USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 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 88 GLN : amide:sc= -1.35 K(o=-4.8,f=-5.4!) USER MOD Set 1.2: A 89 GLN : amide:sc= -3.44! K(o=-4.8!,f=-2.8) USER MOD Set 2.1: A 78 THR OG1 : rot -148:sc= -1.39 USER MOD Set 2.2: A 81 GLN : amide:sc= -3.63! K(o=-5!,f=-0.75) USER MOD Set 3.1: A 35 SER OG : rot -132:sc= 0.00233 USER MOD Set 3.2: A 47 SER OG : rot 16:sc= 0.382! USER MOD Single : A 22 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-3.8) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0.593 (180deg=0.34) USER MOD Single : A 29 SER OG : rot 180:sc= 0 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 58:sc= -2.72! USER MOD Single : A 53 SER OG : rot 150:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.2) USER MOD Single : A 57 GLN : amide:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -3.91! C(o=-3.9!,f=-16!) USER MOD Single : A 70 ASN : amide:sc= -18.3! C(o=-18!,f=-21!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc=-0.00877 X(o=-0.0088,f=-0.21) USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.838 USER MOD Single : A 98 GLN : amide:sc= -1.91 K(o=-1.9,f=-3.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.71! C(o=-1.7!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -2.309 -9.347 -0.704 1.00 0.00 N ATOM 230 CA VAL A 17 -1.735 -8.056 -0.363 1.00 0.00 C ATOM 231 C VAL A 17 -2.696 -7.303 0.559 1.00 0.00 C ATOM 232 O VAL A 17 -3.902 -7.541 0.532 1.00 0.00 O ATOM 233 CB VAL A 17 -1.398 -7.280 -1.638 1.00 0.00 C ATOM 234 CG1 VAL A 17 -2.670 -6.860 -2.377 1.00 0.00 C ATOM 235 CG2 VAL A 17 -0.519 -6.067 -1.325 1.00 0.00 C ATOM 0 HA VAL A 17 -0.799 -8.186 0.180 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.833 -7.942 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.402 -6.310 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.242 -7.747 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.273 -6.223 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.294 -5.533 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.046 -5.402 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.410 -6.401 -0.863 1.00 0.00 H new ATOM 245 N GLU A 18 -2.125 -6.409 1.353 1.00 0.00 N ATOM 246 CA GLU A 18 -2.915 -5.620 2.282 1.00 0.00 C ATOM 247 C GLU A 18 -4.122 -5.009 1.566 1.00 0.00 C ATOM 248 O GLU A 18 -3.978 -4.054 0.804 1.00 0.00 O ATOM 249 CB GLU A 18 -2.063 -4.535 2.943 1.00 0.00 C ATOM 250 CG GLU A 18 -0.909 -5.151 3.736 1.00 0.00 C ATOM 251 CD GLU A 18 -1.422 -5.848 4.998 1.00 0.00 C ATOM 252 OE1 GLU A 18 -2.209 -5.202 5.723 1.00 0.00 O ATOM 253 OE2 GLU A 18 -1.016 -7.012 5.209 1.00 0.00 O ATOM 0 H GLU A 18 -1.124 -6.214 1.372 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.279 -6.279 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.668 -3.864 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.684 -3.933 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.376 -5.868 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.195 -4.374 4.010 1.00 0.00 H new ATOM 260 N GLU A 19 -5.284 -5.585 1.836 1.00 0.00 N ATOM 261 CA GLU A 19 -6.514 -5.109 1.227 1.00 0.00 C ATOM 262 C GLU A 19 -6.533 -3.579 1.192 1.00 0.00 C ATOM 263 O GLU A 19 -5.863 -2.929 1.993 1.00 0.00 O ATOM 264 CB GLU A 19 -7.738 -5.656 1.964 1.00 0.00 C ATOM 265 CG GLU A 19 -7.943 -7.141 1.661 1.00 0.00 C ATOM 266 CD GLU A 19 -9.130 -7.703 2.447 1.00 0.00 C ATOM 267 OE1 GLU A 19 -10.251 -7.200 2.218 1.00 0.00 O ATOM 268 OE2 GLU A 19 -8.889 -8.623 3.258 1.00 0.00 O ATOM 0 H GLU A 19 -5.400 -6.377 2.468 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.554 -5.476 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.614 -5.514 3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.625 -5.095 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.112 -7.278 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.039 -7.696 1.914 1.00 0.00 H new ATOM 275 N PRO A 20 -7.327 -3.036 0.232 1.00 0.00 N ATOM 276 CA PRO A 20 -7.442 -1.595 0.083 1.00 0.00 C ATOM 277 C PRO A 20 -8.312 -0.996 1.190 1.00 0.00 C ATOM 278 O PRO A 20 -9.403 -1.493 1.464 1.00 0.00 O ATOM 279 CB PRO A 20 -8.023 -1.388 -1.306 1.00 0.00 C ATOM 280 CG PRO A 20 -8.644 -2.718 -1.701 1.00 0.00 C ATOM 281 CD PRO A 20 -8.135 -3.775 -0.734 1.00 0.00 C ATOM 0 HA PRO A 20 -6.484 -1.085 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.770 -0.594 -1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.248 -1.093 -2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.732 -2.658 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.375 -2.976 -2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.959 -4.294 -0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.543 -4.531 -1.250 1.00 0.00 H new ATOM 289 N ARG A 21 -7.796 0.063 1.797 1.00 0.00 N ATOM 290 CA ARG A 21 -8.512 0.734 2.868 1.00 0.00 C ATOM 291 C ARG A 21 -8.991 2.111 2.404 1.00 0.00 C ATOM 292 O ARG A 21 -8.651 2.554 1.308 1.00 0.00 O ATOM 293 CB ARG A 21 -7.625 0.900 4.104 1.00 0.00 C ATOM 294 CG ARG A 21 -6.656 2.072 3.930 1.00 0.00 C ATOM 295 CD ARG A 21 -5.756 2.225 5.157 1.00 0.00 C ATOM 296 NE ARG A 21 -6.580 2.467 6.363 1.00 0.00 N ATOM 297 CZ ARG A 21 -6.076 2.715 7.580 1.00 0.00 C ATOM 298 NH1 ARG A 21 -4.749 2.754 7.760 1.00 0.00 N ATOM 299 NH2 ARG A 21 -6.900 2.923 8.616 1.00 0.00 N ATOM 0 H ARG A 21 -6.891 0.473 1.567 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.371 0.116 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.248 1.066 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.064 -0.018 4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.043 1.913 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.218 2.992 3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.155 1.326 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.062 3.053 5.008 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.595 2.444 6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.122 2.595 6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.365 2.943 8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.910 2.893 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.517 3.112 9.542 1.00 0.00 H new ATOM 313 N HIS A 22 -9.773 2.750 3.262 1.00 0.00 N ATOM 314 CA HIS A 22 -10.303 4.067 2.954 1.00 0.00 C ATOM 315 C HIS A 22 -9.956 5.037 4.085 1.00 0.00 C ATOM 316 O HIS A 22 -10.660 5.102 5.091 1.00 0.00 O ATOM 317 CB HIS A 22 -11.806 3.997 2.674 1.00 0.00 C ATOM 318 CG HIS A 22 -12.179 3.049 1.559 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.849 1.705 1.576 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.857 3.265 0.396 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.312 1.147 0.467 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.936 2.115 -0.263 1.00 0.00 N ATOM 0 H HIS A 22 -10.052 2.380 4.170 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.840 4.445 2.042 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.321 3.691 3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.166 4.995 2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.261 4.211 0.067 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.213 0.108 0.190 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.389 1.978 -1.167 1.00 0.00 H new ATOM 330 N VAL A 23 -8.869 5.768 3.881 1.00 0.00 N ATOM 331 CA VAL A 23 -8.419 6.732 4.871 1.00 0.00 C ATOM 332 C VAL A 23 -9.106 8.075 4.618 1.00 0.00 C ATOM 333 O VAL A 23 -9.004 8.632 3.526 1.00 0.00 O ATOM 334 CB VAL A 23 -6.892 6.828 4.852 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.405 7.993 5.716 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.254 5.511 5.297 1.00 0.00 C ATOM 0 H VAL A 23 -8.287 5.712 3.045 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.698 6.408 5.874 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.581 7.020 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.316 8.039 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.818 8.927 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.733 7.845 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.168 5.607 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.576 5.275 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.562 4.712 4.623 1.00 0.00 H new ATOM 346 N LYS A 24 -9.791 8.556 5.645 1.00 0.00 N ATOM 347 CA LYS A 24 -10.495 9.823 5.547 1.00 0.00 C ATOM 348 C LYS A 24 -9.564 10.954 5.988 1.00 0.00 C ATOM 349 O LYS A 24 -8.654 10.738 6.787 1.00 0.00 O ATOM 350 CB LYS A 24 -11.809 9.768 6.329 1.00 0.00 C ATOM 351 CG LYS A 24 -13.009 9.968 5.401 1.00 0.00 C ATOM 352 CD LYS A 24 -14.316 9.602 6.107 1.00 0.00 C ATOM 353 CE LYS A 24 -15.522 9.881 5.208 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.732 9.218 5.743 1.00 0.00 N ATOM 0 H LYS A 24 -9.873 8.091 6.549 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.775 10.024 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.894 8.807 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.809 10.538 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.048 11.006 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.889 9.354 4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.301 8.548 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.407 10.173 7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.690 10.956 5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.321 9.523 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.541 9.418 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.574 8.191 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.932 9.579 6.698 1.00 0.00 H new ATOM 368 N VAL A 25 -9.824 12.136 5.449 1.00 0.00 N ATOM 369 CA VAL A 25 -9.020 13.301 5.777 1.00 0.00 C ATOM 370 C VAL A 25 -9.943 14.490 6.055 1.00 0.00 C ATOM 371 O VAL A 25 -10.867 14.755 5.289 1.00 0.00 O ATOM 372 CB VAL A 25 -8.014 13.575 