USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 65 GLN : amide:sc= 0 X(o=-0.55,f=-0.59) USER MOD Set 1.2: A 100 ASN : amide:sc= -0.552 K(o=-0.55,f=-2) USER MOD Set 2.1: A 78 THR OG1 : rot 168:sc= -5.1! USER MOD Set 2.2: A 80 GLN : amide:sc= -1.81 K(o=-13,f=-4.8) USER MOD Set 2.3: A 81 GLN : amide:sc= -5.89! C(o=-13!,f=-4.8!) USER MOD Set 3.1: A 35 SER OG : rot 170:sc=0.000217 USER MOD Set 3.2: A 47 SER OG : rot -170:sc= -1.07 USER MOD Single : A 22 HIS : no HD1:sc= -3.95! C(o=-3.9!,f=-5.1!) USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= -0.0448 (180deg=-0.383) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= 1.08 (180deg=0.473) USER MOD Single : A 29 SER OG : rot 41:sc= 0.75 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -150:sc= -0.454 USER MOD Single : A 53 SER OG : rot -130:sc= -1.38 USER MOD Single : A 56 HIS : no HD1:sc=-0.00489 X(o=-0.0049,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0434 K(o=-0.043,f=-0.64) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.59 K(o=-1.6,f=-6.9!) USER MOD Single : A 73 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.3!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.7!) USER MOD Single : A 89 GLN : amide:sc= -0.707 K(o=-0.71,f=0) USER MOD Single : A 90 CYS SG : rot 54:sc= -0.0131 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -4.24! C(o=-4.2!,f=-7.2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.729 -8.860 0.254 1.00 0.00 N ATOM 230 CA VAL A 17 -1.321 -7.509 0.602 1.00 0.00 C ATOM 231 C VAL A 17 -2.463 -6.811 1.342 1.00 0.00 C ATOM 232 O VAL A 17 -3.634 -7.062 1.062 1.00 0.00 O ATOM 233 CB VAL A 17 -0.874 -6.758 -0.654 1.00 0.00 C ATOM 234 CG1 VAL A 17 -2.034 -6.597 -1.638 1.00 0.00 C ATOM 235 CG2 VAL A 17 -0.269 -5.399 -0.293 1.00 0.00 C ATOM 0 HA VAL A 17 -0.463 -7.530 1.274 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.100 -7.351 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.690 -6.060 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.402 -7.580 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.839 -6.036 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.041 -4.885 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.013 -4.797 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.597 -5.546 0.353 1.00 0.00 H new ATOM 245 N GLU A 18 -2.083 -5.948 2.273 1.00 0.00 N ATOM 246 CA GLU A 18 -3.061 -5.212 3.055 1.00 0.00 C ATOM 247 C GLU A 18 -4.133 -4.616 2.140 1.00 0.00 C ATOM 248 O GLU A 18 -3.873 -3.657 1.415 1.00 0.00 O ATOM 249 CB GLU A 18 -2.386 -4.122 3.891 1.00 0.00 C ATOM 250 CG GLU A 18 -1.171 -4.676 4.636 1.00 0.00 C ATOM 251 CD GLU A 18 -1.294 -4.436 6.142 1.00 0.00 C ATOM 252 OE1 GLU A 18 -2.428 -4.579 6.649 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.252 -4.114 6.753 1.00 0.00 O ATOM 0 H GLU A 18 -1.111 -5.742 2.503 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.544 -5.906 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.077 -3.301 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.100 -3.713 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.077 -5.744 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.263 -4.202 4.262 1.00 0.00 H new ATOM 260 N GLU A 19 -5.316 -5.209 2.205 1.00 0.00 N ATOM 261 CA GLU A 19 -6.429 -4.749 1.391 1.00 0.00 C ATOM 262 C GLU A 19 -6.427 -3.222 1.304 1.00 0.00 C ATOM 263 O GLU A 19 -5.878 -2.547 2.173 1.00 0.00 O ATOM 264 CB GLU A 19 -7.760 -5.265 1.941 1.00 0.00 C ATOM 265 CG GLU A 19 -8.114 -6.625 1.334 1.00 0.00 C ATOM 266 CD GLU A 19 -9.499 -7.086 1.794 1.00 0.00 C ATOM 267 OE1 GLU A 19 -9.738 -7.030 3.019 1.00 0.00 O ATOM 268 OE2 GLU A 19 -10.286 -7.485 0.909 1.00 0.00 O ATOM 0 H GLU A 19 -5.528 -6.004 2.808 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.309 -5.151 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.700 -5.351 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.551 -4.548 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.091 -6.559 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.366 -7.363 1.624 1.00 0.00 H new ATOM 275 N PRO A 20 -7.064 -2.707 0.218 1.00 0.00 N ATOM 276 CA PRO A 20 -7.140 -1.272 0.005 1.00 0.00 C ATOM 277 C PRO A 20 -8.160 -0.632 0.950 1.00 0.00 C ATOM 278 O PRO A 20 -9.356 -0.902 0.854 1.00 0.00 O ATOM 279 CB PRO A 20 -7.506 -1.110 -1.461 1.00 0.00 C ATOM 280 CG PRO A 20 -8.074 -2.450 -1.899 1.00 0.00 C ATOM 281 CD PRO A 20 -7.725 -3.476 -0.833 1.00 0.00 C ATOM 0 HA PRO A 20 -6.201 -0.764 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.237 -0.313 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.632 -0.843 -2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.155 -2.383 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.658 -2.744 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.618 -3.976 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.069 -4.251 -1.229 1.00 0.00 H new ATOM 289 N ARG A 21 -7.649 0.205 1.841 1.00 0.00 N ATOM 290 CA ARG A 21 -8.500 0.886 2.802 1.00 0.00 C ATOM 291 C ARG A 21 -8.891 2.269 2.277 1.00 0.00 C ATOM 292 O ARG A 21 -8.369 2.722 1.260 1.00 0.00 O ATOM 293 CB ARG A 21 -7.794 1.041 4.150 1.00 0.00 C ATOM 294 CG ARG A 21 -6.758 2.166 4.101 1.00 0.00 C ATOM 295 CD ARG A 21 -5.860 2.140 5.340 1.00 0.00 C ATOM 296 NE ARG A 21 -6.498 2.893 6.443 1.00 0.00 N ATOM 297 CZ ARG A 21 -6.058 2.888 7.708 1.00 0.00 C ATOM 298 NH1 ARG A 21 -4.977 2.169 8.039 1.00 0.00 N ATOM 299 NH2 ARG A 21 -6.700 3.601 8.644 1.00 0.00 N ATOM 0 H ARG A 21 -6.656 0.427 1.918 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.395 0.279 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.529 1.252 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.306 0.104 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.148 2.064 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.265 3.129 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.681 1.110 5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.889 2.576 5.105 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.324 3.450 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.489 1.625 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.642 2.166 9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.524 4.148 8.393 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.365 3.597 9.607 1.00 0.00 H new ATOM 313 N HIS A 22 -9.808 2.901 2.995 1.00 0.00 N ATOM 314 CA HIS A 22 -10.276 4.223 2.615 1.00 0.00 C ATOM 315 C HIS A 22 -9.923 5.228 3.714 1.00 0.00 C ATOM 316 O HIS A 22 -10.719 5.466 4.621 1.00 0.00 O ATOM 317 CB HIS A 22 -11.771 4.198 2.292 1.00 0.00 C ATOM 318 CG HIS A 22 -12.139 3.272 1.158 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.681 1.969 1.075 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.926 3.474 0.062 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.176 1.421 -0.025 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.946 2.355 -0.652 1.00 0.00 N ATOM 0 H HIS A 22 -10.239 2.522 3.838 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.772 4.543 1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.320 3.899 3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.095 5.208 2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.445 4.389 -0.183 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.000 0.411 -0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.454 2.217 -1.526 1.00 0.00 H new ATOM 330 N VAL A 23 -8.729 5.790 3.596 1.00 0.00 N ATOM 331 CA VAL A 23 -8.262 6.764 4.567 1.00 0.00 C ATOM 332 C VAL A 23 -9.013 8.081 4.366 1.00 0.00 C ATOM 333 O VAL A 23 -8.970 8.665 3.284 1.00 0.00 O ATOM 334 CB VAL A 23 -6.743 6.920 4.463 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.255 8.106 5.296 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.030 5.630 4.874 1.00 0.00 C ATOM 0 H VAL A 23 -8.071 5.589 2.843 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.472 6.422 5.581 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.498 7.121 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.172 8.194 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.725 9.021 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.519 7.949 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.952 5.768 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.286 5.385 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.343 4.817 4.219 1.00 0.00 H new ATOM 346 N LYS A 24 -9.684 8.511 5.424 1.00 0.00 N ATOM 347 CA LYS A 24 -10.444 9.749 5.376 1.00 0.00 C ATOM 348 C LYS A 24 -9.527 10.919 5.738 1.00 0.00 C ATOM 349 O LYS A 24 -8.476 10.724 6.346 1.00 0.00 O ATOM 350 CB LYS A 24 -11.689 9.647 6.260 1.00 0.00 C ATOM 351 CG LYS A 24 -12.964 9.834 5.435 1.00 0.00 C ATOM 352 CD LYS A 24 -13.499 11.261 5.568 1.00 0.00 C ATOM 353 CE LYS A 24 -14.968 11.257 5.996 1.00 0.00 C ATOM 354 NZ LYS A 24 -15.118 10.640 7.332 1.00 0.00 N ATOM 0 H LYS A 24 -9.717 8.024 6.320 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.812 9.932 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.710 8.675 6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.645 10.402 7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.759 9.615 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.723 9.125 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.905 11.810 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.395 11.783 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.350 12.278 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.564 10.708 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.942 11.053 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.256 9.615 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.262 10.818 7.895 1.00 0.00 H new ATOM 368 N VAL A 25 -9.958 12.109 5.347 1.00 0.00 N ATOM 369 CA VAL A 25 -9.190 13.311 5.622 1.00 0.00 C ATOM 370 C VAL A 25 -10.144 