USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 488 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 15 ASN : amide:sc= -3.17! C(o=-3.2!,f=-2.1!) USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 48 ASN : amide:sc= -2.21! C(o=-2.2!,f=-4.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.373 K(o=-0.37,f=-1.5) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 81 SER OG : rot 180:sc= -0.12 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -79:sc= -0.512 USER MOD Single : A 95 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.440 19.703 9.913 1.00 0.00 N ATOM 145 CA LEU A 13 -3.905 18.918 8.813 1.00 0.00 C ATOM 146 C LEU A 13 -4.988 17.971 8.293 1.00 0.00 C ATOM 147 O LEU A 13 -5.705 17.352 9.078 1.00 0.00 O ATOM 148 CB LEU A 13 -2.618 18.207 9.237 1.00 0.00 C ATOM 149 CG LEU A 13 -1.402 19.105 9.471 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.331 18.376 10.285 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.851 19.638 8.147 1.00 0.00 C ATOM 0 HA LEU A 13 -3.624 19.567 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.818 17.653 10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.362 17.474 8.472 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.722 19.967 10.057 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.523 19.036 10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.743 18.087 11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.009 17.485 9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.013 20.273 8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.551 18.802 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.621 20.219 7.640 1.00 0.00 H new ATOM 163 N PRO A 14 -5.077 17.886 6.939 1.00 0.00 N ATOM 164 CA PRO A 14 -6.061 17.025 6.305 1.00 0.00 C ATOM 165 C PRO A 14 -5.648 15.555 6.405 1.00 0.00 C ATOM 166 O PRO A 14 -4.492 15.249 6.694 1.00 0.00 O ATOM 167 CB PRO A 14 -6.152 17.521 4.871 1.00 0.00 C ATOM 168 CG PRO A 14 -4.888 18.330 4.629 1.00 0.00 C ATOM 169 CD PRO A 14 -4.245 18.605 5.978 1.00 0.00 C ATOM 0 HA PRO A 14 -7.036 17.071 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.221 16.687 4.173 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.042 18.134 4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.202 17.782 3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.125 19.265 4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.214 18.252 6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.222 19.673 6.195 1.00 0.00 H new ATOM 177 N ASN A 15 -6.616 14.684 6.160 1.00 0.00 N ATOM 178 CA ASN A 15 -6.368 13.254 6.218 1.00 0.00 C ATOM 179 C ASN A 15 -7.392 12.527 5.345 1.00 0.00 C ATOM 180 O ASN A 15 -8.510 13.006 5.165 1.00 0.00 O ATOM 181 CB ASN A 15 -6.508 12.728 7.649 1.00 0.00 C ATOM 182 CG ASN A 15 -6.069 13.784 8.666 1.00 0.00 C ATOM 183 OD1 ASN A 15 -5.015 13.697 9.274 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.935 14.782 8.817 1.00 0.00 N ATOM 0 H ASN A 15 -7.574 14.941 5.921 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.353 13.074 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.544 12.445 7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.905 11.828 7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.735 15.536 9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.800 14.793 8.276 1.00 0.00 H new ATOM 191 N ARG A 16 -6.973 11.382 4.826 1.00 0.00 N ATOM 192 CA ARG A 16 -7.840 10.584 3.976 1.00 0.00 C ATOM 193 C ARG A 16 -7.566 9.093 4.188 1.00 0.00 C ATOM 194 O ARG A 16 -6.411 8.674 4.253 1.00 0.00 O ATOM 195 CB ARG A 16 -7.634 10.929 2.500 1.00 0.00 C ATOM 196 CG ARG A 16 -8.640 10.188 1.618 1.00 0.00 C ATOM 197 CD ARG A 16 -10.055 10.736 1.820 1.00 0.00 C ATOM 198 NE ARG A 16 -10.381 11.704 0.749 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.535 12.379 0.674 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.481 12.197 1.606 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.745 13.238 -0.334 1.00 0.00 N ATOM 0 H ARG A 16 -6.044 10.988 4.978 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.871 10.810 4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.741 12.004 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.619 10.667 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.354 10.288 0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.621 9.124 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.775 9.918 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.131 11.220 2.794 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.683 11.867 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.322 11.544 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.360 12.712 1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.026 13.377 -1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.624 13.752 -0.391 1.00 0.00 H new ATOM 215 N GLN A 17 -8.646 8.334 4.289 1.00 0.00 N ATOM 216 CA GLN A 17 -8.537 6.899 4.492 1.00 0.00 C ATOM 217 C GLN A 17 -9.358 6.150 3.441 1.00 0.00 C ATOM 218 O GLN A 17 -10.524 6.471 3.214 1.00 0.00 O ATOM 219 CB GLN A 17 -8.971 6.510 5.906 1.00 0.00 C ATOM 220 CG GLN A 17 -7.961 5.556 6.547 1.00 0.00 C ATOM 221 CD GLN A 17 -8.659 4.569 7.486 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.780 4.144 7.259 1.00 0.00 O ATOM 223 NE2 GLN A 17 -7.936 4.231 8.549 1.00 0.00 N ATOM 0 H GLN A 17 -9.602 8.685 4.234 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.491 6.615 4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.070 7.406 6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.952 6.037 5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.428 5.009 5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.217 6.127 7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.004 4.624 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.313 3.578 9.236 1.00 0.00 H new ATOM 232 N LEU A 18 -8.718 5.166 2.826 1.00 0.00 N ATOM 233 CA LEU A 18 -9.375 4.369 1.804 1.00 0.00 C ATOM 234 C LEU A 18 -9.069 2.889 2.043 1.00 0.00 C ATOM 235 O LEU A 18 -8.002 2.546 2.551 1.00 0.00 O ATOM 236 CB LEU A 18 -8.984 4.860 0.409 1.00 0.00 C ATOM 237 CG LEU A 18 -8.987 6.376 0.206 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.804 6.816 -0.658 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.324 6.850 -0.369 1.00 0.00 C ATOM 0 H LEU A 18 -7.751 4.903 3.016 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.457 4.486 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.987 4.485 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.666 4.415 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.869 6.851 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.830 7.898 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.872 6.531 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.866 6.333 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.299 7.931 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.497 6.368 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.129 6.588 0.318 1.00 0.00 H new ATOM 251 N LYS A 19 -10.024 2.052 1.666 1.00 0.00 N ATOM 252 CA LYS A 19 -9.870 0.617 1.834 1.00 0.00 C ATOM 253 C LYS A 19 -9.735 -0.041 0.459 1.00 0.00 C ATOM 254 O LYS A 19 -10.552 0.197 -0.430 1.00 0.00 O ATOM 255 CB LYS A 19 -11.014 0.050 2.677 1.00 0.00 C ATOM 256 CG LYS A 19 -12.329 0.057 1.893 1.00 0.00 C ATOM 257 CD LYS A 19 -12.690 -1.352 1.417 1.00 0.00 C ATOM 258 CE LYS A 19 -13.851 -1.313 0.421 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.147 -1.389 1.131 1.00 0.00 N ATOM 0 H LYS A 19 -10.907 2.340 1.245 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.957 0.394 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.775 -0.968 2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.126 0.639 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.129 0.449 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.242 0.724 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.821 -1.816 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.961 -1.971 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.804 -0.395 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.765 -2.143 -0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.924 -1.361 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.196 -2.277 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.234 -0.583 1.782 1.00 0.00 H new ATOM 273 N VAL A 20 -8.698 -0.855 0.327 1.00 0.00 N ATOM 274 CA VAL A 20 -8.446 -1.548 -0.925 1.00 0.00 C ATOM 275 C VAL A 20 -8.989 -2.975 -0.831 1.00 0.00 C ATOM 276 O VAL A 20 -8.443 -3.804 -0.104 1.00 0.00 O ATOM 277 CB VAL A 20 -6.954 -1.497 -1.259 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.647 -2.305 -2.522 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.473 -0.052 -1.403 1.00 0.00 C ATOM 0 H VAL A 20 -8.023 -1.050 1.066 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.967 -1.056 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.410 -1.950 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.580 -2.252 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.935 -3.345 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.207 -1.894 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.409 -0.045 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.027 0.438 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.640 0.482 -0.467 1.00 0.00 H new ATOM 289 N LYS A 21 -10.057 -3.218 -1.576 1.00 0.00 N ATOM 290 CA LYS A 21 -10.680 -4.531 -1.586 1.00 0.00 C ATOM 291 C LYS A 21 -9.842 -5.482 -2.442 1.00 0.00 C ATOM 292 O LYS A 21 -10.021 -5.552 -3.657 1.00 0.00 O ATOM 293 CB LYS A 21 -12.140 -4.428 -2.031 1.00 0.00 C ATOM 294 CG LYS A 21 -13.090 -4.655 -0.854 1.00 0.00 C ATOM 295 CD LYS A 21 -13.218 -6.145 -0.532 1.00 0.00 C ATOM 296 CE LYS A 21 -14.531 -6.438 0.197 1.00 0.00 C ATOM 297 NZ LYS A 21 -15.558 -6.914 -0.757 1.00 0.00 N ATOM 0 H LYS A 21 -10.507 -2.528 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.706 -4.948 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.323 -3.445 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.339 -5.164 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.723 -4.120 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.072 -4.245 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.172 -6.725 -1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.377 -6.461 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.366 -7.190 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.883 -5.538 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.443 -7.108 -0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.727 -6.184 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.226 -7.785 -1.218 1.00 0.00 H new ATOM 311 N VAL A 22 -8.944 -6.192 -1.774 1.00 0.00 N ATOM 312 CA VAL A 22 -8.077 -7.136 -2.459 1.00 0.00 C ATOM 313 C VAL A 22 -8.852 -8.427 -2.733 1.00 0.00 C ATOM 314 O VAL A 22 -10.064 -8.482 -2.531 1.00 0.00 O ATOM 315 CB VAL A 22 -6.804 -7.366 -1.641 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.093 -6.042 -1.351 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.112 -8.118 -0.346 1.00 0.00 C ATOM 0 H VAL A 22 -8.798 -6.132 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.761 -6.735 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.131 -7.985 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.192 -6.233 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.823 -5.561 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.758 -5.388 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.190 -8.268 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.812 -7.537 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.554 -9.086 -0.583 1.00 0.00 H new ATOM 643 N GLN A 44 7.187 0.246 -0.962 1.00 0.00 N ATOM 644 CA GLN A 44 7.555 1.201 0.070 1.00 0.00 C ATOM 645 C GLN A 44 8.513 2.251 -0.495 1.00 0.00 C ATOM 646 O GLN A 44 8.482 3.410 -0.084 1.00 0.00 O ATOM 647 CB GLN A 44 8.169 0.492 1.279 1.00 0.00 C ATOM 648 CG GLN A 44 9.263 -0.484 0.845 1.00 0.00 C ATOM 649 CD GLN A 44 10.416 -0.499 1.851 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.223 -0.489 3.055 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.622 -0.524 1.291 1.00 0.00 N ATOM 0 HA GLN A 44 6.651 1.708 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.586 1.230 1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.392 -0.045 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.845 -1.486 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.638 -0.202 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.712 -0.531 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.456 -0.536 1.877 1.00 0.00 H new ATOM 660 N GLU A 45 9.341 1.808 -1.430 1.00 0.00 N ATOM 661 CA GLU A 45 10.307 2.695 -2.056 1.00 0.00 C ATOM 662 C GLU A 45 9.592 3.712 -2.948 1.00 0.00 C ATOM 663 O GLU A 45 9.699 4.918 -2.729 1.00 0.00 O ATOM 664 CB GLU A 45 11.345 1.902 -2.851 1.00 0.00 C ATOM 665 CG GLU A 45 12.643 1.745 -2.056 1.00 0.00 C ATOM 666 CD GLU A 45 13.411 0.499 -2.500 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.147 0.614 -3.504 1.00 0.00 O ATOM 668 OE2 GLU A 45 13.246 -0.540 -1.826 1.00 0.00 O ATOM 0 H GLU A 45 9.363 0.846 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 45 10.836 3.237 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.945 0.919 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.551 2.409 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.266 2.629 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.416 1.677 -0.992 1.00 0.00 H new ATOM 675 N ALA A 46 8.880 3.189 -3.935 1.00 0.00 N ATOM 676 CA ALA A 46 8.148 4.036 -4.861 1.00 0.00 C ATOM 677 C ALA A 46 7.369 5.091 -4.073 1.00 0.00 C ATOM 678 O ALA A 46 7.500 6.286 -4.332 1.00 0.00 O ATOM 679 CB ALA A 46 7.238 3.170 -5.735 1.00 0.00 C ATOM 0 H ALA A 46 8.794 2.188 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 46 8.834 4.561 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.689 3.805 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.843 2.457 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.533 2.630 -5.103 1.00 0.00 H new ATOM 685 N ILE A 47 6.574 4.610 -3.128 1.00 0.00 N ATOM 686 CA ILE A 47 5.773 5.497 -2.301 1.00 0.00 C ATOM 687 C ILE A 47 6.699 6.425 -1.512 1.00 0.00 C ATOM 688 O ILE A 47 6.543 7.645 -1.554 1.00 0.00 O ATOM 689 CB ILE A 47 4.816 4.691 -1.422 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.593 4.232 -2.219 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.422 5.481 -0.172 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.109 2.862 -1.741 1.00 0.00 C ATOM 0 H ILE A 47 6.467 3.618 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 47 5.140 6.130 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 47 5.336 3.794 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.791 4.962 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.842 4.184 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.741 4.885 