4.657 1.00 0.00 C ATOM 373 CG1 VAL A 25 -6.992 14.631 5.084 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.319 12.285 4.217 1.00 0.00 C ATOM 0 H VAL A 25 -10.580 12.312 4.787 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.439 13.121 6.681 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.564 13.968 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.289 14.807 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.508 15.560 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.450 14.279 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.609 12.508 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.789 11.850 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.063 11.577 3.853 1.00 0.00 H new ATOM 384 N GLN A 26 -9.659 15.173 7.154 1.00 0.00 N ATOM 385 CA GLN A 26 -10.452 16.327 7.544 1.00 0.00 C ATOM 386 C GLN A 26 -9.673 17.618 7.286 1.00 0.00 C ATOM 387 O GLN A 26 -9.248 18.289 8.225 1.00 0.00 O ATOM 388 CB GLN A 26 -10.881 16.229 9.009 1.00 0.00 C ATOM 389 CG GLN A 26 -12.393 16.028 9.125 1.00 0.00 C ATOM 390 CD GLN A 26 -12.949 16.751 10.354 1.00 0.00 C ATOM 391 OE1 GLN A 26 -12.547 16.512 11.481 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.893 17.645 10.075 1.00 0.00 N ATOM 0 H GLN A 26 -8.891 14.950 7.787 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.356 16.343 6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.362 15.399 9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.589 17.136 9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.883 16.402 8.226 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.618 14.964 9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.183 17.796 9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.327 18.180 10.827 1.00 0.00 H new ATOM 401 N LYS A 27 -9.508 17.927 6.008 1.00 0.00 N ATOM 402 CA LYS A 27 -8.786 19.126 5.615 1.00 0.00 C ATOM 403 C LYS A 27 -9.332 20.323 6.396 1.00 0.00 C ATOM 404 O LYS A 27 -8.712 20.777 7.356 1.00 0.00 O ATOM 405 CB LYS A 27 -8.837 19.307 4.096 1.00 0.00 C ATOM 406 CG LYS A 27 -8.230 18.099 3.380 1.00 0.00 C ATOM 407 CD LYS A 27 -6.768 18.357 3.012 1.00 0.00 C ATOM 408 CE LYS A 27 -6.577 18.365 1.494 1.00 0.00 C ATOM 409 NZ LYS A 27 -7.330 19.484 0.883 1.00 0.00 N ATOM 0 H LYS A 27 -9.862 17.368 5.231 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.729 19.036 5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.870 19.442 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.296 20.211 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.298 17.220 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.802 17.881 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.448 19.313 3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.136 17.588 3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.518 18.458 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.916 17.418 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.963 19.668 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.338 19.234 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.218 20.337 1.467 1.00 0.00 H new ATOM 423 N GLY A 28 -10.487 20.800 5.955 1.00 0.00 N ATOM 424 CA GLY A 28 -11.123 21.936 6.600 1.00 0.00 C ATOM 425 C GLY A 28 -10.416 23.242 6.233 1.00 0.00 C ATOM 426 O GLY A 28 -9.914 23.947 7.107 1.00 0.00 O ATOM 0 H GLY A 28 -10.999 20.420 5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.170 21.989 6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.106 21.801 7.681 1.00 0.00 H new ATOM 430 N SER A 29 -10.398 23.525 4.939 1.00 0.00 N ATOM 431 CA SER A 29 -9.761 24.733 4.445 1.00 0.00 C ATOM 432 C SER A 29 -8.247 24.647 4.648 1.00 0.00 C ATOM 433 O SER A 29 -7.607 25.635 5.006 1.00 0.00 O ATOM 434 CB SER A 29 -10.320 25.975 5.143 1.00 0.00 C ATOM 435 OG SER A 29 -11.740 26.042 5.057 1.00 0.00 O ATOM 0 H SER A 29 -10.815 22.937 4.217 1.00 0.00 H new ATOM 0 HA SER A 29 -9.974 24.821 3.380 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.020 25.968 6.191 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.887 26.869 4.694 1.00 0.00 H new ATOM 0 HG SER A 29 -12.058 26.848 5.516 1.00 0.00 H new ATOM 441 N GLU A 30 -7.717 23.456 4.409 1.00 0.00 N ATOM 442 CA GLU A 30 -6.290 23.228 4.561 1.00 0.00 C ATOM 443 C GLU A 30 -5.799 22.223 3.516 1.00 0.00 C ATOM 444 O GLU A 30 -6.590 21.459 2.966 1.00 0.00 O ATOM 445 CB GLU A 30 -5.958 22.752 5.977 1.00 0.00 C ATOM 446 CG GLU A 30 -5.817 23.938 6.934 1.00 0.00 C ATOM 447 CD GLU A 30 -4.373 24.081 7.420 1.00 0.00 C ATOM 448 OE1 GLU A 30 -3.929 23.172 8.155 1.00 0.00 O ATOM 449 OE2 GLU A 30 -3.747 25.096 7.046 1.00 0.00 O ATOM 0 H GLU A 30 -8.250 22.639 4.111 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.772 24.173 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.742 22.084 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.031 22.178 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.128 24.854 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.480 23.802 7.788 1.00 0.00 H new ATOM 456 N PRO A 31 -4.462 22.259 3.269 1.00 0.00 N ATOM 457 CA PRO A 31 -3.857 21.362 2.300 1.00 0.00 C ATOM 458 C PRO A 31 -3.750 19.942 2.860 1.00 0.00 C ATOM 459 O PRO A 31 -4.327 19.637 3.903 1.00 0.00 O ATOM 460 CB PRO A 31 -2.504 21.979 1.984 1.00 0.00 C ATOM 461 CG PRO A 31 -2.207 22.939 3.124 1.00 0.00 C ATOM 462 CD PRO A 31 -3.496 23.152 3.902 1.00 0.00 C ATOM 0 HA PRO A 31 -4.454 21.257 1.394 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.733 21.212 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.527 22.503 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.432 22.532 3.773 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.833 23.887 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.366 22.911 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.823 24.190 3.850 1.00 0.00 H new ATOM 470 N LEU A 32 -3.008 19.111 2.142 1.00 0.00 N ATOM 471 CA LEU A 32 -2.818 17.731 2.554 1.00 0.00 C ATOM 472 C LEU A 32 -1.407 17.561 3.120 1.00 0.00 C ATOM 473 O LEU A 32 -1.228 16.967 4.183 1.00 0.00 O ATOM 474 CB LEU A 32 -3.136 16.778 1.400 1.00 0.00 C ATOM 475 CG LEU A 32 -3.289 15.302 1.771 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.426 15.104 2.775 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.472 14.438 0.521 1.00 0.00 C ATOM 0 H LEU A 32 -2.531 19.367 1.277 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.515 17.473 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.059 17.110 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.345 16.865 0.655 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.369 14.975 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.513 14.046 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.214 15.672 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.362 15.453 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.578 13.393 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.366 14.758 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.602 14.547 -0.127 1.00 0.00 H new ATOM 489 N GLY A 33 -0.442 18.094 2.386 1.00 0.00 N ATOM 490 CA GLY A 33 0.948 18.009 2.802 1.00 0.00 C ATOM 491 C GLY A 33 1.487 16.588 2.628 1.00 0.00 C ATOM 492 O GLY A 33 1.807 15.917 3.608 1.00 0.00 O ATOM 0 H GLY A 33 -0.595 18.586 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.550 18.704 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.038 18.311 3.846 1.00 0.00 H new ATOM 496 N ILE A 34 1.570 16.171 1.373 1.00 0.00 N ATOM 497 CA ILE A 34 2.065 14.841 1.058 1.00 0.00 C ATOM 498 C ILE A 34 2.803 14.881 -0.282 1.00 0.00 C ATOM 499 O ILE A 34 2.405 15.606 -1.193 1.00 0.00 O ATOM 500 CB ILE A 34 0.925 13.821 1.102 1.00 0.00 C ATOM 501 CG1 ILE A 34 -0.214 14.230 0.166 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.439 13.605 2.536 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.579 13.088 -0.784 1.00 0.00 C ATOM 0 H ILE A 34 1.303 16.730 0.563 1.00 0.00 H new ATOM 0 HA ILE A 34 2.784 14.514 1.809 1.00 0.00 H new ATOM 0 HB ILE A 34 1.308 12.865 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.088 14.513 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.081 15.107 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.371 12.876 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.262 13.236 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.079 14.549 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.391 13.405 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.290 12.824 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.897 12.221 -0.205 1.00 0.00 H new ATOM 515 N SER A 35 3.864 14.092 -0.360 1.00 0.00 N ATOM 516 CA SER A 35 4.661 14.027 -1.574 1.00 0.00 C ATOM 517 C SER A 35 4.273 12.792 -2.390 1.00 0.00 C ATOM 518 O SER A 35 3.946 11.749 -1.826 1.00 0.00 O ATOM 519 CB SER A 35 6.156 14.002 -1.250 1.00 0.00 C ATOM 520 OG SER A 35 6.948 14.443 -2.349 1.00 0.00 O ATOM 0 H SER A 35 4.191 13.492 0.397 1.00 0.00 H new ATOM 0 HA SER A 35 4.460 14.921 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.350 14.637 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.450 12.989 -0.974 1.00 0.00 H new ATOM 0 HG SER A 35 7.682 13.811 -2.497 1.00 0.00 H new ATOM 526 N ILE A 36 4.323 12.951 -3.704 1.00 0.00 N ATOM 527 CA ILE A 36 3.982 11.862 -4.603 1.00 0.00 C ATOM 528 C ILE A 36 5.036 11.768 -5.707 1.00 0.00 C ATOM 529 O ILE A 36 5.736 12.740 -5.986 1.00 0.00 O ATOM 530 CB ILE A 36 2.554 12.029 -5.128 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.434 13.278 -6.004 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.544 12.036 -3.979 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.618 12.931 -7.482 1.00 0.00 C ATOM 0 H ILE A 36 4.595 13.818 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 36 3.993 10.911 -4.071 1.00 0.00 H new ATOM 0 HB ILE A 36 2.320 11.170 -5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.458 13.739 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.183 14.011 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.538 12.156 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.607 11.095 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.767 12.862 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.528 13.836 -8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.604 12.492 -7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.853 12.217 -7.786 1.00 0.00 H new ATOM 545 N VAL A 37 5.116 10.589 -6.306 1.00 0.00 N ATOM 546 CA VAL A 37 6.074 10.356 -7.374 1.00 0.00 C ATOM 547 C VAL A 37 5.501 9.327 -8.351 1.00 0.00 C ATOM 548 O VAL A 37 4.746 8.441 -7.954 1.00 0.00 O ATOM 549 CB VAL A 37 7.422 9.934 -6.785 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.798 10.813 -5.591 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.411 8.455 -6.395 1.00 0.00 C ATOM 0 H VAL A 37 4.533 9.785 -6.072 1.00 0.00 H new ATOM 0 HA VAL A 37 6.252 11.274 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 37 8.182 10.072 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.760 10.492 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.867 11.852 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.035 10.722 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.381 8.181 -5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.635 8.281 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.210 7.848 -7.277 1.00 0.00 H new ATOM 561 N SER A 38 5.881 9.480 -9.611 1.00 0.00 N ATOM 562 CA SER A 38 5.414 8.576 -10.649 1.00 0.00 C ATOM 563 C SER A 38 6.503 7.554 -10.981 1.00 0.00 C ATOM 564 O SER A 38 7.691 7.867 -10.922 1.00 0.00 O ATOM 565 CB SER A 38 5.005 9.345 -11.907 1.00 0.00 C ATOM 566 OG SER A 38 4.536 8.477 -12.934 1.00 0.00 O ATOM 0 H SER A 38 6.507 10.216 -9.937 1.00 0.00 H new ATOM 0 HA SER A 38 4.534 8.052 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.225 10.063 -11.655 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.857 9.916 -12.276 1.00 0.00 H new ATOM 0 HG SER A 38 4.283 9.006 -13.719 1.00 0.00 H new ATOM 572 N GLY A 39 6.059 6.354 -11.324 1.00 0.00 N ATOM 573 CA GLY A 39 6.981 5.285 -11.667 1.00 0.00 C ATOM 574 C GLY A 39 7.129 5.153 -13.184 1.00 0.00 C ATOM 575 O GLY A 39 6.787 6.072 -13.927 1.00 0.00 O ATOM 0 H GLY A 39 5.073 6.098 -11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.955 5.482 -11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.623 4.344 -11.250 1.00 0.00 H new ATOM 623 N GLY A 43 1.596 3.817 -11.300 1.00 0.00 N ATOM 624 CA GLY A 43 0.662 4.585 -10.495 1.00 0.00 C ATOM 625 C GLY A 43 1.377 5.722 -9.761 1.00 0.00 C ATOM 626 O GLY A 43 2.419 6.197 -10.209 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.122 4.995 -11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.175 3.930 -9.772 1.00 0.00 H new ATOM 630 N ILE A 44 0.787 6.125 -8.645 1.00 0.00 N ATOM 631 CA ILE A 44 1.355 7.197 -7.844 1.00 0.00 C ATOM 632 C ILE A 44 1.713 6.658 -6.458 1.00 0.00 C ATOM 633 O ILE A 44 0.914 5.962 -5.833 1.00 0.00 O ATOM 634 CB ILE A 44 0.409 8.399 -7.811 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.164 8.943 -9.220 1.00 0.00 C ATOM 636 CG2 ILE A 44 0.929 9.480 -6.861 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.398 9.678 -9.746 1.00 0.00 C ATOM 0 H ILE A 44 -0.078 5.729 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 44 2.279 7.560 -8.293 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.554 8.066 -7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.089 8.123 -9.892 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.690 9.620 -9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.238 10.323 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.010 9.071 -5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.910 9.817 -7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.197 10.055 -10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.634 10.512 -9.085 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.244 8.991 -9.779 1.00 0.00 H new ATOM 649 N TYR A 45 2.915 7.000 -6.017 1.00 0.00 N ATOM 650 CA TYR A 45 3.388 6.559 -4.717 1.00 0.00 C ATOM 651 C TYR A 45 3.735 7.753 -3.825 1.00 0.00 C ATOM 652 O TYR A 45 4.224 8.772 -4.310 1.00 0.00 O ATOM 653 CB TYR A 45 4.660 5.750 -4.983 1.00 0.00 C ATOM 654 CG TYR A 45 4.439 4.511 -5.853 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.113 3.305 -5.267 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.565 4.600 -7.224 1.00 0.00 C ATOM 657 CE1 TYR A 45 3.905 2.139 -6.086 1.00 0.00 C ATOM 658 CE2 TYR A 45 4.356 3.434 -8.043 1.00 0.00 C ATOM 659 CZ TYR A 45 4.037 2.261 -7.434 1.00 0.00 C ATOM 660 OH TYR A 45 3.840 1.160 -8.207 1.00 0.00 O ATOM 0 H TYR A 45 3.575 7.578 -6.538 1.00 0.00 H new ATOM 0 HA TYR A 45 2.621 5.977 -4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.394 6.395 -5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.087 5.440 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.014 3.236 -4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.820 5.544 -7.683 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.650 1.189 -5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.451 3.490 -9.117 1.00 0.00 H new ATOM 0 HH TYR A 45 3.966 1.395 -9.150 1.00 0.00 H new ATOM 670 N VAL A 46 3.468 7.587 -2.538 1.00 0.00 N ATOM 671 CA VAL A 46 3.746 8.639 -1.575 1.00 0.00 C ATOM 672 C VAL A 46 5.252 8.705 -1.318 1.00 0.00 C ATOM 673 O VAL A 46 5.862 7.713 -0.921 1.00 0.00 O ATOM 674 CB VAL A 46 2.931 8.409 -0.300 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.283 9.445 0.770 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.431 8.418 -0.599 1.00 0.00 C ATOM 0 H VAL A 46 3.062 6.740 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 46 3.442 9.608 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 46 3.189 7.424 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.690 9.259 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.343 9.370 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.067 10.445 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.875 8.252 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.150 9.382 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.197 7.626 -1.311 1.00 0.00 H new ATOM 686 N SER A 47 5.810 9.883 -1.555 1.00 0.00 N ATOM 687 CA SER A 47 7.234 10.091 -1.354 1.00 0.00 C ATOM 688 C SER A 47 7.485 10.685 0.034 1.00 0.00 C ATOM 689 O SER A 47 8.627 10.750 0.487 1.00 0.00 O ATOM 690 CB SER A 47 7.815 11.004 -2.435 1.00 0.00 C ATOM 691 OG SER A 47 8.866 11.824 -1.933 1.00 0.00 O ATOM 0 H SER A 47 5.302 10.704 -1.884 1.00 0.00 H new ATOM 0 HA SER A 47 7.734 9.125 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.191 10.397 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.024 11.636 -2.840 1.00 0.00 H new ATOM 0 HG SER A 47 9.182 11.464 -1.078 1.00 0.00 H new ATOM 697 N LYS A 48 6.400 11.103 0.669 1.00 0.00 N ATOM 698 CA LYS A 48 6.489 11.690 1.995 1.00 0.00 C ATOM 699 C LYS A 48 5.099 12.151 2.438 1.00 0.00 C ATOM 700 O LYS A 48 4.148 12.103 1.660 1.00 0.00 O ATOM 701 CB LYS A 48 7.543 12.799 2.021 1.00 0.00 C ATOM 702 CG LYS A 48 8.508 12.611 3.194 1.00 0.00 C ATOM 703 CD LYS A 48 9.026 13.959 3.699 1.00 0.00 C ATOM 704 CE LYS A 48 10.357 13.794 4.436 1.00 0.00 C ATOM 705 NZ LYS A 48 11.318 14.836 4.009 1.00 0.00 N ATOM 0 H LYS A 48 5.455 11.047 0.290 1.00 0.00 H new ATOM 0 HA LYS A 48 6.824 10.947 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.100 12.799 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.053 13.769 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.003 12.085 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.347 11.988 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.154 14.641 2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.290 14.409 4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.194 13.860 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.770 12.805 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.216 14.710 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.486 14.755 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.928 15.776 4.222 1.00 0.00 H new ATOM 719 N VAL A 49 5.026 12.587 3.687 1.00 0.00 N ATOM 720 CA VAL A 49 3.768 13.057 4.243 1.00 0.00 C ATOM 721 C VAL A 49 4.046 14.184 5.240 1.00 0.00 C ATOM 722 O VAL A 49 3.715 14.069 6.420 1.00 0.00 O ATOM 723 CB VAL A 49 3.000 11.887 4.862 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.937 10.975 5.657 1.00 0.00 C ATOM 725 CG2 VAL A 49 1.850 12.388 5.737 1.00 0.00 C ATOM 0 H VAL A 49 5.817 12.625 4.330 1.00 0.00 H new ATOM 0 HA VAL A 49 3.132 13.467 3.458 1.00 0.00 H new ATOM 0 HB VAL A 49 2.572 11.300 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.366 10.152 6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.706 10.577 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.408 11.546 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.321 11.537 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.248 13.009 6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.161 12.976 5.131 1.00 0.00 H new ATOM 735 N THR A 50 4.649 15.247 4.730 1.00 0.00 N ATOM 736 CA THR A 50 4.975 16.394 5.561 1.00 0.00 C ATOM 737 C THR A 50 5.195 15.957 7.010 1.00 0.00 C ATOM 738 O THR A 50 5.797 14.915 7.264 1.00 0.00 O ATOM 739 CB THR A 50 3.857 17.426 5.401 1.00 0.00 C ATOM 740 OG1 THR A 50 3.609 17.455 3.998 1.00 0.00 O ATOM 741 CG2 THR A 50 4.321 18.847 5.726 1.00 0.00 C ATOM 0 H THR A 50 4.921 15.339 3.751 1.00 0.00 H new ATOM 0 HA THR A 50 5.911 16.856 5.248 1.00 0.00 H new ATOM 0 HB THR A 50 3.022 17.159 6.049 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.366 16.557 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.490 19.540 