USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=8 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 77 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5!) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.25! C(o=-3.3!,f=-4.5!) USER MOD Single : A 17 GLN : amide:sc= -2.37 K(o=-2.4,f=-4.3!) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= 0.595 (180deg=-0.027) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.26) USER MOD Single : A 48 ASN : amide:sc= -0.891 K(o=-0.89,f=-2.5!) 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 30:sc= -1.21 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 81 SER OG : rot 180:sc= -0.256 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 80:sc= -6.91! USER MOD Single : A 95 GLN : amide:sc= -0.0726 X(o=-0.073,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.403 18.746 10.598 1.00 0.00 N ATOM 145 CA LEU A 13 -3.785 18.121 9.441 1.00 0.00 C ATOM 146 C LEU A 13 -4.833 17.297 8.690 1.00 0.00 C ATOM 147 O LEU A 13 -5.730 16.721 9.303 1.00 0.00 O ATOM 148 CB LEU A 13 -2.554 17.314 9.861 1.00 0.00 C ATOM 149 CG LEU A 13 -1.283 18.122 10.131 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.419 17.445 11.197 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.506 18.369 8.836 1.00 0.00 C ATOM 0 HA LEU A 13 -3.420 18.880 8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.802 16.753 10.762 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.338 16.585 9.080 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.574 19.096 10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.478 18.040 11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.984 17.363 12.125 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.134 16.450 10.856 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.393 18.945 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.225 17.414 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.131 18.924 8.137 1.00 0.00 H new ATOM 163 N PRO A 14 -4.681 17.268 7.339 1.00 0.00 N ATOM 164 CA PRO A 14 -5.605 16.525 6.498 1.00 0.00 C ATOM 165 C PRO A 14 -5.344 15.020 6.595 1.00 0.00 C ATOM 166 O PRO A 14 -4.248 14.598 6.961 1.00 0.00 O ATOM 167 CB PRO A 14 -5.392 17.075 5.098 1.00 0.00 C ATOM 168 CG PRO A 14 -4.041 17.772 5.124 1.00 0.00 C ATOM 169 CD PRO A 14 -3.631 17.939 6.579 1.00 0.00 C ATOM 0 HA PRO A 14 -6.644 16.646 6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.404 16.275 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.186 17.772 4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.298 17.186 4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.102 18.742 4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.656 17.491 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.556 18.992 6.851 1.00 0.00 H new ATOM 177 N ASN A 15 -6.370 14.251 6.260 1.00 0.00 N ATOM 178 CA ASN A 15 -6.266 12.803 6.305 1.00 0.00 C ATOM 179 C ASN A 15 -7.354 12.190 5.421 1.00 0.00 C ATOM 180 O ASN A 15 -8.478 12.688 5.379 1.00 0.00 O ATOM 181 CB ASN A 15 -6.464 12.280 7.729 1.00 0.00 C ATOM 182 CG ASN A 15 -6.030 13.323 8.761 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.855 13.527 9.019 1.00 0.00 O ATOM 184 ND2 ASN A 15 -7.040 13.968 9.336 1.00 0.00 N ATOM 0 H ASN A 15 -7.277 14.604 5.956 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.272 12.526 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.512 12.024 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.889 11.365 7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.854 14.683 10.040 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.001 13.748 9.074 1.00 0.00 H new ATOM 191 N ARG A 16 -6.981 11.119 4.735 1.00 0.00 N ATOM 192 CA ARG A 16 -7.912 10.434 3.855 1.00 0.00 C ATOM 193 C ARG A 16 -7.573 8.943 3.781 1.00 0.00 C ATOM 194 O ARG A 16 -6.406 8.574 3.659 1.00 0.00 O ATOM 195 CB ARG A 16 -7.876 11.028 2.445 1.00 0.00 C ATOM 196 CG ARG A 16 -9.107 10.606 1.641 1.00 0.00 C ATOM 197 CD ARG A 16 -10.364 11.312 2.152 1.00 0.00 C ATOM 198 NE ARG A 16 -10.633 12.520 1.341 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.417 13.532 1.736 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.016 13.487 2.934 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.604 14.588 0.933 1.00 0.00 N ATOM 0 H ARG A 16 -6.048 10.709 4.771 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.913 10.563 4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.832 12.115 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.972 10.701 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.956 10.842 0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.238 9.526 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.216 10.634 2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.236 11.588 3.199 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.194 12.586 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.875 12.682 3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.613 14.257 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.149 14.622 0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.201 15.358 1.234 1.00 0.00 H new ATOM 215 N GLN A 17 -8.614 8.128 3.859 1.00 0.00 N ATOM 216 CA GLN A 17 -8.441 6.686 3.803 1.00 0.00 C ATOM 217 C GLN A 17 -9.484 6.062 2.873 1.00 0.00 C ATOM 218 O GLN A 17 -10.682 6.290 3.036 1.00 0.00 O ATOM 219 CB GLN A 17 -8.515 6.070 5.201 1.00 0.00 C ATOM 220 CG GLN A 17 -9.957 6.042 5.713 1.00 0.00 C ATOM 221 CD GLN A 17 -10.521 7.459 5.840 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.814 8.414 6.117 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.830 7.541 5.623 1.00 0.00 N ATOM 0 H GLN A 17 -9.580 8.438 3.961 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.450 6.474 3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.114 5.057 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.893 6.643 5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.577 5.459 5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.993 5.544 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.363 6.702 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.302 8.443 5.684 1.00 0.00 H new ATOM 232 N LEU A 18 -8.991 5.288 1.918 1.00 0.00 N ATOM 233 CA LEU A 18 -9.866 4.629 0.962 1.00 0.00 C ATOM 234 C LEU A 18 -9.984 3.147 1.323 1.00 0.00 C ATOM 235 O LEU A 18 -9.367 2.687 2.282 1.00 0.00 O ATOM 236 CB LEU A 18 -9.381 4.878 -0.467 1.00 0.00 C ATOM 237 CG LEU A 18 -8.728 6.237 -0.727 1.00 0.00 C ATOM 238 CD1 LEU A 18 -9.647 7.380 -0.293 1.00 0.00 C ATOM 239 CD2 LEU A 18 -7.354 6.321 -0.058 1.00 0.00 C ATOM 0 H LEU A 18 -7.997 5.102 1.785 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.870 5.050 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.666 4.098 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.230 4.770 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.571 6.341 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.158 8.334 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.581 7.329 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.858 7.293 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.911 7.297 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.464 6.186 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.707 5.540 -0.457 1.00 0.00 H new ATOM 251 N LYS A 19 -10.781 2.441 0.534 1.00 0.00 N ATOM 252 CA LYS A 19 -10.987 1.020 0.758 1.00 0.00 C ATOM 253 C LYS A 19 -10.558 0.244 -0.489 1.00 0.00 C ATOM 254 O LYS A 19 -11.003 0.545 -1.596 