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.315 5.715 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.929 6.407 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.239 2.560 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.905 2.129 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.837 2.920 -0.687 1.00 0.00 H new ATOM 704 N ASN A 48 7.642 5.813 -0.811 1.00 0.00 N ATOM 705 CA ASN A 48 8.592 6.569 -0.014 1.00 0.00 C ATOM 706 C ASN A 48 9.075 7.779 -0.816 1.00 0.00 C ATOM 707 O ASN A 48 9.248 8.865 -0.264 1.00 0.00 O ATOM 708 CB ASN A 48 9.813 5.718 0.341 1.00 0.00 C ATOM 709 CG ASN A 48 9.610 4.996 1.674 1.00 0.00 C ATOM 710 OD1 ASN A 48 8.748 5.334 2.468 1.00 0.00 O ATOM 711 ND2 ASN A 48 10.450 3.985 1.875 1.00 0.00 N ATOM 0 H ASN A 48 7.768 4.801 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 48 8.091 6.881 0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.994 4.988 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.698 6.352 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.395 3.440 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.149 3.755 1.169 1.00 0.00 H new ATOM 718 N ASP A 49 9.279 7.551 -2.105 1.00 0.00 N ATOM 719 CA ASP A 49 9.739 8.609 -2.988 1.00 0.00 C ATOM 720 C ASP A 49 8.626 9.644 -3.160 1.00 0.00 C ATOM 721 O ASP A 49 8.873 10.846 -3.084 1.00 0.00 O ATOM 722 CB ASP A 49 10.090 8.058 -4.372 1.00 0.00 C ATOM 723 CG ASP A 49 11.059 8.919 -5.184 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.755 9.742 -4.551 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.081 8.736 -6.420 1.00 0.00 O ATOM 0 H ASP A 49 9.134 6.649 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 49 10.627 9.057 -2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.523 7.065 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.169 7.937 -4.943 1.00 0.00 H new ATOM 730 N LEU A 50 7.422 9.139 -3.389 1.00 0.00 N ATOM 731 CA LEU A 50 6.270 10.004 -3.573 1.00 0.00 C ATOM 732 C LEU A 50 6.000 10.769 -2.276 1.00 0.00 C ATOM 733 O LEU A 50 5.356 11.817 -2.291 1.00 0.00 O ATOM 734 CB LEU A 50 5.069 9.199 -4.072 1.00 0.00 C ATOM 735 CG LEU A 50 4.913 9.098 -5.591 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.107 7.857 -5.979 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.305 10.379 -6.166 1.00 0.00 C ATOM 0 H LEU A 50 7.220 8.141 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 50 6.471 10.746 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.139 8.190 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.163 9.645 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 50 5.905 8.987 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.011 7.810 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.619 6.964 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.116 7.912 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.205 10.281 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.323 10.546 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.954 11.224 -5.937 1.00 0.00 H new ATOM 749 N VAL A 51 6.507 10.216 -1.184 1.00 0.00 N ATOM 750 CA VAL A 51 6.330 10.834 0.119 1.00 0.00 C ATOM 751 C VAL A 51 7.426 11.879 0.338 1.00 0.00 C ATOM 752 O VAL A 51 7.246 12.820 1.109 1.00 0.00 O ATOM 753 CB VAL A 51 6.302 9.759 1.208 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.316 10.390 2.602 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.095 8.835 1.037 1.00 0.00 C ATOM 0 H VAL A 51 7.040 9.347 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 51 5.373 11.353 0.168 1.00 0.00 H new ATOM 0 HB VAL A 51 7.203 9.155 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.296 9.604 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.221 10.986 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.442 11.030 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.100 8.081 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.177 9.420 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.147 8.345 0.065 1.00 0.00 H new ATOM 765 N LYS A 52 8.537 11.677 -0.355 1.00 0.00 N ATOM 766 CA LYS A 52 9.662 12.590 -0.246 1.00 0.00 C ATOM 767 C LYS A 52 9.502 13.715 -1.271 1.00 0.00 C ATOM 768 O LYS A 52 9.999 14.821 -1.068 1.00 0.00 O ATOM 769 CB LYS A 52 10.984 11.830 -0.370 1.00 0.00 C ATOM 770 CG LYS A 52 11.310 11.083 0.925 1.00 0.00 C ATOM 771 CD LYS A 52 12.775 11.281 1.317 1.00 0.00 C ATOM 772 CE LYS A 52 13.450 9.940 1.614 1.00 0.00 C ATOM 773 NZ LYS A 52 14.652 10.139 2.454 1.00 0.00 N ATOM 0 H LYS A 52 8.682 10.895 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 52 9.680 13.055 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.925 11.123 -1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.788 12.528 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.664 11.439 1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.104 10.020 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.305 11.788 0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.836 11.925 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.749 9.278 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.729 9.452 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.098 9.219 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.327 10.753 1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.378 10.585 3.353 1.00 0.00 H new ATOM 787 N LYS A 53 8.805 13.393 -2.351 1.00 0.00 N ATOM 788 CA LYS A 53 8.572 14.362 -3.408 1.00 0.00 C ATOM 789 C LYS A 53 7.545 15.392 -2.934 1.00 0.00 C ATOM 790 O LYS A 53 7.641 16.571 -3.270 1.00 0.00 O ATOM 791 CB LYS A 53 8.179 13.655 -4.707 1.00 0.00 C ATOM 792 CG LYS A 53 9.415 13.126 -5.438 1.00 0.00 C ATOM 793 CD LYS A 53 9.431 13.592 -6.896 1.00 0.00 C ATOM 794 CE LYS A 53 8.140 13.192 -7.614 1.00 0.00 C ATOM 795 NZ LYS A 53 7.772 14.210 -8.624 1.00 0.00 N ATOM 0 H LYS A 53 8.394 12.474 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 53 9.489 14.906 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.502 12.830 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.638 14.347 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.317 13.471 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.426 12.037 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.552 14.675 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.288 13.157 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.270 12.223 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.333 13.082 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.894 13.923 -9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.628 15.127 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.536 14.296 -9.325 1.00 0.00 H new ATOM 809 N TYR A 54 6.584 14.908 -2.160 1.00 0.00 N ATOM 810 CA TYR A 54 5.539 15.772 -1.636 1.00 0.00 C ATOM 811 C TYR A 54 6.011 16.500 -0.375 1.00 0.00 C ATOM 812 O TYR A 54 7.064 16.179 0.174 1.00 0.00 O ATOM 813 CB TYR A 54 4.373 14.850 -1.272 1.00 0.00 C ATOM 814 CG TYR A 54 3.505 14.445 -2.465 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.096 14.009 -3.633 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.130 14.517 -2.373 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.279 13.628 -4.755 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.312 14.136 -3.496 1.00 0.00 C ATOM 819 CZ TYR A 54 1.927 13.710 -4.631 1.00 0.00 C ATOM 820 OH TYR A 54 1.155 13.350 -5.692 1.00 0.00 O ATOM 0 H TYR A 54 6.507 13.929 -1.883 1.00 0.00 H new ATOM 0 HA TYR A 54 5.261 16.528 