USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 62 THR OG1 : rot 180:sc= 0.174 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.155 K(o=0.33,f=-0.94) USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= -0.647 USER MOD Set 2.2: A 35 GLN : amide:sc= -4.28! C(o=-4.9!,f=-5.1!) USER MOD Set 3.1: A 19 HIS :FLIP no HE2:sc= -6.82! C(o=-11!,f=-9!) USER MOD Set 3.2: A 21 MET CE :methyl -128:sc= -1.83 (180deg=0) USER MOD Set 3.3: A 87 HIS :FLIP no HD1:sc= -0.299 F(o=-10,f=-9) USER MOD Single : A 24 GLN : amide:sc= -12.4! C(o=-12!,f=-16!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.74 F(o=-2.4!,f=-0.74) USER MOD Single : A 32 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.4!) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.52! C(o=-2.5!,f=-2.8!) USER MOD Single : A 46 HIS : no HD1:sc= -2.85 K(o=-2.9,f=-4.6!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.6) USER MOD Single : A 59 MET CE :methyl -173:sc= -3.19! (180deg=-3.51!) USER MOD Single : A 61 THR OG1 : rot -84:sc= -1.64! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -80:sc= 1.22 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 205 N ARG A 16 -4.852 9.803 -3.351 1.00 0.00 N ATOM 206 CA ARG A 16 -4.462 8.412 -3.545 1.00 0.00 C ATOM 207 C ARG A 16 -3.384 8.005 -2.544 1.00 0.00 C ATOM 208 O ARG A 16 -2.224 8.396 -2.672 1.00 0.00 O ATOM 209 CB ARG A 16 -3.954 8.198 -4.972 1.00 0.00 C ATOM 210 CG ARG A 16 -4.591 9.128 -5.991 1.00 0.00 C ATOM 211 CD ARG A 16 -3.991 10.524 -5.921 1.00 0.00 C ATOM 212 NE ARG A 16 -5.002 11.564 -6.105 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.711 12.839 -6.335 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.446 13.231 -6.409 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.685 13.725 -6.492 1.00 0.00 N ATOM 0 HA ARG A 16 -5.340 7.788 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.873 8.340 -4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.145 7.166 -5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.453 8.721 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.665 9.183 -5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.502 10.660 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.222 10.627 -6.686 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.985 11.295 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.694 12.552 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.225 14.211 -6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.659 13.427 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.460 14.704 -6.669 1.00 0.00 H new ATOM 229 N VAL A 17 -3.776 7.217 -1.547 1.00 0.00 N ATOM 230 CA VAL A 17 -2.844 6.757 -0.525 1.00 0.00 C ATOM 231 C VAL A 17 -3.125 5.309 -0.137 1.00 0.00 C ATOM 232 O VAL A 17 -4.147 5.009 0.480 1.00 0.00 O ATOM 233 CB VAL A 17 -2.913 7.638 0.735 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.990 7.098 1.817 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.565 9.080 0.397 1.00 0.00 C ATOM 0 H VAL A 17 -4.733 6.884 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.844 6.828 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.934 7.614 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.053 7.734 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.291 6.084 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.964 7.089 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.619 9.688 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.555 9.125 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.271 9.461 -0.340 1.00 0.00 H new ATOM 245 N VAL A 18 -2.212 4.416 -0.501 1.00 0.00 N ATOM 246 CA VAL A 18 -2.360 2.999 -0.190 1.00 0.00 C ATOM 247 C VAL A 18 -1.458 2.595 0.970 1.00 0.00 C ATOM 248 O VAL A 18 -0.237 2.525 0.826 1.00 0.00 O ATOM 249 CB VAL A 18 -2.035 2.119 -1.411 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.770 2.607 -2.099 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.897 0.662 -0.996 1.00 0.00 C ATOM 0 H VAL A 18 -1.361 4.648 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.401 2.843 0.092 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.859 2.195 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.556 1.973 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.910 3.635 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.065 2.563 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.667 0.055 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.093 0.566 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.832 0.320 -0.552 1.00 0.00 H new ATOM 261 N HIS A 19 -2.067 2.327 2.121 1.00 0.00 N ATOM 262 CA HIS A 19 -1.319 1.927 3.307 1.00 0.00 C ATOM 263 C HIS A 19 -1.003 0.434 3.273 1.00 0.00 C ATOM 264 O HIS A 19 -1.855 -0.381 2.919 1.00 0.00 O ATOM 265 CB HIS A 19 -2.108 2.265 4.572 1.00 0.00 C ATOM 266 CG HIS A 19 -1.359 1.985 5.839 1.00 0.00 C ATOM 267 ND1 HIS A 19 -0.030 1.898 6.079 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -1.982 1.755 7.047 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 0.125 1.622 7.415 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.068 1.540 7.977 1.00 0.00 N flip ATOM 0 H HIS A 19 -3.076 2.380 2.257 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.379 2.479 3.316 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.383 3.320 4.548 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.036 1.694 4.575 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.717 2.016 5.395 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.050 1.751 7.208 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.069 1.493 7.924 1.00 0.00 H new ATOM 278 N ILE A 20 0.224 0.086 3.643 1.00 0.00 N ATOM 279 CA ILE A 20 0.651 -1.308 3.654 1.00 0.00 C ATOM 280 C ILE A 20 1.402 -1.643 4.938 1.00 0.00 C ATOM 281 O ILE A 20 2.401 -1.005 5.269 1.00 0.00 O ATOM 282 CB ILE A 20 1.550 -1.633 2.447 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.929 -1.088 1.159 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.774 -3.133 2.340 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.942 -0.505 0.199 1.00 0.00 C ATOM 0 H ILE A 20 0.940 0.749 3.939 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.253 -1.914 3.596 1.00 0.00 H new ATOM 0 HB ILE A 20 2.517 -1.152 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.387 -1.890 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.199 -0.320 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.411 -3.345 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.256 -3.495 3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.815 -3.636 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.431 -0.138 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.468 0.319 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.659 -1.275 -0.086 1.00 0.00 H new ATOM 297 N MET A 21 0.915 -2.649 5.657 1.00 0.00 N ATOM 298 CA MET A 21 1.543 -3.070 6.905 1.00 0.00 C ATOM 299 C MET A 21 1.812 -4.571 6.897 1.00 0.00 C ATOM 300 O MET A 21 1.363 -5.288 6.002 1.00 0.00 O ATOM 301 CB MET A 21 0.655 -2.705 8.096 1.00 0.00 C ATOM 302 CG MET A 21 -0.072 -1.380 7.929 1.00 0.00 C ATOM 303 SD MET A 21 -1.861 -1.546 8.082 1.00 0.00 S ATOM 304 CE MET A 21 -2.371 -1.306 6.382 1.00 0.00 C ATOM 0 H MET A 21 0.088 -3.188 5.398 1.00 0.00 H new ATOM 0 HA MET A 21 2.495 -2.548 6.999 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.079 -3.496 8.247 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.268 -2.663 8.996 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.289 -0.675 8.678 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.168 -0.959 6.953 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.142 -0.536 6.339 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.513 -0.995 5.785 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.769 -2.240 5.986 1.00 0.00 H new ATOM 314 N ASP A 22 2.546 -5.041 7.901 1.00 0.00 N ATOM 315 CA ASP A 22 2.874 -6.458 8.010 1.00 0.00 C ATOM 316 C ASP A 22 3.960 -6.843 7.010 1.00 0.00 C ATOM 317 O ASP A 22 4.449 -7.973 7.014 1.00 0.00 O ATOM 318 CB ASP A 22 1.625 -7.311 7.780 1.00 0.00 C ATOM 319 CG ASP A 22 1.780 -8.721 8.318 1.00 0.00 C ATOM 320 OD1 ASP A 22 2.680 -9.442 7.839 1.00 0.00 O ATOM 321 OD2 ASP A 22 1.003 -9.100 9.219 1.00 0.00 O ATOM 0 H ASP A 22 2.925 -4.462 8.650 1.00 0.00 H new ATOM 0 HA ASP A 22 3.250 -6.643 9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.770 -6.834 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.409 -7.354 6.712 1.00 0.00 H new ATOM 326 N PHE A 23 4.331 -5.897 6.155 1.00 0.00 N ATOM 327 CA PHE A 23 5.358 -6.138 5.148 1.00 0.00 C ATOM 328 C PHE A 23 6.737 -6.238 5.791 1.00 0.00 C ATOM 329 O PHE A 23 6.971 -5.693 6.869 1.00 0.00 O ATOM 330 CB PHE A 23 5.350 -5.019 4.103 1.00 0.00 C ATOM 331 CG PHE A 23 5.763 -3.684 4.652 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.095 -3.301 4.647 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.820 -2.811 5.171 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.479 -2.072 5.151 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.198 -1.582 5.675 1.00 0.00 C ATOM 336 CZ PHE A 23 6.529 -1.211 5.666 1.00 0.00 C ATOM 0 H PHE A 23 3.936 -4.957 6.139 1.00 0.00 H new ATOM 0 HA PHE A 23 5.136 -7.086 4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.020 -5.290 