USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 525 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 Single : A 19 MET CE :methyl -128:sc= -1.38 (180deg=-2.93!) USER MOD Single : A 20 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.15) USER MOD Single : A 23 MET CE :methyl -176:sc= -1.02 (180deg=-1.04) USER MOD Single : A 26 ASN : amide:sc= -0.0635 K(o=-0.063,f=-0.86) USER MOD Single : A 27 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.2) USER MOD Single : A 33 GLN : amide:sc= -0.036 X(o=-0.036,f=-0.28) USER MOD Single : A 34 TYR OH : rot 121:sc= -5.97! USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0.00157 (180deg=-0.00797) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.29! C(o=-2.2!,f=-1.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.241 K(o=-0.24,f=-1.2) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -116:sc= -3.5! (180deg=-4.95!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -85:sc= 0.372 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.457 F(o=-1.5,f=-0.46) USER MOD Single : A 76 LYS NZ :NH3+ -124:sc= -0.186 (180deg=-1.44) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 81 MET CE :methyl -117:sc= -2.23 (180deg=-4.23!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -10.232 -12.320 -1.620 1.00 0.00 N ATOM 237 CA LEU A 18 -9.901 -11.444 -0.501 1.00 0.00 C ATOM 238 C LEU A 18 -8.428 -11.051 -0.534 1.00 0.00 C ATOM 239 O LEU A 18 -8.087 -9.903 -0.817 1.00 0.00 O ATOM 240 CB LEU A 18 -10.228 -12.132 0.825 1.00 0.00 C ATOM 241 CG LEU A 18 -11.691 -12.521 1.037 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.815 -13.546 2.154 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.532 -11.291 1.344 1.00 0.00 C ATOM 0 HA LEU A 18 -10.501 -10.539 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.619 -13.032 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.927 -11.471 1.638 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.064 -12.970 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.864 -13.811 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.246 -14.439 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.424 -13.124 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.570 -11.588 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.159 -10.812 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.470 -10.591 0.511 1.00 0.00 H new ATOM 255 N MET A 19 -7.558 -12.014 -0.245 1.00 0.00 N ATOM 256 CA MET A 19 -6.120 -11.769 -0.246 1.00 0.00 C ATOM 257 C MET A 19 -5.693 -11.036 -1.513 1.00 0.00 C ATOM 258 O MET A 19 -4.625 -10.429 -1.560 1.00 0.00 O ATOM 259 CB MET A 19 -5.357 -13.089 -0.124 1.00 0.00 C ATOM 260 CG MET A 19 -5.055 -13.742 -1.463 1.00 0.00 C ATOM 261 SD MET A 19 -6.527 -13.947 -2.484 1.00 0.00 S ATOM 262 CE MET A 19 -7.539 -14.969 -1.416 1.00 0.00 C ATOM 0 H MET A 19 -7.823 -12.970 -0.007 1.00 0.00 H new ATOM 0 HA MET A 19 -5.883 -11.140 0.612 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.420 -12.910 0.403 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.939 -13.781 0.485 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.326 -13.137 -2.001 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.597 -14.716 -1.293 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.880 -15.846 -1.967 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.952 -15.287 -0.554 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.402 -14.397 -1.076 1.00 0.00 H new ATOM 272 N ASN A 20 -6.536 -11.099 -2.540 1.00 0.00 N ATOM 273 CA ASN A 20 -6.245 -10.442 -3.809 1.00 0.00 C ATOM 274 C ASN A 20 -6.063 -8.939 -3.614 1.00 0.00 C ATOM 275 O ASN A 20 -5.096 -8.353 -4.099 1.00 0.00 O ATOM 276 CB ASN A 20 -7.369 -10.705 -4.813 1.00 0.00 C ATOM 277 CG ASN A 20 -7.116 -11.943 -5.652 1.00 0.00 C ATOM 278 OD1 ASN A 20 -7.995 -12.791 -5.807 1.00 0.00 O ATOM 279 ND2 ASN A 20 -5.911 -12.051 -6.197 1.00 0.00 N ATOM 0 H ASN A 20 -7.425 -11.598 -2.518 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.315 -10.855 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.312 -10.819 -4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.477 -9.841 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.682 -12.862 -6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.214 -11.323 -6.041 1.00 0.00 H new ATOM 286 N ALA A 21 -7.000 -8.323 -2.900 1.00 0.00 N ATOM 287 CA ALA A 21 -6.942 -6.890 -2.639 1.00 0.00 C ATOM 288 C ALA A 21 -5.500 -6.417 -2.491 1.00 0.00 C ATOM 289 O ALA A 21 -5.115 -5.384 -3.040 1.00 0.00 O ATOM 290 CB ALA A 21 -7.742 -6.549 -1.390 1.00 0.00 C ATOM 0 H ALA A 21 -7.808 -8.794 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.381 -6.372 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.690 -5.476 -1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.782 -6.843 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.328 -7.084 -0.535 1.00 0.00 H new ATOM 296 N LEU A 22 -4.706 -7.178 -1.745 1.00 0.00 N ATOM 297 CA LEU A 22 -3.305 -6.836 -1.524 1.00 0.00 C ATOM 298 C LEU A 22 -2.560 -6.710 -2.849 1.00 0.00 C ATOM 299 O LEU A 22 -2.083 -5.633 -3.205 1.00 0.00 O ATOM 300 CB LEU A 22 -2.634 -7.893 -0.647 1.00 0.00 C ATOM 301 CG LEU A 22 -2.701 -7.654 0.862 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.288 -8.907 1.620 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.821 -6.476 1.255 1.00 0.00 C ATOM 0 H LEU A 22 -5.009 -8.036 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.267 -5.873 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.091 -8.859 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.586 -7.965 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.731 -7.417 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.342 -8.718 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.959 -9.726 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.267 -9.176 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.881 -6.320 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.788 -6.684 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.163 -5.579 0.739 1.00 0.00 H new ATOM 315 N MET A 23 -2.465 -7.819 -3.576 1.00 0.00 N ATOM 316 CA MET A 23 -1.780 -7.831 -4.864 1.00 0.00 C ATOM 317 C MET A 23 -2.253 -6.678 -5.742 1.00 0.00 C ATOM 318 O MET A 23 -1.448 -6.008 -6.390 1.00 0.00 O ATOM 319 CB MET A 23 -2.018 -9.163 -5.579 1.00 0.00 C ATOM 320 CG MET A 23 -1.034 -10.251 -5.181 1.00 0.00 C ATOM 321 SD MET A 23 -1.013 -10.553 -3.404 1.00 0.00 S ATOM 322 CE MET A 23 -2.428 -11.637 -3.228 1.00 0.00 C ATOM 0 H MET A 23 -2.853 -8.720 -3.296 1.00 0.00 H new ATOM 0 HA MET A 23 -0.712 -7.710 -4.681 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.031 -9.505 -5.365 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.956 -9.004 -6.656 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.291 -11.175 -5.699 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.034 -9.969 -5.509 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.590 -11.856 -2.172 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.313 -11.150 -3.637 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.244 -12.566 -3.767 1.00 0.00 H new ATOM 332 N ARG A 24 -3.563 -6.451 -5.760 1.00 0.00 N ATOM 333 CA ARG A 24 -4.142 -5.379 -6.560 1.00 0.00 C ATOM 334 C ARG A 24 -3.434 -4.055 -6.289 1.00 0.00 C ATOM 335 O ARG A 24 -2.845 -3.457 -7.190 1.00 0.00 O ATOM 336 CB ARG A 24 -5.636 -5.241 -6.262 1.00 0.00 C ATOM 337 CG ARG A 24 -6.452 -6.459 -6.663 1.00 0.00 C ATOM 338 CD ARG A 24 -6.931 -6.359 -8.103 1.00 0.00 C ATOM 339 NE ARG A 24 -7.880 -5.264 -8.290 1.00 0.00 N ATOM 340 CZ ARG A 24 -8.233 -4.792 -9.480 1.00 0.00 C ATOM 341 NH1 ARG A 24 -7.719 -5.317 -10.584 1.00 0.00 N ATOM 342 NH2 ARG A 24 -9.102 -3.794 -9.568 1.00 0.00 N ATOM 0 H ARG A 24 -4.243 -6.996 -5.229 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.010 -5.633 -7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.770 -5.060 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.023 -4.367 -6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.849 -7.359 -6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.311 -6.558 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.074 -6.212 -8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.400 -7.299 -8.395 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.294 -4.839 -7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.051 -6.085 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.992 -4.953 -11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.500 -3.388 -8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.372 -3.432 -10.483 1.00 0.00 H new ATOM 356 N LEU A 25 -3.496 -3.601 -5.042 1.00 0.00 N ATOM 357 CA LEU A 25 -2.862 -2.347 -4.651 1.00 0.00 C ATOM 358 C LEU A 25 -1.451 -2.249 -5.222 1.00 0.00 C ATOM 359 O LEU A 25 -1.062 -1.219 -5.770 1.00 0.00 O ATOM 360 CB LEU A 25 -2.816 -2.229 -3.127 1.00 0.00 C ATOM 361 CG LEU A 25 -2.584 -0.824 -2.569 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.801 0.055 -2.811 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.256 -0.887 -1.084 1.00 0.00 C ATOM 0 H LEU A 25 -3.979 -4.083 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.456 -1.527 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.756 -2.607 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.025 -2.881 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.734 -0.383 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.617 1.051 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.990 0.127 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.669 -0.382 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.094 0.122 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.085 -1.348 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.353 -1.480 -0.936 1.00 0.00 H new ATOM 375 N ASN A 26 -0.689 -3.331 -5.092 1.00 0.00 N ATOM 376 CA ASN A 26 0.679 -3.368 -5.597 1.00 0.00 C ATOM 377 C ASN A 26 0.698 -3.296 -7.120 1.00 0.00 C ATOM 378 O ASN A 26 1.539 -2.615 -7.708 1.00 0.00 O ATOM 379 CB ASN A 26 1.384 -4.641 -5.126 1.00 0.00 C ATOM 380 CG ASN A 26 1.656 -4.634 -3.634 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.635 -4.046 -3.174 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.789 -5.290 -2.871 1.00 0.00 N ATOM 0 H ASN A 26 -0.996 -4.193 -4.641 1.00 0.00 H new ATOM 0 HA ASN A 26 1.209 -2.501 -5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.771 -5.506 -5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.326 -4.751 -5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.921 -5.321 -1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.008 -5.763 -3.296 1.00 0.00 H new ATOM 389 N GLN A 27 -0.234 -4.001 -7.753 1.00 0.00 N ATOM 390 CA GLN A 27 -0.323 -4.017 -9.208 1.00 0.00 C ATOM 391 C GLN A 27 -0.496 -2.605 -9.758 1.00 0.00 C ATOM 392 O GLN A 27 0.307 -2.141 -10.568 1.00 0.00 O ATOM 393 CB GLN A 27 -1.489 -4.898 -9.659 1.00 0.00 C ATOM 394 CG GLN A 27 -1.166 -6.384 -9.652 1.00 0.00 C ATOM 395 CD GLN A 27 -0.264 -6.790 -10.801 1.00 0.00 C ATOM 396 OE1 GLN A 27 0.006 -5.998 -11.704 1.00 0.00 O ATOM 397 NE2 GLN A 27 0.206 -8.032 -10.774 1.00 0.00 N ATOM 0 H GLN A 27 -0.938 -4.568 -7.281 1.00 0.00 H new ATOM 0 HA GLN A 27 0.607 -4.429 -9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.344 -4.717 -9.007 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.788 -4.604 -10.665 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.685 -6.643 -8.709 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.094 -6.954 -9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.043 -8.655 -10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.816 -8.363 -11.521 1.00 0.00 H new ATOM 406 N ILE A 28 -1.548 -1.926 -9.313 1.00 0.00 N ATOM 407 CA ILE A 28 -1.825 -0.567 -9.760 1.00 0.00 C ATOM 408 C ILE A 28 -0.784 0.410 -9.226 1.00 0.00 C ATOM 409 O ILE A 28 -0.381 1.344 -9.920 1.00 0.00 O ATOM 410 CB ILE A 28 -3.225 -0.102 -9.317 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.496 -0.534 -7.874 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.289 -0.659 -10.251 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.591 0.262 -7.201 1.00 0.00 C ATOM 0 H ILE A 28 -2.223 -2.295 -8.643 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.784 -0.579 -10.849 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.262 0.986 -9.364 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.767 -1.590 -7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.578 -0.435 -7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.273 -0.321 -9.924 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.103 -0.307 -11.266 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.255 -1.748 -10.233 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.729 -0.098 -6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.314 1.316 -7.179 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.521 0.143 -7.757 1.00 0.00 H new ATOM 425 N ARG A 29 -0.352 0.188 -7.989 1.00 0.00 N ATOM 426 CA ARG A 29 0.644 1.049 -7.361 1.00 0.00 C ATOM 427 C ARG A 29 1.831 0.232 -6.861 1.00 0.00 C ATOM 428 O ARG A 29 1.874 -0.208 -5.713 1.00 0.00 O ATOM 429 CB ARG A 29 0.019 1.824 -6.200 1.00 0.00 C ATOM 430 CG ARG A 29 -1.353 2.396 -6.517 1.00 0.00 C ATOM 431 CD ARG A 29 -1.248 3.777 -7.146 1.00 0.00 C ATOM 432 NE ARG A 29 -0.480 3.757 -8.388 1.00 0.00 N ATOM 433 CZ ARG A 29 0.081 4.835 -8.923 1.00 0.00 C ATOM 434 NH1 ARG A 29 -0.039 6.014 -8.327 1.00 0.00 N ATOM 435 NH2 ARG A 29 0.764 4.736 -10.056 1.00 0.00 N ATOM 0 H ARG A 29 -0.676 -0.580 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 29 1.001 1.756 -8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.063 1.164 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.686 2.638 -5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.881 1.725 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.944 2.455 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.248 4.162 -7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.778 4.462 -6.440 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.368 2.866 -8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.563 6.094 -7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.393 6.841 -8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.859 3.831 -10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.195 5.565 -10.466 1.00 0.00 H new ATOM 449 N PRO A 30 2.820 0.023 -7.744 1.00 0.00 N ATOM 450 CA PRO A 30 4.026 -0.742 -7.415 1.00 0.00 C ATOM 451 C PRO A 30 4.928 -0.006 -6.430 1.00 0.00 C ATOM 452 O PRO A 30 5.018 1.221 -6.452 1.00 0.00 O ATOM 453 CB PRO A 30 4.727 -0.898 -8.767 1.00 0.00 C ATOM 454 CG PRO A 30 4.247 0.256 -9.578 1.00 0.00 C ATOM 455 CD PRO A 30 2.836 0.519 -9.130 1.00 0.00 C ATOM 0 HA PRO A 30 3.788 -1.689 -6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.811 -0.880 -8.655 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.471 -1.847 -9.238 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.876 1.132 -9.420 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.282 0.026 -10.643 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.590 1.580 -9.180 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.112 -0.006 -9.753 1.00 0.00 H new ATOM 463 N GLY A 31 5.597 -0.765 -5.566 1.00 0.00 N ATOM 464 CA GLY A 31 6.484 -0.167 -4.586 1.00 0.00 C ATOM 465 C GLY A 31 5.730 0.517 -3.463 1.00 0.00 C ATOM 466 O GLY A 31 5.885 1.719 -3.242 1.00 0.00 O ATOM 0 H GLY A 31 5.540 -1.783 -5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.131 -0.938 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.130 0.558 -5.080 1.00 0.00 H new ATOM 470 N LEU A 32 4.909 -0.248 -2.751 1.00 0.00 N ATOM 471 CA LEU A 32 4.126 0.292 -1.645 1.00 0.00 C ATOM 472 C LEU A 32 4.841 0.077 -0.315 1.00 0.00 C ATOM 473 O LEU A 32 5.689 -0.806 -0.192 1.00 0.00 O ATOM 474 CB LEU A 32 2.744 -0.362 -1.606 1.00 0.00 C ATOM 475 CG LEU A 32 1.776 0.048 -2.716 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.809 -1.085 -3.026 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.017 1.307 -2.323 1.00 0.00 C ATOM 0 H LEU A 32 4.768 -1.244 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 32 