USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 16 SER OG : rot 134:sc= 1.22 USER MOD Set 1.2: A 56 GLN : amide:sc= -3.45 K(o=-2.2,f=-4.4!) USER MOD Single : A 22 ASN : amide:sc= 0.9 K(o=0.9,f=-0.0016) USER MOD Single : A 24 ASN : amide:sc= -4.84! C(o=-4.8!,f=-5.5!) USER MOD Single : A 25 THR OG1 : rot -110:sc= -0.0573 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= 0.0142 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 18:sc= 0.407 USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.0276 (180deg=-0.391) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0204 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 150:sc= -3.13 USER MOD Single : A 47 SER OG : rot 180:sc= -0.035 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -163:sc= -4.57! USER MOD Single : A 59 ASN : amide:sc= -2.47! C(o=-2.5!,f=-3.3!) USER MOD Single : A 62 ASN : amide:sc= -1.91! X(o=-1.9!,f=-2.1) USER MOD Single : A 74 MET CE :methyl 165:sc= 0 (180deg=-0.192) USER MOD Single : A 78 GLN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 83 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 194 N SER A 16 8.917 -0.304 6.500 1.00 0.00 N ATOM 195 CA SER A 16 8.202 0.540 5.557 1.00 0.00 C ATOM 196 C SER A 16 7.406 -0.326 4.579 1.00 0.00 C ATOM 197 O SER A 16 7.966 -0.867 3.626 1.00 0.00 O ATOM 198 CB SER A 16 9.165 1.453 4.796 1.00 0.00 C ATOM 199 OG SER A 16 10.355 0.771 4.409 1.00 0.00 O ATOM 0 HA SER A 16 7.512 1.171 6.117 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.668 1.846 3.909 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.424 2.308 5.421 1.00 0.00 H new ATOM 0 HG SER A 16 10.563 0.981 3.475 1.00 0.00 H new ATOM 205 N ARG A 17 6.113 -0.430 4.847 1.00 0.00 N ATOM 206 CA ARG A 17 5.235 -1.221 4.002 1.00 0.00 C ATOM 207 C ARG A 17 3.859 -0.560 3.901 1.00 0.00 C ATOM 208 O ARG A 17 3.353 -0.017 4.883 1.00 0.00 O ATOM 209 CB ARG A 17 5.072 -2.640 4.552 1.00 0.00 C ATOM 210 CG ARG A 17 5.212 -3.679 3.438 1.00 0.00 C ATOM 211 CD ARG A 17 4.865 -5.079 3.948 1.00 0.00 C ATOM 212 NE ARG A 17 6.050 -5.694 4.586 1.00 0.00 N ATOM 213 CZ ARG A 17 6.397 -5.502 5.866 1.00 0.00 C ATOM 214 NH1 ARG A 17 5.653 -4.713 6.652 1.00 0.00 N ATOM 215 NH2 ARG A 17 7.490 -6.101 6.361 1.00 0.00 N ATOM 0 H ARG A 17 5.652 0.020 5.638 1.00 0.00 H new ATOM 0 HA ARG A 17 5.689 -1.277 3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.821 -2.824 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.096 -2.740 5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.556 -3.418 2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.232 -3.670 3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.045 -5.021 4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.523 -5.702 3.121 1.00 0.00 H new ATOM 0 HE ARG A 17 6.639 -6.301 4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.821 -4.258 6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.918 -4.568 7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.057 -6.702 5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.754 -5.955 7.335 1.00 0.00 H new ATOM 229 N VAL A 18 3.292 -0.627 2.706 1.00 0.00 N ATOM 230 CA VAL A 18 1.984 -0.042 2.464 1.00 0.00 C ATOM 231 C VAL A 18 1.076 -1.085 1.809 1.00 0.00 C ATOM 232 O VAL A 18 1.466 -1.729 0.836 1.00 0.00 O ATOM 233 CB VAL A 18 2.127 1.233 1.630 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.773 1.918 1.437 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.140 2.190 2.262 1.00 0.00 C ATOM 0 H VAL A 18 3.714 -1.078 1.894 1.00 0.00 H new ATOM 0 HA VAL A 18 1.517 0.251 3.405 1.00 0.00 H new ATOM 0 HB VAL A 18 2.501 0.949 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.904 2.821 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.092 1.240 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.357 2.182 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.223 3.088 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.807 2.463 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.113 1.702 2.324 1.00 0.00 H new ATOM 245 N PHE A 19 -0.117 -1.219 2.369 1.00 0.00 N ATOM 246 CA PHE A 19 -1.083 -2.173 1.852 1.00 0.00 C ATOM 247 C PHE A 19 -2.182 -1.465 1.057 1.00 0.00 C ATOM 248 O PHE A 19 -3.122 -0.924 1.636 1.00 0.00 O ATOM 249 CB PHE A 19 -1.713 -2.871 3.059 1.00 0.00 C ATOM 250 CG PHE A 19 -3.048 -3.554 2.756 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.334 -3.957 1.489 1.00 0.00 C ATOM 252 CD2 PHE A 19 -3.950 -3.759 3.754 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.573 -4.591 1.208 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.189 -4.393 3.473 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.474 -4.795 2.206 1.00 0.00 C ATOM 0 H PHE A 19 -0.437 -0.683 3.176 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.588 -2.879 1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.014 -3.615 3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.863 -2.138 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.619 -3.795 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.723 -3.439 4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.800 -4.911 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.905 -4.556 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.417 -5.277 1.992 1.00 0.00 H new ATOM 265 N ILE A 20 -2.026 -1.491 -0.259 1.00 0.00 N ATOM 266 CA ILE A 20 -2.992 -0.858 -1.140 1.00 0.00 C ATOM 267 C ILE A 20 -4.167 -1.811 -1.369 1.00 0.00 C ATOM 268 O ILE A 20 -3.981 -2.927 -1.853 1.00 0.00 O ATOM 269 CB ILE A 20 -2.317 -0.393 -2.431 1.00 0.00 C ATOM 270 CG1 ILE A 20 -1.119 0.510 -2.129 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.323 0.283 -3.364 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.188 -0.143 -2.582 1.00 0.00 C ATOM 0 H ILE A 20 -1.245 -1.941 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.396 0.043 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.935 -1.271 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.245 1.468 -2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.075 0.716 -1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.816 0.604 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.114 -0.422 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.756 1.150 -2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.023 0.520 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.323 -1.089 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.150 -0.326 -3.656 1.00 0.00 H new ATOM 284 N GLY A 21 -5.351 -1.336 -1.011 1.00 0.00 N ATOM 285 CA GLY A 21 -6.556 -2.132 -1.172 1.00 0.00 C ATOM 286 C GLY A 21 -7.522 -1.471 -2.158 1.00 0.00 C ATOM 287 O GLY A 21 -7.281 -0.355 -2.615 1.00 0.00 O ATOM 0 H GLY A 21 -5.502 -0.410 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.293 -3.128 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.045 -2.257 -0.206 1.00 0.00 H new ATOM 291 N ASN A 22 -8.595 -2.189 -2.456 1.00 0.00 N ATOM 292 CA ASN A 22 -9.599 -1.686 -3.379 1.00 0.00 C ATOM 293 C ASN A 22 -8.905 -0.959 -4.533 1.00 0.00 C ATOM 294 O ASN A 22 -9.252 0.177 -4.853 1.00 0.00 O ATOM 295 CB ASN A 22 -10.534 -0.693 -2.688 1.00 0.00 C ATOM 296 CG ASN A 22 -11.905 -0.667 -3.368 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.659 -1.626 -3.339 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.185 0.481 -3.978 1.00 0.00 N ATOM 0 H ASN A 22 -8.791 -3.115 -2.075 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.179 -2.534 -3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.649 -0.966 -1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.093 0.304 -2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.076 0.598 -4.460 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.509 1.244 -3.964 1.00 0.00 H new ATOM 305 N LEU A 23 -7.938 -1.643 -5.126 1.00 0.00 N ATOM 306 CA LEU A 23 -7.192 -1.076 -6.237 1.00 0.00 C ATOM 307 C LEU A 23 -7.607 -1.776 -7.533 1.00 0.00 C ATOM 308 O LEU A 23 -7.393 -2.977 -7.690 1.00 0.00 O ATOM 309 CB LEU A 23 -5.689 -1.136 -5.959 1.00 0.00 C ATOM 310 CG LEU A 23 -4.804 -0.289 -6.876 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.423 -0.926 -7.046 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.489 -0.038 -8.221 1.00 0.00 C ATOM 0 H LEU A 23 -7.653 -2.585 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.428 -0.019 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.517 -0.822 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.367 -2.175 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.655 0.683 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.814 -0.304 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.939 -1.010 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.531 -1.918 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.839 0.566 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.688 -0.991 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.429 0.490 -8.058 1.00 0.00 H new ATOM 324 N ASN A 24 -8.193 -0.994 -8.428 1.00 0.00 N ATOM 325 CA ASN A 24 -8.639 -1.523 -9.705 1.00 0.00 C ATOM 326 C ASN A 24 -7.426 -2.000 -10.507 1.00 0.00 C ATOM 327 O ASN A 24 -6.974 -1.314 -11.422 1.00 0.00 O ATOM 328 CB ASN A 24 -9.356 -0.450 -10.526 1.00 0.00 C ATOM 329 CG ASN A 24 -10.490 -1.058 -11.353 1.00 0.00 C ATOM 330 OD1 ASN A 24 -10.699 -2.260 -11.379 1.00 0.00 O ATOM 331 ND2 ASN A 24 -11.209 -0.164 -12.026 1.00 0.00 N ATOM 0 H ASN A 24 -8.369 0.002 -8.294 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.327 -2.345 -9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.756 0.315 -9.861 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.644 0.044 -11.187 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.989 -0.470 -12.608 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.981 0.828 -11.960 1.00 0.00 H new ATOM 338 N THR A 25 -6.934 -3.172 -10.134 1.00 0.00 N ATOM 339 CA THR A 25 -5.783 -3.749 -10.807 1.00 0.00 C ATOM 340 C THR A 25 -6.166 -4.221 -12.211 1.00 0.00 C ATOM 341 O THR A 25 -5.338 -4.776 -12.931 1.00 0.00 O ATOM 342 CB THR A 25 -5.227 -4.865 -9.921 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.201 -5.901 -10.016 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.226 -4.490 -8.438 1.00 0.00 C ATOM 0 H THR A 25 -7.312 -3.738 -9.374 1.00 0.00 H new ATOM 0 HA THR A 25 -4.997 -3.007 -10.951 1.00 0.00 H new ATOM 0 HB THR A 25 -4.211 -5.106 -10.235 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.671 -5.987 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.822 -5.317 -7.854 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.610 -3.604 -8.287 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.246 -4.282 -8.115 1.00 0.00 H new ATOM 352 N LEU A 26 -7.423 -3.985 -12.557 1.00 0.00 N ATOM 353 CA LEU A 26 -7.927 -4.379 -13.862 1.00 0.00 C ATOM 354 C LEU A 26 -7.708 -3.237 -14.855 1.00 0.00 C ATOM 355 O LEU A 26 -7.783 -3.439 -16.066 1.00 0.00 O ATOM 356 CB LEU A 26 -9.384 -4.833 -13.759 1.00 0.00 C ATOM 357 CG LEU A 26 -9.619 -6.345 -13.781 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.049 -6.684 -13.354 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.276 -6.933 -15.151 1.00 0.00 C ATOM 0 H LEU A 26 -8.108 -3.526 -11.956 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.375 -5.240 -14.239 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.804 -4.434 -12.836 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.942 -4.387 -14.582 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.948 -6.805 -13.056 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.189 -7.765 -13.378 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.223 -6.318 -12.342 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.755 -6.211 -14.037 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.452 -8.009 -15.140 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.904 -6.471 -15.913 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.228 -6.739 -15.378 1.00 0.00 H new ATOM 371 N VAL A 27 -7.441 -2.061 -14.306 1.00 0.00 N ATOM 372 CA VAL A 27 -7.210 -0.886 -15.129 1.00 0.00 C ATOM 373 C VAL A 27 -5.879 -0.244 -14.733 1.00 0.00 C ATOM 374 O VAL A 27 -5.040 0.032 -15.588 1.00 0.00 O ATOM 375 CB VAL A 27 -8.395 0.075 -15.013 1.00 0.00 C ATOM 376 CG1 VAL A 27 -9.588 -0.423 -15.833 1.00 0.00 C ATOM 377 CG2 VAL A 27 -8.787 0.289 -13.550 1.00 0.00 C ATOM 0 H VAL A 27 -7.379 -1.897 -13.301 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.136 -1.165 -16.180 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.086 1.037 -15.421 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.416 0.278 -15.733 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.302 -0.500 -16.882 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.896 -1.403 -15.469 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.632 0.976 -13.496 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.067 -0.666 -13.105 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.942 0.709 -13.005 1.00 0.00 H new ATOM 387 N VAL A 28 -5.728 -0.025 -13.435 1.00 0.00 N ATOM 388 CA VAL A 28 -4.513 0.579 -12.915 1.00 0.00 C ATOM 389 C VAL A 28 -3.331 -0.356 -13.176 1.00 0.00 C ATOM 390 O VAL A 28 -3.495 -1.575 -13.209 1.00 0.00 O ATOM 391 CB VAL A 28 -4.691 0.919 -11.433 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.598 1.878 -10.956 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.082 1.496 -11.166 1.00 0.00 C ATOM 0 H VAL A 28 -6.427 -0.255 -12.728 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.303 1.518 -13.428 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.598 -0.006 -10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.747 2.104 -9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.621 1.414 -11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.646 2.801 -11.534 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.182 1.729 -10.106 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.217 2.405 -11.752 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.840 0.766 -11.450 1.00 0.00 H new ATOM 403 N LYS A 29 -2.166 0.249 -13.354 1.00 0.00 N ATOM 404 CA LYS A 29 -0.957 -0.514 -13.611 1.00 0.00 C ATOM 405 C LYS A 29 0.038 -0.285 -12.472 1.00 0.00 C ATOM 406 O LYS A 29 0.131 0.819 -11.938 1.00 0.00 O ATOM 407 CB LYS A 29 -0.396 -0.180 -14.995 1.00 0.00 C ATOM 408 CG LYS A 29 1.092 -0.523 -15.081 1.00 0.00 C ATOM 409 CD LYS A 29 1.306 -2.038 -15.081 1.00 0.00 C ATOM 410 CE LYS A 29 2.688 -2.397 -14.531 1.00 0.00 C ATOM 411 NZ LYS A 29 3.249 -3.559 -15.256 1.00 0.00 N ATOM 0 H LYS A 29 -2.034 1.260 -13.325 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.178 -1.581 -13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.945 -0.733 -15.757 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.541 0.880 -15.204 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.516 -0.092 -15.988 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.621 -0.077 -14.239 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.535 -2.518 -14.478 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.203 -2.423 -16.095 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.358 -1.542 -14.628 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.615 -2.625 -13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.187 -3.789 -14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.617 -4.377 -15.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.337 -3.328 -16.266 1.00 0.00 H new ATOM 425 N LYS A 30 0.756 -1.345 -12.134 1.00 0.00 N ATOM 426 CA LYS A 30 1.741 -1.273 -11.068 1.00 0.00 C ATOM 427 C LYS A 30 2.508 0.047 -11.176 1.00 0.00 C ATOM 428 O LYS A 30 2.553 0.822 -10.222 1.00 0.00 O ATOM 429 CB LYS A 30 2.641 -2.510 -11.086 1.00 0.00 C ATOM 430 CG LYS A 30 3.051 -2.910 -9.667 1.00 0.00 C ATOM 431 CD LYS A 30 3.086 -4.432 -9.515 1.00 0.00 C ATOM 432 CE LYS A 30 4.443 -4.899 -8.983 1.00 0.00 C ATOM 433 NZ LYS A 30 5.484 -4.763 -10.026 1.00 0.00 N ATOM 0 H LYS A 30 0.676 -2.259 -12.579 1.00 0.00 H new ATOM 0 HA LYS A 30 1.250 -1.278 -10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.118 -3.338 -11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.531 -2.308 -11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.033 -2.495 -9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.350 -2.485 -8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.296 -4.751 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.888 -4.902 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.719 -4.311 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.376 -5.938 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.204 -5.503 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.049 -4.863 -10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.932 -3.827 -9.950 1.00 0.00 H new ATOM 447 N SER A 31 3.091 0.261 -12.346 1.00 0.00 N ATOM 448 CA SER A 31 3.853 1.474 -12.591 1.00 0.00 C ATOM 449 C SER A 31 3.071 2.692 -12.096 1.00 0.00 C ATOM 450 O SER A 31 3.655 3.633 -11.559 1.00 0.00 O ATOM 451 CB SER A 31 4.185 1.625 -14.077 1.00 0.00 C ATOM 452 OG SER A 31 5.454 1.061 -14.400 1.00 0.00 O ATOM 0 H SER A 31 3.051 -0.385 -13.135 1.00 0.00 H new ATOM 0 HA SER A 31 4.792 1.405 -12.042 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.411 1.141 -14.673 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.179 2.682 -14.344 1.00 0.00 H new ATOM 0 HG SER A 31 5.629 1.176 -15.357 1.00 0.00 H new ATOM 458 N ASP A 32 1.762 2.636 -12.295 1.00 0.00 N ATOM 459 CA ASP A 32 0.894 3.724 -11.875 1.00 0.00 C ATOM 460 C ASP A 32 0.912 3.825 -10.349 1.00 0.00 C ATOM 461 O ASP A 32 0.844 4.921 -9.795 1.00 0.00 O ATOM 462 CB ASP A 32 -0.550 3.477 -12.316 1.00 0.00 C ATOM 463 CG ASP A 32 -0.722 3.111 -13.792 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.311 3.090 -14.495 1.00 0.00 O ATOM 465 OD2 ASP A 32 -1.883 2.860 -14.182 1.00 0.00 O ATOM 0 H ASP A 32 1.281 1.855 -12.741 1.00 0.00 H new ATOM 0 HA ASP A 32 1.259 4.643 -12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.968 2.675 -11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.136 4.373 -12.109 1.00 0.00 H new ATOM 470 N VAL A 33 1.004 2.666 -9.712 1.00 0.00 N ATOM 471 CA VAL A 33 1.032 2.611 -8.260 1.00 0.00 C ATOM 472 C VAL A 33 2.469 2.803 -7.774 1.00 0.00 C ATOM 473 O VAL A 33 2.696 3.153 -6.617 1.00 0.00 O ATOM 474 CB VAL A 33 0.406 1.301 -7.775 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.321 1.267 -6.248 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.971 1.085 -8.406 1.00 0.00 C ATOM 0 H VAL A 33 1.060 1.759 -10.175 1.00 0.00 H new ATOM 0 HA VAL A 33 0.436 3.418 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 33 1.052 0.483 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.127 0.326 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.322 1.353 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.293 2.098 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.394 0.147 -8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.630 1.909 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.872 1.044 -9.491 1.00 0.00 H new ATOM 486 N GLU A 34 3.404 2.564 -8.682 1.00 0.00 N ATOM 487 CA GLU A 34 4.814 2.706 -8.360 1.00 0.00 C ATOM 488 C GLU A 34 5.284 4.133 -8.652 1.00 0.00 C ATOM 489 O GLU A 34 6.254 4.604 -8.060 1.00 0.00 O ATOM 490 CB GLU A 34 5.657 1.684 -9.125 1.00 0.00 C ATOM 491 CG GLU A 34 5.940 0.452 -8.264 1.00 0.00 C ATOM 492 CD GLU A 34 6.869 -0.523 -8.990 1.00 0.00 C ATOM 493 OE1 GLU A 34 8.049 -0.153 -9.172 1.00 0.00 O ATOM 494 OE2 GLU A 34 6.379 -1.617 -9.345 1.00 0.00 O ATOM 0 H GLU A 34 3.213 2.273 -9.641 1.00 0.00 H new ATOM 0 HA GLU A 34 4.945 2.512 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.135 1.385 -10.034 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.598 2.141 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.394 0.759 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.003 -0.048 -8.019 1.00 0.00 H new ATOM 501 N ALA A 35 4.574 4.780 -9.565 1.00 0.00 N ATOM 502 CA ALA A 35 4.906 6.144 -9.942 1.00 0.00 C ATOM 503 C ALA A 35 4.146 7.118 -9.040 1.00 0.00 C ATOM 504 O ALA A 35 4.728 8.066 -8.515 1.00 0.00 O ATOM 505 CB ALA A 35 4.591 6.354 -11.424 1.00 0.00 C ATOM 0 H ALA A 35 3.771 4.385 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 35 5.971 6.332 -9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.840 7.377 -11.707 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.179 5.658 -12.023 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.530 6.177 -11.599 1.00 0.00 H new ATOM 511 N ILE A 36 2.857 6.850 -8.888 1.00 0.00 N ATOM 512 CA ILE A 36 2.012 7.691 -8.058 1.00 0.00 C ATOM 513 C ILE A 36 2.551 7.696 -6.627 1.00 0.00 C ATOM 514 O ILE A 36 2.408 8.685 -5.909 1.00 0.00 O ATOM 515 CB ILE A 36 0.550 7.251 -8.163 1.00 0.00 C ATOM 516 CG1 ILE A 36 0.022 7.438 -9.587 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.316 7.974 -7.130 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.229 6.588 -9.823 1.00 0.00 C ATOM 0 H ILE A 36 2.378 6.063 -9.325 1.00 0.00 H new ATOM 0 HA ILE A 36 2.037 8.722 -8.411 1.00 0.00 H new ATOM 0 HB ILE A 36 0.497 6.186 -7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.210 8.489 -9.758 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.795 7.162 -10.305 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.350 7.643 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.046 7.746 -6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.262 9.049 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.584 6.739 -10.842 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.987 5.536 -9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.008 6.883 -9.120 1.00 0.00 H new ATOM 530 N PHE A 37 3.161 6.580 -6.254 1.00 0.00 N ATOM 531 CA PHE A 37 3.723 6.443 -4.921 1.00 0.00 C ATOM 532 C PHE A 37 5.195 6.858 -4.902 1.00 0.00 C ATOM 533 O PHE A 37 5.772 7.063 -3.835 1.00 0.00 O ATOM 534 CB PHE A 37 3.616 4.965 -4.541 1.00 0.00 C ATOM 535 CG PHE A 37 2.191 4.503 -4.233 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.217 4.629 -5.174 1.00 0.00 C ATOM 537 CD2 PHE A 37 1.897 3.965 -3.019 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.107 4.201 -4.888 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.574 3.536 -2.733 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.400 3.663 -3.674 1.00 0.00 C ATOM 0 H PHE A 37 3.278 5.762 -6.852 1.00 0.00 H new ATOM 0 HA PHE A 37 3.184 7.083 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.014 4.361 -5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.244 4.778 -3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.450 5.055 -6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.670 3.864 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.881 4.303 -5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.341 3.109 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.406 3.336 -3.457 1.00 0.00 H new ATOM 550 N SER A 38 5.762 6.969 -6.095 1.00 0.00 N ATOM 551 CA SER A 38 7.156 7.355 -6.228 1.00 0.00 C ATOM 552 C SER A 38 7.342 8.807 -5.782 1.00 0.00 C ATOM 553 O SER A 38 8.469 9.271 -5.621 1.00 0.00 O ATOM 554 CB SER A 38 7.642 7.176 -7.668 1.00 0.00 C ATOM 555 OG SER A 38 8.730 8.043 -7.976 1.00 0.00 O ATOM 0 H SER A 38 5.281 6.798 -6.978 1.00 0.00 H new ATOM 0 HA SER A 38 7.753 6.706 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.948 6.141 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.818 7.370 -8.355 1.00 0.00 H new ATOM 0 HG SER A 38 9.136 8.366 -7.145 1.00 0.00 H new ATOM 561 N LYS A 39 6.218 9.483 -5.595 1.00 0.00 N ATOM 562 CA LYS A 39 6.242 10.873 -5.171 1.00 0.00 C ATOM 563 C LYS A 39 6.309 10.934 -3.643 1.00 0.00 C ATOM 564 O LYS A 39 6.825 11.898 -3.079 1.00 0.00 O ATOM 565 CB LYS A 39 5.057 11.636 -5.765 1.00 0.00 C ATOM 566 CG LYS A 39 4.957 11.403 -7.274 1.00 0.00 C ATOM 567 CD LYS A 39 3.502 11.208 -7.704 1.00 0.00 C ATOM 568 CE LYS A 39 2.628 12.370 -7.227 1.00 0.00 C ATOM 569 NZ LYS A 39 3.237 13.665 -7.605 1.00 0.00 N ATOM 0 H LYS A 39 5.285 9.094 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 39 7.134 11.371 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.134 11.315 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.168 12.702 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.386 12.252 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.542 10.526 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.448 11.129 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.121 10.271 -7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.633 12.288 -7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.506 12.321 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.510 14.408 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.991 13.904 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.639 13.593 -8.561 1.00 0.00 H new ATOM 583 N TYR A 40 5.781 9.892 -3.018 1.00 0.00 N ATOM 584 CA TYR A 40 5.774 9.816 -1.567 1.00 0.00 C ATOM 585 C TYR A 40 7.029 9.109 -1.049 1.00 0.00 C ATOM 586 O TYR A 40 7.046 8.614 0.077 1.00 0.00 O ATOM 587 CB TYR A 40 4.545 8.984 -1.194 1.00 0.00 C ATOM 588 CG TYR A 40 3.213 9.691 -1.455 1.00 0.00 C ATOM 589 CD1 TYR A 40 2.967 10.928 -0.897 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.258 9.090 -2.250 