14.447 5.997 1.00 0.00 C ATOM 371 O VAL A 25 -11.258 14.522 5.482 1.00 0.00 O ATOM 372 CB VAL A 25 -8.299 13.649 4.424 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.179 14.610 4.827 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.730 12.378 3.790 1.00 0.00 C ATOM 0 H VAL A 25 -10.830 12.266 4.842 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.524 13.152 6.471 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.916 14.149 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.561 14.834 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.613 15.533 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.564 14.149 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.101 12.645 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.135 11.839 4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.548 11.744 3.449 1.00 0.00 H new ATOM 384 N GLN A 26 -9.671 15.304 6.890 1.00 0.00 N ATOM 385 CA GLN A 26 -10.468 16.433 7.340 1.00 0.00 C ATOM 386 C GLN A 26 -9.709 17.742 7.113 1.00 0.00 C ATOM 387 O GLN A 26 -9.521 18.523 8.044 1.00 0.00 O ATOM 388 CB GLN A 26 -10.862 16.275 8.809 1.00 0.00 C ATOM 389 CG GLN A 26 -9.791 15.506 9.585 1.00 0.00 C ATOM 390 CD GLN A 26 -9.821 15.872 11.070 1.00 0.00 C ATOM 391 OE1 GLN A 26 -9.019 16.649 11.561 1.00 0.00 O ATOM 392 NE2 GLN A 26 -10.788 15.270 11.757 1.00 0.00 N ATOM 0 H GLN A 26 -8.746 15.239 7.314 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.386 16.462 6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.006 17.258 9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.814 15.750 8.879 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.951 14.434 9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.807 15.729 9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.427 14.630 11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.891 15.448 12.756 1.00 0.00 H new ATOM 401 N LYS A 27 -9.295 17.941 5.871 1.00 0.00 N ATOM 402 CA LYS A 27 -8.561 19.142 5.510 1.00 0.00 C ATOM 403 C LYS A 27 -9.152 20.339 6.256 1.00 0.00 C ATOM 404 O LYS A 27 -8.494 20.929 7.112 1.00 0.00 O ATOM 405 CB LYS A 27 -8.533 19.317 3.990 1.00 0.00 C ATOM 406 CG LYS A 27 -7.779 18.168 3.319 1.00 0.00 C ATOM 407 CD LYS A 27 -6.607 18.693 2.487 1.00 0.00 C ATOM 408 CE LYS A 27 -6.495 17.937 1.161 1.00 0.00 C ATOM 409 NZ LYS A 27 -5.813 18.771 0.146 1.00 0.00 N ATOM 0 H LYS A 27 -9.454 17.291 5.101 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.518 19.058 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.552 19.360 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.057 20.265 3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.410 17.478 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.460 17.605 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.742 19.757 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.680 18.587 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.942 17.010 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.489 17.662 0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.259 18.161 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.522 19.294 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.178 19.445 0.620 1.00 0.00 H new ATOM 423 N GLY A 28 -10.388 20.663 5.905 1.00 0.00 N ATOM 424 CA GLY A 28 -11.076 21.780 6.531 1.00 0.00 C ATOM 425 C GLY A 28 -10.614 23.111 5.936 1.00 0.00 C ATOM 426 O GLY A 28 -11.418 23.861 5.384 1.00 0.00 O ATOM 0 H GLY A 28 -10.931 20.172 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.152 21.671 6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.887 21.772 7.605 1.00 0.00 H new ATOM 430 N SER A 29 -9.321 23.365 6.069 1.00 0.00 N ATOM 431 CA SER A 29 -8.742 24.594 5.552 1.00 0.00 C ATOM 432 C SER A 29 -7.217 24.477 5.510 1.00 0.00 C ATOM 433 O SER A 29 -6.509 25.451 5.761 1.00 0.00 O ATOM 434 CB SER A 29 -9.159 25.798 6.398 1.00 0.00 C ATOM 435 OG SER A 29 -10.346 26.413 5.903 1.00 0.00 O ATOM 0 H SER A 29 -8.657 22.741 6.527 1.00 0.00 H new ATOM 0 HA SER A 29 -9.116 24.749 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.318 25.480 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.351 26.529 6.412 1.00 0.00 H new ATOM 0 HG SER A 29 -10.983 25.721 5.629 1.00 0.00 H new ATOM 441 N GLU A 30 -6.756 23.276 5.191 1.00 0.00 N ATOM 442 CA GLU A 30 -5.328 23.020 5.113 1.00 0.00 C ATOM 443 C GLU A 30 -5.037 21.951 4.057 1.00 0.00 C ATOM 444 O GLU A 30 -5.865 21.075 3.811 1.00 0.00 O ATOM 445 CB GLU A 30 -4.770 22.609 6.477 1.00 0.00 C ATOM 446 CG GLU A 30 -4.727 23.802 7.434 1.00 0.00 C ATOM 447 CD GLU A 30 -5.894 23.755 8.422 1.00 0.00 C ATOM 448 OE1 GLU A 30 -6.114 22.662 8.988 1.00 0.00 O ATOM 449 OE2 GLU A 30 -6.539 24.812 8.589 1.00 0.00 O ATOM 0 H GLU A 30 -7.346 22.470 4.984 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.829 23.942 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.388 21.818 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.767 22.200 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.784 23.801 7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.765 24.731 6.865 1.00 0.00 H new ATOM 456 N PRO A 31 -3.828 22.062 3.445 1.00 0.00 N ATOM 457 CA PRO A 31 -3.418 21.116 2.422 1.00 0.00 C ATOM 458 C PRO A 31 -3.020 19.775 3.042 1.00 0.00 C ATOM 459 O PRO A 31 -2.688 19.708 4.224 1.00 0.00 O ATOM 460 CB PRO A 31 -2.271 21.797 1.693 1.00 0.00 C ATOM 461 CG PRO A 31 -1.776 22.891 2.625 1.00 0.00 C ATOM 462 CD PRO A 31 -2.822 23.086 3.711 1.00 0.00 C ATOM 0 HA PRO A 31 -4.223 20.871 1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.475 21.087 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.605 22.215 0.743 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.817 22.614 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.619 23.819 2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.389 22.967 4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.254 24.086 3.670 1.00 0.00 H new ATOM 470 N LEU A 32 -3.067 18.740 2.216 1.00 0.00 N ATOM 471 CA LEU A 32 -2.716 17.405 2.668 1.00 0.00 C ATOM 472 C LEU A 32 -1.303 17.425 3.255 1.00 0.00 C ATOM 473 O LEU A 32 -1.114 17.146 4.438 1.00 0.00 O ATOM 474 CB LEU A 32 -2.898 16.390 1.537 1.00 0.00 C ATOM 475 CG LEU A 32 -3.294 14.975 1.963 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.461 15.006 2.951 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.597 14.101 0.745 1.00 0.00 C ATOM 0 H LEU A 32 -3.343 18.799 1.236 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.388 17.084 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.659 16.769 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.966 16.331 0.975 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.447 14.524 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.722 13.987 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.172 15.570 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.322 15.483 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.876 13.100 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.419 14.538 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.712 14.040 0.111 1.00 0.00 H new ATOM 489 N GLY A 33 -0.347 17.756 2.400 1.00 0.00 N ATOM 490 CA GLY A 33 1.043 17.817 2.818 1.00 0.00 C ATOM 491 C GLY A 33 1.711 16.445 2.701 1.00 0.00 C ATOM 492 O GLY A 33 2.237 15.921 3.682 1.00 0.00 O ATOM 0 H GLY A 33 -0.508 17.985 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.580 18.540 2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.102 18.167 3.848 1.00 0.00 H new ATOM 496 N ILE A 34 1.668 15.902 1.493 1.00 0.00 N ATOM 497 CA ILE A 34 2.262 14.602 1.235 1.00 0.00 C ATOM 498 C ILE A 34 2.878 14.596 -0.165 1.00 0.00 C ATOM 499 O ILE A 34 2.245 15.028 -1.127 1.00 0.00 O ATOM 500 CB ILE A 34 1.236 13.490 1.460 1.00 0.00 C ATOM 501 CG1 ILE A 34 -0.091 13.820 0.772 1.00 0.00 C ATOM 502 CG2 ILE A 34 1.052 13.206 2.952 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.366 12.853 -0.381 1.00 0.00 C ATOM 0 H ILE A 34 1.231 16.339 0.682 1.00 0.00 H new ATOM 0 HA ILE A 34 3.070 14.406 1.940 1.00 0.00 H new ATOM 0 HB ILE A 34 1.618 12.577 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.903 13.768 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.065 14.843 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.317 12.412 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.004 12.895 3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.704 14.109 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.315 13.110 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.436 12.925 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.415 11.834 0.003 1.00 0.00 H new ATOM 515 N SER A 35 4.105 14.101 -0.235 1.00 0.00 N ATOM 516 CA SER A 35 4.814 14.034 -1.502 1.00 0.00 C ATOM 517 C SER A 35 4.367 12.799 -2.286 1.00 0.00 C ATOM 518 O SER A 35 4.013 11.779 -1.696 1.00 0.00 O ATOM 519 CB SER A 35 6.328 14.005 -1.285 1.00 0.00 C ATOM 520 OG SER A 35 7.032 14.627 -2.356 1.00 0.00 O ATOM 0 H SER A 35 4.626 13.742 0.565 1.00 0.00 H new ATOM 0 HA SER A 35 4.574 14.929 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.570 14.510 -0.350 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.660 12.972 -1.184 1.00 0.00 H new ATOM 0 HG SER A 35 7.975 14.733 -2.110 1.00 0.00 H new ATOM 526 N ILE A 36 4.397 12.931 -3.604 1.00 0.00 N ATOM 527 CA ILE A 36 3.999 11.838 -4.475 1.00 0.00 C ATOM 528 C ILE A 36 4.981 11.741 -5.645 1.00 0.00 C ATOM 529 O ILE A 36 5.569 12.742 -6.052 1.00 0.00 O ATOM 530 CB ILE A 36 2.541 12.002 -4.909 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.368 13.236 -5.797 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.609 12.035 -3.696 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.469 12.863 -7.278 1.00 0.00 C ATOM 0 H ILE A 36 4.691 13.778 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 