.330 -5.610 1.00 0.00 C ATOM 0 H THR A 28 7.500 -1.877 -3.866 1.00 0.00 H new ATOM 0 HA THR A 28 5.077 -2.546 -3.151 1.00 0.00 H new ATOM 0 HB THR A 28 5.795 -0.239 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.529 -0.486 -3.634 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.016 0.746 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.164 -0.589 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.696 -0.852 -6.472 1.00 0.00 H new ATOM 444 N ASN A 29 5.083 -3.015 -6.419 1.00 0.00 N ATOM 445 CA ASN A 29 4.274 -3.568 -7.488 1.00 0.00 C ATOM 446 C ASN A 29 4.104 -5.070 -7.315 1.00 0.00 C ATOM 447 O ASN A 29 2.985 -5.553 -7.227 1.00 0.00 O ATOM 448 CB ASN A 29 4.875 -3.235 -8.856 1.00 0.00 C ATOM 449 CG ASN A 29 4.623 -1.792 -9.286 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.558 -1.500 -10.480 1.00 0.00 O ATOM 451 ND2 ASN A 29 4.461 -0.883 -8.327 1.00 0.00 N ATOM 0 H ASN A 29 5.991 -2.654 -6.710 1.00 0.00 H new ATOM 0 HA ASN A 29 3.286 -3.110 -7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.949 -3.417 -8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.457 -3.909 -9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.277 0.090 -8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.521 -1.159 -7.347 1.00 0.00 H new ATOM 458 N ALA A 30 5.202 -5.800 -7.211 1.00 0.00 N ATOM 459 CA ALA A 30 5.129 -7.248 -7.074 1.00 0.00 C ATOM 460 C ALA A 30 4.474 -7.626 -5.748 1.00 0.00 C ATOM 461 O ALA A 30 3.497 -8.394 -5.699 1.00 0.00 O ATOM 462 CB ALA A 30 6.523 -7.851 -7.170 1.00 0.00 C ATOM 0 H ALA A 30 6.148 -5.419 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 30 4.518 -7.647 -7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.459 -8.934 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.960 -7.604 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.150 -7.447 -6.375 1.00 0.00 H new ATOM 468 N ALA A 31 4.999 -7.042 -4.680 1.00 0.00 N ATOM 469 CA ALA A 31 4.569 -7.362 -3.334 1.00 0.00 C ATOM 470 C ALA A 31 3.093 -7.057 -3.129 1.00 0.00 C ATOM 471 O ALA A 31 2.303 -7.968 -2.894 1.00 0.00 O ATOM 472 CB ALA A 31 5.409 -6.610 -2.323 1.00 0.00 C ATOM 0 H ALA A 31 5.733 -6.335 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 31 4.708 -8.433 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.076 -6.859 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.456 -6.891 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.301 -5.538 -2.486 1.00 0.00 H new ATOM 478 N PHE A 32 2.714 -5.782 -3.202 1.00 0.00 N ATOM 479 CA PHE A 32 1.323 -5.410 -2.985 1.00 0.00 C ATOM 480 C PHE A 32 0.396 -6.036 -4.010 1.00 0.00 C ATOM 481 O PHE A 32 -0.716 -6.365 -3.678 1.00 0.00 O ATOM 482 CB PHE A 32 1.132 -3.895 -2.996 1.00 0.00 C ATOM 483 CG PHE A 32 2.085 -3.251 -2.073 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.362 -3.851 -0.870 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.782 -2.128 -2.441 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.311 -3.337 -0.040 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.756 -1.624 -1.622 1.00 0.00 C ATOM 488 CZ PHE A 32 4.018 -2.233 -0.423 1.00 0.00 C ATOM 0 H PHE A 32 3.341 -5.003 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 32 1.063 -5.794 -1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.277 -3.511 -4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.111 -3.648 -2.705 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.822 -4.740 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.562 -1.641 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.504 -3.800 0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.316 -0.750 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.788 -1.838 0.223 1.00 0.00 H new ATOM 498 N ASP A 33 0.830 -6.232 -5.246 1.00 0.00 N ATOM 499 CA ASP A 33 -0.103 -6.713 -6.252 1.00 0.00 C ATOM 500 C ASP A 33 -0.562 -8.109 -5.890 1.00 0.00 C ATOM 501 O ASP A 33 -1.748 -8.412 -5.969 1.00 0.00 O ATOM 502 CB ASP A 33 0.486 -6.696 -7.657 1.00 0.00 C ATOM 503 CG ASP A 33 -0.561 -7.020 -8.708 1.00 0.00 C ATOM 504 OD1 ASP A 33 -1.438 -6.167 -8.969 1.00 0.00 O ATOM 505 OD2 ASP A 33 -0.514 -8.128 -9.280 1.00 0.00 O ATOM 0 H ASP A 33 1.785 -6.073 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.954 -6.032 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.914 -5.715 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.300 -7.418 -7.719 1.00 0.00 H new ATOM 510 N ASN A 34 0.373 -8.943 -5.443 1.00 0.00 N ATOM 511 CA ASN A 34 0.031 -10.285 -4.988 1.00 0.00 C ATOM 512 C ASN A 34 -0.558 -10.237 -3.572 1.00 0.00 C ATOM 513 O ASN A 34 -1.347 -11.101 -3.177 1.00 0.00 O ATOM 514 CB ASN A 34 1.261 -11.200 -5.092 1.00 0.00 C ATOM 515 CG ASN A 34 1.921 -11.560 -3.781 1.00 0.00 C ATOM 516 OD1 ASN A 34 1.594 -12.569 -3.165 1.00 0.00 O ATOM 517 ND2 ASN A 34 2.889 -10.752 -3.372 1.00 0.00 N ATOM 0 H ASN A 34 1.366 -8.715 -5.387 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.741 -10.707 -5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.965 -12.121 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.000 -10.714 -5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.396 -10.959 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.126 -9.924 -3.918 1.00 0.00 H new ATOM 524 N ALA A 35 -0.221 -9.192 -2.834 1.00 0.00 N ATOM 525 CA ALA A 35 -0.789 -8.981 -1.512 1.00 0.00 C ATOM 526 C ALA A 35 -2.249 -8.581 -1.617 1.00 0.00 C ATOM 527 O ALA A 35 -3.126 -9.264 -1.109 1.00 0.00 O ATOM 528 CB ALA A 35 -0.006 -7.923 -0.762 1.00 0.00 C ATOM 0 H ALA A 35 0.443 -8.476 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.726 -9.918 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.444 -7.777 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.030 -8.244 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.039 -6.985 -1.316 1.00 0.00 H new ATOM 534 N VAL A 36 -2.490 -7.474 -2.291 1.00 0.00 N ATOM 535 CA VAL A 36 -3.824 -6.968 -2.540 1.00 0.00 C ATOM 