1.00 0.00 O ATOM 255 CB LYS A 19 -12.432 0.749 1.184 1.00 0.00 C ATOM 256 CG LYS A 19 -12.833 -0.694 0.874 1.00 0.00 C ATOM 257 CD LYS A 19 -13.806 -0.752 -0.305 1.00 0.00 C ATOM 258 CE LYS A 19 -13.115 -1.291 -1.560 1.00 0.00 C ATOM 259 NZ LYS A 19 -13.320 -0.371 -2.700 1.00 0.00 N ATOM 0 H LYS A 19 -11.291 2.826 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.365 0.670 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.542 0.939 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.102 1.436 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.944 -1.281 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.294 -1.144 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.654 -1.388 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.203 0.244 -0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.048 -1.413 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.510 -2.277 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.273 -0.906 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.252 0.082 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.579 0.358 -2.695 1.00 0.00 H new ATOM 273 N VAL A 20 -9.699 -0.740 -0.268 1.00 0.00 N ATOM 274 CA VAL A 20 -9.204 -1.561 -1.360 1.00 0.00 C ATOM 275 C VAL A 20 -9.456 -3.035 -1.038 1.00 0.00 C ATOM 276 O VAL A 20 -8.669 -3.663 -0.331 1.00 0.00 O ATOM 277 CB VAL A 20 -7.729 -1.250 -1.623 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.181 -2.113 -2.761 1.00 0.00 C ATOM 279 CG2 VAL A 20 -7.526 0.238 -1.916 1.00 0.00 C ATOM 0 H VAL A 20 -9.333 -0.987 0.651 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.739 -1.333 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.169 -1.493 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.131 -1.872 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.274 -3.166 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.747 -1.917 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.469 0.432 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.104 0.518 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.860 0.826 -1.061 1.00 0.00 H new ATOM 289 N LYS A 21 -10.557 -3.545 -1.572 1.00 0.00 N ATOM 290 CA LYS A 21 -10.922 -4.933 -1.350 1.00 0.00 C ATOM 291 C LYS A 21 -9.942 -5.840 -2.097 1.00 0.00 C ATOM 292 O LYS A 21 -10.100 -6.080 -3.293 1.00 0.00 O ATOM 293 CB LYS A 21 -12.386 -5.169 -1.727 1.00 0.00 C ATOM 294 CG LYS A 21 -13.278 -5.180 -0.483 1.00 0.00 C ATOM 295 CD LYS A 21 -14.719 -5.545 -0.845 1.00 0.00 C ATOM 296 CE LYS A 21 -15.358 -6.403 0.249 1.00 0.00 C ATOM 297 NZ LYS A 21 -16.759 -5.984 0.483 1.00 0.00 N ATOM 0 H LYS A 21 -11.207 -3.021 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.845 -5.182 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.719 -4.389 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.481 -6.118 -2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.889 -5.895 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.256 -4.200 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.303 -4.636 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.734 -6.085 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.330 -7.453 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.786 -6.312 1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.179 -6.576 1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.778 -4.988 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.305 -6.094 -0.395 1.00 0.00 H new ATOM 311 N VAL A 22 -8.950 -6.319 -1.360 1.00 0.00 N ATOM 312 CA VAL A 22 -7.944 -7.194 -1.937 1.00 0.00 C ATOM 313 C VAL A 22 -8.458 -8.635 -1.923 1.00 0.00 C ATOM 314 O VAL A 22 -9.582 -8.892 -1.495 1.00 0.00 O ATOM 315 CB VAL A 22 -6.616 -7.026 -1.195 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.186 -5.558 -1.168 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.704 -7.599 0.221 1.00 0.00 C ATOM 0 H VAL A 22 -8.822 -6.117 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.756 -6.926 -2.977 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.855 -7.588 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.240 -5.466 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.064 -5.196 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.947 -4.965 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.748 -7.467 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.483 -7.078 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.944 -8.661 0.169 1.00 0.00 H new ATOM 643 N GLN A 44 8.219 0.660 -1.531 1.00 0.00 N ATOM 644 CA GLN A 44 8.599 1.663 -0.550 1.00 0.00 C ATOM 645 C GLN A 44 9.268 2.853 -1.240 1.00 0.00 C ATOM 646 O GLN A 44 8.873 3.999 -1.031 1.00 0.00 O ATOM 647 CB GLN A 44 9.513 1.064 0.520 1.00 0.00 C ATOM 648 CG GLN A 44 8.712 0.652 1.757 1.00 0.00 C ATOM 649 CD GLN A 44 8.113 -0.745 1.583 1.00 0.00 C ATOM 650 OE1 GLN A 44 8.157 -1.339 0.518 1.00 0.00 O ATOM 651 NE2 GLN A 44 7.553 -1.234 2.685 1.00 0.00 N ATOM 0 HA GLN A 44 7.696 2.017 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.034 0.197 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.275 1.791 0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.358 0.668 2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.915 1.374 1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.551 -0.683 3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.125 -2.160 2.672 1.00 0.00 H new ATOM 660 N GLU A 45 10.270 2.540 -2.049 1.00 0.00 N ATOM 661 CA GLU A 45 10.999 3.570 -2.771 1.00 0.00 C ATOM 662 C GLU A 45 10.033 4.426 -3.593 1.00 0.00 C ATOM 663 O GLU A 45 9.997 5.646 -3.441 1.00 0.00 O ATOM 664 CB GLU A 45 12.080 2.954 -3.662 1.00 0.00 C ATOM 665 CG GLU A 45 13.369 2.716 -2.874 1.00 0.00 C ATOM 666 CD GLU A 45 14.359 1.876 -3.683 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.742 2.346 -4.776 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.711 0.782 -3.190 1.00 0.00 O ATOM 0 H GLU A 45 10.594 1.588 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 45 11.496 4.213 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.722 2.011 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.282 3.615 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.824 3.673 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.138 2.210 -1.937 1.00 0.00 H new ATOM 675 N ALA A 46 9.274 3.752 -4.445 1.00 0.00 N ATOM 676 CA ALA A 46 8.311 4.436 -5.291 1.00 0.00 C ATOM 677 C ALA A 46 7.534 5.453 -4.453 1.00 0.00 C ATOM 678 O ALA A 46 7.740 6.659 -4.584 1.00 0.00 O ATOM 679 CB ALA A 46 7.394 3.407 -5.956 1.00 0.00 C ATOM 0 H ALA A 46 9.307 2.740 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 46 8.819 4.983 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.671 3.920 -6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.991 2.726 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.866 2.841 -5.189 1.00 0.00 H new ATOM 685 N ILE A 47 6.656 4.930 -3.609 1.00 0.00 N ATOM 686 CA ILE A 47 5.848 5.777 -2.749 1.00 0.00 C ATOM 687 C ILE A 47 6.756 6.760 -2.009 1.00 0.00 C ATOM 688 O ILE A 47 6.496 7.963 -1.995 1.00 0.00 O ATOM 689 CB ILE A 47 4.978 4.926 -1.822 1.00 0.00 C ATOM 690 CG1 ILE A 47 4.029 4.034 -2.626 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.227 5.802 -0.817 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.642 2.787 -1.829 1.00 0.00 C ATOM 0 H ILE A 47 6.487 3.930 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 47 5.153 6.370 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 47 5.632 4.268 