36 4.044 10.889 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 36 2.263 11.134 -5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.401 13.698 -5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.130 13.975 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.579 12.152 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.705 11.104 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.879 12.873 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.343 13.757 -7.888 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.446 12.423 -7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.690 12.142 -7.526 1.00 0.00 H new ATOM 545 N VAL A 37 5.128 10.526 -6.152 1.00 0.00 N ATOM 546 CA VAL A 37 6.029 10.284 -7.267 1.00 0.00 C ATOM 547 C VAL A 37 5.394 9.269 -8.219 1.00 0.00 C ATOM 548 O VAL A 37 4.632 8.403 -7.791 1.00 0.00 O ATOM 549 CB VAL A 37 7.398 9.841 -6.747 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.842 10.707 -5.566 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.387 8.359 -6.367 1.00 0.00 C ATOM 0 H VAL A 37 4.639 9.698 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 37 6.192 11.202 -7.832 1.00 0.00 H new ATOM 0 HB VAL A 37 8.121 9.975 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.818 10.371 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.909 11.748 -5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.116 10.620 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.372 8.070 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.645 8.189 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.136 7.761 -7.243 1.00 0.00 H new ATOM 561 N SER A 38 5.731 9.409 -9.493 1.00 0.00 N ATOM 562 CA SER A 38 5.204 8.515 -10.509 1.00 0.00 C ATOM 563 C SER A 38 6.259 7.475 -10.891 1.00 0.00 C ATOM 564 O SER A 38 7.453 7.771 -10.895 1.00 0.00 O ATOM 565 CB SER A 38 4.753 9.293 -11.747 1.00 0.00 C ATOM 566 OG SER A 38 4.238 8.433 -12.760 1.00 0.00 O ATOM 0 H SER A 38 6.363 10.129 -9.844 1.00 0.00 H new ATOM 0 HA SER A 38 4.334 8.005 -10.096 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.989 10.016 -11.462 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.595 9.859 -12.146 1.00 0.00 H new ATOM 0 HG SER A 38 3.959 8.968 -13.533 1.00 0.00 H new ATOM 572 N GLY A 39 5.781 6.280 -11.202 1.00 0.00 N ATOM 573 CA GLY A 39 6.669 5.194 -11.584 1.00 0.00 C ATOM 574 C GLY A 39 6.782 5.089 -13.106 1.00 0.00 C ATOM 575 O GLY A 39 5.871 5.488 -13.829 1.00 0.00 O ATOM 0 H GLY A 39 4.790 6.039 -11.198 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.657 5.358 -11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.296 4.254 -11.178 1.00 0.00 H new ATOM 623 N GLY A 43 1.171 4.734 -11.915 1.00 0.00 N ATOM 624 CA GLY A 43 0.863 4.647 -10.497 1.00 0.00 C ATOM 625 C GLY A 43 1.567 5.756 -9.714 1.00 0.00 C ATOM 626 O GLY A 43 2.635 6.220 -10.112 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.215 4.721 -10.350 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.171 3.674 -10.113 1.00 0.00 H new ATOM 630 N ILE A 44 0.941 6.150 -8.615 1.00 0.00 N ATOM 631 CA ILE A 44 1.495 7.197 -7.773 1.00 0.00 C ATOM 632 C ILE A 44 1.831 6.615 -6.398 1.00 0.00 C ATOM 633 O ILE A 44 1.075 5.807 -5.861 1.00 0.00 O ATOM 634 CB ILE A 44 0.547 8.397 -7.717 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.201 8.888 -9.124 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.128 9.514 -6.848 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.383 9.626 -9.755 1.00 0.00 C ATOM 0 H ILE A 44 0.056 5.763 -8.288 1.00 0.00 H new ATOM 0 HA ILE A 44 2.426 7.574 -8.197 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.384 8.076 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.079 8.041 -9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.663 9.550 -9.079 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.435 10.355 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.283 9.143 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.081 9.841 -7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.109 9.964 -10.754 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.645 10.487 -9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.238 8.954 -9.821 1.00 0.00 H new ATOM 649 N TYR A 45 2.966 7.048 -5.869 1.00 0.00 N ATOM 650 CA TYR A 45 3.411 6.580 -4.568 1.00 0.00 C ATOM 651 C TYR A 45 3.844 7.751 -3.683 1.00 0.00 C ATOM 652 O TYR A 45 4.415 8.725 -4.172 1.00 0.00 O ATOM 653 CB TYR A 45 4.622 5.683 -4.834 1.00 0.00 C ATOM 654 CG TYR A 45 4.322 4.486 -5.739 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.217 4.662 -7.104 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.157 3.230 -5.191 1.00 0.00 C ATOM 657 CE1 TYR A 45 3.935 3.536 -7.956 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.874 2.104 -6.043 1.00 0.00 C ATOM 659 CZ TYR A 45 3.777 2.313 -7.384 1.00 0.00 C ATOM 660 OH TYR A 45 3.511 1.249 -8.188 1.00 0.00 O ATOM 0 H TYR A 45 3.591 7.718 -6.318 1.00 0.00 H new ATOM 0 HA TYR A 45 2.606 6.055 -4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.411 6.281 -5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.007 5.318 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.346 5.645 -7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.240 3.092 -4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.851 3.660 -9.026 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.742 1.116 -5.627 1.00 0.00 H new ATOM 0 HH TYR A 45 3.424 0.440 -7.642 1.00 0.00 H new ATOM 670 N VAL A 46 3.557 7.616 -2.397 1.00 0.00 N ATOM 671 CA VAL A 46 3.910 8.651 -1.439 1.00 0.00 C ATOM 672 C VAL A 46 5.433 8.743 -1.333 1.00 0.00 C ATOM 673 O VAL A 46 6.105 7.739 -1.101 1.00 0.00 O ATOM 674 CB VAL A 46 3.232 8.373 -0.096 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.756 9.318 0.988 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.711 8.469 -0.219 1.00 0.00 C ATOM 0 H VAL A 46 3.084 6.806 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 46 3.549 9.623 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 46 3.480 7.354 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.258 9.100 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.831 9.179 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.553 10.350 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.254 8.267 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.435 9.471 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.358 7.738 -0.946 1.00 0.00 H new ATOM 686 N SER A 47 5.934 9.957 -1.507 1.00 0.00 N ATOM 687 CA SER A 47 7.366 10.194 -1.433 1.00 0.00 C ATOM 688 C SER A 47 7.743 10.689 -0.035 1.00 0.00 C ATOM 689 O SER A 47 8.883 10.525 0.398 1.00 0.00 O ATOM 690 CB SER A 47 7.812 11.204 -2.492 1.00 0.00 C ATOM 691 OG SER A 47 8.598 12.253 -1.932 1.00 0.00 O ATOM 0 H SER A 47 5.374 10.787 -1.699 1.00 0.00 H new ATOM 0 HA SER A 47 7.879 9.253 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.388 10.691 -3.262 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.935 11.629 -2.980 1.00 0.00 H new ATOM 0 HG SER A 47 8.730 12.956 -2.602 1.00 0.00 H new ATOM 697 N LYS A 48 6.765 11.284 0.631 1.00 0.00 N ATOM 698 CA LYS A 48 6.981 11.804 1.971 1.00 0.00 C ATOM 699 C LYS A 48 5.708 12.503 2.452 1.00 0.00 C ATOM 700 O LYS A 48 4.745 12.636 1.699 1.00 0.00 O ATOM 701 CB LYS A 48 8.223 12.696 2.006 1.00 0.00 C ATOM 702 CG LYS A 48 9.120 12.340 3.193 1.00 0.00 C ATOM 703 CD LYS A 48 10.566 12.121 2.742 1.00 0.00 C ATOM 704 CE LYS A 48 11.503 13.141 3.392 1.00 0.00 C ATOM 705 NZ LYS A 48 12.681 12.463 3.978 1.00 0.00 N ATOM 0 H LYS A 48 5.821 11.418 0.268 1.00 0.00 H new ATOM 0 HA LYS A 48 7.182 10.990 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.782 12.584 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.922 13.742 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.083 13.139 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.746 11.438 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.883 11.112 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.629 12.204 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.828 13.870 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.970 13.691 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.307 13.170 4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.367 11.784 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.198 11.958 3.230 1.00 0.00 H new ATOM 719 N VAL A 49 5.745 12.932 3.705 1.00 0.00 N ATOM 720 CA VAL A 49 4.606 13.615 4.297 1.00 0.00 C ATOM 721 C VAL A 49 4.997 15.056 4.628 1.00 0.00 C ATOM 722 O VAL A 49 6.018 15.551 4.153 1.00 0.00 O ATOM 723 CB VAL A 49 4.105 12.836 5.515 1.00 0.00 C ATOM 724 CG1 VAL A 49 2.612 13.080 5.744 1.00 0.00 C ATOM 725 CG2 VAL A 49 4.401 11.342 5.371 1.00 0.00 C ATOM 0 H VAL A 49 6.546 12.820 4.327 1.00 0.00 H new ATOM 0 HA VAL A 49 3.776 13.658 3.591 1.00 0.00 H new ATOM 0 HB VAL A 49 4.643 13.200 6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.280 12.515 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.439 14.143 5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.052 12.756 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.035 10.812 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.903 10.957 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.477 11.191 5.279 1.00 0.00 H new ATOM 735 N THR A 50 4.164 15.690 5.440 1.00 0.00 N ATOM 736 CA THR A 50 4.409 17.065 5.841 1.00 0.00 C ATOM 737 C THR A 50 4.574 17.157 7.359 1.00 0.00 C ATOM 738 O THR A 50 4.932 18.210 7.885 1.00 0.00 O ATOM 739 CB THR A 50 3.265 17.926 5.301 1.00 0.00 C ATOM 740 OG1 THR A 50 3.689 18.282 3.987 1.00 0.00 O ATOM 741 CG2 THR A 50 3.146 19.265 6.030 1.00 0.00 C ATOM 0 H THR A 50 3.318 15.276 5.831 1.00 0.00 H new ATOM 0 HA THR A 50 5.343 17.439 5.421 1.00 0.00 H new ATOM 0 HB THR A 50 2.326 17.380 5.390 