536 C VAL A 36 -4.599 -7.963 -3.397 1.00 0.00 C ATOM 537 O VAL A 36 -5.821 -7.920 -3.469 1.00 0.00 O ATOM 538 CB VAL A 36 -3.744 -5.596 -3.242 1.00 0.00 C ATOM 539 CG1 VAL A 36 -5.098 -4.914 -3.265 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.697 -4.707 -2.574 1.00 0.00 C ATOM 0 H VAL A 36 -1.752 -6.892 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.346 -6.841 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.439 -5.764 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.011 -3.950 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.811 -5.539 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.446 -4.762 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.657 -3.745 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.965 -4.552 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.721 -5.189 -2.631 1.00 0.00 H new ATOM 550 N GLN A 37 -3.863 -8.841 -4.058 1.00 0.00 N ATOM 551 CA GLN A 37 -4.436 -10.016 -4.686 1.00 0.00 C ATOM 552 C GLN A 37 -5.099 -10.911 -3.629 1.00 0.00 C ATOM 553 O GLN A 37 -6.227 -11.369 -3.816 1.00 0.00 O ATOM 554 CB GLN A 37 -3.334 -10.754 -5.451 1.00 0.00 C ATOM 555 CG GLN A 37 -3.593 -12.233 -5.680 1.00 0.00 C ATOM 556 CD GLN A 37 -2.625 -12.842 -6.676 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.453 -12.240 -6.813 1.00 0.00 O flip ATOM 558 NE2 GLN A 37 -2.940 -13.825 -7.344 1.00 0.00 N flip ATOM 0 H GLN A 37 -2.853 -8.758 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.213 -9.726 -5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.197 -10.270 -6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.397 -10.645 -4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.516 -12.764 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.613 -12.369 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.852 -14.262 -7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.289 -14.204 -8.032 1.00 0.00 H new ATOM 567 N GLN A 38 -4.399 -11.145 -2.517 1.00 0.00 N ATOM 568 CA GLN A 38 -4.976 -11.885 -1.384 1.00 0.00 C ATOM 569 C GLN A 38 -6.212 -11.191 -0.839 1.00 0.00 C ATOM 570 O GLN A 38 -7.322 -11.715 -0.916 1.00 0.00 O ATOM 571 CB GLN A 38 -3.995 -11.997 -0.227 1.00 0.00 C ATOM 572 CG GLN A 38 -2.646 -12.543 -0.585 1.00 0.00 C ATOM 573 CD GLN A 38 -1.657 -12.073 0.430 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.763 -12.815 0.813 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.812 -10.800 0.846 1.00 0.00 N ATOM 0 H GLN A 38 -3.437 -10.837 -2.373 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.225 -12.872 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.864 -11.009 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.435 -12.633 0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.673 -13.632 -0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.354 -12.208 -1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.581 -10.236 0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.160 -10.401 1.522 1.00 0.00 H new ATOM 584 N LEU A 39 -6.002 -9.997 -0.283 1.00 0.00 N ATOM 585 CA LEU A 39 -7.073 -9.246 0.369 1.00 0.00 C ATOM 586 C LEU A 39 -8.108 -8.784 -0.649 1.00 0.00 C ATOM 587 O LEU A 39 -9.178 -8.296 -0.288 1.00 0.00 O ATOM 588 CB LEU A 39 -6.509 -8.050 1.161 1.00 0.00 C ATOM 589 CG LEU A 39 -5.324 -7.305 0.527 1.00 0.00 C ATOM 590 CD1 LEU A 39 -5.448 -5.820 0.783 1.00 0.00 C ATOM 591 CD2 LEU A 39 -4.002 -7.786 1.109 1.00 0.00 C ATOM 0 H LEU A 39 -5.096 -9.529 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.567 -9.912 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.316 -7.335 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.201 -8.406 2.144 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.341 -7.506 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.603 -5.301 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.377 -5.452 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.453 -5.635 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.180 -7.243 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.991 -7.608 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.887 -8.853 0.917 1.00 0.00 H new ATOM 603 N ASN A 40 -7.748 -8.951 -1.922 1.00 0.00 N ATOM 604 CA ASN A 40 -8.645 -8.788 -3.076 1.00 0.00 C ATOM 605 C ASN A 40 -9.546 -7.568 -2.967 1.00 0.00 C ATOM 606 O ASN A 40 -10.754 -7.622 -3.194 1.00 0.00 O ATOM 607 CB ASN A 40 -9.438 -10.071 -3.320 1.00 0.00 C ATOM 608 CG ASN A 40 -10.450 -10.423 -2.231 1.00 0.00 C ATOM 609 OD1 ASN A 40 -11.611 -10.018 -2.282 1.00 0.00 O ATOM 610 ND2 ASN A 40 -10.025 -11.206 -1.251 1.00 0.00 N ATOM 0 H ASN A 40 -6.799 -9.211 -2.191 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.017 -8.603 -3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.966 -9.979 -4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.737 -10.899 -3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.666 -11.490 -0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.056 -11.525 -1.237 1.00 0.00 H new ATOM 617 N CYS A 41 -8.923 -6.456 -2.656 1.00 0.00 N ATOM 618 CA CYS A 41 -9.617 -5.189 -2.554 1.00 0.00 C ATOM 619 C CYS A 41 -9.593 -4.445 -3.880 1.00 0.00 C ATOM 620 O CYS A 41 -10.056 -3.305 -3.958 1.00 0.00 O ATOM 621 CB CYS A 41 -8.960 -4.329 -1.487 1.00 0.00 C ATOM 622 SG CYS A 41 -9.397 -4.761 0.228 1.00 0.00 S ATOM 0 H CYS A 41 -7.922 -6.401 -2.466 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.654 -5.391 -2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.878 -4.401 -1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.230 -3.288 -1.664 1.00 0.00 H new ATOM 627 N LEU A 42 -9.045 -5.094 -4.911 1.00 0.00 N ATOM 628 CA LEU A 42 -8.872 -4.488 -6.235 1.00 0.00 C ATOM 629 C LEU A 42 -7.810 -3.389 -6.197 1.00 0.00 C ATOM 630 O LEU A 42 -6.765 -3.509 -6.832 1.00 0.00 O ATOM 631 CB LEU A 42 -10.194 -3.939 -6.801 1.00 0.00 C ATOM 632 CG LEU A 42 -11.175 -4.986 -7.354 1.00 0.00 C ATOM 633 CD1 LEU A 42 -10.497 -5.859 -8.399 1.00 