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.132 4.595 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.506 3.739 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.616 5.172 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.943 6.357 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.586 6.502 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.967 2.170 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.539 2.216 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.144 3.085 -0.906 1.00 0.00 H new ATOM 704 N ASN A 48 7.804 6.213 -1.411 1.00 0.00 N ATOM 705 CA ASN A 48 8.753 7.027 -0.670 1.00 0.00 C ATOM 706 C ASN A 48 9.135 8.248 -1.509 1.00 0.00 C ATOM 707 O ASN A 48 9.146 9.371 -1.008 1.00 0.00 O ATOM 708 CB ASN A 48 10.031 6.243 -0.366 1.00 0.00 C ATOM 709 CG ASN A 48 11.173 7.185 0.022 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.995 8.157 0.737 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.353 6.843 -0.489 1.00 0.00 N ATOM 0 H ASN A 48 8.017 5.216 -1.424 1.00 0.00 H new ATOM 0 HA ASN A 48 8.282 7.326 0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.845 5.538 0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.319 5.657 -1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.178 7.408 -0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.432 6.016 -1.081 1.00 0.00 H new ATOM 718 N ASP A 49 9.440 7.986 -2.772 1.00 0.00 N ATOM 719 CA ASP A 49 9.822 9.050 -3.685 1.00 0.00 C ATOM 720 C ASP A 49 8.690 10.076 -3.767 1.00 0.00 C ATOM 721 O ASP A 49 8.942 11.276 -3.866 1.00 0.00 O ATOM 722 CB ASP A 49 10.069 8.505 -5.093 1.00 0.00 C ATOM 723 CG ASP A 49 11.025 9.337 -5.950 1.00 0.00 C ATOM 724 OD1 ASP A 49 12.154 9.575 -5.472 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.604 9.716 -7.065 1.00 0.00 O ATOM 0 H ASP A 49 9.430 7.053 -3.184 1.00 0.00 H new ATOM 0 HA ASP A 49 10.738 9.505 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.466 7.493 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.113 8.431 -5.610 1.00 0.00 H new ATOM 730 N LEU A 50 7.468 9.567 -3.723 1.00 0.00 N ATOM 731 CA LEU A 50 6.297 10.425 -3.792 1.00 0.00 C ATOM 732 C LEU A 50 6.092 11.110 -2.439 1.00 0.00 C ATOM 733 O LEU A 50 5.636 12.251 -2.380 1.00 0.00 O ATOM 734 CB LEU A 50 5.079 9.631 -4.269 1.00 0.00 C ATOM 735 CG LEU A 50 4.758 9.730 -5.762 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.874 8.564 -6.211 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.135 11.085 -6.101 1.00 0.00 C ATOM 0 H LEU A 50 7.263 8.571 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 50 6.445 11.213 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.234 8.581 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.208 9.967 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 50 5.693 9.658 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.661 8.658 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.392 7.623 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.939 8.580 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.917 11.128 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.211 11.212 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.832 11.881 -5.840 1.00 0.00 H new ATOM 749 N VAL A 51 6.439 10.385 -1.386 1.00 0.00 N ATOM 750 CA VAL A 51 6.299 10.909 -0.038 1.00 0.00 C ATOM 751 C VAL A 51 7.322 12.025 0.180 1.00 0.00 C ATOM 752 O VAL A 51 7.121 12.902 1.019 1.00 0.00 O ATOM 753 CB VAL A 51 6.428 9.774 0.981 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.485 10.322 2.408 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.288 8.766 0.825 1.00 0.00 C ATOM 0 H VAL A 51 6.817 9.439 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 51 5.309 11.343 0.101 1.00 0.00 H new ATOM 0 HB VAL A 51 7.365 9.253 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.577 9.495 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.346 10.982 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.573 10.880 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.403 7.970 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.334 9.269 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.314 8.340 -0.178 1.00 0.00 H new ATOM 765 N LYS A 52 8.398 11.958 -0.591 1.00 0.00 N ATOM 766 CA LYS A 52 9.452 12.952 -0.494 1.00 0.00 C ATOM 767 C LYS A 52 9.176 14.082 -1.487 1.00 0.00 C ATOM 768 O LYS A 52 9.455 15.246 -1.203 1.00 0.00 O ATOM 769 CB LYS A 52 10.824 12.298 -0.673 1.00 0.00 C ATOM 770 CG LYS A 52 11.169 11.412 0.525 1.00 0.00 C ATOM 771 CD LYS A 52 12.560 11.744 1.071 1.00 0.00 C ATOM 772 CE LYS A 52 12.635 11.482 2.576 1.00 0.00 C ATOM 773 NZ LYS A 52 13.914 11.984 3.126 1.00 0.00 N ATOM 0 H LYS A 52 8.562 11.230 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 52 9.464 13.397 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.830 11.701 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.586 13.069 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.425 11.549 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.131 10.364 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.310 11.143 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.794 12.789 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.800 11.970 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.543 10.413 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.949 11.798 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.707 11.499 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.986 13.008 2.957 1.00 0.00 H new ATOM 787 N LYS A 53 8.629 13.700 -2.632 1.00 0.00 N ATOM 788 CA LYS A 53 8.311 14.666 -3.670 1.00 0.00 C ATOM 789 C LYS A 53 7.210 15.602 -3.168 1.00 0.00 C ATOM 790 O LYS A 53 6.997 16.674 -3.733 1.00 0.00 O ATOM 791 CB LYS A 53 7.964 13.953 -4.978 1.00 0.00 C ATOM 792 CG LYS A 53 9.231 13.569 -5.746 1.00 0.00 C ATOM 793 CD LYS A 53 9.162 14.054 -7.195 1.00 0.00 C ATOM 794 CE LYS A 53 7.896 13.544 -7.885 1.00 0.00 C ATOM 795 NZ LYS A 53 7.414 14.529 -8.879 1.00 0.00 N ATOM 0 H LYS A 53 8.398 12.734 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 53 9.180 15.285 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.379 13.059 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.342 14.601 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.103 14.001 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.358 12.487 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.179 15.144 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.041 13.709 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.101 12.593 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.120 13.358 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.554 14.167 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.199 15.428 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.150 14.686 -9.597 1.00 0.00 H new ATOM 809 N TYR A 54 6.539 15.163 -2.113 1.00 0.00 N ATOM 810 CA TYR A 54 5.465 15.948 -1.530 1.00 0.00 C ATOM 811 C TYR A 54 5.940 16.678 -0.271 1.00 0.00 C ATOM 812 O TYR A 54 7.040 16.427 0.218 1.00 0.00 O ATOM 813 CB TYR A 54 4.374 14.948 -1.143 1.00 0.00 C ATOM 814 CG TYR A 54 3.480 14.520 -2.309 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.030 14.304 -3.556 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.125 14.351 -2.114 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.189 13.901 -4.654 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.284 13.948 -3.211 1.00 0.00 C ATOM 819 CZ TYR A 54 1.858 13.743 -4.427 1.00 0.00 C