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.313 19.155 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.319 19.837 5.608 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.961 19.087 7.089 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.073 19.827 5.913 1.00 0.00 H new ATOM 749 N VAL A 51 4.306 16.040 8.020 1.00 0.00 N ATOM 750 CA VAL A 51 4.421 15.982 9.467 1.00 0.00 C ATOM 751 C VAL A 51 3.435 16.971 10.093 1.00 0.00 C ATOM 752 O VAL A 51 3.292 18.096 9.616 1.00 0.00 O ATOM 753 CB VAL A 51 5.870 16.234 9.888 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.040 16.061 11.399 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.831 15.325 9.120 1.00 0.00 C ATOM 0 H VAL A 51 4.010 15.169 7.580 1.00 0.00 H new ATOM 0 HA VAL A 51 4.160 14.988 9.831 1.00 0.00 H new ATOM 0 HB VAL A 51 6.116 17.266 9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.079 16.246 11.672 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.396 16.769 11.921 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.766 15.045 11.682 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.854 15.525 9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.585 14.282 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.739 15.519 8.051 1.00 0.00 H new ATOM 765 N GLY A 52 2.782 16.516 11.152 1.00 0.00 N ATOM 766 CA GLY A 52 1.814 17.347 11.847 1.00 0.00 C ATOM 767 C GLY A 52 0.892 18.062 10.857 1.00 0.00 C ATOM 768 O GLY A 52 0.442 19.177 11.117 1.00 0.00 O ATOM 0 H GLY A 52 2.904 15.583 11.546 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.220 16.732 12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.335 18.082 12.460 1.00 0.00 H new ATOM 772 N SER A 53 0.640 17.391 9.743 1.00 0.00 N ATOM 773 CA SER A 53 -0.220 17.948 8.712 1.00 0.00 C ATOM 774 C SER A 53 -1.443 17.052 8.510 1.00 0.00 C ATOM 775 O SER A 53 -1.471 15.917 8.984 1.00 0.00 O ATOM 776 CB SER A 53 0.539 18.117 7.394 1.00 0.00 C ATOM 777 OG SER A 53 0.500 19.461 6.924 1.00 0.00 O ATOM 0 H SER A 53 1.016 16.467 9.531 1.00 0.00 H new ATOM 0 HA SER A 53 -0.551 18.934 9.038 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.576 17.811 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.109 17.457 6.641 1.00 0.00 H new ATOM 0 HG SER A 53 0.224 19.471 5.984 1.00 0.00 H new ATOM 783 N ILE A 54 -2.425 17.595 7.806 1.00 0.00 N ATOM 784 CA ILE A 54 -3.648 16.859 7.535 1.00 0.00 C ATOM 785 C ILE A 54 -3.307 15.390 7.278 1.00 0.00 C ATOM 786 O ILE A 54 -3.797 14.503 7.976 1.00 0.00 O ATOM 787 CB ILE A 54 -4.429 17.517 6.396 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.826 18.950 6.760 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.640 16.670 6.000 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.712 18.973 8.007 1.00 0.00 C ATOM 0 H ILE A 54 -2.399 18.537 7.415 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.309 16.887 8.401 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.778 17.574 5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.930 19.546 6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.356 19.408 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.177 17.161 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.304 15.687 5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.302 16.558 6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.980 20.003 8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.618 18.396 7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.170 18.537 8.846 1.00 0.00 H new ATOM 802 N ALA A 55 -2.469 15.177 6.274 1.00 0.00 N ATOM 803 CA ALA A 55 -2.057 13.830 5.916 1.00 0.00 C ATOM 804 C ALA A 55 -1.703 13.055 7.186 1.00 0.00 C ATOM 805 O ALA A 55 -2.366 12.076 7.526 1.00 0.00 O ATOM 806 CB ALA A 55 -0.889 13.899 4.930 1.00 0.00 C ATOM 0 H ALA A 55 -2.064 15.914 5.697 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.870 13.298 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.580 12.889 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.201 14.434 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.053 14.424 5.393 1.00 0.00 H new ATOM 812 N HIS A 56 -0.658 13.522 7.854 1.00 0.00 N ATOM 813 CA HIS A 56 -0.207 12.885 9.079 1.00 0.00 C ATOM 814 C HIS A 56 -1.418 12.449 9.907 1.00 0.00 C ATOM 815 O HIS A 56 -1.466 11.323 10.399 1.00 0.00 O ATOM 816 CB HIS A 56 0.740 13.804 9.853 1.00 0.00 C ATOM 817 CG HIS A 56 1.678 13.075 10.785 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.378 12.837 12.115 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.911 12.535 10.566 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.392 12.182 12.662 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.341 11.997 11.701 1.00 0.00 N ATOM 0 H HIS A 56 -0.111 14.334 7.569 1.00 0.00 H new ATOM 0 HA HIS A 56 0.366 11.990 8.837 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.329 14.384 9.142 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.149 14.514 10.431 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.447 12.544 9.628 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.455 11.853 13.689 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.235 11.523 11.832 1.00 0.00 H new ATOM 829 N GLN A 57 -2.367 13.365 10.035 1.00 0.00 N ATOM 830 CA GLN A 57 -3.575 13.090 10.794 1.00 0.00 C ATOM 831 C GLN A 57 -4.342 11.923 10.168 1.00 0.00 C ATOM 832 O GLN A 57 -4.779 11.015 10.872 1.00 0.00 O ATOM 833 CB GLN A 57 -4.457 14.336 10.891 1.00 0.00 C ATOM 834 CG GLN A 57 -3.629 15.566 11.271 1.00 0.00 C ATOM 835 CD GLN A 57 -4.508 16.641 11.913 1.00 0.00 C ATOM 836 OE1 GLN A 57 -4.764 17.691 11.346 1.00 0.00 O ATOM 837 NE2 GLN A 57 -4.954 16.323 13.125 1.00 0.00 N ATOM 0 H GLN A 57 -2.324 14.298 9.626 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.288 12.808 11.807 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.955 14.509 9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.239 14.176 11.634 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.838 15.277 11.963 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.143 15.971 10.383 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.702 15.427 13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.548 16.975 13.637 1.00 0.00 H new ATOM 846 N ALA A 58 -4.480 11.987 8.851 1.00 0.00 N ATOM 847 CA ALA A 58 -5.186 10.947 8.123 1.00 0.00 C ATOM 848 C ALA A 58 -4.465 9.612 8.321 1.00 0.00 C ATOM 849 O ALA A 58 -5.035 8.551 8.070 1.00 0.00 O ATOM 850 CB ALA A 58 -5.292 11.339 6.648 1.00 0.00 C ATOM 0 H ALA A 58 -4.115 12.742 8.271 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.201 10.833 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.822 10.559 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.838 12.278 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.292 11.459 6.231 1.00 0.00 H new ATOM 856 N GLY A 59 -3.222 9.708 8.769 1.00 0.00 N ATOM 857 CA GLY A 59 -2.417 8.521 9.003 1.00 0.00 C ATOM 858 C GLY A 59 -1.862 7.967 7.690 1.00 0.00 C ATOM 859 O GLY A 59 -1.978 6.774 7.417 1.00 0.00 O ATOM 0 H GLY A 59 -2.752 10.589 8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.595 8.762 9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.021 7.759 9.497 1.00 0.00 H new ATOM 863 N LEU A 60 -1.269 8.861 6.911 1.00 0.00 N ATOM 864 CA LEU A 60 -0.695 8.476 5.633 1.00 0.00 C ATOM 865 C LEU A 60 0.820 8.327 5.783 1.00 0.00 C ATOM 866 O LEU A 60 1.450 9.076 6.527 1.00 0.00 O ATOM 867 CB LEU A 60 -1.111 9.464 4.540 1.00 0.00 C ATOM 868 CG LEU A 60 -2.614 9.589 4.285 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.913 10.737 3.319 1.00 0.00 C ATOM 870 CD2 LEU A 60 -3.200 8.262 3.798 1.00 0.00 C ATOM 0 H LEU A 60 -1.174 9.850 7.141 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.081 7.506 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.724 10.449 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.628 9.169 3.608 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.102 9.829 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.989 10.804 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.552 11.674 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.412 10.553 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.270 8.379 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.712 7.968 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.037 7.493 4.553 1.00 0.00 H new ATOM 882 N GLU A 61 1.361 7.354 5.064 1.00 0.00 N ATOM 883 CA GLU A 61 2.790 7.097 5.108 1.00 0.00 C ATOM 884 C GLU A 61 3.330 6.856 3.697 1.00 0.00 C ATOM 885 O GLU A 61 2.559 6.737 2.746 1.00 0.00 O ATOM 886 CB GLU A 61 3.106 5.914 6.026 1.00 0.00 C ATOM 887 CG GLU A 61 2.637 4.597 5.405 1.00 0.00 C ATOM 888 CD GLU A 61 1.998 3.691 6.459 1.00 0.00 C ATOM 889 OE1 GLU A 61 0.845 3.988 6.838 1.00 0.00 O ATOM 890 OE2 GLU A 61 2.677 2.721 6.861 1.00 0.00 O ATOM 0 H GLU A 61 0.835 6.734 4.448 1.00 0.00 H new ATOM 0 HA GLU A 61 3.285 7.976 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.179 5.870 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.620 6.058 6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.918 4.801 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.483 4.086 4.945 1.00 0.00 H new ATOM 897 N TYR A 62 4.650 6.790 3.606 1.00 0.00 N ATOM 898 CA TYR A 62 5.302 6.565 2.327 1.00 0.00 C ATOM 899 C TYR A 62 5.042 5.144 1.822 1.00 0.00 C ATOM 900 O TYR A 62 4.792 4.236 2.613 1.00 0.00 O ATOM 901 CB TYR A 62 6.801 6.736 2.582 1.00 0.00 C ATOM 902 CG TYR A 62 7.669 6.549 1.336 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.865 5.286 0.815 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.256 7.642 0.733 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.682 5.109 -0.357 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.073 7.466 -0.440 1.00 0.00 C ATOM 907 CZ TYR A 62 9.246 6.208 -0.927 1.00 0.00 C