5.597 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.671 18.889 6.758 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.134 19.127 5.056 1.00 0.00 H new ATOM 749 N VAL A 51 4.694 16.775 7.924 1.00 0.00 N ATOM 750 CA VAL A 51 4.829 16.486 9.342 1.00 0.00 C ATOM 751 C VAL A 51 3.793 17.297 10.124 1.00 0.00 C ATOM 752 O VAL A 51 3.830 18.526 10.119 1.00 0.00 O ATOM 753 CB VAL A 51 6.265 16.754 9.797 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.338 16.912 11.317 1.00 0.00 C ATOM 755 CG2 VAL A 51 7.208 15.651 9.314 1.00 0.00 C ATOM 0 H VAL A 51 4.194 17.638 7.710 1.00 0.00 H new ATOM 0 HA VAL A 51 4.632 15.432 9.537 1.00 0.00 H new ATOM 0 HB VAL A 51 6.589 17.692 9.347 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.369 17.102 11.614 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.712 17.749 11.626 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.985 15.998 11.795 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.222 15.866 9.651 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.886 14.693 9.721 1.00 0.00 H new ATOM 0 HG23 VAL A 51 7.189 15.607 8.225 1.00 0.00 H new ATOM 765 N GLY A 52 2.894 16.575 10.776 1.00 0.00 N ATOM 766 CA GLY A 52 1.850 17.212 11.561 1.00 0.00 C ATOM 767 C GLY A 52 0.791 17.843 10.655 1.00 0.00 C ATOM 768 O GLY A 52 -0.126 18.507 11.135 1.00 0.00 O ATOM 0 H GLY A 52 2.867 15.555 10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.382 16.477 12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.288 17.977 12.202 1.00 0.00 H new ATOM 772 N SER A 53 0.953 17.614 9.360 1.00 0.00 N ATOM 773 CA SER A 53 0.023 18.153 8.382 1.00 0.00 C ATOM 774 C SER A 53 -1.235 17.284 8.323 1.00 0.00 C ATOM 775 O SER A 53 -1.248 16.167 8.839 1.00 0.00 O ATOM 776 CB SER A 53 0.670 18.245 6.999 1.00 0.00 C ATOM 777 OG SER A 53 0.146 19.329 6.236 1.00 0.00 O ATOM 0 H SER A 53 1.715 17.062 8.965 1.00 0.00 H new ATOM 0 HA SER A 53 -0.253 19.161 8.691 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.747 18.367 7.110 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.509 17.311 6.460 1.00 0.00 H new ATOM 0 HG SER A 53 0.836 19.664 5.626 1.00 0.00 H new ATOM 783 N ILE A 54 -2.263 17.829 7.690 1.00 0.00 N ATOM 784 CA ILE A 54 -3.523 17.118 7.557 1.00 0.00 C ATOM 785 C ILE A 54 -3.243 15.628 7.349 1.00 0.00 C ATOM 786 O ILE A 54 -3.702 14.793 8.127 1.00 0.00 O ATOM 787 CB ILE A 54 -4.377 17.743 6.452 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.749 19.187 6.796 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.612 16.887 6.162 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.664 19.240 8.021 1.00 0.00 C ATOM 0 H ILE A 54 -2.249 18.755 7.263 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.110 17.208 8.471 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.784 17.772 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.844 19.764 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.248 19.651 5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.201 17.354 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.299 15.893 5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.217 16.803 7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.913 20.277 8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.578 18.683 7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.153 18.798 8.876 1.00 0.00 H new ATOM 802 N ALA A 55 -2.491 15.341 6.297 1.00 0.00 N ATOM 803 CA ALA A 55 -2.145 13.966 5.978 1.00 0.00 C ATOM 804 C ALA A 55 -1.680 13.254 7.249 1.00 0.00 C ATOM 805 O ALA A 55 -2.271 12.254 7.656 1.00 0.00 O ATOM 806 CB ALA A 55 -1.081 13.950 4.879 1.00 0.00 C ATOM 0 H ALA A 55 -2.112 16.037 5.655 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.015 13.429 5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.821 12.919 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.471 14.443 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.192 14.477 5.225 1.00 0.00 H new ATOM 812 N HIS A 56 -0.626 13.795 7.842 1.00 0.00 N ATOM 813 CA HIS A 56 -0.076 13.224 9.059 1.00 0.00 C ATOM 814 C HIS A 56 -1.207 12.936 10.048 1.00 0.00 C ATOM 815 O HIS A 56 -1.226 11.885 10.686 1.00 0.00 O ATOM 816 CB HIS A 56 1.008 14.132 9.644 1.00 0.00 C ATOM 817 CG HIS A 56 1.977 13.421 10.558 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.866 13.450 11.937 1.00 0.00 N ATOM 819 CD2 HIS A 56 3.075 12.661 10.276 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.858 12.738 12.452 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.606 12.250 11.421 1.00 0.00 N ATOM 0 H HIS A 56 -0.138 14.624 7.502 1.00 0.00 H new ATOM 0 HA HIS A 56 0.411 12.275 8.832 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.565 14.589 8.826 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.531 14.941 10.196 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.448 12.433 9.289 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.042 12.573 13.503 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.437 11.665 11.515 1.00 0.00 H new ATOM 829 N GLN A 57 -2.121 13.890 10.145 1.00 0.00 N ATOM 830 CA GLN A 57 -3.253 13.753 11.046 1.00 0.00 C ATOM 831 C GLN A 57 -4.193 12.650 10.554 1.00 0.00 C ATOM 832 O GLN A 57 -4.847 11.984 11.355 1.00 0.00 O ATOM 833 CB GLN A 57 -3.998 15.081 11.197 1.00 0.00 C ATOM 834 CG GLN A 57 -3.017 16.241 11.383 1.00 0.00 C ATOM 835 CD GLN A 57 -3.666 17.388 12.161 1.00 0.00 C ATOM 836 OE1 GLN A 57 -3.922 18.460 11.639 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.917 17.102 13.436 1.00 0.00 N ATOM 0 H GLN A 57 -2.101 14.761 9.615 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.877 13.471 12.030 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.614 15.259 10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.672 15.029 12.052 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.132 15.892 11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.684 16.600 10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.677 16.184 13.809 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.349 17.801 14.040 1.00 0.00 H new ATOM 846 N ALA A 58 -4.230 12.492 9.239 1.00 0.00 N ATOM 847 CA ALA A 58 -5.079 11.482 8.630 1.00 0.00 C ATOM 848 C ALA A 58 -4.556 10.092 9.001 1.00 0.00 C ATOM 849 O ALA A 58 -5.338 9.186 9.284 1.00 0.00 O ATOM 850 CB ALA A 58 -5.130 11.702 7.117 1.00 0.00 C ATOM 0 H ALA A 58 -3.686 13.047 8.578 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.100 11.561 9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.767 10.944 6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.536 12.692 6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.124 11.627 6.704 1.00 0.00 H new ATOM 856 N GLY A 59 -3.237 9.968 8.986 1.00 0.00 N ATOM 857 CA GLY A 59 -2.601 8.705 9.316 1.00 0.00 C ATOM 858 C GLY A 59 -2.078 8.008 8.058 1.00 0.00 C ATOM 859 O GLY A 59 -2.316 6.818 7.859 1.00 0.00 O ATOM 0 H GLY A 59 -2.592 10.722 8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.777 8.879 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.314 8.057 9.825 1.00 0.00 H new ATOM 863 N LEU A 60 -1.376 8.780 7.242 1.00 0.00 N ATOM 864 CA LEU A 60 -0.818 8.252 6.008 1.00 0.00 C ATOM 865 C LEU A 60 0.623 7.803 6.257 1.00 0.00 C ATOM 866 O LEU A 60 1.109 7.860 7.386 1.00 0.00 O ATOM 867 CB LEU A 60 -0.958 9.273 4.877 1.00 0.00 C ATOM 868 CG LEU A 60 -2.332 9.351 4.209 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.291 10.253 2.974 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.862 7.953 3.881 1.00 0.00 C ATOM 0 H LEU A 60 -1.181 9.767 7.411 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.375 7.373 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.712 10.259 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.217 9.042 4.112 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.030 9.803 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.280 10.291 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.988 11.258 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.576 9.854 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.840 8.037 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.171 7.452 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.953 7.373 4.800 1.00 0.00 H new ATOM 882 N GLU A 61 1.266 7.366 5.184 1.00 0.00 N ATOM 883 CA GLU A 61 2.642 6.907 5.272 1.00 0.00 C ATOM 884 C GLU A 61 3.239 6.749 3.872 1.00 0.00 C ATOM 885 O GLU A 61 2.508 6.687 2.885 1.00 0.00 O ATOM 886 CB GLU A 61 2.734 5.597 6.058 1.00 0.00 C ATOM 887 CG GLU A 61 1.965 4.479 5.353 1.00 0.00 C ATOM 888 CD GLU A 61 1.992 3.190 6.177 1.00 0.00 C ATOM 889 OE1 GLU A 61 1.568 3.258 7.351 1.00 0.00 O ATOM 890 OE2 GLU A 61 2.437 2.166 5.615 1.00 0.00 O ATOM 0 H GLU A 61 0.860 7.320 4.250 1.00 0.00 H new ATOM 0 HA GLU A 61 3.221 7.657 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.779 5.309 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.333 5.742 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.933 4.789 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.401 4.296 4.371 1.00 0.00 H new ATOM 897 N TYR A 62 4.562 6.688 3.831 1.00 0.00 N ATOM 898 CA TYR A 62 5.266 6.538 2.569 1.00 0.00 C ATOM 899 C TYR A 62 5.185 5.096 2.064 1.00 0.00 C ATOM 900 O TYR A 62 5.121 4.159 2.858 1.00 0.00 O ATOM 901 CB TYR A 62 6.728 6.884 2.858 1.00 0.00 C ATOM 902 CG TYR A 62 7.654 6.729 1.650 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.929 5.473 1.148 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.215 7.845 1.062 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.801 5.327 0.011 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.087 7.699 -0.074 1.00 0.00 C ATOM 907 CZ TYR A 62 9.336 6.447 -0.544 1.00 0.00 C ATOM 908 OH TYR A 62 10.160 6.309 -1.618 1.00 0.00 O ATOM 0 H TYR A 62 5.165 6.740 4.652 1.00 0.00 H new ATOM 0 HA TYR A 62 4.827 7.181 