ATOM 820 OH TYR A 54 1.064 13.363 -5.464 1.00 0.00 O ATOM 0 H TYR A 54 6.719 14.274 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 54 5.112 16.700 -2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.843 14.062 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.752 15.388 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.091 14.437 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.695 14.521 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.606 13.728 -5.635 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.222 13.812 -3.072 1.00 0.00 H new ATOM 0 HH TYR A 54 1.582 12.814 -6.089 1.00 0.00 H new ATOM 830 N THR A 55 5.088 17.567 0.216 1.00 0.00 N ATOM 831 CA THR A 55 5.407 18.335 1.408 1.00 0.00 C ATOM 832 C THR A 55 4.868 17.632 2.655 1.00 0.00 C ATOM 833 O THR A 55 3.659 17.450 2.796 1.00 0.00 O ATOM 834 CB THR A 55 4.854 19.749 1.221 1.00 0.00 C ATOM 835 OG1 THR A 55 5.890 20.437 0.525 1.00 0.00 O ATOM 836 CG2 THR A 55 4.726 20.508 2.543 1.00 0.00 C ATOM 0 H THR A 55 4.177 17.773 -0.193 1.00 0.00 H new ATOM 0 HA THR A 55 6.485 18.409 1.555 1.00 0.00 H new ATOM 0 HB THR A 55 3.879 19.696 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.614 21.363 0.360 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.329 21.505 2.353 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.051 19.969 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.707 20.591 3.011 1.00 0.00 H new ATOM 844 N LEU A 56 5.790 17.256 3.529 1.00 0.00 N ATOM 845 CA LEU A 56 5.423 16.577 4.760 1.00 0.00 C ATOM 846 C LEU A 56 4.308 15.570 4.468 1.00 0.00 C ATOM 847 O LEU A 56 3.193 15.711 4.968 1.00 0.00 O ATOM 848 CB LEU A 56 5.065 17.594 5.846 1.00 0.00 C ATOM 849 CG LEU A 56 6.198 18.515 6.301 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.535 17.772 6.323 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.258 19.778 5.439 1.00 0.00 C ATOM 0 H LEU A 56 6.791 17.409 3.409 1.00 0.00 H new ATOM 0 HA LEU A 56 6.269 16.012 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.245 18.212 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.693 17.052 6.715 1.00 0.00 H new ATOM 0 HG LEU A 56 5.990 18.832 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.323 18.450 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.472 16.930 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.764 17.405 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.072 20.415 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.430 19.501 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.315 20.319 5.520 1.00 0.00 H new ATOM 863 N ALA A 57 4.649 14.576 3.662 1.00 0.00 N ATOM 864 CA ALA A 57 3.691 13.545 3.298 1.00 0.00 C ATOM 865 C ALA A 57 4.029 12.254 4.046 1.00 0.00 C ATOM 866 O ALA A 57 5.177 12.039 4.434 1.00 0.00 O ATOM 867 CB ALA A 57 3.695 13.357 1.780 1.00 0.00 C ATOM 0 H ALA A 57 5.575 14.462 3.250 1.00 0.00 H new ATOM 0 HA ALA A 57 2.682 13.839 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.977 12.584 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.420 14.294 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.691 13.058 1.453 1.00 0.00 H new ATOM 873 N ARG A 58 3.009 11.428 4.227 1.00 0.00 N ATOM 874 CA ARG A 58 3.184 10.164 4.921 1.00 0.00 C ATOM 875 C ARG A 58 2.047 9.202 4.567 1.00 0.00 C ATOM 876 O ARG A 58 0.874 9.538 4.724 1.00 0.00 O ATOM 877 CB ARG A 58 3.216 10.368 6.437 1.00 0.00 C ATOM 878 CG ARG A 58 4.576 9.973 7.015 1.00 0.00 C ATOM 879 CD ARG A 58 5.346 11.204 7.498 1.00 0.00 C ATOM 880 NE ARG A 58 6.358 10.806 8.502 1.00 0.00 N ATOM 881 CZ ARG A 58 6.901 11.646 9.394 1.00 0.00 C ATOM 882 NH1 ARG A 58 6.534 12.935 9.411 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.813 11.197 10.267 1.00 0.00 N ATOM 0 H ARG A 58 2.058 11.610 3.905 1.00 0.00 H new ATOM 0 HA ARG A 58 4.136 9.740 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.007 11.412 6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.432 9.773 6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.435 9.280 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.159 9.449 6.257 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.832 11.693 6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.656 11.928 7.932 1.00 0.00 H new ATOM 0 HE ARG A 58 6.661 9.832 8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.841 13.277 8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.947 13.574 10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.094 10.216 10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.227 11.836 10.946 1.00 0.00 H new ATOM 897 N ALA A 59 2.435 8.026 4.096 1.00 0.00 N ATOM 898 CA ALA A 59 1.464 7.014 3.719 1.00 0.00 C ATOM 899 C ALA A 59 1.610 5.803 4.643 1.00 0.00 C ATOM 900 O ALA A 59 2.717 5.467 5.061 1.00 0.00 O ATOM 901 CB ALA A 59 1.653 6.649 2.245 1.00 0.00 C ATOM 0 H ALA A 59 3.409 7.752 3.967 1.00 0.00 H new ATOM 0 HA ALA A 59 0.449 7.395 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.924 5.889 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.510 7.537 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.660 6.260 2.093 1.00 0.00 H new ATOM 907 N PHE A 60 0.477 5.182 4.934 1.00 0.00 N ATOM 908 CA PHE A 60 0.464 4.016 5.801 1.00 0.00 C ATOM 909 C PHE A 60 -0.631 3.033 5.383 1.00 0.00 C ATOM 910 O PHE A 60 -1.467 3.352 4.539 1.00 0.00 O ATOM 911 CB PHE A 60 0.172 4.515 7.218 1.00 0.00 C ATOM 912 CG PHE A 60 1.278 5.390 7.810 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.538 4.895 7.945 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.002 6.663 8.201 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.565 5.707 8.495 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.029 7.475 8.751 1.00 0.00 C ATOM 917 CZ PHE A 60 3.289 6.980 8.886 1.00 0.00 C ATOM 0 H PHE A 60 -0.439 5.464 4.585 1.00 0.00 H new ATOM 0 HA PHE A 60 1.421 3.498 5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.759 5.082 7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.015 3.655 7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.757 3.884 7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.002 7.056 8.093 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.565 5.314 8.603 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.810 8.486 9.062 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.070 7.598 9.304 1.00 0.00 H new ATOM 927 N VAL A 61 -0.592 1.858 5.993 1.00 0.00 N ATOM 928 CA VAL A 61 -1.571 0.826 5.695 1.00 0.00 C ATOM 929 C VAL A 61 -1.859 0.020 6.963 1.00 0.00 C ATOM 930 O VAL A 61 -0.996 -0.108 7.831 1.00 0.00 O ATOM 931 CB VAL A 61 -1.080 -0.041 4.534 1.00 0.00 C ATOM 932 CG1 VAL A 61 -1.184 0.712 3.206 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.350 -0.527 4.779 1.00 0.00 C ATOM 0 H VAL A 61 0.103 1.597 6.693 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.512 1.273 5.374 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.725 -0.917 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.829 0.074 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.223 0.985 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.574 1.614 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.675 -1.141 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.014 0.332 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.382 -1.118 5.694 1.00 0.00 H new ATOM 1059 N VAL A 70 -8.169 -3.756 3.036 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.898 -3.122 3.344 1.00 0.00 C ATOM 1061 C VAL A 70 -7.112 -1.617 3.515 