1.00 0.00 C ATOM 591 CE1 TYR A 40 1.714 11.593 -1.143 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.004 9.755 -2.496 1.00 0.00 C ATOM 593 CZ TYR A 40 0.794 10.974 -1.930 1.00 0.00 C ATOM 594 OH TYR A 40 -0.390 11.602 -2.162 1.00 0.00 O ATOM 0 H TYR A 40 5.355 9.094 -3.489 1.00 0.00 H new ATOM 0 HA TYR A 40 5.751 10.815 -1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.566 8.051 -1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.604 8.720 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.715 11.398 -0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.451 8.122 -2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.509 12.562 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.248 9.296 -3.116 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.949 11.043 -2.742 1.00 0.00 H new ATOM 604 N GLY A 41 8.047 9.086 -1.896 1.00 0.00 N ATOM 605 CA GLY A 41 9.303 8.449 -1.538 1.00 0.00 C ATOM 606 C GLY A 41 9.741 7.456 -2.616 1.00 0.00 C ATOM 607 O GLY A 41 9.036 7.256 -3.604 1.00 0.00 O ATOM 0 H GLY A 41 8.028 9.498 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.074 9.208 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.194 7.932 -0.585 1.00 0.00 H new ATOM 611 N LYS A 42 10.902 6.859 -2.390 1.00 0.00 N ATOM 612 CA LYS A 42 11.442 5.891 -3.330 1.00 0.00 C ATOM 613 C LYS A 42 10.932 4.495 -2.967 1.00 0.00 C ATOM 614 O LYS A 42 10.955 4.106 -1.800 1.00 0.00 O ATOM 615 CB LYS A 42 12.967 5.993 -3.387 1.00 0.00 C ATOM 616 CG LYS A 42 13.536 5.098 -4.489 1.00 0.00 C ATOM 617 CD LYS A 42 14.862 5.651 -5.016 1.00 0.00 C ATOM 618 CE LYS A 42 16.014 4.690 -4.717 1.00 0.00 C ATOM 619 NZ LYS A 42 17.287 5.226 -5.247 1.00 0.00 N ATOM 0 H LYS A 42 11.484 7.027 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 42 11.093 6.105 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.259 7.028 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.390 5.705 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.687 4.090 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.819 5.022 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.790 5.815 -6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.064 6.620 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.097 4.536 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.809 3.717 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.058 4.561 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.210 5.350 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.489 6.144 -4.802 1.00 0.00 H new ATOM 633 N ILE A 43 10.484 3.780 -3.988 1.00 0.00 N ATOM 634 CA ILE A 43 9.970 2.435 -3.792 1.00 0.00 C ATOM 635 C ILE A 43 11.106 1.427 -3.975 1.00 0.00 C ATOM 636 O ILE A 43 11.918 1.561 -4.889 1.00 0.00 O ATOM 637 CB ILE A 43 8.769 2.182 -4.706 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.645 3.180 -4.424 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.291 0.733 -4.593 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.543 3.079 -5.481 1.00 0.00 C ATOM 0 H ILE A 43 10.466 4.107 -4.954 1.00 0.00 H new ATOM 0 HA ILE A 43 9.598 2.314 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 43 9.086 2.338 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.225 2.990 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.048 4.193 -4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.437 0.579 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.098 0.060 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.997 0.526 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.756 3.799 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.961 3.293 -6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.125 2.072 -5.476 1.00 0.00 H new ATOM 652 N VAL A 44 11.127 0.440 -3.091 1.00 0.00 N ATOM 653 CA VAL A 44 12.150 -0.590 -3.143 1.00 0.00 C ATOM 654 C VAL A 44 11.515 -1.912 -3.577 1.00 0.00 C ATOM 655 O VAL A 44 12.186 -2.771 -4.147 1.00 0.00 O ATOM 656 CB VAL A 44 12.867 -0.685 -1.795 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.387 0.684 -1.353 1.00 0.00 C ATOM 658 CG2 VAL A 44 11.954 -1.295 -0.730 1.00 0.00 C ATOM 0 H VAL A 44 10.451 0.332 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 44 12.910 -0.336 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 44 13.725 -1.345 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.892 0.588 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.089 1.064 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.551 1.377 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.488 -1.351 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.067 -0.672 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.655 -2.297 -1.038 1.00 0.00 H new ATOM 668 N GLY A 45 10.227 -2.035 -3.291 1.00 0.00 N ATOM 669 CA GLY A 45 9.493 -3.238 -3.644 1.00 0.00 C ATOM 670 C GLY A 45 7.985 -2.981 -3.643 1.00 0.00 C ATOM 671 O GLY A 45 7.406 -2.665 -2.605 1.00 0.00 O ATOM 0 H GLY A 45 9.673 -1.321 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.806 -3.583 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.730 -4.033 -2.938 1.00 0.00 H new ATOM 675 N CYS A 46 7.392 -3.125 -4.819 1.00 0.00 N ATOM 676 CA CYS A 46 5.962 -2.912 -4.968 1.00 0.00 C ATOM 677 C CYS A 46 5.353 -4.164 -5.602 1.00 0.00 C ATOM 678 O CYS A 46 6.012 -4.854 -6.379 1.00 0.00 O ATOM 679 CB CYS A 46 5.659 -1.654 -5.784 1.00 0.00 C ATOM 680 SG CYS A 46 3.886 -1.611 -6.234 1.00 0.00 S ATOM 0 H CYS A 46 7.876 -3.387 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 46 5.513 -2.747 -3.989 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.918 -0.766 -5.208 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.272 -1.639 -6.685 1.00 0.00 H new ATOM 0 HG CYS A 46 3.492 -0.376 -6.329 1.00 0.00 H new ATOM 686 N SER A 47 4.102 -4.419 -5.247 1.00 0.00 N ATOM 687 CA SER A 47 3.397 -5.576 -5.772 1.00 0.00 C ATOM 688 C SER A 47 1.908 -5.257 -5.923 1.00 0.00 C ATOM 689 O SER A 47 1.343 -4.519 -5.117 1.00 0.00 O ATOM 690 CB SER A 47 3.590 -6.795 -4.868 1.00 0.00 C ATOM 691 OG SER A 47 4.734 -6.662 -4.029 1.00 0.00 O ATOM 0 H SER A 47 3.559 -3.844 -4.603 1.00 0.00 H new ATOM 0 HA SER A 47 3.812 -5.815 -6.751 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.702 -6.933 -4.251 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.693 -7.689 -5.483 1.00 0.00 H new ATOM 0 HG SER A 47 4.822 -7.460 -3.466 1.00 0.00 H new ATOM 697 N VAL A 48 1.315 -5.829 -6.960 1.00 0.00 N ATOM 698 CA VAL A 48 -0.097 -5.615 -7.227 1.00 0.00 C ATOM 699 C VAL A 48 -0.788 -6.968 -7.409 1.00 0.00 C ATOM 700 O VAL A 48 -0.382 -7.768 -8.250 1.00 0.00 O ATOM 701 CB VAL A 48 -0.268 -4.690 -8.433 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.713 -4.703 -8.934 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.184 -3.266 -8.100 1.00 0.00 C ATOM 0 H VAL A 48 1.787 -6.441 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.574 -5.117 -6.383 1.00 0.00 H new ATOM 0 HB VAL A 48 0.368 -5.065 -9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.807 -4.037 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.987 -5.716 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.377 -4.365 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.052 -2.629 -8.974 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.413 -2.878 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.236 -3.276 -7.813 1.00 0.00 H new ATOM 713 N HIS A 49 -1.821 -7.182 -6.607 1.00 0.00 N ATOM 714 CA HIS A 49 -2.572 -8.424 -6.669 1.00 0.00 C ATOM 715 C HIS A 49 -4.021 -8.129 -7.060 1.00 0.00 C ATOM 716 O HIS A 49 -4.542 -7.055 -6.763 1.00 0.00 O ATOM 717 CB HIS A 49 -2.459 -9.194 -5.351 1.00 0.00 C ATOM 718 CG HIS A 49 -1.068 -9.207 -4.765 1.00 0.00 C ATOM 719 ND1 HIS A 49 -0.065 -10.039 -5.231 1.00 0.00 N ATOM 720 CD2 HIS A 49 -0.523 -8.480 -3.747 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.029 -9.816 -4.518 1.00 0.00 C ATOM 722 NE2 HIS A 49 0.743 -8.850 -3.598 1.00 0.00 N ATOM 0 H HIS A 49 -2.155 -6.516 -5.911 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.149 -9.070 -7.438 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.144 -8.755 -4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.783 -10.222 -5.514 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.035 -7.731 -3.162 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.980 -10.312 -4.643 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.395 -8.474 -2.909 1.00 