0.00 C ATOM 634 CD2 LEU A 42 -11.761 -5.842 -6.237 1.00 0.00 C ATOM 0 H LEU A 42 -8.708 -6.055 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.535 -5.279 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.698 -3.377 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.960 -3.233 -7.597 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.997 -4.452 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.209 -6.593 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.147 -5.236 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.649 -6.375 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.450 -6.572 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.957 -6.362 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.296 -5.205 -5.533 1.00 0.00 H new ATOM 646 N ASN A 43 -8.062 -2.330 -5.436 1.00 0.00 N ATOM 647 CA ASN A 43 -7.116 -1.232 -5.352 1.00 0.00 C ATOM 648 C ASN A 43 -6.247 -1.351 -4.109 1.00 0.00 C ATOM 649 O ASN A 43 -6.639 -1.935 -3.097 1.00 0.00 O ATOM 650 CB ASN A 43 -7.815 0.145 -5.438 1.00 0.00 C ATOM 651 CG ASN A 43 -8.740 0.506 -4.274 1.00 0.00 C ATOM 652 OD1 ASN A 43 -8.414 0.090 -3.063 1.00 0.00 O flip ATOM 653 ND2 ASN A 43 -9.745 1.182 -4.474 1.00 0.00 N flip ATOM 0 H ASN A 43 -8.906 -2.212 -4.875 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.460 -1.301 -6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.047 0.915 -5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.395 0.178 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.973 1.490 -5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.352 1.436 -3.695 1.00 0.00 H new ATOM 660 N ARG A 44 -5.067 -0.773 -4.204 1.00 0.00 N ATOM 661 CA ARG A 44 -4.043 -0.892 -3.176 1.00 0.00 C ATOM 662 C ARG A 44 -4.338 0.001 -1.979 1.00 0.00 C ATOM 663 O ARG A 44 -3.706 -0.132 -0.933 1.00 0.00 O ATOM 664 CB ARG A 44 -2.682 -0.532 -3.766 1.00 0.00 C ATOM 665 CG ARG A 44 -1.949 -1.694 -4.438 1.00 0.00 C ATOM 666 CD ARG A 44 -2.725 -2.288 -5.609 1.00 0.00 C ATOM 667 NE ARG A 44 -2.852 -1.359 -6.733 1.00 0.00 N ATOM 668 CZ ARG A 44 -3.485 -1.660 -7.870 1.00 0.00 C ATOM 669 NH1 ARG A 44 -4.006 -2.866 -8.045 1.00 0.00 N ATOM 670 NH2 ARG A 44 -3.580 -0.763 -8.842 1.00 0.00 N ATOM 0 H ARG A 44 -4.786 -0.202 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.037 -1.924 -2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.817 0.265 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.051 -0.133 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.977 -1.349 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.761 -2.474 -3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.225 -3.195 -5.948 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.719 -2.580 -5.270 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.435 -0.433 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.924 -3.568 -7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.489 -3.092 -8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.168 0.163 -8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.065 -0.999 -9.708 1.00 0.00 H new ATOM 684 N ALA A 45 -5.292 0.913 -2.139 1.00 0.00 N ATOM 685 CA ALA A 45 -5.678 1.811 -1.059 1.00 0.00 C ATOM 686 C ALA A 45 -6.230 1.024 0.126 1.00 0.00 C ATOM 687 O ALA A 45 -5.955 1.335 1.275 1.00 0.00 O ATOM 688 CB ALA A 45 -6.704 2.818 -1.553 1.00 0.00 C ATOM 0 H ALA A 45 -5.811 1.049 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.791 2.351 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.984 3.483 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.277 3.403 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.588 2.291 -1.911 1.00 0.00 H new ATOM 694 N CYS A 46 -7.001 -0.004 -0.189 1.00 0.00 N ATOM 695 CA CYS A 46 -7.577 -0.907 0.804 1.00 0.00 C ATOM 696 C CYS A 46 -6.470 -1.620 1.587 1.00 0.00 C ATOM 697 O CYS A 46 -6.497 -1.732 2.816 1.00 0.00 O ATOM 698 CB CYS A 46 -8.425 -1.933 0.060 1.00 0.00 C ATOM 699 SG CYS A 46 -9.523 -2.939 1.106 1.00 0.00 S ATOM 0 H CYS A 46 -7.249 -0.241 -1.150 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.183 -0.345 1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.033 -1.411 -0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.760 -2.601 -0.488 1.00 0.00 H new ATOM 704 N ALA A 47 -5.499 -2.106 0.843 1.00 0.00 N ATOM 705 CA ALA A 47 -4.327 -2.752 1.403 1.00 0.00 C ATOM 706 C ALA A 47 -3.563 -1.824 2.338 1.00 0.00 C ATOM 707 O ALA A 47 -3.225 -2.191 3.470 1.00 0.00 O ATOM 708 CB ALA A 47 -3.439 -3.202 0.274 1.00 0.00 C ATOM 0 H ALA A 47 -5.499 -2.064 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.649 -3.609 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.553 -3.690 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.982 -3.904 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.138 -2.338 -0.319 1.00 0.00 H new ATOM 714 N TYR A 48 -3.283 -0.624 1.870 1.00 0.00 N ATOM 715 CA TYR A 48 -2.611 0.347 2.704 1.00 0.00 C ATOM 716 C TYR A 48 -3.546 0.847 3.799 1.00 0.00 C ATOM 717 O TYR A 48 -3.097 1.386 4.811 1.00 0.00 O ATOM 718 CB TYR A 48 -2.034 1.492 1.869 1.00 0.00 C ATOM 719 CG TYR A 48 -0.578 1.272 1.496 1.00 0.00 C ATOM 720 CD1 TYR A 48 0.293 0.686 2.402 1.00 0.00 C ATOM 721 CD2 TYR A 48 -0.069 1.648 0.255 1.00 0.00 C ATOM 722 CE1 TYR A 48 1.622 0.484 2.094 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.261 1.450 -0.057 1.00 0.00 C ATOM 724 CZ TYR A 48 2.100 0.869 0.866 1.00 0.00 C ATOM 725 OH TYR A 48 3.426 0.684 0.562 1.00 0.00 O ATOM 0 H TYR A 48 -3.508 -0.302 0.928 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.766 -0.140 3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.624 1.606 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.125 2.424 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.077 0.381 3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.725 2.101 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.283 0.026 2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.642 