3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.349 -4.935 3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.841 -3.970 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.778 -3.095 5.181 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.520 -1.785 5.142 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.453 -0.911 6.076 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.826 -0.250 6.061 1.00 0.00 H new ATOM 346 N GLN A 24 7.647 -6.938 5.120 1.00 0.00 N ATOM 347 CA GLN A 24 9.004 -7.111 5.628 1.00 0.00 C ATOM 348 C GLN A 24 10.010 -6.371 4.753 1.00 0.00 C ATOM 349 O GLN A 24 9.663 -5.858 3.688 1.00 0.00 O ATOM 350 CB GLN A 24 9.361 -8.597 5.691 1.00 0.00 C ATOM 351 CG GLN A 24 8.227 -9.474 6.199 1.00 0.00 C ATOM 352 CD GLN A 24 7.276 -9.893 5.095 1.00 0.00 C ATOM 353 OE1 GLN A 24 7.702 -10.310 4.017 1.00 0.00 O ATOM 354 NE2 GLN A 24 5.979 -9.786 5.359 1.00 0.00 N ATOM 0 H GLN A 24 7.470 -7.394 4.225 1.00 0.00 H new ATOM 0 HA GLN A 24 9.046 -6.691 6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.653 -8.935 4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.228 -8.727 6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.644 -10.363 6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.672 -8.935 6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.670 -9.435 6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.291 -10.054 4.655 1.00 0.00 H new ATOM 363 N ARG A 25 11.257 -6.320 5.207 1.00 0.00 N ATOM 364 CA ARG A 25 12.314 -5.641 4.467 1.00 0.00 C ATOM 365 C ARG A 25 13.466 -6.594 4.167 1.00 0.00 C ATOM 366 O ARG A 25 13.539 -7.690 4.722 1.00 0.00 O ATOM 367 CB ARG A 25 12.827 -4.436 5.257 1.00 0.00 C ATOM 368 CG ARG A 25 11.740 -3.437 5.620 1.00 0.00 C ATOM 369 CD ARG A 25 12.294 -2.025 5.724 1.00 0.00 C ATOM 370 NE ARG A 25 12.348 -1.559 7.108 1.00 0.00 N ATOM 371 CZ ARG A 25 11.271 -1.303 7.840 1.00 0.00 C ATOM 372 NH1 ARG A 25 10.060 -1.467 7.323 1.00 0.00 N ATOM 373 NH2 ARG A 25 11.402 -0.883 9.092 1.00 0.00 N ATOM 0 H ARG A 25 11.561 -6.741 6.085 1.00 0.00 H new ATOM 0 HA ARG A 25 11.896 -5.295 3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.305 -4.788 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.594 -3.929 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.952 -3.465 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.285 -3.721 6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.294 -1.995 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.673 -1.348 5.137 1.00 0.00 H new ATOM 0 HE ARG A 25 13.264 -1.423 7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.956 -1.790 6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.234 -1.270 7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.331 -0.757 9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.573 -0.687 9.653 1.00 0.00 H new ATOM 387 N GLY A 26 14.365 -6.170 3.284 1.00 0.00 N ATOM 388 CA GLY A 26 15.502 -6.998 2.925 1.00 0.00 C ATOM 389 C GLY A 26 16.178 -6.534 1.651 1.00 0.00 C ATOM 390 O GLY A 26 16.925 -5.556 1.656 1.00 0.00 O ATOM 0 H GLY A 26 14.326 -5.267 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.225 -6.989 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.172 -8.030 2.802 1.00 0.00 H new ATOM 394 N LYS A 27 15.916 -7.237 0.554 1.00 0.00 N ATOM 395 CA LYS A 27 16.505 -6.893 -0.735 1.00 0.00 C ATOM 396 C LYS A 27 15.434 -6.419 -1.712 1.00 0.00 C ATOM 397 O LYS A 27 14.395 -7.059 -1.869 1.00 0.00 O ATOM 398 CB LYS A 27 17.246 -8.098 -1.319 1.00 0.00 C ATOM 399 CG LYS A 27 18.222 -7.736 -2.424 1.00 0.00 C ATOM 400 CD LYS A 27 19.645 -7.634 -1.900 1.00 0.00 C ATOM 401 CE LYS A 27 20.591 -8.533 -2.679 1.00 0.00 C ATOM 402 NZ LYS A 27 20.932 -9.770 -1.923 1.00 0.00 N ATOM 0 H LYS A 27 15.299 -8.049 0.532 1.00 0.00 H new ATOM 0 HA LYS A 27 17.214 -6.080 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.787 -8.603 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.517 -8.808 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.176 -8.488 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.929 -6.787 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.985 -6.601 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.666 -7.909 -0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 27 20.133 -8.804 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 27 21.505 -7.985 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 21.579 -10.356 -2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 21.392 -9.513 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.063 -10.306 -1.725 1.00 0.00 H new ATOM 416 N ASN A 28 15.696 -5.293 -2.370 1.00 0.00 N ATOM 417 CA ASN A 28 14.755 -4.734 -3.333 1.00 0.00 C ATOM 418 C ASN A 28 13.349 -4.669 -2.745 1.00 0.00 C ATOM 419 O ASN A 28 12.362 -4.917 -3.439 1.00 0.00 O ATOM 420 CB ASN A 28 14.747 -5.570 -4.614 1.00 0.00 C ATOM 421 CG ASN A 28 16.098 -5.588 -5.302 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.946 -6.534 -4.914 1.00 0.00 O flip ATOM 423 ND2 ASN A 28 16.375 -4.762 -6.170 1.00 0.00 N flip ATOM 0 H ASN A 28 16.552 -4.751 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 28 15.077 -3.720 -3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.450 -6.591 -4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.999 -5.172 -5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.692 -4.053 -6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.288 -4.786 -6.624 1.00 0.00 H new ATOM 430 N LEU A 29 13.265 -4.334 -1.462 1.00 0.00 N ATOM 431 CA LEU A 29 11.979 -4.236 -0.779 1.00 0.00 C ATOM 432 C LEU A 29 11.099 -3.171 -1.427 1.00 0.00 C ATOM 433 O LEU A 29 10.036 -3.477 -1.969 1.00 0.00 O ATOM 434 CB LEU A 29 12.189 -3.910 0.701 1.00 0.00 C ATOM 435 CG LEU A 29 10.926 -3.586 1.501 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.529 -2.132 1.305 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.788 -4.512 1.100 1.00 0.00 C ATOM 0 H LEU A 29 14.072 -4.126 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 29 11.475 -5.199 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.687 -4.758 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.869 -3.061 0.773 1.00 0.00 H new ATOM 0 HG LEU A 29 11.138 -3.743 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.629 -1.920 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.338 -1.485 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.335 -1.947 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.898 -4.267 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.575 -4.388 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.074 -5.546 1.295 1.00 0.00 H new ATOM 449 N ARG A 30 11.549 -1.923 -1.367 1.00 0.00 N ATOM 450 CA ARG A 30 10.803 -0.813 -1.949 1.00 0.00 C ATOM 451 C ARG A 30 10.079 -1.251 -3.219 1.00 0.00 C ATOM 452 O ARG A 30 8.959 -0.818 -3.487 1.00 0.00 O ATOM 453 CB ARG A 30 11.742 0.354 -2.260 1.00 0.00 C ATOM 454 CG ARG A 30 11.082 1.474 -3.046 1.00 0.00 C ATOM 455 CD ARG A 30 12.114 2.373 -3.708 1.00 0.00 C ATOM 456 NE ARG A 30 12.924 1.651 -4.685 1.00 0.00 N ATOM 457 CZ ARG A 30 13.693 2.249 -5.587 1.00 0.00 C ATOM 458 NH1 ARG A 30 13.758 3.572 -5.637 1.00 0.00 N ATOM 459 NH2 ARG A 30 14.401 1.523 -6.443 1.00 0.00 N ATOM 0 H ARG A 30 12.426 -1.654 -0.922 1.00 0.00 H new ATOM 0 HA ARG A 30 10.059 -0.487 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.129 0.757 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.597 -0.019 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.427 1.049 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.455 2.067 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.608 3.204 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.764 2.802 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 30 12.898 0.631 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.216 4.134 -4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.350 4.028 -6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.355 0.505 -6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.992 1.983 -7.136 1.00 0.00 H new ATOM 473 N TYR A 31 10.728 -2.111 -3.996 1.00 0.00 N ATOM 474 CA TYR A 31 10.148 -2.605 -5.239 1.00 0.00 C ATOM 475 C TYR A 31 8.973 -3.537 -4.959 1.00 0.00 C ATOM 476 O TYR A 31 7.904 -3.402 -5.553 1.00 0.00 O ATOM 477 CB TYR A 31 11.207 -3.336 -6.066 1.00 0.00 C ATOM 478 CG TYR A 31 10.629 -4.193 -7.170 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.271 -3.638 -8.391 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.441 -5.558 -6.989 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.741 -4.417 -9.402 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.915 -6.345 -7.994 1.00 0.00 C ATOM 483 CZ TYR A 31 9.566 -5.770 -9.198 1.00 0.00 C ATOM 484 OH TYR A 31 9.041 -6.551 -10.203 1.00 0.00 O ATOM 0 H TYR A 31 11.656 -2.480 -3.787 1.00 0.00 H new ATOM 0 HA TYR A 31 9.782 -1.748 -5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.884 -2.602 -6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.803 -3.964 -5.404 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.409 -2.579 -8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.711 -6.011 -6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.466 -3.969 -10.346 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.778 -7.405 -7.838 1.00 0.00 H new ATOM 0 HH TYR A 31 8.984 -7.481 -9.899 