0.00 H new ATOM 730 N LYS A 50 -4.631 -9.101 -7.723 1.00 0.00 N ATOM 731 CA LYS A 50 -6.010 -8.958 -8.158 1.00 0.00 C ATOM 732 C LYS A 50 -6.912 -8.790 -6.934 1.00 0.00 C ATOM 733 O LYS A 50 -7.527 -9.751 -6.475 1.00 0.00 O ATOM 734 CB LYS A 50 -6.410 -10.127 -9.061 1.00 0.00 C ATOM 735 CG LYS A 50 -7.388 -9.672 -10.146 1.00 0.00 C ATOM 736 CD LYS A 50 -8.806 -10.163 -9.847 1.00 0.00 C ATOM 737 CE LYS A 50 -9.771 -9.769 -10.967 1.00 0.00 C ATOM 738 NZ LYS A 50 -11.173 -9.897 -10.513 1.00 0.00 N ATOM 0 H LYS A 50 -4.196 -9.990 -7.969 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.127 -8.061 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.521 -10.554 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.867 -10.914 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.383 -8.584 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.064 -10.052 -11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.802 -11.247 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.149 -9.742 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.576 -8.743 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.605 -10.404 -11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.814 -9.626 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.360 -10.882 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.332 -9.273 -9.696 1.00 0.00 H new ATOM 752 N GLY A 51 -6.963 -7.561 -6.441 1.00 0.00 N ATOM 753 CA GLY A 51 -7.780 -7.255 -5.279 1.00 0.00 C ATOM 754 C GLY A 51 -7.113 -6.191 -4.405 1.00 0.00 C ATOM 755 O GLY A 51 -7.784 -5.501 -3.639 1.00 0.00 O ATOM 0 H GLY A 51 -6.452 -6.766 -6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.760 -6.904 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.942 -8.161 -4.695 1.00 0.00 H new ATOM 759 N PHE A 52 -5.799 -6.092 -4.548 1.00 0.00 N ATOM 760 CA PHE A 52 -5.033 -5.125 -3.781 1.00 0.00 C ATOM 761 C PHE A 52 -3.594 -5.034 -4.292 1.00 0.00 C ATOM 762 O PHE A 52 -3.264 -5.606 -5.331 1.00 0.00 O ATOM 763 CB PHE A 52 -5.017 -5.615 -2.331 1.00 0.00 C ATOM 764 CG PHE A 52 -4.906 -7.135 -2.190 1.00 0.00 C ATOM 765 CD1 PHE A 52 -3.683 -7.727 -2.149 1.00 0.00 C ATOM 766 CD2 PHE A 52 -6.032 -7.894 -2.105 1.00 0.00 C ATOM 767 CE1 PHE A 52 -3.580 -9.137 -2.018 1.00 0.00 C ATOM 768 CE2 PHE A 52 -5.929 -9.304 -1.974 1.00 0.00 C ATOM 769 CZ PHE A 52 -4.705 -9.896 -1.933 1.00 0.00 C ATOM 0 H PHE A 52 -5.246 -6.666 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.485 -4.137 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.180 -5.150 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.928 -5.280 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.789 -7.124 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.004 -7.424 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.608 -9.607 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.823 -9.907 -1.907 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.627 -10.969 -1.833 1.00 0.00 H new ATOM 779 N ALA A 53 -2.777 -4.312 -3.540 1.00 0.00 N ATOM 780 CA ALA A 53 -1.381 -4.140 -3.905 1.00 0.00 C ATOM 781 C ALA A 53 -0.580 -3.740 -2.664 1.00 0.00 C ATOM 782 O ALA A 53 -1.156 -3.376 -1.640 1.00 0.00 O ATOM 783 CB ALA A 53 -1.270 -3.107 -5.028 1.00 0.00 C ATOM 0 H ALA A 53 -3.055 -3.839 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.964 -5.075 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.223 -2.978 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.832 -3.451 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.676 -2.154 -4.688 1.00 0.00 H new ATOM 789 N PHE A 54 0.736 -3.822 -2.797 1.00 0.00 N ATOM 790 CA PHE A 54 1.622 -3.473 -1.699 1.00 0.00 C ATOM 791 C PHE A 54 2.836 -2.690 -2.202 1.00 0.00 C ATOM 792 O PHE A 54 3.444 -3.058 -3.206 1.00 0.00 O ATOM 793 CB PHE A 54 2.099 -4.786 -1.075 1.00 0.00 C ATOM 794 CG PHE A 54 1.261 -5.248 0.118 1.00 0.00 C ATOM 795 CD1 PHE A 54 0.022 -5.771 -0.083 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.756 -5.137 1.380 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.756 -6.200 1.025 1.00 0.00 C ATOM 798 CE2 PHE A 54 0.978 -5.566 2.488 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.262 -6.089 2.287 1.00 0.00 C ATOM 0 H PHE A 54 1.210 -4.125 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 54 1.094 -2.848 -0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.087 -5.564 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.134 -4.669 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.370 -5.860 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.741 -4.723 1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.740 -6.615 0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.371 -5.477 3.490 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.854 -6.416 3.129 1.00 0.00 H new ATOM 809 N VAL A 55 3.153 -1.625 -1.481 1.00 0.00 N ATOM 810 CA VAL A 55 4.284 -0.787 -1.842 1.00 0.00 C ATOM 811 C VAL A 55 5.284 -0.761 -0.684 1.00 0.00 C ATOM 812 O VAL A 55 4.890 -0.723 0.481 1.00 0.00 O ATOM 813 CB VAL A 55 3.796 0.607 -2.241 1.00 0.00 C ATOM 814 CG1 VAL A 55 4.975 1.554 -2.479 1.00 0.00 C ATOM 815 CG2 VAL A 55 2.890 0.539 -3.472 1.00 0.00 C ATOM 0 H VAL A 55 2.647 -1.323 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 55 4.801 -1.197 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 55 3.208 1.006 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.600 2.538 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.564 1.638 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.601 1.161 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.557 1.543 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.443 0.110 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.024 -0.085 -3.252 1.00 0.00 H new ATOM 825 N GLN A 56 6.559 -0.783 -1.044 1.00 0.00 N ATOM 826 CA GLN A 56 7.618 -0.763 -0.050 1.00 0.00 C ATOM 827 C GLN A 56 8.590 0.385 -0.333 1.00 0.00 C ATOM 828 O GLN A 56 9.352 0.334 -1.298 1.00 0.00 O ATOM 829 CB GLN A 56 8.352 -2.104 -0.004 1.00 0.00 C ATOM 830 CG GLN A 56 9.413 -2.111 1.099 1.00 0.00 C ATOM 831 CD GLN A 56 9.015 -3.056 2.236 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.216 -3.962 2.073 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.617 -2.793 3.392 1.00 0.00 N ATOM 0 H GLN A 56 6.882 -0.814 -2.011 1.00 0.00 H new ATOM 0 HA GLN A 56 7.168 -0.599 0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.637 -2.908 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.823 -2.298 -0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.372 -2.419 0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.544 -1.102 1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.276 -2.018 3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.419 -3.367 4.212 1.00 0.00 H new ATOM 842 N TYR A 57 8.532 1.392 0.525 1.00 0.00 N ATOM 843 CA TYR A 57 9.398 2.550 0.379 1.00 0.00 C ATOM 844 C TYR A 57 10.756 2.307 1.041 1.00 0.00 C ATOM 845 O TYR A 57 10.932 1.324 1.760 1.00 0.00 O ATOM 846 CB TYR A 57 8.691 3.699 1.101 1.00 0.00 C ATOM 847 CG TYR A 57 7.412 4.176 0.409 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.222 3.511 0.625 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.449 5.270 -0.430 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.019 3.959 -0.026 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.245 5.719 -1.082 1.00 0.00 C ATOM 852 CZ TYR A 57 5.090 5.041 -0.847 1.00 0.00 C ATOM 853 OH TYR A 57 3.953 5.465 -1.463 1.00 0.00 O ATOM 0 H TYR A 57 7.899 1.431 1.324 1.00 0.00 H new ATOM 0 HA TYR A 57 9.577 2.765 -0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.447 3.382 2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.380 4.539 1.187 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.194 2.655 1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.380 5.790 -0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.081 3.448 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.260 6.574 -1.742 1.00 0.00 H new ATOM 0 HH TYR A 57 4.186 6.055 -2.210 1.00 0.00 H new ATOM 863 N VAL A 58 11.680 3.218 0.774 1.00 0.00 N ATOM 864 CA VAL A 58 13.016 3.114 1.335 1.00 0.00 C ATOM 865 C VAL A 58 12.952 3.355 2.845 1.00 0.00 C ATOM 866 O VAL A 58 13.720 2.767 3.604 1.00 0.00 O ATOM 867 CB VAL A 58 13.962 4.078 0.616 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.108 4.509 1.534 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.497 3.459 -0.677 