1.00 0.00 C ATOM 1062 O VAL A 70 -7.138 -0.875 2.534 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.869 -3.461 2.264 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.629 -2.574 2.390 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.491 -4.943 2.313 1.00 0.00 C ATOM 0 HA VAL A 70 -6.499 -3.502 4.284 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.324 -3.263 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.914 -2.836 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.917 -1.528 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.171 -2.725 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.758 -5.158 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.064 -5.178 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.381 -5.551 2.151 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.260 -1.211 4.767 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.471 0.193 5.079 1.00 0.00 C ATOM 1077 C ARG A 71 -6.264 1.022 4.637 1.00 0.00 C ATOM 1078 O ARG A 71 -5.217 0.993 5.282 1.00 0.00 O ATOM 1079 CB ARG A 71 -7.700 0.396 6.578 1.00 0.00 C ATOM 1080 CG ARG A 71 -9.180 0.638 6.879 1.00 0.00 C ATOM 1081 CD ARG A 71 -9.806 -0.577 7.565 1.00 0.00 C ATOM 1082 NE ARG A 71 -11.168 -0.244 8.041 1.00 0.00 N ATOM 1083 CZ ARG A 71 -11.425 0.427 9.172 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -10.416 0.841 9.950 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -12.692 0.684 9.524 1.00 0.00 N ATOM 0 H ARG A 71 -7.238 -1.829 5.578 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.359 0.523 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.353 -0.481 7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.111 1.244 6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.286 1.515 7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.713 0.852 5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.850 -1.415 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.185 -0.891 8.404 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.960 -0.544 7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.452 0.645 9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.612 1.352 10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.460 0.369 8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.889 1.195 10.385 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.449 1.741 3.540 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.388 2.577 3.004 1.00 0.00 C ATOM 1101 C VAL A 72 -5.417 3.939 3.700 1.00 0.00 C ATOM 1102 O VAL A 72 -6.473 4.560 3.812 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.520 2.679 1.483 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.780 3.908 0.951 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -5.023 1.402 0.803 1.00 0.00 C ATOM 0 H VAL A 72 -7.318 1.762 3.007 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.413 2.132 3.203 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.577 2.795 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.889 3.958 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.200 4.808 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.723 3.835 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.128 1.501 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.974 1.241 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.612 0.553 1.149 1.00 0.00 H new ATOM 1115 N TYR A 73 -4.245 4.364 4.149 1.00 0.00 N ATOM 1116 CA TYR A 73 -4.123 5.641 4.831 1.00 0.00 C ATOM 1117 C TYR A 73 -2.977 6.468 4.246 1.00 0.00 C ATOM 1118 O TYR A 73 -1.975 5.914 3.794 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.805 5.311 6.291 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.500 6.227 7.301 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.874 6.197 7.428 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.753 7.082 8.085 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -6.528 7.059 8.379 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -4.406 7.943 9.036 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.762 7.889 9.136 1.00 0.00 C ATOM 1126 OH TYR A 73 -6.379 8.703 10.034 1.00 0.00 O ATOM 0 H TYR A 73 -3.371 3.846 4.054 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.039 6.222 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.095 4.280 6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.727 5.374 6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.459 5.527 6.815 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.678 7.105 7.985 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.602 7.046 8.488 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.833 8.616 9.656 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.707 9.239 10.505 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.161 7.779 4.273 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.154 8.688 3.751 1.00 0.00 C ATOM 1138 C ALA A 74 -2.546 10.127 4.091 1.00 0.00 C ATOM 1139 O ALA A 74 -3.721 10.487 4.023 1.00 0.00 O ATOM 1140 CB ALA A 74 -1.999 8.466 2.245 1.00 0.00 C ATOM 0 H ALA A 74 -3.993 8.235 4.648 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.185 8.493 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.244 9.147 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.691 7.437 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.951 8.655 1.749 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.541 10.911 4.450 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.766 12.303 4.801 1.00 0.00 C ATOM 1148 C GLU A 75 -0.681 13.188 4.184 1.00 0.00 C ATOM 1149 O GLU A 75 0.197 12.698 3.476 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.822 12.483 6.319 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.479 12.136 6.963 1.00 0.00 C ATOM 1152 CD GLU A 75 0.098 13.340 7.712 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.371 13.582 8.845 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.995 13.991 7.133 1.00 0.00 O ATOM 0 H GLU A 75 -0.568 10.609 4.506 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.731 12.608 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.088 13.513 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.604 11.848 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.607 11.302 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.223 11.810 6.195 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.777 14.477 4.476 1.00 0.00 N ATOM 1162 CA ALA A 76 0.186 15.435 3.959 1.00 0.00 C ATOM 1163 C ALA A 76 -0.083 16.807 4.580 1.00 0.00 C ATOM 1164 O ALA A 76 -1.085 16.996 5.267 1.00 0.00 O ATOM 1165 CB ALA A 76 0.109 15.462 2.431 1.00 0.00 C ATOM 0 H ALA A 76 -1.507 14.880 5.064 1.00 0.00 H new ATOM 0 HA ALA A 76 1.201 15.143 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.831 16.180 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.336 14.471 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.895 15.754 2.122 1.00 0.00 H new ATOM 1171 N ASN A 77 0.831 17.730 4.316 1.00 0.00 N ATOM 1172 CA ASN A 77 0.705 19.079 4.840 1.00 0.00 C ATOM 1173 C ASN A 77 -0.513 19.756 4.209 1.00 0.00 C ATOM 1174 O ASN A 77 -1.098 20.664 4.797 1.00 0.00 O ATOM 1175 CB ASN A 77 1.939 19.918 4.503 1.00 0.00 C ATOM 1176 CG ASN A 77 1.721 21.387 4.872 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.836 22.056 4.364 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.574 21.849 5.781 1.00 0.00 N ATOM 0 H ASN A 77 1.662 17.570 3.746 1.00 0.00 H new ATOM 0 HA ASN A 77 0.599 19.011 5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.805 