1.00 0.00 H new ATOM 494 N GLN A 32 9.180 -4.483 -4.049 1.00 0.00 N ATOM 495 CA GLN A 32 8.139 -5.438 -3.689 1.00 0.00 C ATOM 496 C GLN A 32 6.829 -4.723 -3.373 1.00 0.00 C ATOM 497 O GLN A 32 5.771 -5.086 -3.891 1.00 0.00 O ATOM 498 CB GLN A 32 8.579 -6.275 -2.487 1.00 0.00 C ATOM 499 CG GLN A 32 9.807 -7.129 -2.757 1.00 0.00 C ATOM 500 CD GLN A 32 9.455 -8.537 -3.193 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.464 -9.111 -2.739 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.266 -9.104 -4.078 1.00 0.00 N ATOM 0 H GLN A 32 10.059 -4.609 -3.547 1.00 0.00 H new ATOM 0 HA GLN A 32 7.976 -6.097 -4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.786 -5.610 -1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.756 -6.922 -2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.412 -6.654 -3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.419 -7.174 -1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.076 -8.593 -4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.079 -10.051 -4.408 1.00 0.00 H new ATOM 511 N LEU A 33 6.907 -3.707 -2.523 1.00 0.00 N ATOM 512 CA LEU A 33 5.727 -2.940 -2.137 1.00 0.00 C ATOM 513 C LEU A 33 5.188 -2.139 -3.319 1.00 0.00 C ATOM 514 O LEU A 33 3.978 -2.076 -3.540 1.00 0.00 O ATOM 515 CB LEU A 33 6.061 -1.998 -0.980 1.00 0.00 C ATOM 516 CG LEU A 33 6.529 -2.665 0.314 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.969 -1.619 1.325 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.426 -3.539 0.893 1.00 0.00 C ATOM 0 H LEU A 33 7.774 -3.394 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 33 4.958 -3.642 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.838 -1.309 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.177 -1.400 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 33 7.385 -3.300 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.299 -2.113 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.791 -1.036 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.133 -0.957 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.777 -4.006 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.551 -2.926 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.159 -4.313 0.173 1.00 0.00 H new ATOM 530 N LEU A 34 6.094 -1.531 -4.077 1.00 0.00 N ATOM 531 CA LEU A 34 5.710 -0.737 -5.240 1.00 0.00 C ATOM 532 C LEU A 34 5.093 -1.617 -6.322 1.00 0.00 C ATOM 533 O LEU A 34 4.312 -1.146 -7.147 1.00 0.00 O ATOM 534 CB LEU A 34 6.926 0.003 -5.799 1.00 0.00 C ATOM 535 CG LEU A 34 7.438 1.178 -4.967 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.807 1.625 -5.457 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.451 2.336 -5.012 1.00 0.00 C ATOM 0 H LEU A 34 7.099 -1.572 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 34 4.963 -0.009 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.739 -0.713 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.677 0.370 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 34 7.534 0.848 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.154 2.462 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.512 0.798 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.737 1.935 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.833 3.163 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.321 2.664 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.491 2.011 -4.611 1.00 0.00 H new ATOM 549 N GLN A 35 5.449 -2.898 -6.310 1.00 0.00 N ATOM 550 CA GLN A 35 4.929 -3.844 -7.290 1.00 0.00 C ATOM 551 C GLN A 35 3.453 -4.132 -7.038 1.00 0.00 C ATOM 552 O GLN A 35 2.774 -4.731 -7.873 1.00 0.00 O ATOM 553 CB GLN A 35 5.729 -5.146 -7.247 1.00 0.00 C ATOM 554 CG GLN A 35 6.996 -5.109 -8.086 1.00 0.00 C ATOM 555 CD GLN A 35 6.712 -5.119 -9.575 1.00 0.00 C ATOM 556 OE1 GLN A 35 6.349 -6.151 -10.142 1.00 0.00 O ATOM 557 NE2 GLN A 35 6.874 -3.969 -10.216 1.00 0.00 N ATOM 0 H GLN A 35 6.095 -3.304 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 35 5.030 -3.397 -8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.994 -5.366 -6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.097 -5.963 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.567 -4.215 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.619 -5.967 -7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.176 -3.139 -9.706 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.696 -3.915 -11.219 1.00 0.00 H new ATOM 566 N LEU A 36 2.960 -3.702 -5.881 1.00 0.00 N ATOM 567 CA LEU A 36 1.563 -3.914 -5.519 1.00 0.00 C ATOM 568 C LEU A 36 0.666 -2.869 -6.174 1.00 0.00 C ATOM 569 O LEU A 36 -0.555 -3.018 -6.208 1.00 0.00 O ATOM 570 CB LEU A 36 1.397 -3.865 -3.999 1.00 0.00 C ATOM 571 CG LEU A 36 2.201 -4.894 -3.202 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.147 -4.578 -1.716 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.681 -6.299 -3.471 1.00 0.00 C ATOM 0 H LEU A 36 3.507 -3.205 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 36 1.265 -4.899 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.677 -2.869 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.341 -3.998 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 36 3.241 -4.845 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.724 -5.320 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.567 -3.588 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.111 -4.599 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.264 -7.019 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.634 -6.362 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.773 -6.524 -4.534 1.00 0.00 H new ATOM 585 N VAL A 37 1.281 -1.812 -6.694 1.00 0.00 N ATOM 586 CA VAL A 37 0.538 -0.742 -7.351 1.00 0.00 C ATOM 587 C VAL A 37 1.077 -0.481 -8.753 1.00 0.00 C ATOM 588 O VAL A 37 0.354 -0.005 -9.628 1.00 0.00 O ATOM 589 CB VAL A 37 0.597 0.564 -6.537 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.243 0.303 -5.081 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.973 1.202 -6.654 1.00 0.00 C ATOM 0 H VAL A 37 2.291 -1.673 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.499 -1.071 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.137 1.259 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.290 1.238 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.765 -0.106 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.950 -0.410 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.997 2.124 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.727 0.513 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.182 1.427 -7.700 1.00 0.00 H new ATOM 601 N GLU A 38 2.352 -0.793 -8.959 1.00 0.00 N ATOM 602 CA GLU A 38 2.989 -0.591 -10.255 1.00 0.00 C ATOM 603 C GLU A 38 2.093 -1.091 -11.384 1.00 0.00 C ATOM 604 O GLU A 38 1.691 -0.338 -12.273 1.00 0.00 O ATOM 605 CB GLU A 38 4.338 -1.310 -10.303 1.00 0.00 C ATOM 606 CG GLU A 38 5.517 -0.379 -10.527 1.00 0.00 C ATOM 607 CD GLU A 38 6.058 -0.450 -11.943 1.00 0.00 C ATOM 608 OE1 GLU A 38 6.599 -1.512 -12.317 1.00 0.00 O ATOM 609 OE2 GLU A 38 5.941 0.554 -12.674 1.00 0.00 O ATOM 0 H GLU A 38 2.965 -1.187 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 38 3.151 0.478 -10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.485 -1.850 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.316 -2.053 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.213 0.645 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.312 -0.631 -9.825 1.00 0.00 H new ATOM 616 N PRO A 39 1.770 -2.392 -11.352 1.00 0.00 N ATOM 617 CA PRO A 39 0.919 -3.023 -12.365 1.00 0.00 C ATOM 618 C PRO A 39 -0.532 -2.562 -12.272 1.00 0.00 C ATOM 619 O PRO A 39 -1.385 -3.006 -13.039 1.00 0.00 O ATOM 620 CB PRO A 39 1.027 -4.515 -12.041 1.00 0.00 C ATOM 621 CG PRO A 39 1.368 -4.564 -10.592 1.00 0.00 C ATOM 622 CD PRO A 39 2.213 -3.349 -10.324 1.00 0.00 C ATOM 0 HA PRO A 39 1.234 -2.769 -13.377 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.090 -5.033 -12.245 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.796 -4.997 -12.645 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.467 -4.556 -9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.910 -5.478 -10.349 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.052 -2.961 -9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.276 -3.571 -10.413 1.00 0.00 H new ATOM 630 N PHE A 40 -0.803 -1.667 -11.327 1.00 0.00 N ATOM 631 CA PHE A 40 -2.151 -1.145 -11.133 1.00 0.00 C ATOM 632 C PHE A 40 -2.253 0.295 -11.628 1.00 0.00 C ATOM 633 O PHE A 40 -3.345 0.793 -11.900 1.00 0.00 O ATOM 634 CB PHE A 40 -2.541 -1.218 -9.656 1.00 0.00 C ATOM 635 CG PHE A 40 -2.667 -2.623 -9.138 1.00 0.00 C ATOM 636 CD1 PHE A 40 -1.552 -3.314 -8.694 1.00 0.00 C ATOM 637 CD2 PHE A 40 -3.902 -3.249 -9.093 1.00 0.00 C ATOM 638 CE1 PHE A 40 -1.665 -4.606 -8.218 1.00 0.00 C ATOM 639 CE2 PHE A 40 -4.022 -4.543 -8.617 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.902 -5.221 -8.178 1.00 0.00 C ATOM 0 H PHE A 40 -0.107 -1.288 -10.684 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.839 -1.759 -11.714 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.795 -0.687 -9.065 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.489 -0.700 -9.513 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.583 -2.837 -8.720 