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.768 13.950 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.746 15.348 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.172 13.954 -3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.667 14.859 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.729 13.285 -5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.235 14.188 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 54 0.209 13.458 -5.460 1.00 0.00 H new ATOM 830 N THR A 55 5.208 17.466 0.047 1.00 0.00 N ATOM 831 CA THR A 55 5.530 18.241 1.232 1.00 0.00 C ATOM 832 C THR A 55 4.657 17.803 2.410 1.00 0.00 C ATOM 833 O THR A 55 3.432 17.902 2.350 1.00 0.00 O ATOM 834 CB THR A 55 5.380 19.723 0.883 1.00 0.00 C ATOM 835 OG1 THR A 55 6.710 20.150 0.600 1.00 0.00 O ATOM 836 CG2 THR A 55 4.965 20.570 2.088 1.00 0.00 C ATOM 0 H THR A 55 4.335 17.729 -0.411 1.00 0.00 H new ATOM 0 HA THR A 55 6.559 18.069 1.549 1.00 0.00 H new ATOM 0 HB THR A 55 4.642 19.835 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.705 21.101 0.362 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.873 21.613 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.007 20.217 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.720 20.485 2.870 1.00 0.00 H new ATOM 844 N LEU A 56 5.321 17.328 3.453 1.00 0.00 N ATOM 845 CA LEU A 56 4.621 16.875 4.643 1.00 0.00 C ATOM 846 C LEU A 56 3.688 15.721 4.271 1.00 0.00 C ATOM 847 O LEU A 56 2.534 15.690 4.696 1.00 0.00 O ATOM 848 CB LEU A 56 3.910 18.045 5.325 1.00 0.00 C ATOM 849 CG LEU A 56 4.737 18.827 6.349 1.00 0.00 C ATOM 850 CD1 LEU A 56 4.030 20.123 6.749 1.00 0.00 C ATOM 851 CD2 LEU A 56 5.070 17.958 7.563 1.00 0.00 C ATOM 0 H LEU A 56 6.337 17.247 3.499 1.00 0.00 H new ATOM 0 HA LEU A 56 5.328 16.491 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.572 18.738 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.019 17.663 5.823 1.00 0.00 H new ATOM 0 HG LEU A 56 5.682 19.106 5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.638 20.660 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.886 20.746 5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.061 19.888 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.658 18.537 8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.146 17.628 8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.643 17.088 7.242 1.00 0.00 H new ATOM 863 N ALA A 57 4.222 14.800 3.482 1.00 0.00 N ATOM 864 CA ALA A 57 3.451 13.648 3.048 1.00 0.00 C ATOM 865 C ALA A 57 3.796 12.447 3.932 1.00 0.00 C ATOM 866 O ALA A 57 4.923 12.327 4.410 1.00 0.00 O ATOM 867 CB ALA A 57 3.724 13.378 1.567 1.00 0.00 C ATOM 0 H ALA A 57 5.180 14.829 3.132 1.00 0.00 H new ATOM 0 HA ALA A 57 2.383 13.840 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.145 12.513 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.436 14.249 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.786 13.178 1.423 1.00 0.00 H new ATOM 873 N ARG A 58 2.805 11.589 4.123 1.00 0.00 N ATOM 874 CA ARG A 58 2.989 10.402 4.941 1.00 0.00 C ATOM 875 C ARG A 58 1.840 9.418 4.714 1.00 0.00 C ATOM 876 O ARG A 58 0.673 9.773 4.869 1.00 0.00 O ATOM 877 CB ARG A 58 3.057 10.762 6.426 1.00 0.00 C ATOM 878 CG ARG A 58 4.289 10.140 7.085 1.00 0.00 C ATOM 879 CD ARG A 58 4.213 10.256 8.609 1.00 0.00 C ATOM 880 NE ARG A 58 4.557 11.633 9.030 1.00 0.00 N ATOM 881 CZ ARG A 58 4.393 12.100 10.275 1.00 0.00 C ATOM 882 NH1 ARG A 58 3.891 11.304 11.229 1.00 0.00 N ATOM 883 NH2 ARG A 58 4.733 13.363 10.567 1.00 0.00 N ATOM 0 H ARG A 58 1.871 11.692 3.725 1.00 0.00 H new ATOM 0 HA ARG A 58 3.931 9.940 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.087 11.846 6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.156 10.413 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.368 9.091 6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.189 10.637 6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.210 10.002 8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.897 9.544 9.071 1.00 0.00 H new ATOM 0 HE ARG A 58 4.943 12.265 8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.634 10.342 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.766 11.660 12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.117 13.969 9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.608 13.719 11.515 1.00 0.00 H new ATOM 897 N ALA A 59 2.211 8.199 4.350 1.00 0.00 N ATOM 898 CA ALA A 59 1.226 7.160 4.100 1.00 0.00 C ATOM 899 C ALA A 59 1.703 5.849 4.728 1.00 0.00 C ATOM 900 O ALA A 59 2.870 5.722 5.097 1.00 0.00 O ATOM 901 CB ALA A 59 0.990 7.033 2.594 1.00 0.00 C ATOM 0 H ALA A 59 3.180 7.908 4.222 1.00 0.00 H new ATOM 0 HA ALA A 59 0.272 7.417 4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.251 6.254 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.624 7.982 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.926 6.773 2.100 1.00 0.00 H new ATOM 907 N PHE A 60 0.777 4.907 4.830 1.00 0.00 N ATOM 908 CA PHE A 60 1.089 3.611 5.407 1.00 0.00 C ATOM 909 C PHE A 60 0.050 2.565 4.998 1.00 0.00 C ATOM 910 O PHE A 60 -0.901 2.876 4.282 1.00 0.00 O ATOM 911 CB PHE A 60 1.055 3.778 6.927 1.00 0.00 C ATOM 912 CG PHE A 60 2.396 4.191 7.538 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.545 3.594 7.122 1.00 0.00 C ATOM 914 CD2 PHE A 60 2.438 5.154 8.497 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.789 3.978 7.688 1.00 0.00 C ATOM 916 CE2 PHE A 60 3.683 5.537 9.064 1.00 0.00 C ATOM 917 CZ PHE A 60 4.832 4.941 8.647 1.00 0.00 C ATOM 0 H PHE A 60 -0.190 5.016 4.523 1.00 0.00 H new ATOM 0 HA PHE A 60 2.064 3.273 5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.305 4.526 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.736 2.839 7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.511 2.828 6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.525 5.627 8.828 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.702 3.505 7.357 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.717 6.301 9.826 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.779 5.233 9.078 1.00 0.00 H new ATOM 927 N VAL A 61 0.266 1.346 5.470 1.00 0.00 N ATOM 928 CA VAL A 61 -0.639 0.252 5.162 1.00 0.00 C ATOM 929 C VAL A 61 -0.555 -0.801 6.268 1.00 0.00 C ATOM 930 O VAL A 61 0.535 -1.135 6.731 1.00 0.00 O ATOM 931 CB VAL A 61 -0.326 -0.312 3.774 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.996 0.522 2.680 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.184 -0.403 3.548 1.00 0.00 C ATOM 0 H VAL A 61 1.055 1.092 6.064 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.669 0.607 5.129 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.734 -1.322 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.758 0.100 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.076 0.513 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.632 1.548 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.380 -0.807 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.625 0.591 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.625 -1.058 4.299 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.643 -4.190 2.888 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.441 -3.434 3.195 1.00 0.00 C ATOM 1061 C VAL A 70 -6.804 -1.959 3.377 1.00 0.00 C ATOM 1062 O VAL A 70 -7.517 -1.385 2.555 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.388 -3.660 2.108 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.141 -2.813 2.368 