4.010 1.364 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.875 -1.443 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.282 -0.132 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 32 2.353 0.262 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.128 -0.775 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.368 -1.962 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.237 -1.330 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.333 1.584 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.451 1.120 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.723 2.119 -2.152 1.00 0.00 H new ATOM 489 N GLN A 33 4.492 0.889 0.677 1.00 0.00 N ATOM 490 CA GLN A 33 5.099 0.785 1.998 1.00 0.00 C ATOM 491 C GLN A 33 4.037 0.831 3.092 1.00 0.00 C ATOM 492 O GLN A 33 3.336 1.831 3.248 1.00 0.00 O ATOM 493 CB GLN A 33 6.112 1.913 2.207 1.00 0.00 C ATOM 494 CG GLN A 33 5.472 3.282 2.375 1.00 0.00 C ATOM 495 CD GLN A 33 6.376 4.409 1.918 1.00 0.00 C ATOM 496 OE1 GLN A 33 6.941 4.363 0.825 1.00 0.00 O ATOM 497 NE2 GLN A 33 6.518 5.431 2.754 1.00 0.00 N ATOM 0 H GLN A 33 3.792 1.626 0.591 1.00 0.00 H new ATOM 0 HA GLN A 33 5.614 -0.174 2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.713 1.691 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.793 1.941 1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.541 3.316 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.213 3.432 3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.031 5.428 3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.114 6.219 2.500 1.00 0.00 H new ATOM 506 N TYR A 34 3.923 -0.257 3.845 1.00 0.00 N ATOM 507 CA TYR A 34 2.944 -0.342 4.922 1.00 0.00 C ATOM 508 C TYR A 34 3.623 -0.241 6.285 1.00 0.00 C ATOM 509 O TYR A 34 4.640 -0.889 6.535 1.00 0.00 O ATOM 510 CB TYR A 34 2.162 -1.653 4.826 1.00 0.00 C ATOM 511 CG TYR A 34 1.540 -1.889 3.468 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.242 -2.547 2.466 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.251 -1.452 3.186 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.679 -2.764 1.223 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.321 -1.666 1.947 1.00 0.00 C ATOM 516 CZ TYR A 34 0.397 -2.322 0.969 1.00 0.00 C ATOM 517 OH TYR A 34 -0.169 -2.536 -0.267 1.00 0.00 O ATOM 0 H TYR A 34 4.496 -1.093 3.729 1.00 0.00 H new ATOM 0 HA TYR A 34 2.253 0.495 4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.830 -2.482 5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.376 -1.654 5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.245 -2.895 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.313 -0.936 3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.239 -3.277 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.325 -1.322 1.745 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.989 -3.062 -0.164 1.00 0.00 H new ATOM 527 N LYS A 35 3.053 0.577 7.163 1.00 0.00 N ATOM 528 CA LYS A 35 3.599 0.764 8.502 1.00 0.00 C ATOM 529 C LYS A 35 2.513 0.602 9.560 1.00 0.00 C ATOM 530 O LYS A 35 1.355 0.958 9.335 1.00 0.00 O ATOM 531 CB LYS A 35 4.243 2.147 8.624 1.00 0.00 C ATOM 532 CG LYS A 35 4.813 2.433 10.002 1.00 0.00 C ATOM 533 CD LYS A 35 6.100 1.662 10.245 1.00 0.00 C ATOM 534 CE LYS A 35 6.674 1.957 11.622 1.00 0.00 C ATOM 535 NZ LYS A 35 5.862 1.337 12.706 1.00 0.00 N ATOM 0 H LYS A 35 2.212 1.122 6.971 1.00 0.00 H new ATOM 0 HA LYS A 35 4.359 0.000 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.040 2.234 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.500 2.907 8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.003 3.501 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.079 2.167 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.909 0.593 10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.832 1.923 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.697 1.585 11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.719 3.036 11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.323 1.504 13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.912 1.760 12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.784 0.314 12.539 1.00 0.00 H new ATOM 549 N LEU A 36 2.893 0.065 10.714 1.00 0.00 N ATOM 550 CA LEU A 36 1.951 -0.142 11.809 1.00 0.00 C ATOM 551 C LEU A 36 1.933 1.061 12.747 1.00 0.00 C ATOM 552 O LEU A 36 2.791 1.192 13.622 1.00 0.00 O ATOM 553 CB LEU A 36 2.314 -1.406 12.589 1.00 0.00 C ATOM 554 CG LEU A 36 1.181 -2.053 13.385 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.092 -2.556 12.451 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.714 -3.189 14.246 1.00 0.00 C ATOM 0 H LEU A 36 3.847 -0.235 10.916 1.00 0.00 H new ATOM 0 HA LEU A 36 0.956 -0.261 11.381 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.704 -2.143 11.887 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.123 -1.163 13.278 1.00 0.00 H new ATOM 0 HG LEU A 36 0.748 -1.299 14.042 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.706 -3.013 13.036 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.311 -1.721 11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.511 -3.295 11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.893 -3.638 14.805 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.174 -3.944 13.608 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.457 -2.800 14.942 1.00 0.00 H new ATOM 568 N LEU A 37 0.950 1.935 12.561 1.00 0.00 N ATOM 569 CA LEU A 37 0.819 3.127 13.392 1.00 0.00 C ATOM 570 C LEU A 37 0.913 2.771 14.873 1.00 0.00 C ATOM 571 O LEU A 37 1.655 3.401 15.627 1.00 0.00 O ATOM 572 CB LEU A 37 -0.511 3.827 13.108 1.00 0.00 C ATOM 573 CG LEU A 37 -0.692 4.374 11.691 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.122 4.848 11.481 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.291 5.504 11.426 1.00 0.00 C ATOM 0 H LEU A 37 0.232 1.841 11.842 1.00 0.00 H new ATOM 0 HA LEU A 37 1.638 3.803 13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.319 3.124 13.311 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.622 4.652 13.812 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.490 3.570 10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.232 5.234 10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.807 4.013 11.628 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.353 5.637 12.197 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.148 5.881 10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.121 6.309 12.140 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.310 5.133 11.534 1.00 0.00 H new ATOM 587 N SER A 38 0.158 1.757 15.281 1.00 0.00 N ATOM 588 CA SER A 38 0.155 1.318 16.672 1.00 0.00 C ATOM 589 C SER A 38 -0.695 0.063 16.844 1.00 0.00 C ATOM 590 O SER A 38 -1.579 -0.216 16.034 1.00 0.00 O ATOM 591 CB SER A 38 -0.370 2.432 17.579 1.00 0.00 C ATOM 592 OG SER A 38 -0.369 2.026 18.937 1.00 0.00 O ATOM 0 H SER A 38 -0.460 1.224 14.669 1.00 0.00 H new ATOM 0 HA SER A 38 1.181 1.082 16.955 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.248 3.322 17.462 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.382 2.704 17.278 1.00 0.00 H new ATOM 0 HG SER A 38 -0.707 2.756 19.497 1.00 0.00 H new ATOM 598 N GLN A 39 -0.421 -0.690 17.904 1.00 0.00 N ATOM 599 CA GLN A 39 -1.160 -1.916 18.182 1.00 0.00 C ATOM 600 C GLN A 39 -1.740 -1.894 19.592 1.00 0.00 C ATOM 601 O GLN A 39 -1.046 -1.564 20.554 1.00 0.00 O ATOM 602 CB GLN A 39 -0.252 -3.134 18.010 1.00 0.00 C ATOM 603 CG GLN A 39 -0.987 -4.461 18.113 1.00 0.00 C ATOM 604 CD GLN A 39 -0.081 -5.598 18.542 1.00 0.00 C ATOM 605 OE1 GLN A 39 0.601 -5.420 19.667 1.00 0.00 O flip ATOM 606 NE2 GLN A 39 0.004 -6.627 17.870 1.00 0.00 N flip ATOM 0 H GLN A 39 0.307 -0.473 18.584 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.984 -1.983 17.471 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.240 -3.075 17.039 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.531 -3.102 18.767 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.805 -4.364 18.827 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.433 -4.701 