1.750 -1.022 1.00 0.00 H new ATOM 0 HH TYR A 48 3.541 -0.179 0.113 1.00 0.00 H new ATOM 735 N ARG A 49 -4.848 0.634 3.616 1.00 0.00 N ATOM 736 CA ARG A 49 -5.802 0.882 4.684 1.00 0.00 C ATOM 737 C ARG A 49 -5.470 -0.025 5.855 1.00 0.00 C ATOM 738 O ARG A 49 -5.549 0.397 7.003 1.00 0.00 O ATOM 739 CB ARG A 49 -7.254 0.685 4.226 1.00 0.00 C ATOM 740 CG ARG A 49 -8.274 0.902 5.335 1.00 0.00 C ATOM 741 CD ARG A 49 -8.965 -0.395 5.728 1.00 0.00 C ATOM 742 NE ARG A 49 -9.951 -0.817 4.734 1.00 0.00 N ATOM 743 CZ ARG A 49 -10.413 -2.063 4.619 1.00 0.00 C ATOM 744 NH1 ARG A 49 -9.908 -3.038 5.362 1.00 0.00 N ATOM 745 NH2 ARG A 49 -11.373 -2.335 3.746 1.00 0.00 N ATOM 0 H ARG A 49 -5.259 0.294 2.746 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.720 1.925 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.466 1.374 3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.368 -0.324 3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.778 1.328 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.020 1.626 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.218 -1.179 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.456 -0.266 6.693 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.308 -0.114 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.161 -2.838 6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.266 -3.988 5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.758 -1.592 3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.727 -3.288 3.657 1.00 0.00 H new ATOM 759 N LYS A 50 -5.080 -1.269 5.565 1.00 0.00 N ATOM 760 CA LYS A 50 -4.504 -2.133 6.585 1.00 0.00 C ATOM 761 C LYS A 50 -3.313 -1.479 7.217 1.00 0.00 C ATOM 762 O LYS A 50 -3.219 -1.396 8.438 1.00 0.00 O ATOM 763 CB LYS A 50 -4.051 -3.466 5.992 1.00 0.00 C ATOM 764 CG LYS A 50 -2.934 -4.181 6.769 1.00 0.00 C ATOM 765 CD LYS A 50 -1.544 -3.860 6.224 1.00 0.00 C ATOM 766 CE LYS A 50 -0.435 -4.497 7.049 1.00 0.00 C ATOM 767 NZ LYS A 50 -0.556 -4.219 8.507 1.00 0.00 N ATOM 0 H LYS A 50 -5.154 -1.693 4.640 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.280 -2.309 7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.913 -4.131 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.709 -3.294 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.984 -3.893 7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.098 -5.258 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.472 -4.208 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.405 -2.779 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.445 -5.575 6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.529 -4.131 6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.388 -4.238 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.983 -3.281 8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.157 -4.943 8.950 1.00 0.00 H new ATOM 781 N MET A 51 -2.376 -1.101 6.356 1.00 0.00 N ATOM 782 CA MET A 51 -1.130 -0.450 6.794 1.00 0.00 C ATOM 783 C MET A 51 -1.386 0.579 7.899 1.00 0.00 C ATOM 784 O MET A 51 -0.618 0.678 8.858 1.00 0.00 O ATOM 785 CB MET A 51 -0.421 0.218 5.617 1.00 0.00 C ATOM 786 CG MET A 51 0.999 0.654 5.934 1.00 0.00 C ATOM 787 SD MET A 51 2.066 -0.741 6.341 1.00 0.00 S ATOM 788 CE MET A 51 3.630 0.090 6.597 1.00 0.00 C ATOM 0 H MET A 51 -2.448 -1.231 5.347 1.00 0.00 H new ATOM 0 HA MET A 51 -0.487 -1.231 7.199 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.401 -0.474 4.775 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.998 1.087 5.301 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.413 1.188 5.078 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.984 1.354 6.770 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.393 -0.643 6.857 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.921 0.608 5.683 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.530 0.812 7.407 1.00 0.00 H new ATOM 798 N CYS A 52 -2.471 1.328 7.772 1.00 0.00 N ATOM 799 CA CYS A 52 -2.858 2.281 8.803 1.00 0.00 C ATOM 800 C CYS A 52 -3.706 1.616 9.896 1.00 0.00 C ATOM 801 O CYS A 52 -3.470 1.828 11.086 1.00 0.00 O ATOM 802 CB CYS A 52 -3.631 3.442 8.177 1.00 0.00 C ATOM 803 SG CYS A 52 -4.119 4.752 9.348 1.00 0.00 S ATOM 0 H CYS A 52 -3.098 1.295 6.968 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.948 2.658 9.269 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.020 3.885 7.391 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.528 3.048 7.699 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.765 5.684 8.712 1.00 0.00 H new ATOM 808 N ALA A 53 -4.671 0.795 9.485 1.00 0.00 N ATOM 809 CA ALA A 53 -5.647 0.215 10.406 1.00 0.00 C ATOM 810 C ALA A 53 -5.105 -0.997 11.165 1.00 0.00 C ATOM 811 O ALA A 53 -4.856 -0.913 12.370 1.00 0.00 O ATOM 812 CB ALA A 53 -6.922 -0.159 9.665 1.00 0.00 C ATOM 0 H ALA A 53 -4.798 0.515 8.512 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.867 0.982 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.637 -0.589 10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.352 0.732 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.691 -0.889 8.889 1.00 0.00 H new ATOM 818 N THR A 54 -4.921 -2.128 10.480 1.00 0.00 N ATOM 819 CA THR A 54 -4.543 -3.353 11.178 1.00 0.00 C ATOM 820 C THR A 54 -3.988 -4.454 10.250 1.00 0.00 C ATOM 821 O THR A 54 -2.779 -4.694 10.258 1.00 0.00 O ATOM 822 CB THR A 54 -5.705 -3.891 12.067 1.00 0.00 C ATOM 823 OG1 THR A 54 -5.345 -5.148 12.652 1.00 0.00 O ATOM 824 CG2 THR A 54 -7.014 -4.035 11.295 1.00 0.00 C ATOM 0 H THR A 54 -5.025 -2.219 9.469 1.00 0.00 H new ATOM 0 HA THR A 54 -3.717 -3.072 11.831 1.00 0.00 H new ATOM 0 HB THR A 54 -5.869 -3.153 12.853 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.083 -5.473 13.209 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.790 -4.413 11.961 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.314 -3.063 10.903 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.874 -4.732 10.469 1.00 0.00 H new ATOM 832 N ASN A 55 -4.821 -5.105 9.431 1.00 0.00 N ATOM 833 CA ASN A 55 -4.375 -6.304 8.728 1.00 0.00 C ATOM 834 C ASN A 55 -5.140 -6.561 7.435 1.00 0.00 C ATOM 835 O ASN A 55 -6.363 -6.597 7.406 1.00 0.00 O ATOM 836 CB ASN A 55 -4.422 -7.544 9.639 1.00 0.00 C ATOM 837 CG ASN A 55 -5.742 -7.728 10.378 1.00 0.00 C ATOM 838 OD1 ASN A 55 -5.676 -8.349 11.545 1.00 0.00 O flip ATOM 839 ND2 ASN A 55 -6.806 -7.319 9.912 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.785 -4.828 9.244 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.338 -6.115 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.230 -8.431 9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.616 -7.475 10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.818 -6.845 9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.675 -7.455 10.429 1.00 0.00 H new ATOM 846 N ASN A 56 -4.362 -6.775 6.381 1.00 0.00 N ATOM 847 CA ASN A 56 -4.836 -6.939 5.010 1.00 0.00 C ATOM 848 C ASN A 56 -3.632 -7.279 4.149 1.00 0.00 C ATOM 849 O ASN A 56 -3.266 -8.438 3.964 1.00 0.00 O ATOM 850 CB ASN A 56 -5.445 -5.650 4.406 1.00 0.00 C ATOM 851 CG ASN A 56 -6.910 -5.409 4.665 1.00 0.00 C ATOM 852 OD1 ASN A 56 -7.307 -4.853 5.690 1.00 0.00 O ATOM 853 ND2 ASN A 56 -7.704 -5.746 3.685 1.00 0.00 N ATOM 0 H ASN A 56 -3.347 -6.842 6.459 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.608 -7.708 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.886 -4.797 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.289 -5.673 3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.703 -5.550 3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.325 -6.205 2.857 1.00 0.00 H new ATOM 860 N LEU A 57 -2.981 -6.203 3.709 1.00 0.00 N ATOM 861 CA LEU A 57 -1.887 -6.225 2.742 1.00 0.00 C ATOM 862 C LEU A 57 -0.749 -7.131 3.178 1.00 0.00 C ATOM 863 O LEU A 57 -0.199 -7.875 2.370 1.00 0.00 O ATOM 864 CB LEU A 57 -1.407 -4.776 2.574 1.00 0.00 C ATOM 865 CG LEU A 57 -0.296 -4.507 1.569 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.697 -4.962 0.182 1.00 0.00 C ATOM 867 CD2 LEU A 57 0.040 -3.025 1.556 1.00 0.00 C ATOM 0 H LEU A 57 -3.209 -5.261 4.027 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.240 -6.633 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.267 -4.169 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.071 -4.420 3.548 1.00 0.00 H new ATOM 0 HG LEU A 57 0.585 -5.074 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.115 -4.758 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.904 -6.032 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.591 -4.424 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.836 -2.839 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.845 -2.454 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.370 -2.718 2.548 1.00 0.00 H new ATOM 879 N GLU A 58 -0.504 -7.143 4.472 1.00 0.00 N ATOM 880 CA GLU A 58 0.751 -7.636 5.039 1.00 0.00 C ATOM 881 C GLU A 58 1.023 -9.078 4.674 1.00 0.00 C ATOM 882 O GLU A 58 2.167 -9.494 4.604 1.00 0.00 O ATOM 883 CB GLU A 58 0.734 -7.488 6.553 1.00 0.00 C ATOM 884 CG GLU A 58 -0.434 -8.186 7.225 1.00 0.00 C ATOM 885 CD GLU A 58 -0.654 -7.681 8.630 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.033 -8.147 9.562 1.00 0.00 O ATOM 887 OE2 GLU A 58 -1.503 -6.789 8.801 1.00 0.00 O ATOM 0 H GLU A 58 -1.169 -6.811 5.171 1.00 0.00 H new ATOM 0 HA GLU A 58 1.552 -7.032 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.664 -7.886 6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.705 -6.428 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.338 -8.030 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.251 -9.260 7.249 1.00 0.00 H new ATOM 894 N GLN A 59 -0.033 -9.822 4.429 1.00 0.00 N ATOM 895 CA GLN A 59 0.078 -11.230 4.130 1.00 0.00 C ATOM 896 C GLN A 59 1.174 -11.495 3.066 1.00 0.00 C ATOM 897 O GLN A 59 2.247 -12.035 3.375 1.00 0.00 O ATOM 898 CB GLN A 59 -1.306 -11.726 3.722 1.00 0.00 C ATOM 899 CG GLN A 59 -1.444 -13.235 3.656 1.00 0.00 C ATOM 900 CD GLN A 59 -2.892 -13.671 3.528 1.00 0.00 C ATOM 901 OE1 GLN A 59 -3.726 -12.803 2.971 1.00 0.00 O flip ATOM 902 NE2 GLN A 59 -3.266 -14.765 3.951 1.00 0.00 N flip ATOM 0 H GLN A 59 -0.990 -9.468 4.432 1.00 0.00 H new ATOM 0 HA GLN A 59 0.403 -11.792 5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.039 -11.338 4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.553 -11.309 2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.875 -13.614 2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.010 -13.678 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.594 -15.406 4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.248 -15.031 3.879 1.00 0.00 H new ATOM 911 N ALA A 60 0.968 -11.011 1.855 1.00 0.00 N ATOM 912 CA ALA A 60 1.881 -11.313 0.758 1.00 0.00 C ATOM 913 C ALA A 60 3.045 -10.363 0.732 1.00 0.00 C ATOM 914 O ALA A 60 4.187 -10.782 0.855 1.00 0.00 O ATOM 915 CB ALA A 60 1.172 -11.252 -0.566 1.00 0.00 C ATOM 0 H ALA A 60 0.183 -10.411 1.603 1.00 0.00 H new ATOM 0 HA ALA A 60 2.252 -12.324 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.876 -11.481 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.360 -11.979 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.766 -10.252 -0.715 1.00 0.00 H new ATOM 921 N MET A 61 2.747 -9.090 0.496 1.00 0.00 N ATOM 922 CA MET A 61 3.764 -8.043 0.552 1.00 0.00 C ATOM 923 C MET A 61 4.774 -8.258 1.688 1.00 0.00 C ATOM 924 O MET A 61 5.974 -8.230 1.431 1.00 0.00 O ATOM 925 CB MET A 61 3.120 -6.654 0.641 1.00 0.00 C ATOM 926 CG MET A 61 2.138 -6.472 1.779 1.00 0.00 C ATOM 927 SD MET A 61 2.879 -5.986 3.350 1.00 0.00 S ATOM 928 CE MET A 61 2.679 -4.205 3.338 1.00 0.00 C ATOM 0 H MET A 61 1.811 -8.757 0.264 1.00 0.00 H new ATOM 0 HA MET A 61 4.326 -8.103 -0.380 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.910 -5.910 0.741 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.606 -6.448 -0.298 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.406 -5.718 1.491 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.594 -7.406 1.924 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.569 -3.736 3.759 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.538 -3.862 2.313 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.809 -3.933 3.935 1.00 0.00 H new ATOM 938 N SER A 62 4.321 -8.514 2.922 1.00 0.00 N ATOM 939 CA SER A 62 5.285 -8.678 4.025 1.00 0.00 C ATOM 940 C SER A 62 6.025 -10.017 3.939 1.00 0.00 C ATOM 941 O SER A 62 7.163 -10.118 4.397 1.00 0.00 O ATOM 942 CB SER A 62 4.651 -8.521 5.410 1.00 0.00 C ATOM 943 OG SER A 62 4.079 -7.236 5.582 1.00 0.00 O ATOM 0 H SER A 62 3.339 -8.609 3.179 1.00 0.00 H new ATOM 0 HA SER A 62 6.003 -7.868 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.883 -9.282 5.547 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.407 -8.689 6.177 1.00 0.00 H new ATOM 0 HG SER A 62 4.055 -6.771 4.720 1.00 0.00 H new ATOM 949 N VAL A 63 5.391 -11.060 3.386 1.00 0.00 N ATOM 950 CA VAL A 63 6.134 -12.288 3.087 1.00 0.00 C ATOM 951 C VAL A 63 7.165 -12.048 1.968 1.00 0.00 C ATOM 952 O VAL A 63 8.270 -12.595 1.995 1.00 0.00 O ATOM 953 CB VAL A 63 5.191 -13.456 2.704 1.00 0.00 C ATOM 954 CG1 VAL A 63 5.958 -14.595 2.046 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.462 -13.966 3.937 1.00 0.00 C ATOM 0 H VAL A 63 4.400 -11.080 3.144 1.00 0.00 H new ATOM 0 HA VAL A 63 6.662 -12.571 3.998 1.00 0.00 H new ATOM 0 HB VAL A 63 4.464 -13.078 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.267 -15.398 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.444 -14.231 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.713 -14.972 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.802 -14.787 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.188 -14.319 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.872 -13.159 4.371 1.00 0.00 H new ATOM 965 N TYR A 64 6.802 -11.211 1.004 1.00 0.00 N ATOM 966 CA TYR A 64 7.652 -10.936 -0.152 1.00 0.00 C ATOM 967 C TYR A 64 8.827 -10.016 0.184 1.00 0.00 C ATOM 968 O TYR A 64 9.981 -10.453 0.186 1.00 0.00 O ATOM 969 CB TYR A 64 6.819 -10.335 -1.286 1.00 0.00 C ATOM 970 CG TYR A 64 6.453 -11.336 -2.356 1.00 0.00 C ATOM 971 CD1 TYR A 64 5.707 -12.468 -2.054 1.00 0.00 C ATOM 972 CD2 TYR A 64 6.877 -11.160 -3.666 1.00 0.00 C ATOM 973 CE1 TYR A 64 5.388 -13.392 -3.030 1.00 0.00 C ATOM 974 CE2 TYR A 64 6.566 -12.081 -4.646 1.00 0.00 C ATOM 975 CZ TYR A 64 5.823 -13.195 -4.324 1.00 0.00 C ATOM 976 OH TYR A 64 5.520 -14.120 -5.297 1.00 0.00 O ATOM 0 H TYR A 64 5.916 -10.706 0.999 1.00 0.00 H new ATOM 0 HA TYR A 64 8.075 -11.889 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.906 -9.909 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.375 -9.515 -1.741 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.371 -12.628 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.460 -10.288 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.801 -14.264 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.904 -11.929 -5.660 1.00 0.00 H new ATOM 0 HH TYR A 64 5.900 -13.831 -6.153 1.00 0.00 H new ATOM 986 N PHE A 65 8.542 -8.747 0.456 1.00 0.00 N ATOM 987 CA PHE A 65 9.598 -7.775 0.726 1.00 0.00 C ATOM 988 C PHE A 65 10.024 -7.865 2.189 1.00 0.00 C ATOM 989 O PHE A 65 9.409 -8.582 2.979 1.00 0.00 O ATOM 990 CB PHE A 65 9.141 -6.342 0.352 1.00 0.00 C ATOM 991 CG PHE A 65 7.902 -5.867 1.037 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.787 -5.897 2.416 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.852 -5.375 0.293 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.649 -5.451 3.033 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.712 -4.920 0.907 1.00 0.00 C ATOM 996 CZ PHE A 65 5.614 -4.958 2.278 1.00 0.00 C ATOM 0 H PHE A 65 7.596 -8.368 0.496 1.00 0.00 H new ATOM 0 HA PHE A 65 10.462 -8.009 0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.951 -5.649 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.980 -6.300 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.604 -6.276 3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.927 -5.347 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.566 -5.487 4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.895 -4.534 0.316 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.719 -4.598 2.763 1.00 0.00 H new ATOM 1006 N THR A 66 11.074 -7.152 2.547 1.00 0.00 N ATOM 1007 CA THR A 66 11.568 -7.180 3.909 1.00 0.00 C ATOM 1008 C THR A 66 11.056 -5.994 4.719 1.00 0.00 C ATOM 1009 O THR A 66 10.438 -5.078 4.166 1.00 0.00 O ATOM 1010 CB THR A 66 13.104 -7.197 3.934 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.613 -6.166 3.078 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.632 -8.550 3.488 1.00 0.00 C ATOM 0 H THR A 66 11.600 -6.548 1.915 1.00 0.00 H new ATOM 0 HA THR A 66 11.192 -8.095 4.366 1.00 0.00 H new ATOM 0 HB THR A 66 13.439 -7.017 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.593 -6.179 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.722 -8.541 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.260 -9.325 4.158 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.294 -8.756 2.472 1.00 0.00 H new ATOM 1020 N ASN A 67 11.306 -6.019 6.024 1.00 0.00 N ATOM 1021 CA ASN A 67 10.896 -4.935 6.917 1.00 0.00 C ATOM 1022 C ASN A 67 11.375 -3.574 6.409 1.00 0.00 C ATOM 1023 O ASN A 67 10.590 -2.631 6.299 1.00 0.00 O ATOM 1024 CB ASN A 67 11.400 -5.182 8.352 1.00 0.00 C ATOM 1025 CG ASN A 67 12.850 -5.652 8.438 1.00 0.00 C ATOM 1026 OD1 ASN A 67 13.675 -5.377 7.565 1.00 0.00 O ATOM 1027 ND2 ASN A 67 13.175 -6.360 9.507 1.00 0.00 N ATOM 0 H ASN A 67 11.794 -6.783 6.492 1.00 0.00 H new ATOM 0 HA ASN A 67 9.806 -4.921 6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.295 -4.261 8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.760 -5.927 8.826 