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.029 -5.143 1.993 1.00 0.00 C ATOM 0 HA VAL A 70 -6.002 -3.779 4.131 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.815 -3.344 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.409 -2.993 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.413 -1.758 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.711 -3.084 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.279 -5.276 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.631 -5.496 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.922 -5.715 1.739 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.298 -1.387 4.460 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.560 0.010 4.760 1.00 0.00 C ATOM 1077 C ARG A 71 -5.394 0.882 4.290 1.00 0.00 C ATOM 1078 O ARG A 71 -4.233 0.507 4.443 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.773 0.220 6.261 1.00 0.00 C ATOM 1080 CG ARG A 71 -8.207 -0.126 6.665 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.670 0.739 7.840 1.00 0.00 C ATOM 1082 NE ARG A 71 -9.696 0.018 8.625 1.00 0.00 N ATOM 1083 CZ ARG A 71 -11.004 0.017 8.331 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -11.452 0.698 7.268 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -11.863 -0.666 9.101 1.00 0.00 N ATOM 0 H ARG A 71 -5.708 -1.866 5.140 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.469 0.298 4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.074 -0.401 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.558 1.257 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.874 0.022 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.267 -1.179 6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.821 0.987 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.077 1.680 7.471 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.389 -0.511 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.798 1.217 6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.447 0.697 7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.521 -1.185 9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.858 -0.667 8.878 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.744 2.030 3.728 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.741 2.958 3.235 1.00 0.00 C ATOM 1101 C VAL A 72 -4.957 4.327 3.883 1.00 0.00 C ATOM 1102 O VAL A 72 -6.087 4.804 3.973 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.781 3.008 1.706 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.205 4.326 1.185 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.045 1.811 1.100 1.00 0.00 C ATOM 0 H VAL A 72 -6.708 2.338 3.603 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.741 2.622 3.510 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.825 2.953 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.245 4.335 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.789 5.159 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.169 4.424 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.088 1.870 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.004 1.822 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.518 0.887 1.432 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.855 4.920 4.319 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.909 6.225 4.956 1.00 0.00 C ATOM 1117 C TYR A 73 -2.863 7.170 4.362 1.00 0.00 C ATOM 1118 O TYR A 73 -1.749 6.751 4.050 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.584 5.987 6.432 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.852 7.195 7.331 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.061 7.858 7.255 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.886 7.623 8.219 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.313 8.995 8.101 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.138 8.761 9.065 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.339 9.390 8.964 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.578 10.465 9.763 1.00 0.00 O ATOM 0 H TYR A 73 -2.919 4.521 4.244 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.888 6.682 4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.172 5.142 6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.535 5.706 6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.818 7.523 6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.941 7.104 8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.254 9.522 8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.390 9.107 9.763 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.795 10.633 10.329 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.259 8.426 4.222 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.369 9.434 3.670 1.00 0.00 C ATOM 1138 C ALA A 74 -2.696 10.793 4.294 1.00 0.00 C ATOM 1139 O ALA A 74 -3.789 10.991 4.821 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.495 9.447 2.146 1.00 0.00 C ATOM 0 H ALA A 74 -4.184 8.769 4.481 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.331 9.202 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.828 10.203 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.224 8.468 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.523 9.679 1.868 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.727 11.693 4.212 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.898 13.028 4.761 1.00 0.00 C ATOM 1148 C GLU A 75 -0.827 13.970 4.209 1.00 0.00 C ATOM 1149 O GLU A 75 0.349 13.614 4.153 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.868 12.999 6.290 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.583 12.344 6.801 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.122 12.987 8.111 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.221 14.230 8.198 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.318 12.222 8.995 1.00 0.00 O ATOM 0 H GLU A 75 -0.821 11.524 3.774 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.875 13.403 4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.942 14.015 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.733 12.451 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.750 11.278 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.201 12.439 6.050 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.271 15.154 3.816 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.365 16.151 3.270 1.00 0.00 C ATOM 1163 C ALA A 76 -0.731 17.527 3.829 1.00 0.00 C ATOM 1164 O ALA A 76 -1.867 17.751 4.244 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.421 16.109 1.742 1.00 0.00 C ATOM 0 H ALA A 76 -2.247 15.446 3.865 1.00 0.00 H new ATOM 0 HA ALA A 76 0.663 15.938 3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.258 16.857 1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.124 15.120 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.437 16.321 1.409 1.00 0.00 H new ATOM 1171 N ASN A 77 0.254 18.414 3.823 1.00 0.00 N ATOM 1172 CA ASN A 77 0.050 19.762 4.324 1.00 0.00 C ATOM 1173 C ASN A 77 -1.170 20.378 3.637 1.00 0.00 C ATOM 1174 O ASN A 77 -1.770 21.319 4.155 1.00 0.00 O ATOM 1175 CB ASN A 77 1.259 20.650 4.025 1.00 0.00 C ATOM 1176 CG ASN A 77 1.350 21.807 5.022 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.492 22.000 5.868 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.435 22.562 4.877 1.00 0.00 N ATOM 0 H ASN A 77 1.195 18.225 3.479 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.095 19.702 5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.171 20.055 