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.781 -2.721 -9.433 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.787 -5.135 -7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.990 -5.022 -8.589 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.993 -6.230 -7.804 1.00 0.00 H new ATOM 650 N GLY A 41 -1.106 0.959 -11.740 1.00 0.00 N ATOM 651 CA GLY A 41 -1.088 2.335 -12.200 1.00 0.00 C ATOM 652 C GLY A 41 0.309 2.921 -12.219 1.00 0.00 C ATOM 653 O GLY A 41 1.284 2.215 -12.476 1.00 0.00 O ATOM 0 H GLY A 41 -0.190 0.568 -11.520 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.514 2.385 -13.202 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.724 2.940 -11.553 1.00 0.00 H new ATOM 657 N VAL A 42 0.409 4.219 -11.947 1.00 0.00 N ATOM 658 CA VAL A 42 1.697 4.901 -11.934 1.00 0.00 C ATOM 659 C VAL A 42 2.091 5.305 -10.517 1.00 0.00 C ATOM 660 O VAL A 42 1.232 5.580 -9.678 1.00 0.00 O ATOM 661 CB VAL A 42 1.678 6.155 -12.826 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.315 6.829 -12.772 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.776 7.122 -12.411 1.00 0.00 C ATOM 0 H VAL A 42 -0.388 4.819 -11.733 1.00 0.00 H new ATOM 0 HA VAL A 42 2.431 4.197 -12.326 1.00 0.00 H new ATOM 0 HB VAL A 42 1.865 5.849 -13.855 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.321 7.714 -13.409 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.448 6.135 -13.123 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.095 7.122 -11.746 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.747 8.003 -13.053 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.623 7.423 -11.375 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.746 6.634 -12.508 1.00 0.00 H new ATOM 673 N ILE A 43 3.393 5.339 -10.257 1.00 0.00 N ATOM 674 CA ILE A 43 3.900 5.712 -8.943 1.00 0.00 C ATOM 675 C ILE A 43 4.204 7.204 -8.873 1.00 0.00 C ATOM 676 O ILE A 43 5.086 7.702 -9.573 1.00 0.00 O ATOM 677 CB ILE A 43 5.174 4.922 -8.586 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.096 3.503 -9.152 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.371 4.887 -7.078 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.151 2.600 -8.391 1.00 0.00 C ATOM 0 H ILE A 43 4.116 5.113 -10.939 1.00 0.00 H new ATOM 0 HA ILE A 43 3.118 5.470 -8.223 1.00 0.00 H new ATOM 0 HB ILE A 43 6.032 5.424 -9.033 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.778 3.553 -10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.093 3.062 -9.144 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.275 4.325 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.467 5.905 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.512 4.406 -6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.146 1.610 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.480 2.520 -7.355 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.145 3.018 -8.421 1.00 0.00 H new ATOM 692 N SER A 44 3.468 7.913 -8.023 1.00 0.00 N ATOM 693 CA SER A 44 3.658 9.350 -7.863 1.00 0.00 C ATOM 694 C SER A 44 4.668 9.646 -6.760 1.00 0.00 C ATOM 695 O SER A 44 5.508 10.534 -6.895 1.00 0.00 O ATOM 696 CB SER A 44 2.324 10.029 -7.543 1.00 0.00 C ATOM 697 OG SER A 44 1.860 10.788 -8.646 1.00 0.00 O ATOM 0 H SER A 44 2.735 7.516 -7.435 1.00 0.00 H new ATOM 0 HA SER A 44 4.045 9.747 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.583 9.275 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.442 10.678 -6.675 1.00 0.00 H new ATOM 0 HG SER A 44 1.096 11.335 -8.368 1.00 0.00 H new ATOM 703 N ASN A 45 4.581 8.892 -5.668 1.00 0.00 N ATOM 704 CA ASN A 45 5.488 9.072 -4.541 1.00 0.00 C ATOM 705 C ASN A 45 5.210 8.044 -3.449 1.00 0.00 C ATOM 706 O ASN A 45 4.072 7.888 -3.003 1.00 0.00 O ATOM 707 CB ASN A 45 5.353 10.486 -3.972 1.00 0.00 C ATOM 708 CG ASN A 45 6.339 11.456 -4.592 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.533 11.169 -4.686 1.00 0.00 O ATOM 710 ND2 ASN A 45 5.844 12.612 -5.018 1.00 0.00 N ATOM 0 H ASN A 45 3.892 8.151 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 45 6.507 8.927 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.338 10.847 -4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.506 10.457 -2.893 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.460 13.305 -5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.848 12.807 -4.920 1.00 0.00 H new ATOM 717 N HIS A 46 6.256 7.344 -3.022 1.00 0.00 N ATOM 718 CA HIS A 46 6.125 6.330 -1.981 1.00 0.00 C ATOM 719 C HIS A 46 6.854 6.759 -0.711 1.00 0.00 C ATOM 720 O HIS A 46 7.792 7.555 -0.760 1.00 0.00 O ATOM 721 CB HIS A 46 6.675 4.990 -2.472 1.00 0.00 C ATOM 722 CG HIS A 46 8.170 4.906 -2.433 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.992 5.828 -3.045 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.990 4.003 -1.847 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.254 5.495 -2.840 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.280 4.391 -2.115 1.00 0.00 N ATOM 0 H HIS A 46 7.204 7.460 -3.381 1.00 0.00 H new ATOM 0 HA HIS A 46 5.066 6.216 -1.750 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.258 4.190 -1.861 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.336 4.820 -3.494 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.687 3.138 -1.275 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.117 6.033 -3.203 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.122 3.905 -1.805 1.00 0.00 H new ATOM 734 N LEU A 47 6.416 6.225 0.424 1.00 0.00 N ATOM 735 CA LEU A 47 7.026 6.553 1.708 1.00 0.00 C ATOM 736 C LEU A 47 7.205 5.300 2.561 1.00 0.00 C ATOM 737 O LEU A 47 6.250 4.564 2.807 1.00 0.00 O ATOM 738 CB LEU A 47 6.169 7.575 2.457 1.00 0.00 C ATOM 739 CG LEU A 47 6.659 7.971 3.850 1.00 0.00 C ATOM 740 CD1 LEU A 47 5.960 9.235 4.323 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.436 6.834 4.837 1.00 0.00 C ATOM 0 H LEU A 47 5.642 5.564 0.481 1.00 0.00 H new ATOM 0 HA LEU A 47 8.009 6.984 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.100 8.477 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.159 7.174 2.549 1.00 0.00 H new ATOM 0 HG LEU A 47 7.729 8.172 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.322 9.501 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.172 10.049 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.884 9.063 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.791 7.133 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.373 6.601 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.985 5.952 4.506 1.00 0.00 H new ATOM 753 N ILE A 48 8.434 5.067 3.010 1.00 0.00 N ATOM 754 CA ILE A 48 8.737 3.907 3.837 1.00 0.00 C ATOM 755 C ILE A 48 9.522 4.309 5.081 1.00 0.00 C ATOM 756 O ILE A 48 10.732 4.530 5.021 1.00 0.00 O ATOM 757 CB ILE A 48 9.541 2.852 3.055 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.103 2.828 1.590 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.371 1.479 3.687 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.714 1.695 0.794 1.00 0.00 C ATOM 0 H ILE A 48 9.236 5.667 2.814 1.00 0.00 H new ATOM 0 HA ILE A 48 7.782 3.475 4.136 1.00 0.00 H new ATOM 0 HB ILE A 48 10.597 3.120 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.017 2.748 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.372 3.776 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.946 0.745 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.728 1.506 4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.317 1.201 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.359 1.741 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.800 1.785 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.424 0.742 1.236 1.00 0.00 H new ATOM 772 N LEU A 49 8.826 4.401 6.209 1.00 0.00 N ATOM 773 CA LEU A 49 9.457 4.774 7.471 1.00 0.00 C ATOM 774 C LEU A 49 10.499 3.739 7.884 1.00 0.00 C ATOM 775 O LEU A 49 10.225 2.540 7.899 1.00 0.00 O ATOM 776 CB LEU A 49 8.403 4.920 8.568 1.00 0.00 C ATOM 777 CG LEU A 49 7.169 5.748 8.207 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.039 5.479 9.189 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.511 7.231 8.178 1.00 0.00 C ATOM 0 H LEU A 49 7.824 4.222 6.276 1.00 0.00 H new ATOM 0 HA LEU A 49 9.958 5.731 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.074 3.924 8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.876 5.371 9.441 1.00 0.00 H new ATOM 0 HG LEU A 49 6.836 5.453 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.170 6.077 8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.776 4.422 9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.361 5.745 10.196 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.621 7.805 7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.870 7.541 9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.287 7.411 7.434 1.00 0.00 H new ATOM 791 N ASN A 50 11.694 4.213 8.223 1.00 0.00 N ATOM 792 CA ASN A 50 12.776 3.329 8.640 1.00 0.00 C ATOM 793 C ASN A 50 12.714 3.063 10.141 1.00 0.00 C ATOM 794 O ASN A 50 13.742 3.001 10.815 1.00 0.00 O ATOM 795 CB ASN A 50 14.131 3.941 8.275 1.00 0.00 C ATOM 796 CG ASN A 50 14.993 2.993 7.462 1.00 0.00 C ATOM 797 OD1 ASN A 50 15.722 2.171 8.017 1.00 0.00 O ATOM 798 ND2 ASN A 50 14.912 3.106 6.142 1.00 0.00 N ATOM 0 H ASN A 50 11.937 5.204 8.217 1.00 0.00 H new ATOM 0 HA ASN A 50 12.659 