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.131 -6.694 9.626 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.469 -6.571 10.213 1.00 0.00 H new ATOM 1034 N GLU A 68 12.653 -3.484 6.073 1.00 0.00 N ATOM 1035 CA GLU A 68 13.239 -2.238 5.604 1.00 0.00 C ATOM 1036 C GLU A 68 12.691 -1.855 4.234 1.00 0.00 C ATOM 1037 O GLU A 68 12.576 -0.674 3.914 1.00 0.00 O ATOM 1038 CB GLU A 68 14.762 -2.360 5.564 1.00 0.00 C ATOM 1039 CG GLU A 68 15.264 -3.519 4.722 1.00 0.00 C ATOM 1040 CD GLU A 68 16.751 -3.734 4.871 1.00 0.00 C ATOM 1041 OE1 GLU A 68 17.531 -2.867 4.428 1.00 0.00 O ATOM 1042 OE2 GLU A 68 17.153 -4.771 5.440 1.00 0.00 O ATOM 0 H GLU A 68 13.308 -4.265 6.117 1.00 0.00 H new ATOM 0 HA GLU A 68 12.968 -1.445 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.181 -1.432 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.134 -2.475 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.737 -4.429 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.029 -3.332 3.674 1.00 0.00 H new ATOM 1049 N GLN A 69 12.331 -2.857 3.442 1.00 0.00 N ATOM 1050 CA GLN A 69 11.750 -2.622 2.128 1.00 0.00 C ATOM 1051 C GLN A 69 10.441 -1.859 2.263 1.00 0.00 C ATOM 1052 O GLN A 69 10.183 -0.914 1.525 1.00 0.00 O ATOM 1053 CB GLN A 69 11.491 -3.951 1.414 1.00 0.00 C ATOM 1054 CG GLN A 69 12.015 -4.018 -0.016 1.00 0.00 C ATOM 1055 CD GLN A 69 11.241 -3.141 -0.989 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.785 -2.659 -1.978 1.00 0.00 O ATOM 1057 NE2 GLN A 69 9.957 -2.941 -0.735 1.00 0.00 N ATOM 0 H GLN A 69 12.432 -3.842 3.688 1.00 0.00 H new ATOM 0 HA GLN A 69 12.455 -2.032 1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.949 -4.754 1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.417 -4.138 1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.063 -3.719 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.976 -5.051 -0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.531 -3.354 0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.394 -2.374 -1.369 1.00 0.00 H new ATOM 1066 N ILE A 70 9.610 -2.270 3.210 1.00 0.00 N ATOM 1067 CA ILE A 70 8.323 -1.626 3.391 1.00 0.00 C ATOM 1068 C ILE A 70 8.455 -0.338 4.209 1.00 0.00 C ATOM 1069 O ILE A 70 7.568 0.512 4.186 1.00 0.00 O ATOM 1070 CB ILE A 70 7.258 -2.590 3.973 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.891 -1.909 4.036 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.646 -3.139 5.336 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.433 -1.391 2.691 1.00 0.00 C ATOM 0 H ILE A 70 9.802 -3.036 3.855 1.00 0.00 H new ATOM 0 HA ILE A 70 7.962 -1.343 2.402 1.00 0.00 H new ATOM 0 HB ILE A 70 7.200 -3.441 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.155 -2.616 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.935 -1.081 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.864 -3.808 5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.584 -3.689 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.769 -2.315 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.457 -0.918 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.152 -0.661 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.360 -2.220 1.987 1.00 0.00 H new ATOM 1085 N LYS A 71 9.580 -0.173 4.901 1.00 0.00 N ATOM 1086 CA LYS A 71 9.946 1.146 5.406 1.00 0.00 C ATOM 1087 C LYS A 71 10.001 2.100 4.223 1.00 0.00 C ATOM 1088 O LYS A 71 9.374 3.169 4.223 1.00 0.00 O ATOM 1089 CB LYS A 71 11.307 1.114 6.110 1.00 0.00 C ATOM 1090 CG LYS A 71 11.349 0.236 7.350 1.00 0.00 C ATOM 1091 CD LYS A 71 10.277 0.636 8.345 1.00 0.00 C ATOM 1092 CE LYS A 71 10.487 -0.018 9.699 1.00 0.00 C ATOM 1093 NZ LYS A 71 9.449 0.406 10.674 1.00 0.00 N ATOM 0 H LYS A 71 10.240 -0.919 5.121 1.00 0.00 H new ATOM 0 HA LYS A 71 9.206 1.473 6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.060 0.762 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.582 2.131 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.212 -0.807 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.330 0.312 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.277 1.720 8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.298 0.357 7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.463 -1.102 9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.474 0.242 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.621 -0.059 11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.489 1.438 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.509 0.136 10.320 1.00 0.00 H new ATOM 1107 N GLU A 72 10.711 1.659 3.193 1.00 0.00 N ATOM 1108 CA GLU A 72 10.867 2.428 1.976 1.00 0.00 C ATOM 1109 C GLU A 72 9.516 2.728 1.344 1.00 0.00 C ATOM 1110 O GLU A 72 9.217 3.880 1.054 1.00 0.00 O ATOM 1111 CB GLU A 72 11.758 1.682 0.984 1.00 0.00 C ATOM 1112 CG GLU A 72 13.073 1.222 1.586 1.00 0.00 C ATOM 1113 CD GLU A 72 13.942 0.468 0.604 1.00 0.00 C ATOM 1114 OE1 GLU A 72 13.485 -0.552 0.052 1.00 0.00 O ATOM 1115 OE2 GLU A 72 15.090 0.894 0.383 1.00 0.00 O ATOM 0 H GLU A 72 11.192 0.760 3.182 1.00 0.00 H new ATOM 0 HA GLU A 72 11.342 3.374 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.218 0.815 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.963 2.330 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.620 2.089 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.869 0.584 2.446 1.00 0.00 H new ATOM 1122 N ILE A 73 8.689 1.699 1.149 1.00 0.00 N ATOM 1123 CA ILE A 73 7.393 1.889 0.496 1.00 0.00 C ATOM 1124 C ILE A 73 6.406 2.636 1.396 1.00 0.00 C ATOM 1125 O ILE A 73 5.387 3.127 0.919 1.00 0.00 O ATOM 1126 CB ILE A 73 6.727 0.570 0.023 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.746 -0.548 -0.138 1.00 0.00 C ATOM 1128 CG2 ILE A 73 6.022 0.806 -1.300 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.144 -1.889 -0.476 1.00 0.00 C ATOM 0 H ILE A 73 8.889 0.739 1.429 1.00 0.00 H new ATOM 0 HA ILE A 73 7.622 2.485 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 