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.184 21.044 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.588 23.359 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.114 22.344 4.148 1.00 0.00 H new ATOM 1185 N SER A 78 -1.501 19.823 2.480 1.00 0.00 N ATOM 1186 CA SER A 78 -2.639 20.306 1.716 1.00 0.00 C ATOM 1187 C SER A 78 -3.616 19.159 1.450 1.00 0.00 C ATOM 1188 O SER A 78 -3.202 18.056 1.096 1.00 0.00 O ATOM 1189 CB SER A 78 -2.189 20.937 0.397 1.00 0.00 C ATOM 1190 OG SER A 78 -0.917 21.568 0.514 1.00 0.00 O ATOM 0 H SER A 78 -1.001 19.043 2.053 1.00 0.00 H new ATOM 0 HA SER A 78 -3.143 21.075 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.143 20.169 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.929 21.670 0.075 1.00 0.00 H new ATOM 0 HG SER A 78 -0.664 21.957 -0.349 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.894 19.459 1.630 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.933 18.466 1.413 1.00 0.00 C ATOM 1198 C GLN A 79 -5.828 17.887 0.001 1.00 0.00 C ATOM 1199 O GLN A 79 -6.009 16.687 -0.197 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.320 19.062 1.660 1.00 0.00 C ATOM 1201 CG GLN A 79 -8.361 17.960 1.867 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.712 18.362 1.271 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -10.143 19.500 1.356 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -10.353 17.368 0.663 1.00 0.00 N ATOM 0 H GLN A 79 -5.234 20.375 1.923 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.789 17.656 2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.291 19.709 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.608 19.685 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.015 17.036 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.475 17.758 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.936 16.438 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.262 17.536 0.232 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.536 18.768 -0.945 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.405 18.360 -2.333 1.00 0.00 C ATOM 1215 C GLU A 80 -4.438 17.180 -2.450 1.00 0.00 C ATOM 1216 O GLU A 80 -4.772 16.156 -3.045 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.950 19.530 -3.208 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.888 19.718 -4.402 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.659 18.632 -5.456 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -6.078 17.485 -5.189 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.071 18.974 -6.504 1.00 0.00 O ATOM 0 H GLU A 80 -5.386 19.763 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.384 18.040 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.923 20.444 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.935 19.350 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.924 19.689 -4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.725 20.700 -4.846 1.00 0.00 H new ATOM 1228 N SER A 81 -3.259 17.362 -1.874 1.00 0.00 N ATOM 1229 CA SER A 81 -2.242 16.325 -1.906 1.00 0.00 C ATOM 1230 C SER A 81 -2.616 15.194 -0.945 1.00 0.00 C ATOM 1231 O SER A 81 -2.357 14.025 -1.226 1.00 0.00 O ATOM 1232 CB SER A 81 -0.866 16.891 -1.549 1.00 0.00 C ATOM 1233 OG SER A 81 -0.921 18.287 -1.267 1.00 0.00 O ATOM 0 H SER A 81 -2.985 18.213 -1.382 1.00 0.00 H new ATOM 0 HA SER A 81 -2.190 15.929 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.469 16.361 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.176 16.714 -2.374 1.00 0.00 H new ATOM 0 HG SER A 81 -0.024 18.611 -1.042 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.220 15.583 0.168 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.633 14.617 1.172 1.00 0.00 C ATOM 1241 C ALA A 82 -4.513 13.550 0.516 1.00 0.00 C ATOM 1242 O ALA A 82 -4.534 12.402 0.956 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.349 15.341 2.314 1.00 0.00 C ATOM 0 H ALA A 82 -3.433 16.554 0.397 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.766 14.113 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.659 14.616 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.673 16.067 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.227 15.857 1.924 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.216 13.968 -0.526 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.095 13.064 -1.247 1.00 0.00 C ATOM 1251 C ASP A 83 -5.315 12.399 -2.383 1.00 0.00 C ATOM 1252 O ASP A 83 -5.232 11.174 -2.450 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.277 13.817 -1.862 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.801 14.988 -1.029 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -7.803 14.845 0.213 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -8.188 16.000 -1.653 1.00 0.00 O ATOM 0 H ASP A 83 -5.195 14.921 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.469 12.323 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.980 14.192 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.093 13.112 -2.024 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.764 13.237 -3.249 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.993 12.746 -4.378 1.00 0.00 C ATOM 1263 C ARG A 84 -3.133 11.553 -3.956 1.00 0.00 C ATOM 1264 O ARG A 84 -3.298 10.450 -4.475 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.089 13.842 -4.947 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.251 13.955 -6.464 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.110 13.242 -7.192 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.541 12.856 -8.554 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.477 13.665 -9.619 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.999 14.910 -9.487 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.890 13.230 -10.817 1.00 0.00 N ATOM 0 H ARG A 84 -4.836 14.253 -3.191 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.697 12.435 -5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.331 14.797 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.049 13.623 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.205 13.523 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.272 15.006 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.239 13.895 -7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.808 12.357 -6.633 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.910 11.915 -8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.684 15.241 -8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.950 15.526 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.253 12.282 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.841 13.847 -11.628 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.234 11.815 -3.019 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.348 10.776 -2.522 1.00 0.00 C ATOM 1287 C LEU A 85 -2.176 9.552 -2.125 1.00 0.00 C ATOM 1288 O LEU A 85 -1.904 8.442 -2.579 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.470 11.317 -1.391 1.00 0.00 C ATOM 1290 CG LEU A 85 0.789 10.509 -1.074 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.944 10.909 -1.994 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.164 10.634 0.404 1.00 0.00 C ATOM 0 H LEU A 85 -2.100 12.731 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.660 10.456 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.171 12.334 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.075 11.379 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 85 0.576 9.457 