2.380 8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.972 4.859 7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.660 4.217 9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.468 2.496 5.543 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.293 3.803 5.727 1.00 0.00 H new ATOM 805 N LYS A 51 11.501 2.905 10.658 1.00 0.00 N ATOM 806 CA LYS A 51 11.301 2.644 12.078 1.00 0.00 C ATOM 807 C LYS A 51 10.429 1.410 12.288 1.00 0.00 C ATOM 808 O LYS A 51 10.746 0.547 13.105 1.00 0.00 O ATOM 809 CB LYS A 51 10.660 3.856 12.756 1.00 0.00 C ATOM 810 CG LYS A 51 11.669 4.861 13.288 1.00 0.00 C ATOM 811 CD LYS A 51 11.421 5.178 14.753 1.00 0.00 C ATOM 812 CE LYS A 51 10.691 6.502 14.922 1.00 0.00 C ATOM 813 NZ LYS A 51 11.554 7.535 15.557 1.00 0.00 N ATOM 0 H LYS A 51 10.640 2.953 10.114 1.00 0.00 H new ATOM 0 HA LYS A 51 12.276 2.458 12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.004 4.355 12.043 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.034 3.512 13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.677 4.465 13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.614 5.778 12.702 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.835 4.378 15.205 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.372 5.215 15.284 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.355 6.858 13.948 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.799 6.350 15.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.020 8.422 15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.854 7.207 16.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.392 7.699 14.964 1.00 0.00 H new ATOM 827 N ILE A 52 9.330 1.336 11.543 1.00 0.00 N ATOM 828 CA ILE A 52 8.414 0.207 11.646 1.00 0.00 C ATOM 829 C ILE A 52 8.031 -0.318 10.267 1.00 0.00 C ATOM 830 O ILE A 52 8.567 0.125 9.252 1.00 0.00 O ATOM 831 CB ILE A 52 7.133 0.588 12.412 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.181 1.364 11.501 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.479 1.408 13.646 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.723 2.706 11.061 1.00 0.00 C ATOM 0 H ILE A 52 9.053 2.044 10.863 1.00 0.00 H new ATOM 0 HA ILE A 52 8.938 -0.574 12.197 1.00 0.00 H new ATOM 0 HB ILE A 52 6.634 -0.326 12.734 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.965 0.762 10.619 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.236 1.516 12.022 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.564 1.670 14.177 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.125 0.824 14.302 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.997 2.319 13.344 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.994 3.199 10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.913 3.327 11.937 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.653 2.560 10.511 1.00 0.00 H new ATOM 846 N ASN A 53 7.097 -1.263 10.238 1.00 0.00 N ATOM 847 CA ASN A 53 6.640 -1.847 8.982 1.00 0.00 C ATOM 848 C ASN A 53 5.412 -1.112 8.455 1.00 0.00 C ATOM 849 O ASN A 53 4.403 -1.731 8.118 1.00 0.00 O ATOM 850 CB ASN A 53 6.317 -3.331 9.174 1.00 0.00 C ATOM 851 CG ASN A 53 7.452 -4.088 9.834 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.575 -3.592 9.925 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.163 -5.299 10.298 1.00 0.00 N ATOM 0 H ASN A 53 6.642 -1.641 11.069 1.00 0.00 H new ATOM 0 HA ASN A 53 7.442 -1.748 8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.417 -3.429 9.781 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.098 -3.781 8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.886 -5.857 10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.218 -5.670 10.201 1.00 0.00 H new ATOM 860 N GLU A 54 5.505 0.213 8.388 1.00 0.00 N ATOM 861 CA GLU A 54 4.400 1.032 7.901 1.00 0.00 C ATOM 862 C GLU A 54 4.827 1.857 6.691 1.00 0.00 C ATOM 863 O GLU A 54 5.656 2.760 6.802 1.00 0.00 O ATOM 864 CB GLU A 54 3.896 1.956 9.011 1.00 0.00 C ATOM 865 CG GLU A 54 2.903 1.295 9.951 1.00 0.00 C ATOM 866 CD GLU A 54 1.763 2.215 10.339 1.00 0.00 C ATOM 867 OE1 GLU A 54 1.984 3.442 10.394 1.00 0.00 O ATOM 868 OE2 GLU A 54 0.649 1.707 10.588 1.00 0.00 O ATOM 0 H GLU A 54 6.333 0.741 8.664 1.00 0.00 H new ATOM 0 HA GLU A 54 3.592 0.366 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.748 2.313 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.428 2.831 8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.498 0.402 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.423 0.968 10.851 1.00 0.00 H new ATOM 875 N ALA A 55 4.255 1.540 5.535 1.00 0.00 N ATOM 876 CA ALA A 55 4.574 2.252 4.303 1.00 0.00 C ATOM 877 C ALA A 55 3.307 2.711 3.591 1.00 0.00 C ATOM 878 O ALA A 55 2.252 2.089 3.716 1.00 0.00 O ATOM 879 CB ALA A 55 5.410 1.372 3.385 1.00 0.00 C ATOM 0 H ALA A 55 3.568 0.794 5.425 1.00 0.00 H new ATOM 0 HA ALA A 55 5.153 3.138 4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.640 1.917 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.338 1.099 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.852 0.469 3.139 1.00 0.00 H new ATOM 885 N PHE A 56 3.418 3.804 2.841 1.00 0.00 N ATOM 886 CA PHE A 56 2.279 4.348 2.110 1.00 0.00 C ATOM 887 C PHE A 56 2.703 4.830 0.726 1.00 0.00 C ATOM 888 O PHE A 56 3.640 5.617 0.591 1.00 0.00 O ATOM 889 CB PHE A 56 1.646 5.500 2.892 1.00 0.00 C ATOM 890 CG PHE A 56 1.738 5.336 4.382 1.00 0.00 C ATOM 891 CD1 PHE A 56 2.856 5.773 5.073 1.00 0.00 C ATOM 892 CD2 PHE A 56 0.707 4.742 5.093 1.00 0.00 C ATOM 893 CE1 PHE A 56 2.945 5.623 6.443 1.00 0.00 C ATOM 894 CE2 PHE A 56 0.789 4.590 6.463 1.00 0.00 C ATOM 895 CZ PHE A 56 1.909 5.030 7.140 1.00 0.00 C ATOM 0 H PHE A 56 4.284 4.329 2.724 1.00 0.00 H new ATOM 0 HA PHE A 56 1.543 3.553 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.133 6.433 2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.597 5.588 2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.669 6.237 4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.171 4.394 4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.823 5.968 6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.023 4.127 7.005 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.975 4.911 8.211 1.00 0.00 H new ATOM 905 N ILE A 57 2.008 4.350 -0.300 1.00 0.00 N ATOM 906 CA ILE A 57 2.310 4.732 -1.674 1.00 0.00 C ATOM 907 C ILE A 57 1.221 5.632 -2.247 1.00 0.00 C ATOM 908 O ILE A 57 0.031 5.365 -2.082 1.00 0.00 O ATOM 909 CB ILE A 57 2.469 3.497 -2.580 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.670 2.660 -2.132 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.625 3.922 -4.031 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.628 1.231 -2.626 1.00 0.00 C ATOM 0 H ILE A 57 1.231 3.695 -0.205 1.00 0.00 H new ATOM 0 HA ILE A 57 3.253 5.278 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 57 1.571 2.884 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.585 3.132 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.716 2.658 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.736 3.038 -4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.743 4.480 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.508 4.553 -4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.509 0.697 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.730 0.742 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.614 1.223 -3.716 1.00 0.00 H new ATOM 924 N GLU A 58 1.637 6.699 -2.923 1.00 0.00 N ATOM 925 CA GLU A 58 0.697 7.638 -3.522 1.00 0.00 C ATOM 926 C GLU A 58 0.659 7.477 -5.039 1.00 0.00 C ATOM 927 O GLU A 58 1.670 7.658 -5.717 1.00 0.00 O ATOM 928 CB GLU A 58 1.076 9.075 -3.160 1.00 0.00 C ATOM 929 CG GLU A 58 0.006 10.094 -3.513 1.00 0.00 C ATOM 930 CD GLU A 58 -0.442 10.910 -2.315 1.00 0.00 C ATOM 931 OE1 GLU A 58 -0.251 10.443 -1.173 1.00 0.00 O ATOM 932 OE2 GLU A 58 -0.982 12.018 -2.521 1.00 0.00 O ATOM 0 H GLU A 58 2.619 6.934 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.295 7.421 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.279 9.130 -2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.000 9.338 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.388 10.765 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.855 9.578 -3.939 1.00 0.00 H new ATOM 939 N MET A 59 -0.514 7.137 -5.563 1.00 0.00 N ATOM 940 CA MET A 59 -0.684 6.952 -7.000 1.00 0.00 C ATOM 941 C MET A 59 -1.082 8.262 -7.672 1.00 0.00 C ATOM 942 O MET A 59 -1.640 9.154 -7.034 1.00 0.00 O ATOM 943 CB MET A 59 -1.740 5.881 -7.276 1.00 0.00 C ATOM 944 CG MET A 59 -1.409 4.529 -6.665 1.00 0.00 C ATOM 945 SD MET A 59 0.096 3.807 -7.347 1.00 0.00 S ATOM 946 CE MET A 59 -0.539 3.048 -8.840 1.00 0.00 C ATOM 0 H MET A 59 -1.360 6.984 -5.015 1.00 0.00 H new ATOM 0 HA MET A 59 0.270 6.626 -7.416 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.700 6.221 -6.888 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.855 5.765 -8.354 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.297 4.640 -5.586 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.242 3.846 -6.831 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.246 2.455 -9.309 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.381 2.402 -8.590 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.869 3.824 -9.530 1.00 0.00 H new ATOM 956 N ALA A 