ATOM 908 OH TYR A 62 10.017 6.042 -2.034 1.00 0.00 O ATOM 0 H TYR A 62 5.286 6.888 4.397 1.00 0.00 H new ATOM 0 HA TYR A 62 4.924 7.259 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.979 7.731 2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.114 6.019 3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.405 4.430 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.103 8.630 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.844 4.126 -0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.538 8.314 -0.922 1.00 0.00 H new ATOM 0 HH TYR A 62 10.353 6.913 -2.333 1.00 0.00 H new ATOM 918 N GLY A 63 5.109 4.996 0.507 1.00 0.00 N ATOM 919 CA GLY A 63 4.884 3.702 -0.113 1.00 0.00 C ATOM 920 C GLY A 63 3.400 3.493 -0.424 1.00 0.00 C ATOM 921 O GLY A 63 3.054 2.825 -1.397 1.00 0.00 O ATOM 0 H GLY A 63 5.316 5.752 -0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.466 3.629 -1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.235 2.911 0.550 1.00 0.00 H new ATOM 925 N ASP A 64 2.563 4.078 0.421 1.00 0.00 N ATOM 926 CA ASP A 64 1.125 3.964 0.248 1.00 0.00 C ATOM 927 C ASP A 64 0.751 4.394 -1.172 1.00 0.00 C ATOM 928 O ASP A 64 0.687 5.586 -1.467 1.00 0.00 O ATOM 929 CB ASP A 64 0.380 4.872 1.229 1.00 0.00 C ATOM 930 CG ASP A 64 -0.135 4.176 2.491 1.00 0.00 C ATOM 931 OD1 ASP A 64 0.488 3.162 2.873 1.00 0.00 O ATOM 932 OD2 ASP A 64 -1.139 4.674 3.044 1.00 0.00 O ATOM 0 H ASP A 64 2.853 4.632 1.227 1.00 0.00 H new ATOM 0 HA ASP A 64 0.844 2.927 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.044 5.684 1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.466 5.325 0.711 1.00 0.00 H new ATOM 937 N GLN A 65 0.513 3.399 -2.013 1.00 0.00 N ATOM 938 CA GLN A 65 0.147 3.659 -3.395 1.00 0.00 C ATOM 939 C GLN A 65 -1.286 4.191 -3.473 1.00 0.00 C ATOM 940 O GLN A 65 -2.230 3.502 -3.090 1.00 0.00 O ATOM 941 CB GLN A 65 0.312 2.402 -4.252 1.00 0.00 C ATOM 942 CG GLN A 65 0.641 2.766 -5.701 1.00 0.00 C ATOM 943 CD GLN A 65 0.434 1.566 -6.628 1.00 0.00 C ATOM 944 OE1 GLN A 65 0.846 0.453 -6.346 1.00 0.00 O ATOM 945 NE2 GLN A 65 -0.225 1.854 -7.747 1.00 0.00 N ATOM 0 H GLN A 65 0.566 2.411 -1.764 1.00 0.00 H new ATOM 0 HA GLN A 65 0.819 4.420 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.106 1.779 -3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.605 1.813 -4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.009 3.593 -6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.674 3.108 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.542 2.808 -7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.413 1.121 -8.431 1.00 0.00 H new ATOM 954 N LEU A 66 -1.402 5.413 -3.972 1.00 0.00 N ATOM 955 CA LEU A 66 -2.704 6.046 -4.105 1.00 0.00 C ATOM 956 C LEU A 66 -3.471 5.387 -5.252 1.00 0.00 C ATOM 957 O LEU A 66 -3.156 5.605 -6.421 1.00 0.00 O ATOM 958 CB LEU A 66 -2.550 7.560 -4.258 1.00 0.00 C ATOM 959 CG LEU A 66 -1.587 8.239 -3.282 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.092 9.575 -3.839 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.226 8.396 -1.901 1.00 0.00 C ATOM 0 H LEU A 66 -0.617 5.981 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.294 5.899 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.215 7.770 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.533 8.018 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.714 7.597 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.409 10.036 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.572 9.406 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.942 10.236 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.520 8.881 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.126 9.005 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.487 7.414 -1.507 1.00 0.00 H new ATOM 973 N LEU A 67 -4.464 4.593 -4.879 1.00 0.00 N ATOM 974 CA LEU A 67 -5.280 3.901 -5.862 1.00 0.00 C ATOM 975 C LEU A 67 -6.341 4.860 -6.405 1.00 0.00 C ATOM 976 O LEU A 67 -6.491 5.002 -7.618 1.00 0.00 O ATOM 977 CB LEU A 67 -5.859 2.615 -5.268 1.00 0.00 C ATOM 978 CG LEU A 67 -4.864 1.477 -5.034 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.562 0.254 -4.435 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.110 1.134 -6.320 1.00 0.00 C ATOM 0 H LEU A 67 -4.722 4.413 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.671 3.587 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.332 2.859 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.645 2.253 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.124 1.814 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.833 -0.541 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.015 0.524 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.337 -0.094 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.409 0.322 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.820 0.824 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.562 2.011 -6.666 1.00 0.00 H new ATOM 992 N GLU A 68 -7.049 5.493 -5.481 1.00 0.00 N ATOM 993 CA GLU A 68 -8.091 6.434 -5.852 1.00 0.00 C ATOM 994 C GLU A 68 -8.221 7.528 -4.790 1.00 0.00 C ATOM 995 O GLU A 68 -8.180 7.245 -3.594 1.00 0.00 O ATOM 996 CB GLU A 68 -9.426 5.718 -6.068 1.00 0.00 C ATOM 997 CG GLU A 68 -9.324 4.700 -7.205 1.00 0.00 C ATOM 998 CD GLU A 68 -10.710 4.352 -7.755 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.527 3.848 -6.955 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -10.919 4.598 -8.962 1.00 0.00 O ATOM 0 H GLU A 68 -6.921 5.372 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.811 6.902 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.725 5.214 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.202 6.449 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.702 5.103 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.834 3.795 -6.845 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.375 8.755 -5.266 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.512 9.893 -4.372 1.00 0.00 C ATOM 1009 C PHE A 69 -9.942 10.434 -4.389 1.00 0.00 C ATOM 1010 O PHE A 69 -10.348 11.098 -5.342 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.562 10.978 -4.883 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.718 12.325 -4.174 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.622 13.233 -4.630 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.954 12.614 -3.087 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.767 14.483 -3.972 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -7.099 13.864 -2.429 1.00 0.00 C ATOM 1017 CZ PHE A 69 -8.003 14.772 -2.886 1.00 0.00 C ATOM 0 H PHE A 69 -8.408 8.986 -6.259 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.278 9.595 -3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.535 10.633 -4.764 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.729 11.119 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.230 13.003 -5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.237 11.893 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.485 15.204 -4.335 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.492 14.094 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.114 15.723 -2.386 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.668 10.131 -3.322 1.00 0.00 N ATOM 1028 CA ASN A 70 -12.045 10.580 -3.202 1.00 0.00 C ATOM 1029 C ASN A 70 -12.854 10.050 -4.387 1.00 0.00 C ATOM 1030 O ASN A 70 -13.941 10.550 -4.674 1.00 0.00 O ATOM 1031 CB ASN A 70 -12.130 12.107 -3.216 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.826 12.630 -1.958 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.362 11.881 -1.158 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.788 13.953 -1.828 1.00 0.00 N ATOM 0 H ASN A 70 -10.329 9.580 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.441 10.206 -2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.128 12.530 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.675 12.436 -4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.225 14.399 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.322 14.522 -2.535 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.294 9.044 -5.043 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.951 8.441 -6.190 1.00 0.00 C ATOM 1043 C GLY A 71 -12.034 8.452 -7.415 1.00 0.00 C ATOM 1044 O GLY A 71 -11.921 7.450 -8.119 1.00 0.00 O ATOM 0 H GLY A 71 -11.393 8.632 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.235 7.416 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.870 8.983 -6.414 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.402 9.596 -7.631 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.499 9.751 -8.758 1.00 0.00 C ATOM 1050 C ILE A 72 -9.651 8.485 -8.904 1.00 0.00 C ATOM 1051 O ILE A 72 -9.406 7.782 -7.926 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.673 11.030 -8.612 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.479 12.256 -9.049 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.347 10.917 -9.367 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.454 13.341 -7.970 1.00 0.00 C ATOM 0 H ILE A 72 -11.498 10.425 -7.044 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.062 9.867 -9.684 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.432 11.162 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.070 12.653 -9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.509 11.965 -9.253 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.780 11.840 -9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.771 10.082 -8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.544 10.748 -10.426 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -11.034 14.201 -8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.886 12.949 -7.049 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.424 13.647 -7.786 