1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.784 7.912 3.216 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.089 6.246 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.490 4.600 1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.000 8.828 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.025 4.350 -0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.533 8.564 -0.542 1.00 0.00 H new ATOM 0 HH TYR A 62 10.467 7.193 -1.910 1.00 0.00 H new ATOM 918 N GLY A 63 5.191 4.964 0.745 1.00 0.00 N ATOM 919 CA GLY A 63 5.120 3.652 0.125 1.00 0.00 C ATOM 920 C GLY A 63 3.666 3.224 -0.088 1.00 0.00 C ATOM 921 O GLY A 63 3.398 2.247 -0.784 1.00 0.00 O ATOM 0 H GLY A 63 5.244 5.744 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.642 3.669 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.630 2.921 0.753 1.00 0.00 H new ATOM 925 N ASP A 64 2.765 3.978 0.526 1.00 0.00 N ATOM 926 CA ASP A 64 1.346 3.690 0.413 1.00 0.00 C ATOM 927 C ASP A 64 0.846 4.142 -0.961 1.00 0.00 C ATOM 928 O ASP A 64 0.688 5.337 -1.205 1.00 0.00 O ATOM 929 CB ASP A 64 0.544 4.440 1.478 1.00 0.00 C ATOM 930 CG ASP A 64 -0.234 3.550 2.449 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.076 2.315 2.337 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.969 4.124 3.281 1.00 0.00 O ATOM 0 H ASP A 64 2.991 4.788 1.103 1.00 0.00 H new ATOM 0 HA ASP A 64 1.209 2.617 0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.227 5.067 2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.158 5.108 0.979 1.00 0.00 H new ATOM 937 N GLN A 65 0.611 3.162 -1.822 1.00 0.00 N ATOM 938 CA GLN A 65 0.132 3.444 -3.164 1.00 0.00 C ATOM 939 C GLN A 65 -1.275 4.042 -3.111 1.00 0.00 C ATOM 940 O GLN A 65 -2.149 3.522 -2.418 1.00 0.00 O ATOM 941 CB GLN A 65 0.160 2.185 -4.032 1.00 0.00 C ATOM 942 CG GLN A 65 0.253 2.544 -5.517 1.00 0.00 C ATOM 943 CD GLN A 65 -1.123 2.485 -6.182 1.00 0.00 C ATOM 944 OE1 GLN A 65 -2.117 2.958 -5.656 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.125 1.880 -7.367 1.00 0.00 N ATOM 0 H GLN A 65 0.744 2.172 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 65 0.799 4.175 -3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.010 1.564 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.739 1.595 -3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.672 3.544 -5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.933 1.856 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.257 1.506 -7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.995 1.790 -7.892 1.00 0.00 H new ATOM 954 N LEU A 66 -1.451 5.127 -3.852 1.00 0.00 N ATOM 955 CA LEU A 66 -2.738 5.801 -3.898 1.00 0.00 C ATOM 956 C LEU A 66 -3.569 5.226 -5.046 1.00 0.00 C ATOM 957 O LEU A 66 -3.423 5.644 -6.193 1.00 0.00 O ATOM 958 CB LEU A 66 -2.545 7.317 -3.977 1.00 0.00 C ATOM 959 CG LEU A 66 -1.432 7.898 -3.104 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.301 9.408 -3.316 1.00 0.00 C ATOM 961 CD2 LEU A 66 -1.647 7.543 -1.631 1.00 0.00 C ATOM 0 H LEU A 66 -0.724 5.556 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.296 5.621 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.343 7.584 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.484 7.798 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.488 7.446 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.503 9.796 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.067 9.610 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.240 9.895 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.841 7.969 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.601 7.948 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.652 6.459 -1.515 1.00 0.00 H new ATOM 973 N LEU A 67 -4.424 4.275 -4.696 1.00 0.00 N ATOM 974 CA LEU A 67 -5.279 3.638 -5.683 1.00 0.00 C ATOM 975 C LEU A 67 -6.248 4.674 -6.257 1.00 0.00 C ATOM 976 O LEU A 67 -6.280 4.897 -7.466 1.00 0.00 O ATOM 977 CB LEU A 67 -5.973 2.414 -5.082 1.00 0.00 C ATOM 978 CG LEU A 67 -5.069 1.223 -4.758 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.878 0.063 -4.174 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.261 0.798 -5.985 1.00 0.00 C ATOM 0 H LEU A 67 -4.542 3.931 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.684 3.261 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.479 2.721 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.745 2.081 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.355 1.534 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.211 -0.770 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.370 0.388 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.630 -0.256 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.627 -0.050 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.941 0.512 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.638 1.629 -6.316 1.00 0.00 H new ATOM 992 N GLU A 68 -7.015 5.279 -5.361 1.00 0.00 N ATOM 993 CA GLU A 68 -7.983 6.286 -5.763 1.00 0.00 C ATOM 994 C GLU A 68 -8.037 7.412 -4.729 1.00 0.00 C ATOM 995 O GLU A 68 -7.833 7.177 -3.539 1.00 0.00 O ATOM 996 CB GLU A 68 -9.366 5.666 -5.971 1.00 0.00 C ATOM 997 CG GLU A 68 -9.478 5.029 -7.358 1.00 0.00 C ATOM 998 CD GLU A 68 -9.456 3.502 -7.263 1.00 0.00 C ATOM 999 OE1 GLU A 68 -8.341 2.960 -7.100 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -10.553 2.912 -7.357 1.00 0.00 O ATOM 0 H GLU A 68 -6.986 5.091 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.664 6.708 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.550 4.913 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.133 6.432 -5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.401 5.354 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.655 5.370 -7.986 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.313 8.611 -5.220 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.397 9.774 -4.354 1.00 0.00 C ATOM 1009 C PHE A 69 -9.844 10.253 -4.216 1.00 0.00 C ATOM 1010 O PHE A 69 -10.359 10.945 -5.093 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.567 10.880 -5.008 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.408 12.133 -4.143 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.355 13.108 -4.179 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.319 12.271 -3.340 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.208 14.271 -3.377 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.172 13.434 -2.537 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.119 14.409 -2.573 1.00 0.00 C ATOM 0 H PHE A 69 -8.481 8.802 -6.208 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.029 9.523 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.578 10.487 -5.245 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.033 11.160 -5.953 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.219 12.998 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.566 11.497 -3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.960 15.045 -3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.308 13.544 -1.898 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.007 15.293 -1.963 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.459 9.865 -3.109 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.837 10.245 -2.846 1.00 0.00 C ATOM 1029 C ASN A 70 -12.667 10.049 -4.116 1.00 0.00 C ATOM 1030 O ASN A 70 -13.681 10.719 -4.309 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.934 11.717 -2.441 1.00 0.00 C ATOM 1032 CG ASN A 70 -11.644 12.634 -3.631 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -12.101 12.415 -4.741 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -10.862 13.669 -3.339 1.00 0.00 N ATOM 0 H ASN A 70 -10.029 9.291 -2.384 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.210 9.621 -2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.930 11.926 -2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.227 11.924 -1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.610 14.339 -4.066 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.514 13.793 -2.388 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.207 9.127 -4.948 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.895 8.833 -6.194 1.00 0.00 C ATOM 1043 C GLY A 71 -12.248 9.576 -7.365 1.00 0.00 C ATOM 1044 O GLY A 71 -12.920 10.316 -8.082 1.00 0.00 O ATOM 0 H GLY A 71 -11.366 8.573 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.872 7.760 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.943 9.120 -6.111 1.00 0.00 H new ATOM 1048 N ILE A 72 -10.952 9.351 -7.523 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.207 9.989 -8.595 1.00 0.00 C ATOM 1050 C ILE A 72 -9.115 9.038 -9.088 1.00 0.00 C ATOM 1051 O ILE A 72 -8.116 8.826 -8.403 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.678 11.352 -8.142 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.687 12.461 -8.444 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.308 11.640 -8.760 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.776 13.453 -7.283 1.00 0.00 C ATOM 0 H ILE A 72 -10.399 8.736 -6.927 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.860 10.192 -9.444 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.545 11.324 -7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.395 12.986 -9.354 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.668 12.024 -8.630 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.954 12.614 -8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.601 10.870 -8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.392 11.641 -9.847 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -11.500 14.231 -7.524 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -11.092 12.930 -6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.799 13.906 -7.116 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.343 