17.148 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.538 -6.722 17.011 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.617 -7.384 18.172 1.00 0.00 H new ATOM 615 N SER A 40 -3.016 -2.247 19.708 1.00 0.00 N ATOM 616 CA SER A 40 -3.691 -2.263 21.001 1.00 0.00 C ATOM 617 C SER A 40 -4.518 -3.534 21.165 1.00 0.00 C ATOM 618 O SER A 40 -4.775 -4.251 20.199 1.00 0.00 O ATOM 619 CB SER A 40 -4.589 -1.034 21.147 1.00 0.00 C ATOM 620 OG SER A 40 -3.835 0.163 21.051 1.00 0.00 O ATOM 0 H SER A 40 -3.604 -2.526 18.922 1.00 0.00 H new ATOM 0 HA SER A 40 -2.930 -2.242 21.781 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.357 -1.047 20.374 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.103 -1.068 22.107 1.00 0.00 H new ATOM 0 HG SER A 40 -4.432 0.934 21.146 1.00 0.00 H new ATOM 626 N GLY A 41 -4.933 -3.808 22.399 1.00 0.00 N ATOM 627 CA GLY A 41 -5.727 -4.992 22.669 1.00 0.00 C ATOM 628 C GLY A 41 -4.911 -6.109 23.288 1.00 0.00 C ATOM 629 O GLY A 41 -3.727 -5.949 23.588 1.00 0.00 O ATOM 0 H GLY A 41 -4.733 -3.231 23.216 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.547 -4.731 23.339 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.175 -5.345 21.740 1.00 0.00 H new ATOM 633 N PRO A 42 -5.548 -7.272 23.489 1.00 0.00 N ATOM 634 CA PRO A 42 -4.892 -8.442 24.080 1.00 0.00 C ATOM 635 C PRO A 42 -3.857 -9.059 23.146 1.00 0.00 C ATOM 636 O PRO A 42 -3.509 -8.478 22.118 1.00 0.00 O ATOM 637 CB PRO A 42 -6.049 -9.416 24.314 1.00 0.00 C ATOM 638 CG PRO A 42 -7.083 -9.023 23.317 1.00 0.00 C ATOM 639 CD PRO A 42 -6.958 -7.533 23.156 1.00 0.00 C ATOM 0 HA PRO A 42 -4.341 -8.187 24.986 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.732 -10.449 24.169 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.431 -9.339 25.332 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.923 -9.533 22.367 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.081 -9.296 23.661 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.196 -7.217 22.140 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.634 -6.998 23.823 1.00 0.00 H new ATOM 647 N VAL A 43 -3.368 -10.240 23.509 1.00 0.00 N ATOM 648 CA VAL A 43 -2.373 -10.937 22.702 1.00 0.00 C ATOM 649 C VAL A 43 -3.037 -11.874 21.700 1.00 0.00 C ATOM 650 O VAL A 43 -2.501 -12.126 20.620 1.00 0.00 O ATOM 651 CB VAL A 43 -1.404 -11.748 23.583 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.143 -12.871 24.296 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.259 -12.299 22.747 1.00 0.00 C ATOM 0 H VAL A 43 -3.645 -10.735 24.357 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.811 -10.174 22.164 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.985 -11.084 24.339 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.442 -13.433 24.914 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.925 -12.449 24.927 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.592 -13.537 23.559 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.416 -12.869 23.385 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.657 -12.949 21.968 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.286 -11.474 22.288 1.00 0.00 H new ATOM 663 N HIS A 44 -4.207 -12.388 22.064 1.00 0.00 N ATOM 664 CA HIS A 44 -4.946 -13.298 21.196 1.00 0.00 C ATOM 665 C HIS A 44 -5.856 -12.523 20.246 1.00 0.00 C ATOM 666 O HIS A 44 -6.091 -12.946 19.115 1.00 0.00 O ATOM 667 CB HIS A 44 -5.775 -14.274 22.031 1.00 0.00 C ATOM 668 CG HIS A 44 -7.142 -13.762 22.369 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.360 -12.718 23.243 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.365 -14.157 21.944 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.658 -12.493 23.342 1.00 0.00 C ATOM 672 NE2 HIS A 44 -9.290 -13.353 22.563 1.00 0.00 N ATOM 0 H HIS A 44 -4.664 -12.190 22.954 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.225 -13.861 20.603 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.872 -15.213 21.487 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.240 -14.495 22.955 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.574 -14.956 21.248 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.123 -11.735 23.955 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.301 -13.410 22.441 1.00 0.00 H new ATOM 681 N ALA A 45 -6.363 -11.388 20.715 1.00 0.00 N ATOM 682 CA ALA A 45 -7.245 -10.555 19.907 1.00 0.00 C ATOM 683 C ALA A 45 -6.695 -9.138 19.777 1.00 0.00 C ATOM 684 O ALA A 45 -7.388 -8.152 20.030 1.00 0.00 O ATOM 685 CB ALA A 45 -8.643 -10.527 20.508 1.00 0.00 C ATOM 0 H ALA A 45 -6.178 -11.024 21.650 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.299 -10.989 18.909 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.291 -9.901 19.894 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.044 -11.540 20.543 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.597 -10.120 21.518 1.00 0.00 H new ATOM 691 N PRO A 46 -5.420 -9.033 19.375 1.00 0.00 N ATOM 692 CA PRO A 46 -4.749 -7.741 19.202 1.00 0.00 C ATOM 693 C PRO A 46 -5.293 -6.959 18.011 1.00 0.00 C ATOM 694 O PRO A 46 -5.984 -7.513 17.156 1.00 0.00 O ATOM 695 CB PRO A 46 -3.288 -8.129 18.965 1.00 0.00 C ATOM 696 CG PRO A 46 -3.348 -9.509 18.408 1.00 0.00 C ATOM 697 CD PRO A 46 -4.536 -10.166 19.056 1.00 0.00 C ATOM 0 HA PRO A 46 -4.897 -7.087 20.062 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.804 -7.443 18.270 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.716 -8.101 19.892 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.457 -9.488 17.324 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.432 -10.058 18.626 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.019 -10.876 18.384 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.251 -10.718 19.952 1.00 0.00 H new ATOM 705 N VAL A 47 -4.975 -5.669 17.961 1.00 0.00 N ATOM 706 CA VAL A 47 -5.431 -4.812 16.873 1.00 0.00 C ATOM 707 C VAL A 47 -4.252 -4.196 16.128 1.00 0.00 C ATOM 708 O VAL A 47 -3.608 -3.270 16.621 1.00 0.00 O ATOM 709 CB VAL A 47 -6.342 -3.684 17.392 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.853 -2.836 16.236 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.500 -4.260 18.193 1.00 0.00 C ATOM 0 H VAL A 47 -4.404 -5.195 18.661 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.999 -5.443 16.190 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.757 -3.043 18.052 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.495 -2.044 16.622 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.008 -2.394 15.708 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.422 -3.462 15.549 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.133 -3.449 18.552 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.086 -4.925 17.558 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.111 -4.820 19.043 1.00 0.00 H new ATOM 721 N PHE A 48 -3.974 -4.717 14.937 1.00 0.00 N ATOM 722 CA PHE A 48 -2.872 -4.218 14.123 1.00 0.00 C ATOM 723 C PHE A 48 -3.337 -3.088 13.211 1.00 0.00 C ATOM 724 O PHE A 48 -4.017 -3.321 12.210 1.00 0.00 O ATOM 725 CB PHE A 48 -2.275 -5.352 13.286 1.00 0.00 C ATOM 726 CG PHE A 48 -1.411 -6.290 14.078 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.969 -7.361 14.758 1.00 0.00 C ATOM 728 CD2 PHE A 48 -0.039 -6.103 14.142 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.176 -8.225 15.489 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.759 -6.965 14.870 1.00 0.00 C ATOM 731 CZ PHE A 48 0.190 -8.028 15.544 1.00 0.00 C ATOM 0 H PHE A 48 -4.497 -5.484 14.515 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.106 -3.827 14.793 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.085 -5.918 12.825 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.685 -4.923 12.476 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.036 -7.522 14.716 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.412 -5.274 13.617 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.624 -9.054 16.017 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.827 -6.808 14.912 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.812 -8.704 16.113 1.00 0.00 H new ATOM 741 N THR A 49 -2.967 -1.860 13.563 1.00 0.00 N ATOM 742 CA THR A 49 -3.347 -0.692 12.778 1.00 0.00 C ATOM 743 C THR A 49 -2.298 -0.377 11.718 1.00 0.00 C ATOM 744 O THR A 49 -1.212 0.111 12.033 1.00 0.00 O ATOM 745 CB THR A 49 -3.546 0.546 13.672 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.473 0.248 14.722 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.055 1.725 12.859 1.00 0.00 C ATOM 0 H THR A 49 -2.404 -1.649 14.387 1.00 0.00 H new ATOM 0 HA THR A 49 -4.291 -0.933 12.290 1.00 0.00 H new ATOM 0 HB THR A 49 -2.582 0.813 14.104 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.593 1.040 15.287 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.188 2.587 13.512 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.333 1.968 12.079 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.010 1.466 12.401 1.00 0.00 H new ATOM 755 N MET A 50 -2.629 -0.657 10.462 1.00 0.00 N ATOM 756 CA MET A 50 -1.714 -0.400 9.356 1.00 0.00 C ATOM 757 C MET A 50 -2.027 0.936 8.690 1.00 0.00 C ATOM 758 O MET A 50 -3.052 1.556 8.973 1.00 0.00 O ATOM 759 CB MET A 50 -1.796 -1.529 8.326 1.00 0.00 C ATOM 760 CG MET A 50 -0.821 -2.665 8.589 1.00 0.00 C ATOM 761 SD MET A 50 0.879 -2.231 8.174 1.00 0.00 S ATOM 762 CE MET A 50 1.784 -3.355 9.236 1.00 0.00 C ATOM 0 H MET A 50 -3.523 -1.062 10.185 1.00 0.00 H new ATOM 0 HA MET A 50 -0.701 -0.357 9.757 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.811 -1.927 8.316 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.604 -1.119 7.334 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.873 -2.948 9.640 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.121 -3.538 8.009 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.358 -2.784 9.965 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.083 -4.008 9.757 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.462 -3.959 8.633 1.00 0.00 H new ATOM 772 N SER A 51 -1.138 1.374 7.804 1.00 0.00 N ATOM 773 CA SER A 51 -1.318 2.639 7.101 1.00 0.00 C ATOM 774 C SER A 51 -0.488 2.672 5.822 1.00 0.00 C ATOM 775 O SER A 51 0.655 2.215 5.797 1.00 0.00 O ATOM 776 CB SER A 51 -0.929 3.809 8.006 1.00 0.00 C ATOM 777 OG SER A 51 0.478 3.969 8.056 1.00 0.00 O ATOM 0 H SER A 51 -0.286 0.871 7.556 1.00 0.00 H new ATOM 0 HA SER A 51 -2.370 2.731 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.390 4.726 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.315 3.639 9.011 1.00 0.00 H new ATOM 0 HG SER A 51 0.701 4.724 8.640 1.00 0.00 H new ATOM 783 N VAL A 52 -1.072 3.217 4.759 1.00 0.00 N ATOM 784 CA VAL A 52 -0.387 3.312 3.476 1.00 0.00 C ATOM 785 C VAL A 52 -0.717 4.624 2.772 1.00 0.00 C ATOM 786 O VAL A 52 -1.803 5.178 2.947 1.00 0.00 O ATOM 787 CB VAL A 52 -0.761 2.138 2.551 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.158 2.333 1.980 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.263 1.990 1.437 1.00 0.00 C ATOM 0 H VAL A 52 -2.018 3.599 4.762 1.00 0.00 H new ATOM 0 HA VAL A 52 0.682 3.274 3.685 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.759 1.220 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.405 1.494 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.880 2.385 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.191 3.259 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.017 1.156 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.296 2.907 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.246 1.801 1.869 1.00 0.00 H new ATOM 799 N ASP A 53 0.225 5.115 1.976 1.00 0.00 N ATOM 800 CA ASP A 53 0.034 6.362 1.244 1.00 0.00 C ATOM 801 C ASP A 53 -0.128 6.096 -0.250 1.00 0.00 C ATOM 802 O ASP A 53 0.795 5.619 -0.910 1.00 0.00 O ATOM 803 CB ASP A 53 1.216 7.304 1.481 1.00 0.00 C ATOM 804 CG ASP A 53 2.547 6.578 1.465 1.00 0.00 C ATOM 805 OD1 ASP A 53 2.754 5.738 0.565 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.381 6.851 2.353 1.00 0.00 O ATOM 0 H ASP A 53 1.129 4.669 1.821 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.877 6.834 1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.219 8.079 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.090 7.806 2.441 1.00 0.00 H new ATOM 811 N VAL A 54 -1.309 6.406 -0.776 1.00 0.00 N ATOM 812 CA VAL A 54 -1.593 6.201 -2.191 1.00 0.00 C ATOM 813 C VAL A 54 -2.256 7.430 -2.803 1.00 0.00 C ATOM 814 O VAL A 54 -3.227 7.959 -2.260 1.00 0.00 O ATOM 815 CB VAL A 54 -2.504 4.978 -2.409 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.796 4.786 -3.889 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.869 3.729 -1.817 1.00 0.00 C ATOM 0 H VAL A 54 -2.084 6.800 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.636 6.025 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.450 5.156 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.441 3.917 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.296 5.673 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.861 4.630 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.526 2.875 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.909 3.546 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.717 3.871 -0.747 1.00 0.00 H new ATOM 827 N ASP A 55 -1.726 7.879 -3.935 1.00 0.00 N ATOM 828 CA ASP A 55 -2.267 9.046 -4.622 1.00 0.00 C ATOM 829 C ASP A 55 -2.482 10.199 -3.648 1.00 0.00 C ATOM 830 O ASP A 55 -3.494 10.897 -3.709 1.00 0.00 O ATOM 831 CB ASP A 55 -3.586 8.692 -5.312 1.00 0.00 C ATOM 832 CG ASP A 55 -3.383 7.832 -6.544 1.00 0.00 C ATOM 833 OD1 ASP A 55 -2.319 7.958 -7.186 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.287 7.034 -6.867 1.00 0.00 O ATOM 0 H ASP A 55 -0.922 7.453 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.545 9.361 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.231 8.166 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.103 9.609 -5.594 1.00 0.00 H new ATOM 839 N GLY A 56 -1.523 10.393 -2.747 1.00 0.00 N ATOM 840 CA GLY A 56 -1.627 11.463 -1.771 1.00 0.00 C ATOM 841 C GLY A 56 -2.766 11.247 -0.794 1.00 0.00 C ATOM 842 O GLY A 56 -3.339 12.205 -0.274 1.00 0.00 O ATOM 0 H GLY A 56 -0.676 9.829 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.690 11.541 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.772 12.411 -2.289 1.00 0.00 H new ATOM 846 N THR A 57 -3.097 9.984 -0.543 1.00 0.00 N ATOM 847 CA THR A 57 -4.177 9.645 0.376 1.00 0.00 C ATOM 848 C THR A 57 -3.719 8.622 1.408 1.00 0.00 C ATOM 849 O THR A 57 -3.416 7.476 1.072 1.00 0.00 O ATOM 850 CB THR A 57 -5.400 9.087 -0.376 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.776 9.980 -1.430 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.574 8.890 0.572 1.00 0.00 C ATOM 0 H THR A 57 -2.633 9.179 -0.963 1.00 0.00 H new ATOM 0 HA THR A 57 -4.462 10.567 0.884 1.00 0.00 H new ATOM 0 HB THR A 57 -5.129 8.120 -0.799 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.553 9.617 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.426 8.495 0.019 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.294 8.187 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.844 9.846 1.020 1.00 0.00 H new ATOM 860 N THR A 58 -3.670 9.041 2.669 1.00 0.00 N ATOM 861 CA THR A 58 -3.248 8.160 3.751 1.00 0.00 C ATOM 862 C THR A 58 -4.419 7.343 4.283 1.00 0.00 C ATOM 863 O THR A 58 -5.367 7.892 4.845 1.00 0.00 O ATOM 864 CB THR A 58 -2.623 8.957 4.912 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.518 9.732 4.436 1.00 0.00 O ATOM 866 CG2 THR A 58 -2.154 8.023 6.019 1.00 0.00 C ATOM 0 H THR A 58 -3.917 9.985 2.966 1.00 0.00 H new ATOM 0 HA THR A 58 -2.498 7.487 3.336 1.00 0.00 H new ATOM 0 HB THR A 58 -3.385 9.623 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.128 10.237 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.716 8.608 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.003 7.455 6.400 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.406 7.336 5.623 1.00 0.00 H new ATOM 874 N TYR A 59 -4.348 6.029 4.104 1.00 0.00 N ATOM 875 CA TYR A 59 -5.404 5.136 4.564 1.00 0.00 C ATOM 876 C TYR A 59 -5.007 4.450 5.868 1.00 0.00 C