1.00 0.00 C ATOM 0 H VAL A 58 11.530 4.031 0.177 1.00 0.00 H new ATOM 0 HA VAL A 58 13.416 2.112 1.183 1.00 0.00 H new ATOM 0 HB VAL A 58 13.394 4.969 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.765 5.194 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.702 5.009 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.674 3.631 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.167 4.165 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.042 2.544 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.664 3.227 -1.341 1.00 0.00 H new ATOM 879 N ASN A 59 12.028 4.221 3.234 1.00 0.00 N ATOM 880 CA ASN A 59 11.853 4.547 4.639 1.00 0.00 C ATOM 881 C ASN A 59 10.360 4.561 4.973 1.00 0.00 C ATOM 882 O ASN A 59 9.522 4.679 4.081 1.00 0.00 O ATOM 883 CB ASN A 59 12.421 5.931 4.959 1.00 0.00 C ATOM 884 CG ASN A 59 13.825 6.096 4.372 1.00 0.00 C ATOM 885 OD1 ASN A 59 14.717 5.295 4.596 1.00 0.00 O ATOM 886 ND2 ASN A 59 13.970 7.178 3.612 1.00 0.00 N ATOM 0 H ASN A 59 11.393 4.707 2.601 1.00 0.00 H new ATOM 0 HA ASN A 59 12.380 3.796 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.762 6.700 4.557 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.455 6.073 6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.870 7.378 3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.181 7.808 3.466 1.00 0.00 H new ATOM 893 N GLU A 60 10.073 4.439 6.261 1.00 0.00 N ATOM 894 CA GLU A 60 8.695 4.435 6.723 1.00 0.00 C ATOM 895 C GLU A 60 8.080 5.828 6.568 1.00 0.00 C ATOM 896 O GLU A 60 6.997 5.972 6.004 1.00 0.00 O ATOM 897 CB GLU A 60 8.605 3.954 8.173 1.00 0.00 C ATOM 898 CG GLU A 60 7.186 3.493 8.510 1.00 0.00 C ATOM 899 CD GLU A 60 7.090 3.034 9.966 1.00 0.00 C ATOM 900 OE1 GLU A 60 8.135 2.596 10.493 1.00 0.00 O ATOM 901 OE2 GLU A 60 5.973 3.130 10.520 1.00 0.00 O ATOM 0 H GLU A 60 10.771 4.342 6.999 1.00 0.00 H new ATOM 0 HA GLU A 60 8.127 3.738 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.305 3.134 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.899 4.759 8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.484 4.308 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.898 2.676 7.848 1.00 0.00 H new ATOM 908 N ARG A 61 8.798 6.817 7.080 1.00 0.00 N ATOM 909 CA ARG A 61 8.336 8.193 7.006 1.00 0.00 C ATOM 910 C ARG A 61 7.644 8.449 5.665 1.00 0.00 C ATOM 911 O ARG A 61 6.558 9.024 5.623 1.00 0.00 O ATOM 912 CB ARG A 61 9.499 9.174 7.168 1.00 0.00 C ATOM 913 CG ARG A 61 9.002 10.621 7.144 1.00 0.00 C ATOM 914 CD ARG A 61 10.117 11.575 6.710 1.00 0.00 C ATOM 915 NE ARG A 61 9.912 12.905 7.326 1.00 0.00 N ATOM 916 CZ ARG A 61 10.157 13.182 8.614 1.00 0.00 C ATOM 917 NH1 ARG A 61 10.617 12.224 9.430 1.00 0.00 N ATOM 918 NH2 ARG A 61 9.942 14.418 9.087 1.00 0.00 N ATOM 0 H ARG A 61 9.696 6.693 7.548 1.00 0.00 H new ATOM 0 HA ARG A 61 7.628 8.350 7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.016 8.979 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.223 9.021 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.157 10.708 6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.642 10.902 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.086 11.173 7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.127 11.666 5.624 1.00 0.00 H new ATOM 0 HE ARG A 61 9.562 13.658 6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.781 11.283 9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.803 12.435 10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.592 15.148 8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.129 14.628 10.067 1.00 0.00 H new ATOM 932 N ASN A 62 8.303 8.009 4.603 1.00 0.00 N ATOM 933 CA ASN A 62 7.765 8.183 3.264 1.00 0.00 C ATOM 934 C ASN A 62 6.517 7.313 3.103 1.00 0.00 C ATOM 935 O ASN A 62 5.489 7.780 2.616 1.00 0.00 O ATOM 936 CB ASN A 62 8.780 7.755 2.203 1.00 0.00 C ATOM 937 CG ASN A 62 9.592 8.953 1.706 1.00 0.00 C ATOM 938 OD1 ASN A 62 10.810 8.981 1.771 1.00 0.00 O ATOM 939 ND2 ASN A 62 8.852 9.939 1.208 1.00 0.00 N ATOM 0 H ASN A 62 9.204 7.533 4.642 1.00 0.00 H new ATOM 0 HA ASN A 62 7.527 9.238 3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.451 7.004 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.261 7.290 1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.300 10.783 0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.836 9.852 1.183 1.00 0.00 H new ATOM 946 N ALA A 63 6.649 6.062 3.521 1.00 0.00 N ATOM 947 CA ALA A 63 5.545 5.122 3.429 1.00 0.00 C ATOM 948 C ALA A 63 4.285 5.763 4.015 1.00 0.00 C ATOM 949 O ALA A 63 3.318 6.008 3.297 1.00 0.00 O ATOM 950 CB ALA A 63 5.922 3.821 4.140 1.00 0.00 C ATOM 0 H ALA A 63 7.504 5.678 3.924 1.00 0.00 H new ATOM 0 HA ALA A 63 5.336 4.876 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.094 3.116 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.805 3.391 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.136 4.028 5.189 1.00 0.00 H new ATOM 956 N ARG A 64 4.338 6.016 5.315 1.00 0.00 N ATOM 957 CA ARG A 64 3.213 6.623 6.005 1.00 0.00 C ATOM 958 C ARG A 64 2.684 7.817 5.209 1.00 0.00 C ATOM 959 O ARG A 64 1.477 8.055 5.168 1.00 0.00 O ATOM 960 CB ARG A 64 3.614 7.090 7.406 1.00 0.00 C ATOM 961 CG ARG A 64 2.492 7.903 8.055 1.00 0.00 C ATOM 962 CD ARG A 64 2.913 8.417 9.433 1.00 0.00 C ATOM 963 NE ARG A 64 1.956 9.442 9.905 1.00 0.00 N ATOM 964 CZ ARG A 64 0.757 9.163 10.436 1.00 0.00 C ATOM 965 NH1 ARG A 64 0.362 7.889 10.564 1.00 0.00 N ATOM 966 NH2 ARG A 64 -0.046 10.157 10.837 1.00 0.00 N ATOM 0 H ARG A 64 5.142 5.812 5.908 1.00 0.00 H new ATOM 0 HA ARG A 64 2.432 5.868 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.849 6.226 8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.519 7.695 7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.230 8.745 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.599 7.285 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.952 7.590 10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.916 8.840 9.381 1.00 0.00 H new ATOM 0 HE ARG A 64 2.225 10.422 9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.973 7.132 10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.550 7.676 10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.255 11.127 10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.958 9.944 11.241 1.00 0.00 H new ATOM 980 N ALA A 65 3.612 8.538 4.597 1.00 0.00 N ATOM 981 CA ALA A 65 3.253 9.702 3.804 1.00 0.00 C ATOM 982 C ALA A 65 2.186 9.308 2.781 1.00 0.00 C ATOM 983 O ALA A 65 1.080 9.846 2.794 1.00 0.00 O ATOM 984 CB ALA A 65 4.509 10.277 3.145 1.00 0.00 C ATOM 0 H ALA A 65 4.612 8.339 4.634 1.00 0.00 H new ATOM 0 HA ALA A 65 2.830 10.482 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.241 11.150 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.223 10.568 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.959 9.523 2.500 1.00 0.00 H new ATOM 990 N ALA A 66 2.555 8.372 1.919 1.00 0.00 N ATOM 991 CA ALA A 66 1.643 7.900 0.891 1.00 0.00 C ATOM 992 C ALA A 66 0.351 7.409 1.548 1.00 0.00 C ATOM 993 O ALA A 66 -0.742 7.811 1.152 1.00 0.00 O ATOM 994 CB ALA A 66 2.327 6.809 0.063 1.00 0.00 C ATOM 0 H ALA A 66 3.473 7.928 1.911 1.00 0.00 H new ATOM 0 HA ALA A 66 1.380 8.710 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.643 6.455 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.223 7.216 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.603 5.978 0.713 1.00 0.00 H new ATOM 1000 N VAL A 67 0.520 6.548 2.540 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.619 5.998 3.255 1.00 0.00 C ATOM 1002 C VAL A 67 -1.506 7.142 3.749 1.00 0.00 C ATOM 1003 O VAL A 67 -2.695 6.948 4.000 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.137 5.085 4.385 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.196 4.965 5.482 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.253 3.707 3.847 1.00 0.00 C ATOM 0 H VAL A 67 1.428 6.218 2.866 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.224 5.380 2.591 1.00 0.00 H new ATOM 0 HB VAL A 67 0.752 5.537 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.828 4.311 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.405 5.952 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.110 4.547 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.592 3.078 4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.611 3.245 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.056 