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.227 8.234 -10.134 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.412 7.066 -10.421 1.00 0.00 C ATOM 1069 C ASN A 73 -6.948 7.490 -10.550 1.00 0.00 C ATOM 1070 O ASN A 73 -6.585 8.207 -11.482 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.832 6.411 -11.738 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.990 4.898 -11.572 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.461 4.289 -10.657 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -9.747 4.328 -12.506 1.00 0.00 N ATOM 0 H ASN A 73 -9.433 8.820 -10.943 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.545 6.354 -9.606 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.773 6.843 -12.079 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.088 6.620 -12.506 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.914 3.322 -12.483 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.160 4.897 -13.245 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.146 7.029 -9.601 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.729 7.352 -9.597 1.00 0.00 C ATOM 1083 C LEU A 74 -3.999 6.437 -10.582 1.00 0.00 C ATOM 1084 O LEU A 74 -3.105 6.880 -11.301 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.171 7.294 -8.174 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.149 8.618 -7.407 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.192 9.616 -8.063 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -5.561 9.190 -7.260 1.00 0.00 C ATOM 0 H LEU A 74 -6.450 6.435 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.570 8.376 -9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.760 6.576 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.153 6.907 -8.220 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.773 8.424 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.195 10.548 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.184 9.201 -8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.514 9.810 -9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.517 10.131 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.987 9.366 -8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.186 8.482 -6.716 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.407 5.176 -10.582 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.802 4.194 -11.467 1.00 0.00 C ATOM 1102 C ARG A 75 -3.529 4.813 -12.839 1.00 0.00 C ATOM 1103 O ARG A 75 -2.519 4.508 -13.471 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.710 2.974 -11.637 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.280 1.837 -10.707 1.00 0.00 C ATOM 1106 CD ARG A 75 -3.306 0.891 -11.412 1.00 0.00 C ATOM 1107 NE ARG A 75 -3.977 -0.394 -11.712 1.00 0.00 N ATOM 1108 CZ ARG A 75 -3.538 -1.278 -12.618 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -2.425 -1.021 -13.319 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -4.211 -2.418 -12.823 1.00 0.00 N ATOM 0 H ARG A 75 -5.149 4.812 -9.984 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.863 3.874 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.742 3.252 -11.424 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.678 2.634 -12.672 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.810 2.250 -9.815 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.157 1.281 -10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.946 1.347 -12.334 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.434 0.717 -10.781 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.827 -0.621 -11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.913 -0.153 -13.163 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.090 -1.694 -14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.058 -2.613 -12.289 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.876 -3.091 -13.513 1.00 0.00 H new ATOM 1124 N SER A 76 -4.447 5.672 -13.259 1.00 0.00 N ATOM 1125 CA SER A 76 -4.318 6.336 -14.544 1.00 0.00 C ATOM 1126 C SER A 76 -4.086 7.834 -14.338 1.00 0.00 C ATOM 1127 O SER A 76 -4.746 8.661 -14.967 1.00 0.00 O ATOM 1128 CB SER A 76 -5.557 6.105 -15.411 1.00 0.00 C ATOM 1129 OG SER A 76 -5.504 4.858 -16.098 1.00 0.00 O ATOM 0 H SER A 76 -5.283 5.923 -12.731 1.00 0.00 H new ATOM 0 HA SER A 76 -3.460 5.910 -15.064 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.448 6.136 -14.785 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.648 6.914 -16.135 1.00 0.00 H new ATOM 0 HG SER A 76 -6.314 4.748 -16.639 1.00 0.00 H new ATOM 1135 N ALA A 77 -3.146 8.139 -13.455 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.819 9.523 -13.158 1.00 0.00 C ATOM 1137 C ALA A 77 -1.304 9.716 -13.250 1.00 0.00 C ATOM 1138 O ALA A 77 -0.576 8.784 -13.587 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.372 9.895 -11.780 1.00 0.00 C ATOM 0 H ALA A 77 -2.601 7.451 -12.936 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.281 10.191 -13.885 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.126 10.933 -11.558 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.455 9.769 -11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.929 9.247 -11.023 1.00 0.00 H new ATOM 1145 N THR A 78 -0.875 10.931 -12.944 1.00 0.00 N ATOM 1146 CA THR A 78 0.541 11.258 -12.988 1.00 0.00 C ATOM 1147 C THR A 78 0.942 12.056 -11.746 1.00 0.00 C ATOM 1148 O THR A 78 0.103 12.358 -10.899 1.00 0.00 O ATOM 1149 CB THR A 78 0.815 11.996 -14.300 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.088 13.099 -14.273 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.383 11.191 -15.527 1.00 0.00 C ATOM 0 H THR A 78 -1.482 11.701 -12.665 1.00 0.00 H new ATOM 0 HA THR A 78 1.156 10.358 -12.970 1.00 0.00 H new ATOM 0 HB THR A 78 1.878 12.224 -14.372 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.154 13.737 -14.977 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.600 11.761 -16.431 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.928 10.247 -15.553 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.687 10.991 -15.472 1.00 0.00 H new ATOM 1159 N GLU A 79 2.227 12.375 -11.677 1.00 0.00 N ATOM 1160 CA GLU A 79 2.750 13.132 -10.552 1.00 0.00 C ATOM 1161 C GLU A 79 2.205 14.562 -10.576 1.00 0.00 C ATOM 1162 O GLU A 79 1.928 15.141 -9.527 1.00 0.00 O ATOM 1163 CB GLU A 79 4.280 13.128 -10.553 1.00 0.00 C ATOM 1164 CG GLU A 79 4.828 13.314 -11.970 1.00 0.00 C ATOM 1165 CD GLU A 79 6.245 13.890 -11.939 1.00 0.00 C ATOM 1166 OE1 GLU A 79 7.067 13.332 -11.180 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.474 14.874 -12.674 1.00 0.00 O ATOM 0 H GLU A 79 2.920 12.123 -12.381 1.00 0.00 H new ATOM 0 HA GLU A 79 2.419 12.653 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.650 13.926 -9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.645 12.188 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.832 12.356 -12.491 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.173 13.980 -12.532 1.00 0.00 H new ATOM 1174 N GLN A 80 2.069 15.090 -11.783 1.00 0.00 N ATOM 1175 CA GLN A 80 1.563 16.440 -11.957 1.00 0.00 C ATOM 1176 C GLN A 80 0.083 16.506 -11.571 1.00 0.00 C ATOM 1177 O GLN A 80 -0.354 17.464 -10.935 1.00 0.00 O ATOM 1178 CB GLN A 80 1.778 16.926 -13.391 1.00 0.00 C ATOM 1179 CG GLN A 80 0.753 16.303 -14.341 1.00 0.00 C ATOM 1180 CD GLN A 80 1.186 16.467 -15.799 1.00 0.00 C ATOM 1181 OE1 GLN A 80 1.864 17.411 -16.170 1.00 0.00 O ATOM 1182 NE2 GLN A 80 0.758 15.498 -16.603 1.00 0.00 N ATOM 0 H GLN A 80 2.301 14.607 -12.651 1.00 0.00 H new ATOM 0 HA GLN A 80 2.121 17.104 -11.297 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.698 18.013 -13.426 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.786 16.669 -13.718 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.634 15.244 -14.110 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.219 16.773 -14.192 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.194 14.736 -16.228 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.994 15.517 -17.595 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.646 15.476 -11.973 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.067 15.405 -11.678 1.00 0.00 C ATOM 1193 C GLN A 81 -2.287 15.136 -10.188 1.00 0.00 C ATOM 1194 O GLN A 81 -3.006 15.878 -9.519 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.753 14.338 -12.534 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.276 14.937 -13.841 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.287 14.703 -14.985 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -1.599 15.603 -15.439 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -2.255 13.448 -15.425 1.00 0.00 N ATOM 0 H GLN A 81 -0.280 14.684 -12.501 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.517 16.367 -11.925 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.049 13.535 -12.754 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.578 13.895 -11.977 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.239 14.491 -14.090 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.444 16.006 -13.714 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.858 12.743 -15.000 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.628 13.191 -16.187 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.655 14.074 -9.711 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.772 13.698 -8.312 1.00 0.00 C ATOM 1210 C ALA A 82 -1.599 14.942 -7.438 1.00 0.00 C ATOM 1211 O ALA A 82 -2.467 15.260 -6.626 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.746 12.610 -7.988 1.00 0.00 C ATOM 0 H ALA A 82 -1.060 13.461 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.760 13.286 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.834 12.328 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.931 11.738 -8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.258 12.988 -8.179 