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.827 10.319 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.663 10.725 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.166 11.968 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.063 10.050 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.351 11.681 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.346 10.261 1.020 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.168 9.797 -1.283 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.038 8.728 -0.820 1.00 0.00 C ATOM 1306 C ALA A 86 -4.520 7.913 -2.022 1.00 0.00 C ATOM 1307 O ALA A 86 -4.282 6.708 -2.095 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.196 9.323 -0.017 1.00 0.00 C ATOM 0 H ALA A 86 -3.390 10.720 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.497 8.052 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.848 8.521 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.802 9.867 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.765 10.005 -0.649 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.189 8.602 -2.934 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.706 7.957 -4.129 1.00 0.00 C ATOM 1316 C TYR A 87 -4.617 7.141 -4.827 1.00 0.00 C ATOM 1317 O TYR A 87 -4.710 5.917 -4.911 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.155 9.087 -5.058 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.126 8.720 -6.543 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -6.494 7.454 -6.948 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.732 9.657 -7.477 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -6.467 7.109 -8.346 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.705 9.312 -8.875 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.074 8.054 -9.240 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.048 7.729 -10.560 1.00 0.00 O ATOM 0 H TYR A 87 -5.385 9.601 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.519 7.276 -3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.168 9.385 -4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.514 9.953 -4.896 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.802 6.721 -6.217 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.444 10.648 -7.160 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.753 6.121 -8.676 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.399 10.035 -9.617 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.748 8.503 -11.082 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.608 7.852 -5.311 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.502 7.209 -5.999 1.00 0.00 C ATOM 1337 C GLU A 88 -2.096 5.927 -5.269 1.00 0.00 C ATOM 1338 O GLU A 88 -2.018 4.860 -5.877 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.313 8.162 -6.137 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.621 9.281 -7.134 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.544 9.361 -8.218 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.607 9.682 -7.852 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.896 9.099 -9.388 1.00 0.00 O ATOM 0 H GLU A 88 -3.534 8.867 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.830 6.943 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.072 8.592 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.434 7.608 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.593 9.105 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.685 10.234 -6.609 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.847 6.074 -3.976 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.450 4.941 -3.157 1.00 0.00 C ATOM 1352 C VAL A 89 -2.526 3.857 -3.239 1.00 0.00 C ATOM 1353 O VAL A 89 -2.296 2.791 -3.809 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.175 5.403 -1.725 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.057 4.208 -0.776 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.079 6.277 -1.662 1.00 0.00 C ATOM 0 H VAL A 89 -1.912 6.960 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.522 4.507 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.022 6.007 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.861 4.564 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.988 3.641 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.237 3.566 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.252 6.592 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.938 5.707 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.058 7.156 -2.292 1.00 0.00 H new ATOM 1366 N SER A 90 -3.678 4.165 -2.660 1.00 0.00 N ATOM 1367 CA SER A 90 -4.790 3.230 -2.661 1.00 0.00 C ATOM 1368 C SER A 90 -4.902 2.551 -4.027 1.00 0.00 C ATOM 1369 O SER A 90 -5.013 1.328 -4.109 1.00 0.00 O ATOM 1370 CB SER A 90 -6.102 3.934 -2.309 1.00 0.00 C ATOM 1371 OG SER A 90 -6.172 5.243 -2.868 1.00 0.00 O ATOM 0 H SER A 90 -3.865 5.049 -2.187 1.00 0.00 H new ATOM 0 HA SER A 90 -4.600 2.472 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.941 3.340 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.200 3.997 -1.225 1.00 0.00 H new ATOM 0 HG SER A 90 -5.641 5.860 -2.323 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.868 3.373 -5.066 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.964 2.866 -6.424 1.00 0.00 C ATOM 1379 C LEU A 91 -3.796 1.916 -6.693 1.00 0.00 C ATOM 1380 O LEU A 91 -3.999 0.792 -7.152 1.00 0.00 O ATOM 1381 CB LEU A 91 -5.058 4.023 -7.421 1.00 0.00 C ATOM 1382 CG LEU A 91 -3.867 4.192 -8.367 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -3.775 3.021 -9.347 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -3.927 5.540 -9.088 1.00 0.00 C ATOM 0 H LEU A 91 -4.775 4.386 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.880 2.289 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.957 3.887 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.186 4.949 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.954 4.186 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.920 3.166 -10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.651 2.091 -8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.688 2.971 -9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.069 5.635 -9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.847 5.601 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.908 6.346 -8.355 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.599 2.401 -6.398 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.399 1.608 -6.602 1.00 0.00 C ATOM 1398 C LEU A 92 -1.626 0.197 -6.057 1.00 0.00 C ATOM 1399 O LEU A 92 -1.597 -0.775 -6.810 1.00 0.00 O ATOM 1400 CB LEU A 92 -0.182 2.313 -5.998 1.00 0.00 C ATOM 1401 CG LEU A 92 0.456 3.405 -6.859 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.564 4.129 -6.092 1.00 0.00 C ATOM 1403 CD2 LEU A 92 0.956 2.834 -8.187 1.00 0.00 C ATOM 0 H LEU A 92 -2.435 3.334 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.185 1.508 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.478 2.755 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.576 1.562 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.309 4.145 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.001 4.900 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.146 4.589 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.335 3.414 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.405 3.631 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.701 2.062 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.119 