19.529 5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.160 19.836 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.511 22.818 6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.292 21.235 6.166 1.00 0.00 H new ATOM 1185 N SER A 78 -0.861 19.287 3.019 1.00 0.00 N ATOM 1186 CA SER A 78 -1.999 19.835 2.302 1.00 0.00 C ATOM 1187 C SER A 78 -2.988 18.720 1.958 1.00 0.00 C ATOM 1188 O SER A 78 -2.591 17.572 1.762 1.00 0.00 O ATOM 1189 CB SER A 78 -1.552 20.559 1.030 1.00 0.00 C ATOM 1190 OG SER A 78 -0.410 21.381 1.257 1.00 0.00 O ATOM 0 H SER A 78 -0.374 18.533 2.534 1.00 0.00 H new ATOM 0 HA SER A 78 -2.492 20.562 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.323 19.826 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.371 21.172 0.655 1.00 0.00 H new ATOM 0 HG SER A 78 -0.155 21.824 0.421 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.257 19.096 1.896 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.306 18.141 1.580 1.00 0.00 C ATOM 1198 C GLN A 79 -5.160 17.652 0.138 1.00 0.00 C ATOM 1199 O GLN A 79 -5.336 16.466 -0.140 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.690 18.749 1.815 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.734 17.658 2.059 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.120 18.265 2.285 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.412 19.379 1.880 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.955 17.474 2.952 1.00 0.00 N ATOM 0 H GLN A 79 -4.583 20.049 2.059 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.204 17.284 2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.655 19.422 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.980 19.348 0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.764 16.981 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.448 17.063 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.646 16.553 3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.904 17.788 3.153 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.841 18.589 -0.742 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.669 18.268 -2.149 1.00 0.00 C ATOM 1215 C GLU A 80 -3.687 17.106 -2.313 1.00 0.00 C ATOM 1216 O GLU A 80 -3.907 16.212 -3.128 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.206 19.493 -2.939 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.111 19.741 -4.147 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.355 20.475 -5.257 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -3.442 19.845 -5.833 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -4.708 21.648 -5.505 1.00 0.00 O ATOM 0 H GLU A 80 -4.697 19.571 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.634 17.961 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.209 20.370 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.179 19.347 -3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.487 18.790 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.977 20.328 -3.842 1.00 0.00 H new ATOM 1228 N SER A 81 -2.624 17.157 -1.524 1.00 0.00 N ATOM 1229 CA SER A 81 -1.607 16.120 -1.571 1.00 0.00 C ATOM 1230 C SER A 81 -2.070 14.896 -0.778 1.00 0.00 C ATOM 1231 O SER A 81 -2.021 13.773 -1.278 1.00 0.00 O ATOM 1232 CB SER A 81 -0.273 16.632 -1.025 1.00 0.00 C ATOM 1233 OG SER A 81 -0.241 18.054 -0.939 1.00 0.00 O ATOM 0 H SER A 81 -2.445 17.900 -0.849 1.00 0.00 H new ATOM 0 HA SER A 81 -1.457 15.835 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.098 16.205 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.537 16.290 -1.669 1.00 0.00 H new ATOM 0 HG SER A 81 0.626 18.341 -0.584 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.510 15.155 0.445 1.00 0.00 N ATOM 1240 CA ALA A 82 -2.981 14.088 1.312 1.00 0.00 C ATOM 1241 C ALA A 82 -3.936 13.185 0.528 1.00 0.00 C ATOM 1242 O ALA A 82 -3.669 11.997 0.353 1.00 0.00 O ATOM 1243 CB ALA A 82 -3.638 14.693 2.554 1.00 0.00 C ATOM 0 H ALA A 82 -2.550 16.088 0.856 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.148 13.472 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.992 13.893 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.910 15.302 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.481 15.315 2.253 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.030 13.783 0.079 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.026 13.047 -0.682 1.00 0.00 C ATOM 1251 C ASP A 83 -5.349 12.362 -1.871 1.00 0.00 C ATOM 1252 O ASP A 83 -5.540 11.168 -2.095 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.105 13.984 -1.227 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.542 13.573 -0.902 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -9.032 12.641 -1.576 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.119 14.200 0.012 1.00 0.00 O ATOM 0 H ASP A 83 -5.249 14.768 0.227 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.486 12.316 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.931 14.984 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.997 14.047 -2.310 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.573 13.148 -2.603 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.867 12.632 -3.763 1.00 0.00 C ATOM 1263 C ARG A 84 -3.088 11.369 -3.393 1.00 0.00 C ATOM 1264 O ARG A 84 -3.371 10.288 -3.907 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.898 13.674 -4.326 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.082 13.094 -5.484 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.066 14.052 -6.677 1.00 0.00 C ATOM 1268 NE ARG A 84 -1.633 13.334 -7.897 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.458 12.637 -8.690 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -3.763 12.559 -8.398 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.976 12.017 -9.777 1.00 0.00 N ATOM 0 H ARG A 84 -4.418 14.138 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.610 12.394 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.455 14.546 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.227 14.015 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.061 12.902 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.505 12.136 -5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.059 14.475 -6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.392 14.885 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.646 13.372 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.130 13.031 -7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.390 12.028 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.982 12.076 -9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.603 11.486 -10.381 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.123 11.546 -2.503 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.301 10.434 -2.058 1.00 0.00 C ATOM 1287 C LEU A 85 -2.205 9.262 -1.669 1.00 0.00 C ATOM 1288 O LEU A 85 -2.121 8.186 -2.259 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.356 10.879 -0.940 1.00 0.00 C ATOM 1290 CG LEU A 85 0.992 10.159 -0.875 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.879 10.547 -2.059 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.684 10.411 0.466 1.00 0.00 C ATOM 0 H LEU A 85 -1.892 12.444 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.658 10.088 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.170 11.947 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.865 10.743 0.014 1.00 0.00 H new ATOM 0 HG LEU A 85 0.810 9.087 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.831 