3.815 3.118 1.00 0.00 H new ATOM 1016 N ALA A 68 -0.895 8.311 3.874 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.614 9.487 4.333 1.00 0.00 C ATOM 1018 C ALA A 68 -2.135 10.266 3.124 1.00 0.00 C ATOM 1019 O ALA A 68 -3.168 10.929 3.206 1.00 0.00 O ATOM 1020 CB ALA A 68 -0.698 10.332 5.220 1.00 0.00 C ATOM 0 H ALA A 68 0.091 8.469 3.665 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.476 9.199 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.238 11.214 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.380 9.743 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.177 10.642 4.649 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.396 10.160 2.029 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.770 10.846 0.804 1.00 0.00 C ATOM 1028 C GLY A 69 -2.596 9.934 -0.105 1.00 0.00 C ATOM 1029 O GLY A 69 -3.806 10.112 -0.236 1.00 0.00 O ATOM 0 H GLY A 69 -0.540 9.609 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.343 11.741 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.873 11.174 0.278 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.908 8.976 -0.710 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.563 8.035 -1.604 1.00 0.00 C ATOM 1035 C GLU A 70 -3.931 7.637 -1.045 1.00 0.00 C ATOM 1036 O GLU A 70 -4.962 7.959 -1.633 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.687 6.803 -1.840 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.199 6.747 -3.289 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.271 6.155 -4.206 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.936 5.196 -3.757 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.402 6.674 -5.335 1.00 0.00 O ATOM 0 H GLU A 70 -0.904 8.831 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.714 8.523 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.831 6.826 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.252 5.900 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.939 7.750 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.292 6.145 -3.348 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.894 6.942 0.082 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.118 6.496 0.726 1.00 0.00 C ATOM 1050 C ASP A 71 -6.174 7.599 0.625 1.00 0.00 C ATOM 1051 O ASP A 71 -6.104 8.598 1.340 1.00 0.00 O ATOM 1052 CB ASP A 71 -4.884 6.200 2.209 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.126 5.752 2.983 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.569 4.610 2.732 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.603 6.560 3.807 1.00 0.00 O ATOM 0 H ASP A 71 -3.036 6.677 0.566 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.451 5.587 0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.122 5.425 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.482 7.095 2.684 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.127 7.382 -0.269 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.196 8.345 -0.473 1.00 0.00 C ATOM 1062 C GLY A 72 -8.126 8.952 -1.875 1.00 0.00 C ATOM 1063 O GLY A 72 -8.709 10.006 -2.129 1.00 0.00 O ATOM 0 H GLY A 72 -7.181 6.553 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.161 7.858 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.125 9.136 0.274 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.408 8.262 -2.749 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.255 8.720 -4.120 1.00 0.00 C ATOM 1069 C ARG A 73 -8.230 7.982 -5.039 1.00 0.00 C ATOM 1070 O ARG A 73 -8.377 6.764 -4.944 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.826 8.497 -4.619 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.364 9.662 -5.496 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.148 9.266 -6.337 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.446 10.478 -6.815 1.00 0.00 N ATOM 1075 CZ ARG A 73 -2.660 10.512 -7.899 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -2.471 9.402 -8.626 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.063 11.657 -8.258 1.00 0.00 N ATOM 0 H ARG A 73 -6.926 7.389 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.472 9.788 -4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.153 8.388 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.776 7.568 -5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.178 9.974 -6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.114 10.517 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.469 8.653 -5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.465 8.660 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.568 11.341 -6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.926 8.531 -8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.872 9.429 -9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.207 12.502 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.464 11.683 -9.083 1.00 0.00 H new ATOM 1091 N MET A 74 -8.872 8.749 -5.907 1.00 0.00 N ATOM 1092 CA MET A 74 -9.829 8.183 -6.842 1.00 0.00 C ATOM 1093 C MET A 74 -9.130 7.685 -8.108 1.00 0.00 C ATOM 1094 O MET A 74 -8.912 8.453 -9.044 1.00 0.00 O ATOM 1095 CB MET A 74 -10.868 9.243 -7.215 1.00 0.00 C ATOM 1096 CG MET A 74 -12.288 8.720 -6.995 1.00 0.00 C ATOM 1097 SD MET A 74 -13.464 10.052 -7.175 1.00 0.00 S ATOM 1098 CE MET A 74 -14.986 9.162 -6.897 1.00 0.00 C ATOM 0 H MET A 74 -8.748 9.759 -5.983 1.00 0.00 H new ATOM 0 HA MET A 74 -10.319 7.335 -6.363 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.710 10.139 -6.615 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.740 9.531 -8.258 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.509 7.930 -7.713 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.373 8.281 -6.001 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.793 9.871 -6.709 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.225 8.566 -7.778 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.871 8.505 -6.035 1.00 0.00 H new ATOM 1108 N ILE A 75 -8.797 6.402 -8.097 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.127 5.793 -9.233 1.00 0.00 C ATOM 1110 C ILE A 75 -9.142 4.989 -10.047 1.00 0.00 C ATOM 1111 O ILE A 75 -9.747 4.048 -9.536 1.00 0.00 O ATOM 1112 CB ILE A 75 -6.923 4.972 -8.767 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.736 5.153 -9.715 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.298 3.499 -8.594 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -4.876 6.347 -9.295 1.00 0.00 C ATOM 0 H ILE A 75 -8.979 5.768 -7.319 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.724 6.560 -9.894 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.614 5.343 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.129 4.247 -9.721 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.098 5.301 -10.732 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.424 2.938 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.090 3.410 -7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.647 3.098 -9.546 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.039 6.453 -9.985 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.479 7.255 -9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.496 6.185 -8.286 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.297 5.388 -11.301 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.228 4.716 -12.191 1.00 0.00 C ATOM 1129 C ALA A 76 -11.651 5.181 -11.878 1.00 0.00 C ATOM 1130 O ALA A 76 -12.613 4.680 -12.459 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.065 3.201 -12.051 1.00 0.00 C ATOM 0 H ALA A 76 -8.793 6.169 -11.722 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.019 4.971 -13.230 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.764 2.697 -12.719 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.045 2.919 -12.313 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.270 2.907 -11.022 1.00 0.00 H new ATOM 1137 N GLY A 77 -11.741 6.133 -10.961 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.031 6.671 -10.564 1.00 0.00 C ATOM 1139 C GLY A 77 -13.492 6.065 -9.237 1.00 0.00 C ATOM 1140 O GLY A 77 -14.620 6.296 -8.805 1.00 0.00 O ATOM 0 H GLY A 77 -10.941 6.546 -10.481 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.964 7.755 -10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.769 6.464 -11.339 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.597 5.302 -8.628 1.00 0.00 N ATOM 1145 CA GLN A 78 -12.898 4.661 -7.360 1.00 0.00 C ATOM 1146 C GLN A 78 -11.808 4.976 -6.334 1.00 0.00 C ATOM 1147 O GLN A 78 -10.641 5.135 -6.691 1.00 0.00 O ATOM 1148 CB GLN A 78 -13.066 3.151 -7.535 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.109 2.836 -8.610 1.00 0.00 C ATOM 1150 CD GLN A 78 -13.531 1.904 -9.677 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -13.549 2.189 -10.863 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -13.019 0.777 -9.191 1.00 0.00 N ATOM 0 H GLN A 78 -11.662 5.113 -8.990 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.843 5.058 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.110 2.704 -7.809 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.368 2.703 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.982 2.372 -8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.448 3.762 -9.075 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.036 0.601 -8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.609 0.089 -9.823 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.226 5.057 -5.079 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.299 5.350 -3.999 1.00 0.00 C ATOM 1163 C VAL A 79 -10.429 4.121 -3.731 1.00 0.00 C ATOM 1164 O VAL A 79 -10.835 2.995 -4.015 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.068 5.819 -2.762 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.109 6.237 -1.646 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -13.031 6.955 -3.113 1.00 0.00 C ATOM 0 H VAL A 79 -13.194 4.925 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.632 6.165 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.660 4.980 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.681 6.566 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.483 5.389 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.478 7.054 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.565 7.270 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.468 7.798 -3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.747 6.608 -3.858 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.248 4.378 -3.188 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.317 3.306 -2.879 1.00 0.00 C ATOM 1179 C LEU A 80 -8.182 3.176 -1.361 1.00 0.00 C ATOM 1180 O LEU A 80 -7.906 4.158 -0.672 1.00 0.00 O ATOM 1181 CB LEU A 80 -6.985 3.529 -3.599 1.00 0.00 C ATOM 1182 CG LEU A 80 -7.047 3.564 -5.127 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.667 3.849 -5.724 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.657 2.275 -5.681 1.00 0.00 C ATOM 0 H LEU A 80 -8.915 5.313 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.696 2.353 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.559 4.470 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.297 2.738 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.702 4.383 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.738 3.869 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.308 4.814 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.971 3.068 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.689 2.326 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.048 1.424 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.669 2.155 -5.293 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.382 1.957 -0.883 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.285 1.686 0.541 1.00 0.00 C ATOM 1198 C ASP A 81 -6.863 1.230 0.874 1.00 0.00 C ATOM 1199 O ASP A 81 -6.513 0.070 0.663 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.248 0.572 0.957 1.00 0.00 C ATOM 1201 CG ASP A 81 -9.324 0.311 2.462 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -9.651 1.274 3.189 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -9.054 -0.845 2.853 1.00 0.00 O ATOM 0 H ASP A 81 -8.611 1.145 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.539 2.601 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.246 0.821 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.950 -0.350 0.458 1.00 0.00 H new ATOM 1208 N ILE A 82 -6.081 2.167 1.389 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.705 1.877 1.754 1.00 0.00 C ATOM 1210 C ILE A 82 -4.538 2.031 3.267 1.00 0.00 C ATOM 1211 O ILE A 82 -5.287 2.770 3.905 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.741 2.740 0.937 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.256 2.938 -0.490 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.327 2.155 0.960 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.243 3.711 -1.336 1.00 0.00 C ATOM 0 H ILE A 82 -6.374 3.128 1.562 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.456 0.844 1.510 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.690 3.725 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.452 1.968 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.203 3.477 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.662 2.787 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.969 2.109 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.342 1.151 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.634 3.838 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.067 4.690 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.305 3.157 -1.377 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.552 1.323 3.797 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.278 1.373 5.223 1.00 0.00 C ATOM 1229 C ASN A 83 -1.892 0.783 5.492 1.00 0.00 C ATOM 1230 O ASN A 83 -1.509 -0.214 4.883 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.302 0.552 6.010 1.00 0.00 C ATOM 1232 CG ASN A 83 -4.220 -0.930 5.636 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -4.138 -1.301 4.477 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -4.248 -1.753 6.680 1.00 0.00 N ATOM 0 H ASN A 83 -2.933 0.712 3.265 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.330 2.414 5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.125 0.671 7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.306 0.927 5.809 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.200 -2.762 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.318 -1.376 7.625 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.178 1.425 6.406 1.00 0.00 N ATOM 1242 CA LEU A 84 0.157 0.977 6.763 1.00 0.00 C ATOM 1243 C LEU A 84 0.077 -0.434 7.349 1.00 0.00 C ATOM 1244 O LEU A 84 -0.687 -0.680 8.281 1.00 0.00 O ATOM 1245 CB LEU A 84 0.832 1.990 7.689 1.00 0.00 C ATOM 1246 CG LEU A 84 1.943 2.835 7.063 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.346 3.985 7.989 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.141 1.966 6.675 1.00 0.00 C ATOM 0 H LEU A 84 -1.499 2.252 6.910 1.00 0.00 H new ATOM 0 HA LEU A 84 0.789 0.919 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.067 2.662 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.248 1.452 8.541 1.00 0.00 H new ATOM 0 HG LEU A 84 1.557 3.280 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.137 4.570 7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.482 4.624 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.706 3.581 8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.916 2.592 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.536 1.473 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.826 1.213 5.952 1.00 0.00 H new ATOM 1260 N ALA A 85 0.875 -1.324 6.778 1.00 0.00 N ATOM 1261 CA ALA A 85 0.904 -2.704 7.232 1.00 0.00 C ATOM 1262 C ALA A 85 1.479 -2.757 8.649 1.00 0.00 C ATOM 1263 O ALA A 85 2.618 -3.176 8.845 1.00 0.00 O ATOM 1264 CB ALA A 85 1.710 -3.550 6.244 1.00 0.00 C ATOM 0 H ALA A 85 1.507 -1.116 6.005 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.104 -3.118 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.732 -4.585 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.245 -3.502 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.729 -3.167 6.183 1.00 0.00 H new ATOM 1270 N ALA A 86 0.663 -2.328 9.601 1.00 0.00 N ATOM 1271 CA ALA A 86 1.075 -2.322 10.994 1.00 0.00 C ATOM 1272 C ALA A 86 -0.165 -2.287 11.889 1.00 0.00 C ATOM 1273 O ALA A 86 -0.425 -3.231 12.633 1.00 0.00 O ATOM 1274 CB ALA A 86 2.009 -1.136 11.245 1.00 0.00 C ATOM 0 H ALA A 86 -0.282 -1.982 9.434 1.00 0.00 H new ATOM 0 HA ALA A 86 1.628 -3.230 11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.318 -1.131 12.290 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.888 -1.224 10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.487 -0.207 11.017 1.00 0.00 H new