2.402 -8.735 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.846 0.129 -4.752 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.078 -1.147 -4.097 1.00 0.00 C ATOM 1417 C VAL A 93 -2.965 -2.019 -4.988 1.00 0.00 C ATOM 1418 O VAL A 93 -2.746 -3.224 -5.099 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.669 -0.920 -2.704 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.592 -2.196 -1.862 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.975 0.246 -1.997 1.00 0.00 C ATOM 0 H VAL A 93 -1.868 0.937 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.138 -1.680 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.721 -0.660 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.018 -2.008 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.152 -2.991 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.550 -2.499 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.414 0.386 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.912 0.028 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.104 1.156 -2.583 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.948 -1.375 -5.600 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.869 -2.077 -6.478 1.00 0.00 C ATOM 1433 C PHE A 94 -4.127 -2.720 -7.651 1.00 0.00 C ATOM 1434 O PHE A 94 -4.297 -3.907 -7.923 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.851 -1.036 -7.020 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.264 -1.576 -7.252 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.585 -2.154 -8.440 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.200 -1.477 -6.270 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.896 -2.655 -8.656 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.511 -1.977 -6.485 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.831 -2.556 -7.674 1.00 0.00 C ATOM 0 H PHE A 94 -4.127 -0.375 -5.505 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.377 -2.869 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.902 -0.201 -6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.465 -0.642 -7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.842 -2.232 -9.220 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.946 -1.018 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.150 -3.114 -9.600 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.254 -1.898 -5.705 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.828 -2.937 -7.838 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.318 -1.907 -8.315 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.549 -2.381 -9.453 1.00 0.00 C ATOM 1453 C GLN A 95 -1.397 -3.270 -8.981 1.00 0.00 C ATOM 1454 O GLN A 95 -1.178 -4.350 -9.527 1.00 0.00 O ATOM 1455 CB GLN A 95 -2.031 -1.211 -10.291 1.00 0.00 C ATOM 1456 CG GLN A 95 -0.647 -0.765 -9.814 1.00 0.00 C ATOM 1457 CD GLN A 95 -0.104 0.367 -10.688 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.544 1.503 -10.621 1.00 0.00 O ATOM 1459 NE2 GLN A 95 0.874 -0.005 -11.509 1.00 0.00 N ATOM 0 H GLN A 95 -3.179 -0.923 -8.086 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.205 -2.976 -10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.981 -1.504 -11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.728 -0.376 -10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.705 -0.433 -8.777 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.040 -1.611 -9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.195 -0.973 -11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.303 0.678 -12.133 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.691 -2.783 -7.971 1.00 0.00 N ATOM 1469 CA LEU A 96 0.434 -3.519 -7.420 1.00 0.00 C ATOM 1470 C LEU A 96 -0.062 -4.856 -6.865 1.00 0.00 C ATOM 1471 O LEU A 96 -0.001 -5.877 -7.548 1.00 0.00 O ATOM 1472 CB LEU A 96 1.182 -2.666 -6.393 1.00 0.00 C ATOM 1473 CG LEU A 96 2.207 -1.682 -6.959 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.162 -2.381 -7.928 1.00 0.00 C ATOM 1475 CD2 LEU A 96 1.514 -0.479 -7.605 1.00 0.00 C ATOM 0 H LEU A 96 -0.877 -1.887 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 96 1.161 -3.746 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.449 -2.104 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.693 -3.333 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 96 2.808 -1.302 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.880 -1.659 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.693 -3.176 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.594 -2.807 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.265 0.205 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.873 -0.821 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.910 0.037 -6.859 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.541 -4.807 -5.630 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.046 -6.002 -4.975 1.00 0.00 C ATOM 1489 C ALA A 97 -2.087 -6.670 -5.876 1.00 0.00 C ATOM 1490 O ALA A 97 -1.799 -7.676 -6.523 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.614 -5.631 -3.604 1.00 0.00 C ATOM 0 H ALA A 97 -0.590 -3.959 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.242 -6.719 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.993 -6.527 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.828 -5.187 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.426 -4.915 -3.728 1.00 0.00 H new ATOM 1497 N GLY A 98 -3.275 -6.085 -5.888 1.00 0.00 N ATOM 1498 CA GLY A 98 -4.360 -6.611 -6.699 1.00 0.00 C ATOM 1499 C GLY A 98 -5.715 -6.342 -6.041 1.00 0.00 C ATOM 1500 O GLY A 98 -6.182 -7.136 -5.226 1.00 0.00 O ATOM 0 H GLY A 98 -3.511 -5.252 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.335 -6.154 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.227 -7.684 -6.840 1.00 0.00 H new ATOM 1504 N GLY A 99 -6.309 -5.220 -6.421 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.601 -4.837 -5.879 1.00 0.00 C ATOM 1506 C GLY A 99 -8.740 -5.325 -6.777 1.00 0.00 C ATOM 1507 O GLY A 99 -8.636 -5.270 -8.002 1.00 0.00 O ATOM 0 H GLY A 99 -5.919 -4.564 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.718 -5.254 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.651 -3.753 -5.780 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.800 -5.791 -6.134 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.956 -6.289 -6.860 1.00 0.00 C ATOM 1513 C ILE A 100 -12.024 -5.194 -6.921 1.00 0.00 C ATOM 1514 O ILE A 100 -11.970 -4.227 -6.164 1.00 0.00 O ATOM 1515 CB ILE A 100 -11.453 -7.598 -6.244 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -12.102 -7.351 -4.881 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -10.325 -8.629 -6.163 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -13.170 -8.406 -4.583 1.00 0.00 C ATOM 0 H ILE A 100 -9.883 -5.834 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.685 -6.530 -7.888 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.222 -8.012 -6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.340 -7.370 -4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.551 -6.358 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.705 -9.550 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.948 -8.835 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.517 -8.237 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.616 -8.207 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.943 -8.368 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.713 -9.395 -4.578 1.00 0.00 H new