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.474 15.613 -7.635 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.176 16.815 -6.875 1.00 0.00 C ATOM 1220 C ARG A 83 -1.335 17.808 -6.977 1.00 0.00 C ATOM 1221 O ARG A 83 -1.531 18.633 -6.086 1.00 0.00 O ATOM 1222 CB ARG A 83 1.105 17.482 -7.380 1.00 0.00 C ATOM 1223 CG ARG A 83 2.345 16.752 -6.861 1.00 0.00 C ATOM 1224 CD ARG A 83 3.615 17.285 -7.528 1.00 0.00 C ATOM 1225 NE ARG A 83 4.777 17.089 -6.633 1.00 0.00 N ATOM 1226 CZ ARG A 83 6.016 17.519 -6.906 1.00 0.00 C ATOM 1227 NH1 ARG A 83 6.262 18.173 -8.049 1.00 0.00 N ATOM 1228 NH2 ARG A 83 7.010 17.296 -6.035 1.00 0.00 N ATOM 0 H ARG A 83 0.243 15.347 -8.310 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.034 16.523 -5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.111 17.487 -8.470 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.129 18.523 -7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.418 16.875 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.250 15.683 -7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.783 16.769 -8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.498 18.344 -7.759 1.00 0.00 H new ATOM 0 HE ARG A 83 4.625 16.596 -5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.506 18.344 -8.712 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.206 18.500 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.823 16.799 -5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.953 17.623 -6.243 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.073 17.697 -8.072 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.208 18.575 -8.303 1.00 0.00 C ATOM 1244 C LEU A 84 -4.449 17.983 -7.633 1.00 0.00 C ATOM 1245 O LEU A 84 -5.261 18.713 -7.067 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.384 18.841 -9.799 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.423 19.859 -10.417 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -2.278 19.632 -11.923 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -2.858 21.290 -10.093 1.00 0.00 C ATOM 0 H LEU A 84 -1.907 17.012 -8.809 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.034 19.550 -7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.273 17.896 -10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.404 19.184 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.438 19.713 -9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.590 20.369 -12.337 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.889 18.630 -12.104 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.252 19.735 -12.402 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.158 21.994 -10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.857 21.466 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.869 21.431 -9.012 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.558 16.665 -7.719 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.687 15.967 -7.129 1.00 0.00 C ATOM 1263 C ILE A 85 -5.634 16.116 -5.607 1.00 0.00 C ATOM 1264 O ILE A 85 -6.519 16.725 -5.008 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.726 14.513 -7.603 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.825 14.436 -9.128 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -6.854 13.742 -6.915 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.496 13.028 -9.629 1.00 0.00 C ATOM 0 H ILE A 85 -3.882 16.062 -8.189 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.625 16.411 -7.461 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.789 14.035 -7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.830 14.713 -9.445 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.140 15.155 -9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.859 12.711 -7.270 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.697 13.754 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.810 14.211 -7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.574 13.001 -10.716 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.481 12.764 -9.331 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.198 12.315 -9.197 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.587 15.550 -5.025 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.407 15.612 -3.584 1.00 0.00 C ATOM 1282 C ILE A 86 -4.450 17.073 -3.132 1.00 0.00 C ATOM 1283 O ILE A 86 -4.722 17.358 -1.967 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.130 14.878 -3.172 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.886 15.631 -3.648 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.147 13.429 -3.664 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.681 14.693 -3.747 1.00 0.00 C ATOM 0 H ILE A 86 -3.854 15.046 -5.525 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.222 15.096 -3.075 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.090 14.848 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.080 16.083 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.662 16.444 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.228 12.930 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.003 12.909 -3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.223 13.415 -4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.190 15.254 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.474 14.261 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.899 13.895 -4.457 1.00 0.00 H new ATOM 1299 N GLY A 87 -4.176 17.960 -4.078 1.00 0.00 N ATOM 1300 CA GLY A 87 -4.180 19.385 -3.791 1.00 0.00 C ATOM 1301 C GLY A 87 -5.547 20.001 -4.093 1.00 0.00 C ATOM 1302 O GLY A 87 -5.686 21.223 -4.137 1.00 0.00 O ATOM 0 H GLY A 87 -3.950 17.720 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.926 19.549 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.414 19.882 -4.386 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.524 19.128 -4.293 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.875 19.571 -4.589 1.00 0.00 C ATOM 1308 C GLN A 88 -8.431 20.394 -3.425 1.00 0.00 C ATOM 1309 O GLN A 88 -7.718 20.677 -2.464 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.785 18.382 -4.903 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.486 17.814 -6.292 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.603 18.161 -7.279 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.751 18.353 -6.914 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.203 18.231 -8.546 1.00 0.00 N ATOM 0 H GLN A 88 -6.406 18.116 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.842 20.206 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.647 17.605 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.828 18.694 -4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.538 18.212 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.374 16.732 -6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.226 18.059 -8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.873 18.457 -9.281 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.700 20.755 -3.550 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.359 21.540 -2.521 1.00 0.00 C ATOM 1325 C GLN A 89 -11.567 20.782 -1.967 1.00 0.00 C ATOM 1326 O GLN A 89 -12.516 20.500 -2.696 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.773 22.912 -3.058 1.00 0.00 C ATOM 1328 CG GLN A 89 -9.815 23.383 -4.154 1.00 0.00 C ATOM 1329 CD GLN A 89 -10.419 23.163 -5.543 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -11.303 23.878 -5.984 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.894 22.135 -6.204 1.00 0.00 N ATOM 0 H GLN A 89 -10.289 20.518 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.652 21.703 -1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.787 22.861 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.785 23.637 -2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.590 24.440 -4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.872 22.843 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.155 21.577 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.230 21.905 -7.139 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.491 20.472 -0.681 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.566 19.751 -0.020 1.00 0.00 C ATOM 1342 C CYS A 90 -12.232 19.650 1.470 1.00 0.00 C ATOM 1343 O CYS A 90 -11.222 19.056 1.844 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.794 18.375 -0.648 1.00 0.00 C ATOM 1345 SG CYS A 90 -14.196 18.448 -1.823 1.00 0.00 S ATOM 0 H CYS A 90 -10.702 20.707 -0.079 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.502 20.295 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.892 18.048 -1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.999 17.640 0.131 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.994 19.404 -2.681 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.100 20.239 2.279 1.00 0.00 N ATOM 1352 CA ASP A 91 -12.910 20.223 3.720 1.00 0.00 C ATOM 1353 C ASP A 91 -12.539 18.807 4.165 1.00 0.00 C ATOM 1354 O ASP A 91 -11.538 18.610 4.852 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.192 20.628 4.449 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.391 22.135 4.620 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -13.720 22.884 3.876 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -15.208 22.505 5.490 1.00 0.00 O ATOM 0 H ASP A 91 -13.937 20.730 1.964 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.118 20.931 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.045 20.224 3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.194 20.162 5.435 1.00 0.00 H new ATOM 1363 N THR A 92 -13.367 17.857 3.755 1.00 0.00 N ATOM 1364 CA THR A 92 -13.139 16.465 4.103 1.00 0.00 C ATOM 1365 C THR A 92 -13.107 15.598 2.843 1.00 0.00 C ATOM 1366 O THR A 92 -14.123 15.440 2.168 1.00 0.00 O ATOM 1367 CB THR A 92 -14.220 16.044 5.102 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.328 