8.490 -10.273 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.391 7.566 -10.866 1.00 0.00 C ATOM 1069 C ASN A 73 -6.970 8.074 -10.614 1.00 0.00 C ATOM 1070 O ASN A 73 -6.625 9.185 -11.013 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.595 7.460 -12.378 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.892 6.018 -12.792 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.063 5.324 -13.358 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -10.117 5.606 -12.479 1.00 0.00 N ATOM 0 H ASN A 73 -10.173 8.668 -10.838 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.544 6.587 -10.413 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.418 8.106 -12.684 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.703 7.814 -12.894 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.411 4.658 -12.713 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.762 6.238 -12.005 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.184 7.235 -9.955 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.808 7.586 -9.646 1.00 0.00 C ATOM 1083 C LEU A 74 -3.868 6.588 -10.326 1.00 0.00 C ATOM 1084 O LEU A 74 -2.843 6.977 -10.884 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.608 7.686 -8.133 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.969 9.030 -7.496 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -4.894 8.952 -5.970 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -4.095 10.154 -8.056 1.00 0.00 C ATOM 0 H LEU A 74 -6.474 6.314 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.568 8.573 -10.042 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.204 6.908 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.563 7.469 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.001 9.265 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.155 9.920 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.592 8.196 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.881 8.684 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.372 11.098 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.047 9.939 -7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.243 10.227 -9.133 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.250 5.321 -10.256 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.454 4.266 -10.857 1.00 0.00 C ATOM 1102 C ARG A 75 -3.011 4.670 -12.265 1.00 0.00 C ATOM 1103 O ARG A 75 -1.988 4.199 -12.758 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.242 2.957 -10.935 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.498 2.387 -9.538 1.00 0.00 C ATOM 1106 CD ARG A 75 -5.131 0.996 -9.620 1.00 0.00 C ATOM 1107 NE ARG A 75 -4.138 0.017 -10.116 1.00 0.00 N ATOM 1108 CZ ARG A 75 -4.420 -1.261 -10.399 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -5.668 -1.723 -10.238 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -3.456 -2.078 -10.844 1.00 0.00 N ATOM 0 H ARG A 75 -5.101 5.002 -9.792 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.578 4.113 -10.226 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.192 3.130 -11.441 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.690 2.231 -11.532 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.559 2.331 -8.987 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.155 3.057 -8.983 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.493 0.693 -8.637 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.995 1.019 -10.285 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.179 0.336 -10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.402 -1.101 -9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.883 -2.696 -10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.506 -1.727 -10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.672 -3.051 -11.059 1.00 0.00 H new ATOM 1124 N SER A 76 -3.805 5.540 -12.873 1.00 0.00 N ATOM 1125 CA SER A 76 -3.508 6.014 -14.214 1.00 0.00 C ATOM 1126 C SER A 76 -3.420 7.541 -14.222 1.00 0.00 C ATOM 1127 O SER A 76 -3.834 8.185 -15.185 1.00 0.00 O ATOM 1128 CB SER A 76 -4.565 5.538 -15.213 1.00 0.00 C ATOM 1129 OG SER A 76 -4.596 4.117 -15.321 1.00 0.00 O ATOM 0 H SER A 76 -4.653 5.929 -12.461 1.00 0.00 H new ATOM 0 HA SER A 76 -2.547 5.600 -14.518 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.546 5.900 -14.903 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.360 5.972 -16.192 1.00 0.00 H new ATOM 0 HG SER A 76 -5.284 3.853 -15.967 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.879 8.076 -13.138 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.731 9.516 -13.008 1.00 0.00 C ATOM 1137 C ALA A 77 -1.249 9.883 -13.105 1.00 0.00 C ATOM 1138 O ALA A 77 -0.382 9.020 -12.974 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.361 9.977 -11.692 1.00 0.00 C ATOM 0 H ALA A 77 -2.538 7.538 -12.341 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.251 10.030 -13.816 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.250 11.057 -11.594 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.420 9.719 -11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.862 9.484 -10.858 1.00 0.00 H new ATOM 1145 N THR A 78 -1.004 11.165 -13.333 1.00 0.00 N ATOM 1146 CA THR A 78 0.359 11.657 -13.449 1.00 0.00 C ATOM 1147 C THR A 78 0.737 12.475 -12.213 1.00 0.00 C ATOM 1148 O THR A 78 -0.112 13.134 -11.616 1.00 0.00 O ATOM 1149 CB THR A 78 0.467 12.445 -14.756 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.726 13.223 -14.792 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.365 11.548 -15.991 1.00 0.00 C ATOM 0 H THR A 78 -1.726 11.878 -13.441 1.00 0.00 H new ATOM 0 HA THR A 78 1.075 10.836 -13.488 1.00 0.00 H new ATOM 0 HB THR A 78 1.414 12.985 -14.777 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.006 13.350 -15.723 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.448 12.157 -16.891 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.170 10.814 -15.975 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.596 11.033 -15.988 1.00 0.00 H new ATOM 1159 N GLU A 79 2.014 12.406 -11.865 1.00 0.00 N ATOM 1160 CA GLU A 79 2.516 13.132 -10.711 1.00 0.00 C ATOM 1161 C GLU A 79 1.946 14.552 -10.688 1.00 0.00 C ATOM 1162 O GLU A 79 1.550 15.049 -9.635 1.00 0.00 O ATOM 1163 CB GLU A 79 4.046 13.155 -10.700 1.00 0.00 C ATOM 1164 CG GLU A 79 4.603 13.210 -12.124 1.00 0.00 C ATOM 1165 CD GLU A 79 6.018 13.791 -12.137 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.861 13.251 -11.387 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.226 14.763 -12.895 1.00 0.00 O ATOM 0 H GLU A 79 2.716 11.858 -12.362 1.00 0.00 H new ATOM 0 HA GLU A 79 2.187 12.615 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.396 14.019 -10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.423 12.267 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.613 12.208 -12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.950 13.818 -12.750 1.00 0.00 H new ATOM 1174 N GLN A 80 1.922 15.165 -11.863 1.00 0.00 N ATOM 1175 CA GLN A 80 1.408 16.518 -11.991 1.00 0.00 C ATOM 1176 C GLN A 80 -0.061 16.570 -11.563 1.00 0.00 C ATOM 1177 O GLN A 80 -0.483 17.512 -10.896 1.00 0.00 O ATOM 1178 CB GLN A 80 1.581 17.038 -13.419 1.00 0.00 C ATOM 1179 CG GLN A 80 1.053 16.027 -14.439 1.00 0.00 C ATOM 1180 CD GLN A 80 2.094 15.748 -15.525 1.00 0.00 C ATOM 1181 OE1 GLN A 80 3.164 15.217 -15.273 1.00 0.00 O ATOM 1182 NE2 GLN A 80 1.723 16.133 -16.742 1.00 0.00 N ATOM 0 H GLN A 80 2.250 14.749 -12.735 1.00 0.00 H new ATOM 0 HA GLN A 80 1.983 17.168 -11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.051 17.984 -13.532 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.635 17.238 -13.612 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.792 15.097 -13.933 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.140 16.409 -14.895 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.813 16.572 -16.883 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.348 15.990 -17.535 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.797 15.545 -11.966 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.209 15.462 -11.633 1.00 0.00 C ATOM 1193 C GLN A 81 -2.387 15.179 -10.140 1.00 0.00 C ATOM 1194 O GLN A 81 -3.114 15.893 -9.451 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.911 14.398 -12.480 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.843 15.042 -13.507 1.00 0.00 C ATOM 1197 CD GLN A 81 -3.214 15.031 -14.902 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -3.808 14.599 -15.876 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.982 15.530 -14.943 1.00 0.00 N ATOM 0 H GLN A 81 -0.442 14.765 -12.520 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.672 16.423 -11.859 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.168 13.786 -12.991 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.482 13.732 -11.833 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.792 14.506 -13.528 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.062 16.068 -13.211 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.543 15.875 -14.089 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.476 15.568 -15.828 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.710 14.135 -9.683 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.783 13.749 -8.284 1.00 0.00 C ATOM 1210 C ALA A 82 -1.578 14.986 -7.407 1.00 0.00 C ATOM 1211 O ALA A 82 -2.438 15.326 -6.596 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.752 12.656 -8.001 1.00 0.00 C ATOM 0 H ALA A 82 -1.108 13.545 -10.257 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.765 13.338 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.807 12.367 -6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.960 11.789 -8.628 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.247 13.032 -8.222 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.432 