ATOM 877 O TYR A 59 -3.829 4.395 6.219 1.00 0.00 O ATOM 878 CB TYR A 59 -5.715 4.085 3.497 1.00 0.00 C ATOM 879 CG TYR A 59 -6.115 4.677 2.164 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.162 5.198 1.298 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.447 4.713 1.770 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.523 5.740 0.080 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.818 5.251 0.553 1.00 0.00 C ATOM 884 CZ TYR A 59 -6.852 5.764 -0.288 1.00 0.00 C ATOM 885 OH TYR A 59 -7.217 6.302 -1.501 1.00 0.00 O ATOM 0 H TYR A 59 -3.569 5.558 3.643 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.297 5.735 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.839 3.452 3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.519 3.442 3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.120 5.179 1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.206 4.313 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.769 6.143 -0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.858 5.270 0.262 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.489 6.180 -2.146 1.00 0.00 H new ATOM 895 N GLU A 60 -6.001 3.928 6.581 1.00 0.00 N ATOM 896 CA GLU A 60 -5.756 3.246 7.846 1.00 0.00 C ATOM 897 C GLU A 60 -6.775 2.131 8.069 1.00 0.00 C ATOM 898 O GLU A 60 -7.981 2.373 8.083 1.00 0.00 O ATOM 899 CB GLU A 60 -5.810 4.241 9.007 1.00 0.00 C ATOM 900 CG GLU A 60 -4.822 5.387 8.873 1.00 0.00 C ATOM 901 CD GLU A 60 -5.034 6.466 9.916 1.00 0.00 C ATOM 902 OE1 GLU A 60 -5.308 6.116 11.084 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.927 7.660 9.566 1.00 0.00 O ATOM 0 H GLU A 60 -6.982 3.965 6.304 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.761 2.803 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.818 4.648 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.614 3.710 9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.807 4.999 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.912 5.825 7.879 1.00 0.00 H new ATOM 910 N ALA A 61 -6.279 0.911 8.243 1.00 0.00 N ATOM 911 CA ALA A 61 -7.144 -0.241 8.467 1.00 0.00 C ATOM 912 C ALA A 61 -6.625 -1.103 9.612 1.00 0.00 C ATOM 913 O ALA A 61 -5.479 -1.552 9.594 1.00 0.00 O ATOM 914 CB ALA A 61 -7.264 -1.066 7.194 1.00 0.00 C ATOM 0 H ALA A 61 -5.282 0.694 8.233 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.132 0.126 8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.913 -1.923 7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.689 -0.451 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.277 -1.416 6.893 1.00 0.00 H new ATOM 920 N SER A 62 -7.475 -1.330 10.608 1.00 0.00 N ATOM 921 CA SER A 62 -7.101 -2.135 11.765 1.00 0.00 C ATOM 922 C SER A 62 -7.746 -3.516 11.697 1.00 0.00 C ATOM 923 O SER A 62 -8.933 -3.646 11.401 1.00 0.00 O ATOM 924 CB SER A 62 -7.512 -1.430 13.059 1.00 0.00 C ATOM 925 OG SER A 62 -8.872 -1.035 13.013 1.00 0.00 O ATOM 0 H SER A 62 -8.428 -0.968 10.637 1.00 0.00 H new ATOM 0 HA SER A 62 -6.018 -2.258 11.756 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.352 -2.096 13.907 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.881 -0.555 13.217 1.00 0.00 H new ATOM 0 HG SER A 62 -9.111 -0.588 13.852 1.00 0.00 H new ATOM 931 N GLY A 63 -6.953 -4.547 11.976 1.00 0.00 N ATOM 932 CA GLY A 63 -7.463 -5.905 11.942 1.00 0.00 C ATOM 933 C GLY A 63 -6.905 -6.762 13.060 1.00 0.00 C ATOM 934 O GLY A 63 -6.112 -6.307 13.884 1.00 0.00 O ATOM 0 H GLY A 63 -5.967 -4.465 12.225 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.550 -5.883 12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.215 -6.359 10.982 1.00 0.00 H new ATOM 938 N PRO A 64 -7.325 -8.036 13.101 1.00 0.00 N ATOM 939 CA PRO A 64 -6.875 -8.985 14.123 1.00 0.00 C ATOM 940 C PRO A 64 -5.410 -9.371 13.952 1.00 0.00 C ATOM 941 O PRO A 64 -4.740 -9.745 14.914 1.00 0.00 O ATOM 942 CB PRO A 64 -7.777 -10.201 13.899 1.00 0.00 C ATOM 943 CG PRO A 64 -8.182 -10.114 12.468 1.00 0.00 C ATOM 944 CD PRO A 64 -8.270 -8.647 12.151 1.00 0.00 C ATOM 0 HA PRO A 64 -6.943 -8.565 15.127 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.246 -11.131 14.104 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.645 -10.177 14.558 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.454 -10.609 11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.140 -10.607 12.303 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.990 -8.442 11.118 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.282 -8.266 12.289 1.00 0.00 H new ATOM 952 N SER A 65 -4.918 -9.276 12.721 1.00 0.00 N ATOM 953 CA SER A 65 -3.532 -9.618 12.423 1.00 0.00 C ATOM 954 C SER A 65 -2.909 -8.592 11.481 1.00 0.00 C ATOM 955 O SER A 65 -3.542 -7.601 11.118 1.00 0.00 O ATOM 956 CB SER A 65 -3.451 -11.013 11.800 1.00 0.00 C ATOM 957 OG SER A 65 -2.171 -11.587 11.999 1.00 0.00 O ATOM 0 H SER A 65 -5.459 -8.965 11.914 1.00 0.00 H new ATOM 0 HA SER A 65 -2.974 -9.612 13.359 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.214 -11.656 12.240 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.663 -10.951 10.733 1.00 0.00 H new ATOM 0 HG SER A 65 -2.146 -12.479 11.593 1.00 0.00 H new ATOM 963 N LYS A 66 -1.663 -8.837 11.090 1.00 0.00 N ATOM 964 CA LYS A 66 -0.952 -7.937 10.190 1.00 0.00 C ATOM 965 C LYS A 66 -1.422 -8.124 8.750 1.00 0.00 C ATOM 966 O LYS A 66 -1.604 -7.154 8.014 1.00 0.00 O ATOM 967 CB LYS A 66 0.556 -8.178 10.281 1.00 0.00 C ATOM 968 CG LYS A 66 1.389 -6.955 9.936 1.00 0.00 C ATOM 969 CD LYS A 66 1.670 -6.107 11.165 1.00 0.00 C ATOM 970 CE LYS A 66 2.704 -6.762 12.069 1.00 0.00 C ATOM 971 NZ LYS A 66 4.095 -6.449 11.637 1.00 0.00 N ATOM 0 H LYS A 66 -1.124 -9.652 11.383 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.169 -6.913 10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.803 -8.502 11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.827 -8.993 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.331 -7.270 9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.866 -6.356 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.025 -5.124 10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.745 -5.952 11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.557 -6.423 13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.557 -7.842 12.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.770 -6.913 12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.244 -6.795 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.244 -5.420 11.664 1.00 0.00 H new ATOM 985 N LYS A 67 -1.618 -9.378 8.355 1.00 0.00 N ATOM 986 CA LYS A 67 -2.069 -9.693 7.005 1.00 0.00 C ATOM 987 C LYS A 67 -3.436 -9.075 6.730 1.00 0.00 C ATOM 988 O LYS A 67 -3.691 -8.566 5.638 1.00 0.00 O ATOM 989 CB LYS A 67 -2.134 -11.209 6.808 1.00 0.00 C ATOM 990 CG LYS A 67 -3.003 -11.919 7.831 1.00 0.00 C ATOM 991 CD LYS A 67 -3.264 -13.363 7.436 1.00 0.00 C ATOM 992 CE LYS A 67 -3.768 -14.181 8.615 1.00 0.00 C ATOM 993 NZ LYS A 67 -2.650 -14.795 9.382 1.00 0.00 N ATOM 0 H LYS A 67 -1.471 -10.193 8.951 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.351 -9.272 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.516 -11.421 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.124 -11.617 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.516 -11.890 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.952 -11.392 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.997 -13.394 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.347 -13.807 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.354 -13.542 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.435 -14.965 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.035 -15.344 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.105 -15.424 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.027 -14.046 9.748 1.00 0.00 H new ATOM 1007 N THR A 68 -4.313 -9.122 7.728 1.00 0.00 N ATOM 1008 CA THR A 68 -5.654 -8.567 7.594 1.00 0.00 C ATOM 1009 C THR A 68 -5.615 -7.045 7.524 1.00 0.00 C ATOM 1010 O THR A 68 -6.331 -6.432 6.733 1.00 0.00 O ATOM 