73 6.009 0.264 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.452 -0.271 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.316 -0.641 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.554 -0.120 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.258 1.574 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.747 1.134 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.938 -2.630 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.461 -2.191 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.598 -1.816 -1.417 1.00 0.00 H new ATOM 1141 N HIS A 74 6.695 2.727 2.690 1.00 0.00 N ATOM 1142 CA HIS A 74 5.836 3.496 3.587 1.00 0.00 C ATOM 1143 C HIS A 74 6.090 4.984 3.383 1.00 0.00 C ATOM 1144 O HIS A 74 5.153 5.764 3.254 1.00 0.00 O ATOM 1145 CB HIS A 74 6.054 3.108 5.058 1.00 0.00 C ATOM 1146 CG HIS A 74 5.015 3.663 5.998 1.00 0.00 C ATOM 1147 ND1 HIS A 74 5.178 3.709 7.368 1.00 0.00 N ATOM 1148 CD2 HIS A 74 3.783 4.184 5.759 1.00 0.00 C ATOM 1149 CE1 HIS A 74 4.101 4.227 7.924 1.00 0.00 C ATOM 1150 NE2 HIS A 74 3.240 4.525 6.973 1.00 0.00 N ATOM 0 H HIS A 74 7.501 2.288 3.136 1.00 0.00 H new ATOM 0 HA HIS A 74 4.798 3.267 3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.060 2.021 5.140 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.038 3.456 5.373 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.317 4.307 4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.950 4.381 8.982 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.320 4.941 7.115 1.00 0.00 H new ATOM 1159 N ASP A 75 7.360 5.372 3.314 1.00 0.00 N ATOM 1160 CA ASP A 75 7.710 6.755 3.043 1.00 0.00 C ATOM 1161 C ASP A 75 7.373 7.039 1.593 1.00 0.00 C ATOM 1162 O ASP A 75 6.946 8.130 1.224 1.00 0.00 O ATOM 1163 CB ASP A 75 9.202 6.969 3.309 1.00 0.00 C ATOM 1164 CG ASP A 75 9.595 8.428 3.422 1.00 0.00 C ATOM 1165 OD1 ASP A 75 9.510 8.976 4.540 1.00 0.00 O ATOM 1166 OD2 ASP A 75 10.037 9.016 2.421 1.00 0.00 O ATOM 0 H ASP A 75 8.157 4.749 3.442 1.00 0.00 H new ATOM 0 HA ASP A 75 7.155 7.434 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.476 6.455 4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.776 6.508 2.505 1.00 0.00 H new ATOM 1171 N ALA A 76 7.517 5.995 0.796 1.00 0.00 N ATOM 1172 CA ALA A 76 7.220 6.035 -0.615 1.00 0.00 C ATOM 1173 C ALA A 76 5.754 6.297 -0.888 1.00 0.00 C ATOM 1174 O ALA A 76 5.421 7.173 -1.648 1.00 0.00 O ATOM 1175 CB ALA A 76 7.622 4.730 -1.258 1.00 0.00 C ATOM 0 H ALA A 76 7.848 5.086 1.120 1.00 0.00 H new ATOM 0 HA ALA A 76 7.789 6.861 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.396 4.765 -2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.691 4.570 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.070 3.912 -0.796 1.00 0.00 H new ATOM 1181 N ALA A 77 4.871 5.542 -0.285 1.00 0.00 N ATOM 1182 CA ALA A 77 3.471 5.640 -0.652 1.00 0.00 C ATOM 1183 C ALA A 77 2.712 6.650 0.202 1.00 0.00 C ATOM 1184 O ALA A 77 1.610 7.063 -0.152 1.00 0.00 O ATOM 1185 CB ALA A 77 2.827 4.275 -0.608 1.00 0.00 C ATOM 0 H ALA A 77 5.084 4.865 0.447 1.00 0.00 H new ATOM 0 HA ALA A 77 3.421 6.015 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.776 4.359 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.334 3.611 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.905 3.868 0.400 1.00 0.00 H new ATOM 1191 N THR A 78 3.296 7.061 1.320 1.00 0.00 N ATOM 1192 CA THR A 78 2.691 8.107 2.134 1.00 0.00 C ATOM 1193 C THR A 78 3.107 9.482 1.616 1.00 0.00 C ATOM 1194 O THR A 78 2.278 10.381 1.457 1.00 0.00 O ATOM 1195 CB THR A 78 3.078 7.965 3.622 1.00 0.00 C ATOM 1196 OG1 THR A 78 2.607 6.709 4.133 1.00 0.00 O ATOM 1197 CG2 THR A 78 2.502 9.100 4.457 1.00 0.00 C ATOM 0 H THR A 78 4.176 6.692 1.680 1.00 0.00 H new ATOM 0 HA THR A 78 1.609 8.003 2.058 1.00 0.00 H new ATOM 0 HB THR A 78 4.165 8.007 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.228 5.997 3.873 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.793 8.969 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.885 10.052 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.415 9.092 4.381 1.00 0.00 H new ATOM 1205 N ALA A 79 4.395 9.628 1.333 1.00 0.00 N ATOM 1206 CA ALA A 79 4.937 10.885 0.840 1.00 0.00 C ATOM 1207 C ALA A 79 5.037 10.889 -0.674 1.00 0.00 C ATOM 1208 O ALA A 79 5.439 11.892 -1.271 1.00 0.00 O ATOM 1209 CB ALA A 79 6.309 11.143 1.431 1.00 0.00 C ATOM 0 H ALA A 79 5.087 8.886 1.438 1.00 0.00 H new ATOM 0 HA ALA A 79 4.253 11.675 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.697 12.088 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.234 11.193 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.984 10.334 1.151 1.00 0.00 H new ATOM 1215 N CYS A 80 4.701 9.744 -1.280 1.00 0.00 N ATOM 1216 CA CYS A 80 4.933 9.506 -2.698 1.00 0.00 C ATOM 1217 C CYS A 80 6.387 9.810 -3.021 1.00 0.00 C ATOM 1218 O CYS A 80 6.720 10.580 -3.921 1.00 0.00 O ATOM 1219 CB CYS A 80 3.913 10.216 -3.598 1.00 0.00 C ATOM 1220 SG CYS A 80 3.084 11.683 -2.879 1.00 0.00 S ATOM 0 H CYS A 80 4.261 8.961 -0.796 1.00 0.00 H new ATOM 0 HA CYS A 80 4.764 8.452 -2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.419 10.523 -4.514 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.147 9.495 -3.883 1.00 0.00 H new ATOM 1225 N ASP A 81 7.242 9.140 -2.245 1.00 0.00 N ATOM 1226 CA ASP A 81 8.669 9.410 -2.198 1.00 0.00 C ATOM 1227 C ASP A 81 9.447 8.129 -1.905 1.00 0.00 C ATOM 1228 O ASP A 81 9.925 7.931 -0.789 1.00 0.00 O ATOM 1229 CB ASP A 81 8.942 10.400 -1.073 1.00 0.00 C ATOM 1230 CG ASP A 81 10.251 11.143 -1.248 1.00 0.00 C ATOM 1231 OD1 ASP A 81 11.110 10.682 -2.032 1.00 0.00 O ATOM 1232 OD2 ASP A 81 10.414 12.214 -0.626 1.00 0.00 O ATOM 0 H ASP A 81 6.952 8.384 -1.625 1.00 0.00 H new ATOM 0 HA ASP A 81 8.984 9.812 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.125 11.120 -1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.956 9.867 -0.122 1.00 0.00 H new