15.624 -7.599 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.103 16.816 -6.835 1.00 0.00 C ATOM 1220 C ARG A 83 -1.273 17.801 -6.857 1.00 0.00 C ATOM 1221 O ARG A 83 -1.445 18.587 -5.926 1.00 0.00 O ATOM 1222 CB ARG A 83 1.144 17.502 -7.396 1.00 0.00 C ATOM 1223 CG ARG A 83 2.411 16.734 -7.016 1.00 0.00 C ATOM 1224 CD ARG A 83 3.660 17.587 -7.251 1.00 0.00 C ATOM 1225 NE ARG A 83 4.624 17.387 -6.146 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.231 16.222 -5.879 1.00 0.00 C ATOM 1227 NH1 ARG A 83 4.976 15.146 -6.635 1.00 0.00 N ATOM 1228 NH2 ARG A 83 6.091 16.134 -4.856 1.00 0.00 N ATOM 0 H ARG A 83 0.279 15.338 -8.272 1.00 0.00 H new ATOM 0 HA ARG A 83 0.096 16.508 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.068 17.571 -8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.205 18.522 -7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.360 16.437 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.476 15.818 -7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.122 17.317 -8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.384 18.639 -7.318 1.00 0.00 H new ATOM 0 HE ARG A 83 4.840 18.186 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.320 15.213 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.438 14.259 -6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.284 16.953 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.553 15.248 -4.653 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.048 17.727 -7.929 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.197 18.602 -8.085 1.00 0.00 C ATOM 1244 C LEU A 84 -4.401 17.989 -7.367 1.00 0.00 C ATOM 1245 O LEU A 84 -5.047 18.650 -6.556 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.449 18.898 -9.565 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.540 19.951 -10.202 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -2.506 19.797 -11.724 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -2.953 21.361 -9.778 1.00 0.00 C ATOM 0 H LEU A 84 -1.902 17.074 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.005 19.568 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.343 17.969 -10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.483 19.222 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.525 19.790 -9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.853 20.557 -12.152 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.128 18.807 -11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.513 19.916 -12.124 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.291 22.090 -10.245 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.979 21.550 -10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.884 21.450 -8.694 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.665 16.732 -7.691 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.780 16.022 -7.087 1.00 0.00 C ATOM 1263 C ILE A 85 -5.644 16.069 -5.564 1.00 0.00 C ATOM 1264 O ILE A 85 -6.625 16.289 -4.856 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.882 14.604 -7.652 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.028 14.629 -9.175 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.015 13.826 -6.980 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -6.058 13.211 -9.747 1.00 0.00 C ATOM 0 H ILE A 85 -4.126 16.187 -8.364 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.722 16.509 -7.338 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.954 14.079 -7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.944 15.154 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.199 15.184 -9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.066 12.821 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.827 13.762 -5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.961 14.339 -7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.162 13.258 -10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.131 12.697 -9.494 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.902 12.666 -9.325 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.419 15.859 -5.104 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.142 15.874 -3.678 1.00 0.00 C ATOM 1282 C ILE A 86 -4.146 17.320 -3.178 1.00 0.00 C ATOM 1283 O ILE A 86 -4.515 17.584 -2.035 1.00 0.00 O ATOM 1284 CB ILE A 86 -2.844 15.122 -3.377 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.625 15.928 -3.831 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -2.866 13.721 -3.990 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.392 15.031 -3.961 1.00 0.00 C ATOM 0 H ILE A 86 -3.607 15.678 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.923 15.345 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.764 14.999 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.835 16.404 -4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.425 16.726 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.932 13.209 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.701 13.156 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.981 13.799 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.460 15.629 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.170 14.576 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.587 14.249 -4.695 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.730 18.218 -4.059 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.681 19.631 -3.721 1.00 0.00 C ATOM 1301 C GLY A 87 -4.970 20.340 -4.140 1.00 0.00 C ATOM 1302 O GLY A 87 -4.938 21.494 -4.565 1.00 0.00 O ATOM 0 H GLY A 87 -3.424 17.995 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.530 19.747 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.828 20.097 -4.215 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.074 19.620 -4.006 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.372 20.166 -4.366 1.00 0.00 C ATOM 1308 C GLN A 88 -8.050 20.776 -3.137 1.00 0.00 C ATOM 1309 O GLN A 88 -7.438 20.883 -2.075 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.258 19.096 -5.007 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.093 19.087 -6.528 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.449 18.967 -7.226 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.488 19.308 -6.684 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.382 18.465 -8.456 1.00 0.00 N ATOM 0 H GLN A 88 -6.097 18.663 -3.653 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.221 20.955 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.001 18.116 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.301 19.282 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.595 20.002 -6.849 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.453 18.255 -6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.479 18.200 -8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.233 18.345 -9.005 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.304 21.160 -3.323 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.072 21.757 -2.243 1.00 0.00 C ATOM 1325 C GLN A 89 -11.241 20.848 -1.858 1.00 0.00 C ATOM 1326 O GLN A 89 -12.115 20.573 -2.679 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.567 23.152 -2.628 1.00 0.00 C ATOM 1328 CG GLN A 89 -10.541 23.344 -4.146 1.00 0.00 C ATOM 1329 CD GLN A 89 -11.570 22.441 -4.830 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -12.750 22.454 -4.520 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -11.058 21.657 -5.775 1.00 0.00 N ATOM 0 H GLN A 89 -9.808 21.070 -4.205 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.420 21.865 -1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.582 23.297 -2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.942 23.908 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.748 24.386 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.545 23.120 -4.528 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.061 21.696 -5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.663 21.017 -6.290 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.218 20.406 -0.609 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.265 19.533 -0.105 1.00 0.00 C ATOM 1342 C CYS A 90 -12.133 19.454 1.417 1.00 0.00 C ATOM 1343 O CYS A 90 -11.231 18.795 1.932 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.211 18.150 -0.755 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.766 17.822 -1.661 1.00 0.00 S ATOM 0 H CYS A 90 -10.491 20.636 0.069 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.241 19.945 -0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.364 18.093 -1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.057 17.387 0.008 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.708 16.645 -2.211 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.046 20.135 2.095 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.042 20.150 3.548 1.00 0.00 C ATOM 1353 C ASP A 91 -12.683 18.757 4.067 1.00 0.00 C ATOM 1354 O ASP A 91 -11.885 18.622 4.993 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.422 20.519 4.098 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.892 21.936 3.768 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.021 22.750 3.392 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -16.112 22.174 3.898 1.00 0.00 O ATOM 0 H ASP A 91 -13.793 20.680 1.665 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.313 20.891 3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.153 19.810 3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.408 20.400 5.181 1.00 0.00 H new ATOM 1363 N THR A 92 -13.289 17.755 3.447 1.00 0.00 N ATOM 1364 CA THR A 92 -13.043 16.376 3.836 1.00 0.00 C ATOM 1365 C THR A 92 -12.856 15.499 2.596 1.00 0.00 C ATOM 1366 O THR A 92 -13.798 15.281 1.837 1.00 0.00 O ATOM 1367 CB THR A 92 -14.198 15.924 4.731 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.347 