1011 CB THR A 68 -6.558 -8.992 8.767 1.00 0.00 C ATOM 1012 OG1 THR A 68 -5.864 -8.820 10.007 1.00 0.00 O ATOM 1013 CG2 THR A 68 -6.991 -10.443 8.618 1.00 0.00 C ATOM 0 H THR A 68 -4.118 -9.539 8.638 1.00 0.00 H new ATOM 0 HA THR A 68 -6.067 -8.960 6.665 1.00 0.00 H new ATOM 0 HB THR A 68 -7.447 -8.362 8.759 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.319 -9.614 10.189 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.628 -10.721 9.458 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.545 -10.564 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.111 -11.086 8.603 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.772 -6.440 8.355 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.637 -4.989 8.384 1.00 0.00 C ATOM 1023 C ALA A 69 -4.235 -4.447 7.017 1.00 0.00 C ATOM 1024 O ALA A 69 -4.895 -3.565 6.468 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.621 -4.575 9.438 1.00 0.00 C ATOM 0 H ALA A 69 -4.172 -6.933 9.017 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.607 -4.564 8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.530 -3.489 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.951 -4.921 10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.653 -5.018 9.204 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.146 -4.980 6.471 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.655 -4.550 5.167 1.00 0.00 C ATOM 1033 C LYS A 70 -3.693 -4.814 4.081 1.00 0.00 C ATOM 1034 O LYS A 70 -3.862 -4.012 3.162 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.350 -5.274 4.827 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.107 -4.542 5.301 1.00 0.00 C ATOM 1037 CD LYS A 70 1.067 -5.490 5.474 1.00 0.00 C ATOM 1038 CE LYS A 70 1.666 -5.887 4.134 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.109 -6.236 4.252 1.00 0.00 N ATOM 0 H LYS A 70 -2.587 -5.711 6.912 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.467 -3.477 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.369 -6.268 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.291 -5.411 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.155 -3.765 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.316 -4.044 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.832 -5.015 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.739 -6.383 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.119 -6.738 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.548 -5.067 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.480 -6.501 3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.636 -5.416 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.220 -7.036 4.908 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.387 -5.941 4.193 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.410 -6.310 3.221 1.00 0.00 C ATOM 1055 C LEU A 71 -6.562 -5.311 3.238 1.00 0.00 C ATOM 1056 O LEU A 71 -6.950 -4.777 2.198 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.936 -7.717 3.514 1.00 0.00 C ATOM 1058 CG LEU A 71 -7.135 -8.172 2.680 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.687 -8.607 1.294 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.874 -9.301 3.383 1.00 0.00 C ATOM 0 H LEU A 71 -4.260 -6.615 4.948 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.956 -6.297 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.123 -8.426 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.211 -7.769 4.568 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.818 -7.330 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.553 -8.927 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.202 -7.771 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.983 -9.435 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.724 -9.613 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.199 -10.145 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.229 -8.955 4.354 1.00 0.00 H new ATOM 1072 N HIS A 72 -7.104 -5.059 4.425 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.210 -4.121 4.578 1.00 0.00 C ATOM 1074 C HIS A 72 -7.877 -2.779 3.933 1.00 0.00 C ATOM 1075 O HIS A 72 -8.624 -2.279 3.093 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.538 -3.922 6.058 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.068 -5.154 6.725 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.059 -6.448 6.329 1.00 0.00 N flip ATOM 1079 CD2 HIS A 72 -9.701 -5.133 7.950 1.00 0.00 C flip ATOM 1080 CE1 HIS A 72 -9.679 -7.179 7.313 1.00 0.00 C flip ATOM 1081 NE2 HIS A 72 -10.057 -6.362 8.280 1.00 0.00 N flip ATOM 0 H HIS A 72 -6.795 -5.492 5.295 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.081 -4.540 4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.639 -3.594 6.580 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.272 -3.122 6.155 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.878 -4.250 8.546 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.833 -8.248 7.298 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.541 -6.634 9.136 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.749 -2.199 4.334 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.317 -0.915 3.796 1.00 0.00 C ATOM 1092 C VAL A 73 -6.518 -0.857 2.285 1.00 0.00 C ATOM 1093 O VAL A 73 -7.286 -0.037 1.783 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.835 -0.643 4.116 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.325 0.546 3.316 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.647 -0.412 5.608 1.00 0.00 C ATOM 0 H VAL A 73 -6.119 -2.599 5.029 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.930 -0.150 4.271 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.253 -1.519 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.276 0.723 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.424 0.337 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.909 1.431 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.594 -0.221 5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.240 0.447 5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.971 -1.296 6.157 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.822 -1.732 1.567 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.926 -1.782 0.114 1.00 0.00 C ATOM 1108 C ALA A 74 -7.368 -1.587 -0.340 1.00 0.00 C ATOM 1109 O ALA A 74 -7.670 -0.671 -1.106 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.379 -3.102 -0.409 1.00 0.00 C ATOM 0 H ALA A 74 -5.180 -2.416 1.968 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.330 -0.967 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.463 -3.126 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.332 -3.200 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.950 -3.927 0.017 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.256 -2.454 0.136 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.668 -2.377 -0.221 1.00 0.00 C ATOM 1118 C VAL A 75 -10.148 -0.930 -0.254 1.00 0.00 C ATOM 1119 O VAL A 75 -10.758 -0.488 -1.228 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.541 -3.174 0.766 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -12.015 -2.997 0.438 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -10.155 -4.646 0.748 1.00 0.00 C ATOM 0 H VAL A 75 -8.023 -3.218 0.770 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.767 -2.813 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.369 -2.788 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.616 -3.567 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.279 -1.942 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.208 -3.355 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.781 -5.195 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.298 -5.047 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.109 -4.751 1.035 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.869 -0.196 0.818 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.270 1.203 0.913 1.00 0.00 C ATOM 1134 C LYS A 76 -9.720 2.008 -0.260 1.00 0.00 C ATOM 1135 O LYS A 76 -10.471 2.664 -0.981 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.782 