60 -0.793 8.369 -8.965 1.00 0.00 N ATOM 957 CA ALA A 60 -1.123 9.569 -9.724 1.00 0.00 C ATOM 958 C ALA A 60 -2.624 9.662 -9.980 1.00 0.00 C ATOM 959 O ALA A 60 -3.143 10.725 -10.323 1.00 0.00 O ATOM 960 CB ALA A 60 -0.360 9.589 -11.040 1.00 0.00 C ATOM 0 H ALA A 60 -0.331 7.640 -9.508 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.827 10.435 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.617 10.491 -11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.711 9.579 -10.840 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.627 8.712 -11.629 1.00 0.00 H new ATOM 966 N THR A 61 -3.318 8.540 -9.813 1.00 0.00 N ATOM 967 CA THR A 61 -4.759 8.493 -10.028 1.00 0.00 C ATOM 968 C THR A 61 -5.442 7.613 -8.987 1.00 0.00 C ATOM 969 O THR A 61 -5.140 6.424 -8.869 1.00 0.00 O ATOM 970 CB THR A 61 -5.100 7.965 -11.434 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.700 6.595 -11.554 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.411 8.796 -12.506 1.00 0.00 C ATOM 0 H THR A 61 -2.905 7.652 -9.529 1.00 0.00 H new ATOM 0 HA THR A 61 -5.126 9.515 -9.933 1.00 0.00 H new ATOM 0 HB THR A 61 -6.178 8.041 -11.575 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.751 6.551 -11.796 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.667 8.404 -13.490 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.741 9.832 -12.431 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.331 8.748 -12.366 1.00 0.00 H new ATOM 980 N THR A 62 -6.364 8.202 -8.234 1.00 0.00 N ATOM 981 CA THR A 62 -7.090 7.472 -7.202 1.00 0.00 C ATOM 982 C THR A 62 -7.591 6.131 -7.727 1.00 0.00 C ATOM 983 O THR A 62 -7.818 5.198 -6.957 1.00 0.00 O ATOM 984 CB THR A 62 -8.288 8.284 -6.675 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.025 7.510 -5.722 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.205 8.698 -7.816 1.00 0.00 C ATOM 0 H THR A 62 -6.626 9.184 -8.319 1.00 0.00 H new ATOM 0 HA THR A 62 -6.390 7.301 -6.384 1.00 0.00 H new ATOM 0 HB THR A 62 -7.904 9.183 -6.193 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.784 8.035 -5.391 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.044 9.270 -7.419 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.649 9.312 -8.525 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.580 7.809 -8.323 1.00 0.00 H new ATOM 994 N GLU A 63 -7.760 6.042 -9.042 1.00 0.00 N ATOM 995 CA GLU A 63 -8.235 4.814 -9.669 1.00 0.00 C ATOM 996 C GLU A 63 -7.234 3.679 -9.470 1.00 0.00 C ATOM 997 O GLU A 63 -7.618 2.532 -9.241 1.00 0.00 O ATOM 998 CB GLU A 63 -8.477 5.039 -11.164 1.00 0.00 C ATOM 999 CG GLU A 63 -9.658 5.948 -11.459 1.00 0.00 C ATOM 1000 CD GLU A 63 -10.992 5.284 -11.176 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -11.475 5.388 -10.030 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.551 4.660 -12.102 1.00 0.00 O ATOM 0 H GLU A 63 -7.575 6.805 -9.694 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.175 4.534 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.579 5.468 -11.608 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.642 4.075 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.573 6.854 -10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.624 6.254 -12.505 1.00 0.00 H new ATOM 1009 N ASP A 64 -5.951 4.009 -9.560 1.00 0.00 N ATOM 1010 CA ASP A 64 -4.893 3.018 -9.390 1.00 0.00 C ATOM 1011 C ASP A 64 -4.874 2.485 -7.961 1.00 0.00 C ATOM 1012 O ASP A 64 -5.138 1.306 -7.724 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.535 3.626 -9.740 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.539 4.320 -11.087 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.409 3.989 -11.920 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.673 5.190 -11.310 1.00 0.00 O ATOM 0 H ASP A 64 -5.617 4.954 -9.750 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.094 2.187 -10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.251 4.341 -8.968 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.779 2.841 -9.742 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.559 3.361 -7.012 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.506 2.977 -5.606 1.00 0.00 C ATOM 1023 C ALA A 65 -5.701 2.111 -5.228 1.00 0.00 C ATOM 1024 O ALA A 65 -5.541 1.023 -4.677 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.449 4.216 -4.724 1.00 0.00 C ATOM 0 H ALA A 65 -4.337 4.340 -7.191 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.602 2.389 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.410 3.916 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.559 4.796 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.337 4.825 -4.894 1.00 0.00 H new ATOM 1031 N GLN A 66 -6.901 2.602 -5.527 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.124 1.871 -5.216 1.00 0.00 C ATOM 1033 C GLN A 66 -8.081 0.464 -5.803 1.00 0.00 C ATOM 1034 O GLN A 66 -8.442 -0.507 -5.139 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.342 2.623 -5.752 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.704 3.855 -4.937 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.039 4.450 -5.338 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -11.912 3.752 -5.855 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.206 5.746 -5.102 1.00 0.00 N ATOM 0 H GLN A 66 -7.051 3.502 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.204 1.790 -4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.149 2.923 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.197 1.947 -5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.731 3.591 -3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.925 4.607 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.456 6.287 -4.672 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.084 6.201 -5.351 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.639 0.362 -7.052 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.548 -0.925 -7.728 1.00 0.00 C ATOM 1050 C ALA A 67 -6.547 -1.841 -7.032 1.00 0.00 C ATOM 1051 O ALA A 67 -6.773 -3.044 -6.910 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.164 -0.731 -9.187 1.00 0.00 C ATOM 0 H ALA A 67 -7.338 1.157 -7.616 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.528 -1.400 -7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.100 -1.702 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.919 -0.122 -9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.198 -0.230 -9.245 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.439 -1.263 -6.579 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.404 -2.028 -5.895 1.00 0.00 C ATOM 1060 C ALA A 68 -4.968 -2.745 -4.673 1.00 0.00 C ATOM 1061 O ALA A 68 -4.492 -3.816 -4.295 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.256 -1.115 -5.489 1.00 0.00 C ATOM 0 H ALA A 68 -5.235 -0.268 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.028 -2.783 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.490 -1.699 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.828 -0.652 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.627 -0.340 -4.819 1.00 0.00 H new ATOM 1068 N VAL A 69 -5.985 -2.149 -4.059 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.614 -2.731 -2.880 1.00 0.00 C ATOM 1070 C VAL A 69 -7.569 -3.855 -3.266 1.00 0.00 C ATOM 1071 O VAL A 69 -7.641 -4.882 -2.590 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.387 -1.671 -2.074 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.162 -2.322 -0.939 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.436 -0.610 -1.541 1.00 0.00 C ATOM 0 H VAL A 69 -6.391 -1.263 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.813 -3.134 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.102 -1.186 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.702 -1.557 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.872 -3.041 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.469 -2.836 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.999 0.131 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.696 -1.078 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.931 -0.122 -2.375 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.300 -3.656 -4.357 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.250 -4.654 -4.835 1.00 0.00 C ATOM 1086 C ASP A 70 -8.550 -5.980 -5.113 1.00 0.00 C ATOM 1087 O ASP A 70 -9.175 -7.041 -5.080 1.00 0.00 O ATOM 1088 CB ASP A 70 -9.950 -4.157 -6.100 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.433 -4.471 -6.103 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.194 -3.748 -5.427 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -11.833 -5.441 -6.780 1.00 0.00 O ATOM 0 H ASP A 70 -8.253 -2.812 -4.928 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.995 -4.814 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.810 -3.080 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.483 -4.613 -6.973 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.253 -5.913 -5.387 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.468 -7.109 -5.674 1.00 0.00 C ATOM 1098 C TYR A 71 -6.100 -7.840 -4.387 1.00 0.00 C ATOM 1099 O TYR A 71 -5.725 -9.012 -4.412 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.201 -6.739 -6.446 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.097 -7.765 -6.323 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.150 -8.960 -7.031 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.001 -7.540 -5.500 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.144 -9.901 -6.921 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -1.990 -8.474 -5.385 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.066 -9.653 -6.098 1.00 0.00 C ATOM 1107 OH TYR A 71 -1.061 -10.586 -5.986 1.00 0.00 O ATOM 0 H TYR A 71 -6.721 -5.043 -5.417 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.076 -7.775 -6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.451 -6.611 -7.499 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.834 -5.778 -6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.992 -9.156 -7.678 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.938 -6.619 -4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.202 -10.825 -7.477 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.145 -8.283 -4.741 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.376 -10.256 -5.368 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.211 -7.139 -3.264 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.888 -7.720 -1.966 1.00 0.00 C ATOM 1119 C TYR A 72 -7.091 -8.458 -1.384 1.00 0.00 C ATOM 1120 O TYR A 72 -6.940 -9.428 -0.642 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.425 -6.631 -0.998 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.763 -6.922 0.447 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.917 -7.693 1.236 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.926 -6.429 1.023 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.221 -7.962 2.557 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.238 -6.692 2.343 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.382 -7.460 3.105 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.690 -7.725 4.420 1.00 0.00 O ATOM 0 H TYR A 72 -6.522 -6.168 -3.226 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.080 -8.437 -2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.346 -6.507 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.881 -5.683 -1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.007 -8.088 0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.599 -5.829 0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.553 -8.562 3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.146 -6.299 2.776 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.541 -7.297 4.649 1.00 0.00 H new ATOM 1138 N THR A 73 -8.286 -7.989 -1.728 1.00 0.00 N ATOM 1139 CA THR A 73 -9.516 -8.600 -1.241 1.00 0.00 C ATOM 1140 C THR A 73 -9.867 -9.846 -2.046 1.00 0.00 C ATOM 1141 O THR A 73 -10.427 -10.806 -1.514 1.00 0.00 O ATOM 1142 CB THR A 73 -10.697 -7.614 -1.303 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.878 -8.230 -0.778 1.00 0.00 O ATOM 1144 CG2 THR A 73 -10.949 -7.161 -2.734 1.00 0.00 C ATOM 0 H THR A 73 -8.428 -7.187 -2.342 1.00 0.00 H new ATOM 0 HA THR A 73 -9.340 -8.879 -0.202 1.00 0.00 H new ATOM 0 HB THR A 73 -10.445 -6.741 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.624 -7.596 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.788 -6.465 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.058 -6.666 -3.121 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.182 -8.027 -3.354 1.00 0.00 H new ATOM 1152 N THR A 74 -9.533 -9.828 -3.333 1.00 0.00 N ATOM 1153 CA THR A 74 -9.813 -10.956 -4.212 1.00 0.00 C ATOM 1154 C THR A 74 -8.627 -11.913 -4.274 1.00 0.00 C ATOM 1155 O THR A 74 -8.793 -13.111 -4.501 1.00 0.00 O ATOM 1156 CB THR A 74 -10.154 -10.486 -5.638 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.142 -9.592 -6.115 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.507 -9.793 -5.670 1.00 0.00 C ATOM 0 H THR A 74 -9.068 -9.043 -3.790 1.00 0.00 H new ATOM 0 HA THR A 74 -10.674 -11.476 -3.793 1.00 0.00 H new ATOM 0 HB THR A 74 -10.197 -11.362 -6.285 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.296 -8.697 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.726 -9.470 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.279 -10.486 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.487 -8.926 -5.010 1.00 0.00 H new ATOM 1166 N THR A 75 -7.428 -11.376 -4.068 1.00 0.00 N ATOM 1167 CA THR A 75 -6.214 -12.181 -4.101 1.00 0.00 C ATOM 1168 C THR A 75 -5.276 -11.810 -2.959 1.00 0.00 C ATOM 1169 O THR A 75 -5.094 -10.637 -2.629 1.00 0.00 O ATOM 1170 CB THR A 75 -5.466 -12.015 -5.438 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.294 -12.455 -6.520 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.167 -12.806 -5.433 1.00 0.00 C ATOM 0 H THR A 75 -7.272 -10.386 -3.876 1.00 0.00 H new ATOM 0 HA THR A 75 -6.522 -13.221 -3.991 1.00 0.00 H new ATOM 0 HB THR A 75 -5.229 -10.959 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.812 -12.345 -7.366 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.657 -12.673 -6.387 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.527 -12.449 -4.626 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.385 -13.863 -5.282 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.665 -12.829 -2.338 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.735 -12.634 -1.223 1.00 0.00 C ATOM 1182 C PRO A 76 -2.425 -11.991 -1.666 1.00 0.00 C ATOM 1183 O PRO A 76 -1.728 -12.515 -2.535 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.487 -14.056 -0.714 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.749 -14.931 -1.892 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.836 -14.252 -2.678 1.00 0.00 C ATOM 0 HA PRO A 76 -4.141 -11.961 -0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.466 -14.175 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.150 -14.301 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.849 -15.053 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.059 -15.927 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.726 -14.425 -3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.824 -14.617 -2.396 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.095 -10.854 -1.063 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.868 -10.141 -1.395 1.00 0.00 C ATOM 1196 C ALA A 77 0.300 -10.636 -0.548 1.00 0.00 C ATOM 1197 O ALA A 77 0.559 -10.114 0.537 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.060 -8.643 -1.209 1.00 0.00 C ATOM 0 H ALA A 77 -2.661 -10.407 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.634 -10.338 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.135 -8.124 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.861 -8.295 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.322 -8.436 -0.171 1.00 0.00 H new ATOM 1204 N LEU A 78 1.003 -11.646 -1.050 1.00 0.00 N ATOM 1205 CA LEU A 78 2.143 -12.212 -0.338 1.00 0.00 C ATOM 1206 C LEU A 78 3.424 -11.454 -0.672 1.00 0.00 C ATOM 1207 O LEU A 78 3.956 -11.569 -1.776 1.00 0.00 O ATOM 1208 CB LEU A 78 2.306 -13.691 -0.692 1.00 0.00 C ATOM 1209 CG LEU A 78 1.164 -14.614 -0.263 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.531 -16.069 -0.510 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.821 -14.391 1.204 1.00 0.00 C ATOM 0 H LEU A 78 0.803 -12.089 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 78 1.955 -12.119 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.427 -13.774 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.229 -14.053 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 78 0.285 -14.376 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.706 -16.710 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.727 -16.220 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.423 -16.322 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.007 -15.056 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.696 -14.602 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.514 -13.356 1.353 1.00 0.00 H new ATOM 1223 N VAL A 79 3.915 -10.680 0.290 1.00 0.00 N ATOM 1224 CA VAL A 79 5.136 -9.905 0.100 1.00 0.00 C ATOM 1225 C VAL A 79 6.347 -10.640 0.662 1.00 0.00 C ATOM 1226 O VAL A 79 6.382 -10.990 1.842 1.00 0.00 O ATOM 1227 CB VAL A 79 5.032 -8.521 0.769 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.353 -7.776 0.660 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.902 -7.714 0.150 1.00 0.00 C ATOM 0 H VAL A 79 3.486 -10.573 1.209 1.00 0.00 H new ATOM 0 HA VAL A 79 5.263 -9.772 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 79 4.808 -8.663 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.261 -6.801 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.136 -8.350 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.610 -7.642 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.843 -6.739 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.092 -7.579 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.959 -8.244 0.286 1.00 0.00 H new ATOM 1239 N PHE A 80 7.339 -10.873 -0.190 1.00 0.00 N ATOM 1240 CA PHE A 80 8.553 -11.568 0.221 1.00 0.00 C ATOM 1241 C PHE A 80 8.257 -13.025 0.564 1.00 0.00 C ATOM 1242 O PHE A 80 9.135 -13.760 1.016 1.00 0.00 O ATOM 1243 CB PHE A 80 9.184 -10.867 1.426 1.00 0.00 C ATOM 1244 CG PHE A 80 10.364 -10.009 1.071 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.418 -10.527 0.335 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.421 -8.685 1.473 