17.157 5.986 1.00 0.00 O ATOM 1369 CG2 THR A 92 -13.767 14.894 6.005 1.00 0.00 C ATOM 0 H THR A 92 -14.196 18.024 3.185 1.00 0.00 H new ATOM 0 HA THR A 92 -12.167 16.331 4.577 1.00 0.00 H new ATOM 0 HB THR A 92 -15.119 15.748 4.561 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.009 16.970 6.666 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.570 14.634 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.520 14.027 5.393 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.888 15.201 6.572 1.00 0.00 H new ATOM 1377 N ILE A 93 -11.929 15.060 2.564 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.751 14.213 1.397 1.00 0.00 C ATOM 1379 C ILE A 93 -11.231 12.844 1.839 1.00 0.00 C ATOM 1380 O ILE A 93 -10.496 12.742 2.820 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.858 14.905 0.365 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.017 13.884 -0.405 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.992 15.981 1.022 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.759 13.508 0.378 1.00 0.00 C ATOM 0 H ILE A 93 -11.088 15.194 3.126 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.706 14.046 0.899 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.500 15.406 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.610 12.990 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.737 14.296 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.367 16.457 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.633 16.730 1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.358 15.524 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.180 12.781 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.156 14.400 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.043 13.074 1.337 1.00 0.00 H new ATOM 1396 N THR A 94 -11.635 11.824 1.095 1.00 0.00 N ATOM 1397 CA THR A 94 -11.219 10.466 1.399 1.00 0.00 C ATOM 1398 C THR A 94 -10.106 10.023 0.447 1.00 0.00 C ATOM 1399 O THR A 94 -9.899 10.635 -0.599 1.00 0.00 O ATOM 1400 CB THR A 94 -12.458 9.569 1.343 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.480 10.351 1.954 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.334 8.343 2.250 1.00 0.00 C ATOM 0 H THR A 94 -12.246 11.911 0.283 1.00 0.00 H new ATOM 0 HA THR A 94 -10.794 10.397 2.400 1.00 0.00 H new ATOM 0 HB THR A 94 -12.626 9.245 0.316 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.320 9.846 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.239 7.740 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.474 7.748 1.942 1.00 0.00 H new ATOM 0 HG23 THR A 94 -12.200 8.666 3.282 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.417 8.964 0.846 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.330 8.432 0.042 1.00 0.00 C ATOM 1412 C ILE A 95 -8.360 6.903 0.097 1.00 0.00 C ATOM 1413 O ILE A 95 -8.664 6.322 1.138 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.995 9.037 0.479 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.748 10.379 -0.213 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.845 8.054 0.250 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.915 11.308 0.673 1.00 0.00 C ATOM 0 H ILE A 95 -9.590 8.460 1.716 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.456 8.716 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.043 9.231 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.233 10.215 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.702 10.852 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.908 8.510 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.022 7.146 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.785 7.805 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.754 12.255 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.444 11.490 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.953 10.842 0.885 1.00 0.00 H new ATOM 1429 N LEU A 96 -8.041 6.295 -1.036 1.00 0.00 N ATOM 1430 CA LEU A 96 -8.028 4.846 -1.129 1.00 0.00 C ATOM 1431 C LEU A 96 -6.588 4.364 -1.313 1.00 0.00 C ATOM 1432 O LEU A 96 -6.122 4.204 -2.440 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.980 4.371 -2.229 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.939 2.876 -2.552 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.270 2.038 -1.316 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.856 2.544 -3.731 1.00 0.00 C ATOM 0 H LEU A 96 -7.790 6.780 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.398 4.402 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.998 4.632 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.756 4.926 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.923 2.620 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.234 0.980 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.543 2.245 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.269 2.291 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.808 1.475 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.881 2.820 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.533 3.100 -4.611 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.922 4.146 -0.188 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.544 3.685 -0.211 1.00 0.00 C ATOM 1450 C ALA A 97 -4.519 2.159 -0.112 1.00 0.00 C ATOM 1451 O ALA A 97 -5.559 1.528 0.069 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.763 4.356 0.920 1.00 0.00 C ATOM 0 H ALA A 97 -6.311 4.280 0.745 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.062 3.962 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.729 4.011 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.786 5.438 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.216 4.099 1.877 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.320 1.609 -0.236 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.146 0.169 -0.162 1.00 0.00 C ATOM 1460 C GLN A 98 -1.661 -0.181 -0.038 1.00 0.00 C ATOM 1461 O GLN A 98 -1.007 -0.486 -1.034 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.772 -0.522 -1.375 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.705 -2.044 -1.235 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.314 -2.735 -2.457 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.339 -2.203 -3.554 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.803 -3.946 -2.206 1.00 0.00 N ATOM 0 H GLN A 98 -2.459 2.135 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.661 -0.194 0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.811 -0.208 -1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.252 -0.214 -2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.668 -2.356 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.237 -2.354 -0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.749 -4.332 -1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.232 -4.488 -2.956 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.174 -0.125 1.193 1.00 0.00 N ATOM 1476 CA TYR A 99 0.221 -0.432 1.460 1.00 0.00 C ATOM 1477 C TYR A 99 0.703 -1.594 0.589 1.00 0.00 C ATOM 1478 O TYR A 99 -0.048 -2.533 0.329 1.00 0.00 O ATOM 1479 CB TYR A 99 0.287 -0.850 2.930 1.00 0.00 C ATOM 1480 CG TYR A 99 1.692 -1.217 3.410 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.524 -0.241 3.921 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.129 -2.524 3.332 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.847 -0.587 4.373 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.452 -2.869 3.784 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.245 -1.884 4.282 1.00 0.00 C ATOM 1486 OH TYR A 99 5.495 -2.210 4.709 1.00 0.00 O ATOM 0 H TYR A 99 -1.720 0.128 2.016 1.00 0.00 H new ATOM 0 HA TYR A 99 0.852 0.429 1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.095 -0.036 3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.373 -1.704 3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.183 0.782 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.479 -3.288 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.508 0.167 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.806 -3.888 3.728 1.00 0.00 H new ATOM 0 HH TYR A 99 5.643 -3.171 4.585 1.00 0.00 H new ATOM 1496 N ASN A 100 1.954 -1.493 0.162 1.00 0.00 N ATOM 1497 CA ASN A 100 2.545 -2.524 -0.673 1.00 0.00 C ATOM 1498 C ASN A 100 3.943 -2.859 -0.151 1.00 0.00 C ATOM 1499 O ASN A 100 4.862 -2.049 -0.265 1.00 0.00 O ATOM 1500 CB ASN A 100 2.682 -2.048 -2.121 1.00 0.00 C ATOM 1501 CG ASN A 100 1.499 -2.519 -2.968 1.00 0.00 C ATOM 1502 OD1 ASN A 100 1.075 -3.661 -2.908 1.00 0.00 O ATOM 1503 ND2 ASN A 100 0.991 -1.577 -3.758 1.00 0.00 N ATOM 0 H ASN A 100 2.574 -0.713 0.379 1.00 0.00 H new ATOM 0 HA ASN A 100 1.895 -3.398 -0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.741 -0.960 -2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.612 -2.427 -2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.198 -1.791 -4.363 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.394 -0.640 -3.759 1.00 0.00 H new ATOM 1510 N PRO A 101 4.063 -4.084 0.426 1.00 0.00 N ATOM 1511 CA PRO A 101 5.334 -4.536 0.967 1.00 0.00 C ATOM 1512 C PRO A 101 6.297 -4.931 -0.154 1.00 0.00 C ATOM 1513 O PRO A 101 6.819 -6.045 -0.165 1.00 0.00 O ATOM 1514 CB PRO A 101 4.981 -5.696 1.884 1.00 0.00 C ATOM 1515 CG PRO A 101 3.591 -6.149 1.467 1.00 0.00 C ATOM 1516 CD PRO A 101 2.996 -5.069 0.579 1.00 0.00 C ATOM 0 HA PRO A 101 5.858 -3.756 1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.703 -6.507 1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.994 -5.386 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.643 -7.097 0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.963 -6.311 2.343 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.690 -5.474 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.110 -4.626 1.034 1.00 0.00 H new