1.806 2.233 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.732 1.574 3.395 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.986 1.493 4.717 1.00 0.00 C ATOM 1139 CE LYS A 76 -9.545 0.069 5.021 1.00 0.00 C ATOM 1140 NZ LYS A 76 -10.706 -0.855 5.150 1.00 0.00 N ATOM 0 H LYS A 76 -9.367 -0.547 1.633 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.359 1.246 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.809 1.381 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.637 2.878 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.462 2.383 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.288 0.651 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.114 2.146 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.627 1.856 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.886 -0.284 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.967 0.057 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.672 -1.328 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.591 -0.314 5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.667 -1.569 4.394 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.405 1.952 -0.446 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.755 2.674 -1.533 1.00 0.00 C ATOM 1156 C VAL A 77 -8.497 2.468 -2.849 1.00 0.00 C ATOM 1157 O VAL A 77 -8.835 3.430 -3.541 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.291 2.228 -1.706 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.594 3.080 -2.756 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.553 2.296 -0.377 1.00 0.00 C ATOM 0 H VAL A 77 -7.769 1.414 0.142 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.776 3.731 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.282 1.193 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.561 2.750 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.110 2.976 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.611 4.125 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.520 1.977 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.569 3.320 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.040 1.639 0.344 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.746 1.209 -3.190 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.449 0.876 -4.425 1.00 0.00 C ATOM 1172 C LEU A 78 -10.812 1.559 -4.477 1.00 0.00 C ATOM 1173 O LEU A 78 -11.171 2.171 -5.483 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.621 -0.639 -4.544 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.335 -1.466 -4.498 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.655 -2.953 -4.532 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.417 -1.090 -5.651 1.00 0.00 C ATOM 0 H LEU A 78 -8.472 0.402 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.851 1.235 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.274 -0.975 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.134 -0.854 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.819 -1.247 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.728 -3.526 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.273 -3.212 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.194 -3.188 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.507 -1.688 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.925 -1.279 -6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.160 -0.033 -5.582 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.564 1.452 -3.387 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.887 2.061 -3.309 1.00 0.00 C ATOM 1191 C GLN A 79 -12.798 3.576 -3.464 1.00 0.00 C ATOM 1192 O GLN A 79 -13.645 4.194 -4.109 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.555 1.711 -1.979 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.960 0.249 -1.867 1.00 0.00 C ATOM 1195 CD GLN A 79 -15.103 0.033 -0.895 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -14.808 -0.598 0.235 1.00 0.00 O flip ATOM 1197 NE2 GLN A 79 -16.239 0.428 -1.157 1.00 0.00 N flip ATOM 0 H GLN A 79 -11.280 0.950 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.491 1.665 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.873 1.954 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.439 2.335 -1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.250 -0.120 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.100 -0.339 -1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.421 0.909 -2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.998 0.275 -0.493 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.768 4.167 -2.868 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.569 5.609 -2.941 1.00 0.00 C ATOM 1208 C ALA A 80 -11.376 6.064 -4.384 1.00 0.00 C ATOM 1209 O ALA A 80 -11.969 7.052 -4.817 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.375 6.020 -2.092 1.00 0.00 C ATOM 0 H ALA A 80 -11.059 3.670 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.463 6.095 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.238 7.099 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.552 5.737 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.479 5.518 -2.457 1.00 0.00 H new ATOM 1216 N MET A 81 -10.543 5.338 -5.122 1.00 0.00 N ATOM 1217 CA MET A 81 -10.274 5.668 -6.517 1.00 0.00 C ATOM 1218 C MET A 81 -11.492 5.381 -7.389 1.00 0.00 C ATOM 1219 O MET A 81 -11.735 6.070 -8.379 1.00 0.00 O ATOM 1220 CB MET A 81 -9.069 4.875 -7.027 1.00 0.00 C ATOM 1221 CG MET A 81 -7.829 5.029 -6.161 1.00 0.00 C ATOM 1222 SD MET A 81 -6.300 4.872 -7.104 1.00 0.00 S ATOM 1223 CE MET A 81 -5.838 3.185 -6.721 1.00 0.00 C ATOM 0 H MET A 81 -10.043 4.518 -4.778 1.00 0.00 H new ATOM 0 HA MET A 81 -10.051 6.733 -6.576 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.336 3.819 -7.081 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.836 5.197 -8.042 1.00 0.00 H new ATOM 0 HG2 MET A 81 -7.851 6.003 -5.671 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.845 4.276 -5.373 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.888 3.180 -6.187 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.607 2.730 -6.097 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.737 2.617 -7.646 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.256 4.359 -7.014 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.439 3.999 -7.773 1.00 0.00 C ATOM 1235 C GLY A 82 -13.302 2.654 -8.457 1.00 0.00 C ATOM 1236 O GLY A 82 -13.824 2.451 -9.554 1.00 0.00 O ATOM 0 H GLY A 82 -12.076 3.774 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.302 3.978 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.633 4.766 -8.523 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.597 1.732 -7.811 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.389 0.400 -8.366 1.00 0.00 C ATOM 1242 C TYR A 83 -13.241 -0.634 -7.636 1.00 0.00 C ATOM 1243 O TYR A 83 -13.614 -0.460 -6.475 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.912 0.013 -8.279 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.049 0.682 -9.325 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.127 0.309 -10.661 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.154 1.686 -8.976 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.339 0.917 -11.620 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.364 2.301 -9.928 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.460 1.912 -11.248 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.673 2.521 -12.200 1.00 0.00 O ATOM 0 H TYR A 83 -12.160 1.883 -6.902 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.692 0.420 -9.413 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.535 0.271 -7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.821 -1.068 -8.382 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.815 -0.470 -10.955 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.075 1.991 -7.943 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.411 0.615 -12.654 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.675 3.082 -9.640 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.110 3.201 -11.773 1.00 0.00 H new