10.021 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.382 10.275 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.057 11.622 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.640 9.888 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.853 11.480 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.053 10.045 1.276 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.048 9.510 -0.677 1.00 0.00 N ATOM 1305 CA ALA A 86 -3.966 8.489 -0.202 1.00 0.00 C ATOM 1306 C ALA A 86 -4.550 7.737 -1.400 1.00 0.00 C ATOM 1307 O ALA A 86 -4.249 6.562 -1.606 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.048 9.138 0.663 1.00 0.00 C ATOM 0 H ALA A 86 -3.114 10.403 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.444 7.762 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.737 8.372 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.584 9.634 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.596 9.871 0.071 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.373 8.446 -2.158 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.002 7.860 -3.330 1.00 0.00 C ATOM 1316 C TYR A 87 -4.990 7.060 -4.153 1.00 0.00 C ATOM 1317 O TYR A 87 -5.143 5.852 -4.329 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.508 9.035 -4.169 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.579 8.744 -5.669 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.500 7.838 -6.154 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.721 9.388 -6.538 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.567 7.564 -7.566 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.788 9.114 -7.950 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.707 8.216 -8.394 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.770 7.957 -9.728 1.00 0.00 O ATOM 0 H TYR A 87 -5.619 9.420 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.802 7.180 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.500 9.319 -3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.855 9.892 -4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.171 7.334 -5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.000 10.097 -6.159 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.283 6.857 -7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.123 9.611 -8.641 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.098 8.494 -10.198 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.978 7.766 -4.636 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.941 7.137 -5.436 1.00 0.00 C ATOM 1337 C GLU A 88 -2.466 5.845 -4.769 1.00 0.00 C ATOM 1338 O GLU A 88 -2.624 4.760 -5.326 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.772 8.096 -5.670 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.149 9.186 -6.674 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.958 9.550 -7.563 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.224 8.610 -7.940 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.807 10.758 -7.844 1.00 0.00 O ATOM 0 H GLU A 88 -3.854 8.768 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.362 6.886 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.477 8.553 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.909 7.540 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.978 8.844 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.494 10.072 -6.141 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.893 6.004 -3.584 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.394 4.864 -2.835 1.00 0.00 C ATOM 1352 C VAL A 89 -2.364 3.691 -2.993 1.00 0.00 C ATOM 1353 O VAL A 89 -1.970 2.610 -3.427 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.165 5.257 -1.374 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.990 4.018 -0.494 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.034 6.199 -1.241 1.00 0.00 C ATOM 0 H VAL A 89 -1.764 6.906 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.429 4.543 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.050 5.791 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.829 4.325 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.886 3.400 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.130 3.444 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.175 6.463 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.930 5.702 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.148 7.103 -1.822 1.00 0.00 H new ATOM 1366 N SER A 90 -3.613 3.945 -2.633 1.00 0.00 N ATOM 1367 CA SER A 90 -4.642 2.924 -2.729 1.00 0.00 C ATOM 1368 C SER A 90 -4.453 2.109 -4.010 1.00 0.00 C ATOM 1369 O SER A 90 -4.142 0.920 -3.954 1.00 0.00 O ATOM 1370 CB SER A 90 -6.040 3.546 -2.698 1.00 0.00 C ATOM 1371 OG SER A 90 -6.155 4.550 -1.694 1.00 0.00 O ATOM 0 H SER A 90 -3.936 4.844 -2.274 1.00 0.00 H new ATOM 0 HA SER A 90 -4.548 2.263 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.265 3.980 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.780 2.766 -2.517 1.00 0.00 H new ATOM 0 HG SER A 90 -5.754 5.384 -2.018 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.647 2.781 -5.136 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.501 2.134 -6.428 1.00 0.00 C ATOM 1379 C LEU A 91 -3.192 1.342 -6.452 1.00 0.00 C ATOM 1380 O LEU A 91 -3.185 0.159 -6.789 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.619 3.160 -7.557 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.026 3.697 -7.831 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.552 4.491 -6.634 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.058 4.518 -9.122 1.00 0.00 C ATOM 0 H LEU A 91 -4.904 3.767 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.309 1.421 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.969 4.003 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.239 2.708 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.694 2.848 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.553 4.861 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.589 3.845 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.889 5.333 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.069 4.888 -9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.373 5.362 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.754 3.890 -9.960 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.117 2.026 -6.092 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.805 1.401 -6.068 1.00 0.00 C ATOM 1398 C LEU A 92 -0.915 0.022 -5.414 1.00 0.00 C ATOM 1399 O LEU A 92 -0.237 -0.919 -5.825 1.00 0.00 O ATOM 1400 CB LEU A 92 0.215 2.321 -5.394 1.00 0.00 C ATOM 1401 CG LEU A 92 0.221 3.776 -5.868 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.602 4.408 -5.678 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -0.264 3.883 -7.315 1.00 0.00 C ATOM 0 H LEU A 92 -2.127 3.007 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.438 1.246 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.030 2.310 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.210 1.904 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.479 4.340 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.580 5.442 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.871 4.383 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.340 3.850 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.250 4.927 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.392 3.302 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.280 3.496 -7.388 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.772 -0.055 -4.408 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.979 -1.303 -3.694 1.00 0.00 C ATOM 1417 C VAL A 93 -2.765 -2.270 -4.582 1.00 0.00 C ATOM 1418 O VAL A 93 -2.388 -3.431 -4.727 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.664 -1.032 -2.353 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.449 -2.195 -1.382 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.179 0.286 -1.746 1.00 0.00 C ATOM 0 H VAL A 93 -2.332 0.727 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.023 -1.775 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.735 -0.942 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.946 -1.977 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.866 -3.107 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.382 -2.331 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.681 0.455 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.102 0.238 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.407 1.106 -2.427 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.844 -1.754 -5.153 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.687 -2.556 -6.023 1.00 0.00 C ATOM 1433 C PHE A 94 -3.910 -3.033 -7.251 1.00 0.00 C ATOM 1434 O PHE A 94 -4.032 -4.187 -7.659 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.840 -1.661 -6.479 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.118 -2.424 -6.833 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.114 -3.321 -7.854 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.259 -2.204 -6.125 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.300 -4.029 -8.183 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.445 -2.913 -6.454 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.440 -3.810 -7.476 1.00 0.00 C ATOM 0 H PHE A 94 -4.154 -0.790 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.043 -3.436 -5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.064 -0.944 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.519 -1.087 -7.348 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.208 -3.495 -8.416 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.263 -1.491 -5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.296 -4.741 -8.995 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.351 -2.740 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.342 -4.349 -7.726 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.128 -2.120 -7.808 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.331 -2.432 -8.982 1.00 0.00 C ATOM 1453 C GLN A 95 -1.186 -3.377 -8.611 1.00 0.00 C ATOM 1454 O GLN A 95 -0.938 -4.361 -9.306 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.798 -1.157 -9.638 1.00 0.00 C ATOM 1456 CG GLN A 95 -0.443 -0.761 -9.048 1.00 0.00 C ATOM 1457 CD GLN A 95 0.098 0.504 -9.717 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.595 1.494 -9.885 1.00 0.00 O ATOM 1459 NE2 GLN A 95 1.372 0.417 -10.089 1.00 0.00 N ATOM 0 H GLN A 95 -3.029 -1.164 -7.468 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.971 -2.935 -9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.700 -1.311 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.512 -0.345 -9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.544 -0.595 -7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.267 -1.578 -9.178 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.896 -0.442 -9.919 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.825 1.209 -10.545 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.519 -3.045 -7.515 1.00 0.00 N ATOM 1469 CA LEU A 96 0.594 -3.852 -7.043 1.00 0.00 C ATOM 1470 C LEU A 96 0.063 -5.189 -6.522 1.00 0.00 C ATOM 1471 O LEU A 96 0.159 -6.207 -7.205 1.00 0.00 O ATOM 1472 CB LEU A 96 1.420 -3.076 -6.016 1.00 0.00 C ATOM 1473 CG LEU A 96 2.784 -3.672 -5.663 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.920 -2.809 -6.216 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.913 -3.891 -4.155 1.00 0.00 C ATOM 0 H LEU A 96 -0.728 -2.228 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 96 1.277 -4.077 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.574 -2.065 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.836 -2.989 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 96 2.862 -4.650 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.878 -3.255 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.836 -2.748 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.856 -1.807 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.892 -4.315 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.804 -2.937 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.135 -4.576 -3.819 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.485 -5.143 -5.317 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.030 -6.338 -4.696 1.00 0.00 C ATOM 1489 C ALA A 97 -1.808 -7.140 -5.741 1.00 0.00 C ATOM 1490 O ALA A 97 -1.349 -8.188 -6.192 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.899 -5.942 -3.501 1.00 0.00 C ATOM 0 H ALA A 97 -0.563 -4.296 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.229 -6.974 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.308 -6.839 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.294 -5.400 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.716 -5.305 -3.840 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.972 -6.616 -6.096 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.819 -7.271 -7.080 1.00 0.00 C ATOM 1499 C GLY A 98 -5.283 -7.258 -6.638 1.00 0.00 C ATOM 1500 O GLY A 98 -5.906 -8.312 -6.512 1.00 0.00 O ATOM 0 H GLY A 98 -3.349 -5.746 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.721 -6.768 -8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.488 -8.300 -7.223 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.791 -6.055 -6.415 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.171 -5.892 -5.990 1.00 0.00 C ATOM 1506 C GLY A 99 -8.107 -6.776 -6.816 1.00 0.00 C ATOM 1507 O GLY A 99 -7.718 -7.290 -7.864 1.00 0.00 O ATOM 0 H GLY A 99 -5.272 -5.184 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.263 -6.146 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.466 -4.848 -6.093 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.323 -6.927 -6.312 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.318 -7.741 -6.990 1.00 0.00 C ATOM 1513 C ILE A 100 -11.681 -7.051 -6.903 1.00 0.00 C ATOM 1514 O ILE A 100 -12.021 -6.470 -5.873 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.314 -9.166 -6.434 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.705 -9.179 -4.955 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -8.964 -9.845 -6.676 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.302 -10.530 -4.558 1.00 0.00 C ATOM 0 H ILE A 100 -9.642 -6.500 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.075 -7.836 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.066 -9.744 -6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.829 -8.970 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.427 -8.386 -4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.988 -10.857 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.765 -9.887 -7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.177 -9.275 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.571 -10.513 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.192 -10.724 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.569 -11.317 -4.732 1.00 0.00 H new