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.506 -9.741 0.005 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.506 -7.893 1.146 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.551 -8.422 0.413 1.00 0.00 C ATOM 0 H PHE A 80 7.326 -10.591 -1.170 1.00 0.00 H new ATOM 0 HA PHE A 80 9.254 -11.545 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.429 -10.249 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.497 -11.619 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.389 -11.558 0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.609 -8.266 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.319 -10.157 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.537 -6.861 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.401 -7.806 0.160 1.00 0.00 H new ATOM 1259 N GLY A 81 7.012 -13.437 0.346 1.00 0.00 N ATOM 1260 CA GLY A 81 6.620 -14.803 0.638 1.00 0.00 C ATOM 1261 C GLY A 81 5.536 -14.883 1.695 1.00 0.00 C ATOM 1262 O GLY A 81 4.833 -15.887 1.799 1.00 0.00 O ATOM 0 H GLY A 81 6.268 -12.849 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.267 -15.280 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.492 -15.364 0.974 1.00 0.00 H new ATOM 1266 N LYS A 82 5.400 -13.821 2.481 1.00 0.00 N ATOM 1267 CA LYS A 82 4.394 -13.773 3.536 1.00 0.00 C ATOM 1268 C LYS A 82 3.306 -12.755 3.206 1.00 0.00 C ATOM 1269 O LYS A 82 3.552 -11.737 2.560 1.00 0.00 O ATOM 1270 CB LYS A 82 5.046 -13.421 4.875 1.00 0.00 C ATOM 1271 CG LYS A 82 6.215 -12.459 4.749 1.00 0.00 C ATOM 1272 CD LYS A 82 7.487 -13.178 4.331 1.00 0.00 C ATOM 1273 CE LYS A 82 8.659 -12.803 5.225 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.765 -13.795 5.135 1.00 0.00 N ATOM 0 H LYS A 82 5.974 -12.981 2.408 1.00 0.00 H new ATOM 0 HA LYS A 82 3.935 -14.759 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.294 -12.982 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.391 -14.338 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.975 -11.687 4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.377 -11.955 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.327 -14.255 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.723 -12.930 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.031 -11.818 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.319 -12.731 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.544 -13.503 5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.417 -14.730 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.107 -13.846 4.154 1.00 0.00 H new ATOM 1288 N PRO A 83 2.076 -13.036 3.658 1.00 0.00 N ATOM 1289 CA PRO A 83 0.927 -12.157 3.424 1.00 0.00 C ATOM 1290 C PRO A 83 1.025 -10.853 4.210 1.00 0.00 C ATOM 1291 O PRO A 83 1.585 -10.818 5.305 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.262 -12.988 3.914 1.00 0.00 C ATOM 1293 CG PRO A 83 0.319 -13.928 4.913 1.00 0.00 C ATOM 1294 CD PRO A 83 1.711 -14.233 4.434 1.00 0.00 C ATOM 0 HA PRO A 83 0.852 -11.855 2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.028 -12.356 4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.734 -13.526 3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.338 -13.479 5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.277 -14.838 4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.395 -14.396 5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.736 -15.133 3.820 1.00 0.00 H new ATOM 1302 N VAL A 84 0.477 -9.783 3.643 1.00 0.00 N ATOM 1303 CA VAL A 84 0.501 -8.478 4.292 1.00 0.00 C ATOM 1304 C VAL A 84 -0.861 -7.796 4.205 1.00 0.00 C ATOM 1305 O VAL A 84 -1.832 -8.386 3.735 1.00 0.00 O ATOM 1306 CB VAL A 84 1.563 -7.558 3.661 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.937 -8.209 3.723 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.190 -7.217 2.227 1.00 0.00 C ATOM 0 H VAL A 84 0.011 -9.794 2.736 1.00 0.00 H new ATOM 0 HA VAL A 84 0.753 -8.649 5.339 1.00 0.00 H new ATOM 0 HB VAL A 84 1.600 -6.630 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.675 -7.545 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.204 -8.396 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.917 -9.153 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.952 -6.566 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.123 -8.133 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.227 -6.706 2.213 1.00 0.00 H new ATOM 1318 N ARG A 85 -0.923 -6.550 4.664 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.164 -5.788 4.641 1.00 0.00 C ATOM 1320 C ARG A 85 -2.102 -4.678 3.595 1.00 0.00 C ATOM 1321 O ARG A 85 -1.066 -4.038 3.417 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.447 -5.189 6.020 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.049 -6.180 7.002 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.885 -5.477 8.061 1.00 0.00 C ATOM 1325 NE ARG A 85 -5.239 -6.018 8.139 1.00 0.00 N ATOM 1326 CZ ARG A 85 -5.536 -7.175 8.720 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -4.579 -7.909 9.271 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -6.792 -7.601 8.750 1.00 0.00 N ATOM 0 H ARG A 85 -0.127 -6.047 5.056 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.973 -6.469 4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.518 -4.798 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.126 -4.344 5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.669 -6.896 6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.252 -6.747 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.399 -5.577 9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.933 -4.411 7.836 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.998 -5.478 7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.612 -7.586 9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.810 -8.797 9.716 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.531 -7.040 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.019 -8.490 9.196 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.218 -4.457 2.907 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.289 -3.425 1.879 1.00 0.00 C ATOM 1344 C VAL A 86 -4.604 -2.658 1.963 1.00 0.00 C ATOM 1345 O VAL A 86 -5.650 -3.150 1.537 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.146 -4.026 0.469 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.419 -2.970 -0.592 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.763 -4.633 0.287 1.00 0.00 C ATOM 0 H VAL A 86 -4.084 -4.978 3.043 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.460 -2.741 2.058 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.884 -4.820 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.313 -3.413 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.433 -2.587 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.707 -2.152 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.679 -5.053 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.006 -3.860 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.612 -5.421 1.025 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.545 -1.449 2.513 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.731 -0.613 2.651 1.00 0.00 C ATOM 1360 C HIS A 87 -5.567 0.694 1.881 1.00 0.00 C ATOM 1361 O HIS A 87 -4.470 1.030 1.435 1.00 0.00 O ATOM 1362 CB HIS A 87 -6.005 -0.318 4.127 1.00 0.00 C ATOM 1363 CG HIS A 87 -5.985 -1.539 4.995 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -6.223 -2.838 4.701 1.00 0.00 N flip ATOM 1365 CD2 HIS A 87 -5.696 -1.498 6.342 1.00 0.00 C flip ATOM 1366 CE1 HIS A 87 -6.073 -3.552 5.864 1.00 0.00 C flip ATOM 1367 NE2 HIS A 87 -5.754 -2.721 6.840 1.00 0.00 N flip ATOM 0 H HIS A 87 -3.688 -1.027 2.870 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.579 -1.157 2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.261 0.390 4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.977 0.167 4.218 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.459 -0.606 6.903 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.196 -4.620 5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.582 -2.979 7.812 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.665 1.427 1.728 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.643 2.697 1.011 1.00 0.00 C ATOM 1377 C LEU A 88 -6.797 3.869 1.975 1.00 0.00 C ATOM 1378 O LEU A 88 -7.865 4.473 2.067 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.757 2.733 -0.036 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.408 3.404 -1.365 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.185 4.895 -1.168 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.177 2.756 -1.983 1.00 0.00 C ATOM 0 H LEU A 88 -7.581 1.163 2.091 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.679 2.787 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.070 1.709 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.616 3.249 0.394 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.246 3.270 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.938 5.355 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.093 5.349 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.365 5.051 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.943 3.246 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.332 2.858 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.373 1.699 -2.162 1.00 0.00 H new