16.987 5.669 1.00 0.00 O ATOM 1369 CG2 THR A 92 -13.831 14.715 5.594 1.00 0.00 C ATOM 0 H THR A 92 -13.950 17.870 2.678 1.00 0.00 H new ATOM 0 HA THR A 92 -12.118 16.284 4.404 1.00 0.00 H new ATOM 0 HB THR A 92 -15.062 15.680 4.113 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.077 16.777 6.288 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.685 14.435 6.210 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.558 13.878 4.951 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.988 14.969 6.237 1.00 0.00 H new ATOM 1377 N ILE A 93 -11.632 15.018 2.431 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.309 14.169 1.297 1.00 0.00 C ATOM 1379 C ILE A 93 -10.859 12.797 1.804 1.00 0.00 C ATOM 1380 O ILE A 93 -10.204 12.699 2.840 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.286 14.855 0.388 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -9.402 13.824 -0.318 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.460 15.880 1.168 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.193 13.457 0.545 1.00 0.00 C ATOM 0 H ILE A 93 -10.853 15.200 3.063 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.192 14.007 0.679 1.00 0.00 H new ATOM 0 HB ILE A 93 -10.827 15.399 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -9.984 12.928 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.063 14.224 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.741 16.353 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.122 16.639 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -8.928 15.379 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.581 12.723 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -7.600 14.351 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.535 13.035 1.490 1.00 0.00 H new ATOM 1396 N THR A 94 -11.229 11.773 1.050 1.00 0.00 N ATOM 1397 CA THR A 94 -10.872 10.411 1.410 1.00 0.00 C ATOM 1398 C THR A 94 -9.817 9.864 0.447 1.00 0.00 C ATOM 1399 O THR A 94 -9.685 10.349 -0.676 1.00 0.00 O ATOM 1400 CB THR A 94 -12.155 9.579 1.442 1.00 0.00 C ATOM 1401 OG1 THR A 94 -12.966 10.228 2.417 1.00 0.00 O ATOM 1402 CG2 THR A 94 -11.931 8.179 2.017 1.00 0.00 C ATOM 0 H THR A 94 -11.772 11.859 0.191 1.00 0.00 H new ATOM 0 HA THR A 94 -10.416 10.370 2.399 1.00 0.00 H new ATOM 0 HB THR A 94 -12.559 9.497 0.433 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.820 9.754 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.873 7.631 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.202 7.647 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.559 8.260 3.038 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.092 8.862 0.921 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.052 8.243 0.116 1.00 0.00 C ATOM 1412 C ILE A 95 -8.188 6.721 0.196 1.00 0.00 C ATOM 1413 O ILE A 95 -8.606 6.185 1.222 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.674 8.760 0.532 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.474 10.210 0.085 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.564 7.843 0.014 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.241 10.825 0.751 1.00 0.00 C ATOM 0 H ILE A 95 -9.204 8.463 1.853 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.167 8.519 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.620 8.748 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.363 10.248 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.358 10.797 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.595 8.234 0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.699 6.842 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.606 7.799 -1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.122 11.855 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.366 10.808 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.356 10.251 0.478 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.827 6.068 -0.898 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.903 4.619 -0.964 1.00 0.00 C ATOM 1431 C LEU A 96 -6.497 4.047 -1.155 1.00 0.00 C ATOM 1432 O LEU A 96 -6.078 3.784 -2.282 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.896 4.183 -2.044 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.929 2.687 -2.361 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.408 1.881 -1.151 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.774 2.408 -3.606 1.00 0.00 C ATOM 0 H LEU A 96 -7.481 6.516 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.288 4.215 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.895 4.491 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.664 4.724 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.912 2.363 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.422 0.821 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.731 2.046 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.412 2.202 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.781 1.337 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.795 2.752 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.350 2.936 -4.460 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.808 3.870 -0.038 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.458 3.334 -0.068 1.00 0.00 C ATOM 1450 C ALA A 97 -4.521 1.805 -0.064 1.00 0.00 C ATOM 1451 O ALA A 97 -5.592 1.225 0.106 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.662 3.888 1.115 1.00 0.00 C ATOM 0 H ALA A 97 -6.159 4.088 0.894 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.943 3.640 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.649 3.486 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.622 4.975 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.147 3.598 2.047 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.359 1.196 -0.253 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.269 -0.254 -0.273 1.00 0.00 C ATOM 1460 C GLN A 98 -1.804 -0.695 -0.246 1.00 0.00 C ATOM 1461 O GLN A 98 -1.235 -1.033 -1.283 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.993 -0.831 -1.491 1.00 0.00 C ATOM 1463 CG GLN A 98 -4.163 -2.346 -1.360 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.473 -2.982 -2.717 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -3.984 -2.565 -3.753 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -5.312 -4.013 -2.652 1.00 0.00 N ATOM 0 H GLN A 98 -2.472 1.680 -0.394 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.761 -0.642 0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.970 -0.359 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.430 -0.601 -2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.253 -2.783 -0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.968 -2.566 -0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.685 -4.311 -1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.582 -4.505 -3.504 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.236 -0.676 0.951 1.00 0.00 N ATOM 1476 CA TYR A 99 0.152 -1.070 1.126 1.00 0.00 C ATOM 1477 C TYR A 99 0.514 -2.231 0.197 1.00 0.00 C ATOM 1478 O TYR A 99 -0.258 -3.177 0.050 1.00 0.00 O ATOM 1479 CB TYR A 99 0.278 -1.536 2.578 1.00 0.00 C ATOM 1480 CG TYR A 99 1.705 -1.895 2.995 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.190 -3.167 2.771 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.508 -0.946 3.595 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.534 -3.505 3.164 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.852 -1.284 3.988 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.298 -2.547 3.753 1.00 0.00 C ATOM 1486 OH TYR A 99 5.567 -2.866 4.123 1.00 0.00 O ATOM 0 H TYR A 99 -1.711 -0.394 1.808 1.00 0.00 H new ATOM 0 HA TYR A 99 0.819 -0.240 0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.094 -0.750 3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.362 -2.405 2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.562 -3.909 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.129 0.050 3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.926 -4.497 2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.491 -0.551 4.458 1.00 0.00 H new ATOM 0 HH TYR A 99 5.995 -2.084 4.530 1.00 0.00 H new ATOM 1496 N ASN A 100 1.689 -2.120 -0.405 1.00 0.00 N ATOM 1497 CA ASN A 100 2.163 -3.148 -1.316 1.00 0.00 C ATOM 1498 C ASN A 100 3.614 -3.494 -0.976 1.00 0.00 C ATOM 1499 O ASN A 100 4.501 -2.650 -1.094 1.00 0.00 O ATOM 1500 CB ASN A 100 2.120 -2.662 -2.766 1.00 0.00 C ATOM 1501 CG ASN A 100 0.839 -3.127 -3.462 1.00 0.00 C ATOM 1502 OD1 ASN A 100 -0.144 -3.484 -2.835 1.00 0.00 O ATOM 1503 ND2 ASN A 100 0.906 -3.102 -4.790 1.00 0.00 N ATOM 0 H ASN A 100 2.327 -1.334 -0.280 1.00 0.00 H new ATOM 0 HA ASN A 100 1.516 -4.018 -1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.177 -1.574 -2.790 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.989 -3.039 -3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.102 -3.393 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.761 -2.792 -5.252 1.00 0.00 H new ATOM 1510 N PRO A 101 3.816 -4.770 -0.551 1.00 0.00 N ATOM 1511 CA PRO A 101 5.144 -5.238 -0.194 1.00 0.00 C ATOM 1512 C PRO A 101 5.994 -5.483 -1.442 1.00 0.00 C ATOM 1513 O PRO A 101 6.533 -6.573 -1.626 1.00 0.00 O ATOM 1514 CB PRO A 101 4.910 -6.499 0.623 1.00 0.00 C ATOM 1515 CG PRO A 101 3.494 -6.947 0.302 1.00 0.00 C ATOM 1516 CD PRO A 101 2.789 -5.797 -0.400 1.00 0.00 C ATOM 0 HA PRO A 101 5.707 -4.504 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.633 -7.272 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.025 -6.301 1.689 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.509 -7.832 -0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.964 -7.220 1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.393 -6.106 -1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.947 -5.431 0.187 1.00 0.00 H new