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 77 ASN : amide:sc= -0.426 K(o=-0.43,f=-1.1) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 44 GLN : amide:sc= -0.186 K(o=-2.4,f=-5.2!) USER MOD Set 2.2: A 48 ASN : amide:sc= -2.2! C(o=-2.4!,f=-3.4!) USER MOD Single : A 15 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.97) USER MOD Single : A 17 GLN : amide:sc=-0.00797 X(o=-0.008,f=-0.29) 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 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 66:sc= -0.443 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=-1.1) USER MOD Single : A 81 SER OG : rot 180:sc= -1.11 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -76:sc= 0.336 USER MOD Single : A 95 GLN : amide:sc= -0.255 K(o=-0.26,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -3.730 18.928 10.410 1.00 0.00 N ATOM 145 CA LEU A 13 -3.239 18.293 9.199 1.00 0.00 C ATOM 146 C LEU A 13 -4.369 17.487 8.557 1.00 0.00 C ATOM 147 O LEU A 13 -5.186 16.890 9.256 1.00 0.00 O ATOM 148 CB LEU A 13 -1.987 17.465 9.498 1.00 0.00 C ATOM 149 CG LEU A 13 -0.735 18.257 9.883 1.00 0.00 C ATOM 150 CD1 LEU A 13 0.208 17.410 10.738 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.037 18.816 8.641 1.00 0.00 C ATOM 0 HA LEU A 13 -2.930 19.045 8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.218 16.773 10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.756 16.862 8.620 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.042 19.108 10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.089 17.996 10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.305 17.102 11.649 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.513 16.526 10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.849 19.374 8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.256 17.994 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.719 19.478 8.107 1.00 0.00 H new ATOM 163 N PRO A 14 -4.381 17.497 7.197 1.00 0.00 N ATOM 164 CA PRO A 14 -5.398 16.775 6.452 1.00 0.00 C ATOM 165 C PRO A 14 -5.128 15.269 6.473 1.00 0.00 C ATOM 166 O PRO A 14 -3.996 14.841 6.695 1.00 0.00 O ATOM 167 CB PRO A 14 -5.356 17.367 5.052 1.00 0.00 C ATOM 168 CG PRO A 14 -4.011 18.067 4.937 1.00 0.00 C ATOM 169 CD PRO A 14 -3.430 18.194 6.335 1.00 0.00 C ATOM 0 HA PRO A 14 -6.392 16.883 6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.458 16.589 4.295 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.176 18.069 4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.339 17.498 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.130 19.051 4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.439 17.744 6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.324 19.239 6.626 1.00 0.00 H new ATOM 177 N ASN A 15 -6.186 14.507 6.239 1.00 0.00 N ATOM 178 CA ASN A 15 -6.077 13.058 6.229 1.00 0.00 C ATOM 179 C ASN A 15 -7.166 12.475 5.326 1.00 0.00 C ATOM 180 O ASN A 15 -8.257 13.035 5.223 1.00 0.00 O ATOM 181 CB ASN A 15 -6.268 12.481 7.633 1.00 0.00 C ATOM 182 CG ASN A 15 -5.813 13.477 8.702 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.703 13.424 9.205 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.731 14.386 9.019 1.00 0.00 N ATOM 0 H ASN A 15 -7.123 14.866 6.055 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.083 12.797 5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.318 12.231 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.702 11.555 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.525 15.096 9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.641 14.373 8.559 1.00 0.00 H new ATOM 191 N ARG A 16 -6.833 11.359 4.695 1.00 0.00 N ATOM 192 CA ARG A 16 -7.769 10.694 3.805 1.00 0.00 C ATOM 193 C ARG A 16 -7.609 9.176 3.903 1.00 0.00 C ATOM 194 O ARG A 16 -6.533 8.643 3.636 1.00 0.00 O ATOM 195 CB ARG A 16 -7.553 11.130 2.354 1.00 0.00 C ATOM 196 CG ARG A 16 -8.523 10.410 1.415 1.00 0.00 C ATOM 197 CD ARG A 16 -9.967 10.834 1.687 1.00 0.00 C ATOM 198 NE ARG A 16 -10.434 11.751 0.624 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.631 12.353 0.623 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.490 12.139 1.629 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.970 13.169 -0.385 1.00 0.00 N ATOM 0 H ARG A 16 -5.927 10.898 4.783 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.776 10.977 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.692 12.208 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.527 10.917 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.264 10.632 0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.427 9.332 1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.611 9.955 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.034 11.325 2.658 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.805 11.937 -0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.233 11.518 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.401 12.598 1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.317 13.332 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.881 13.627 -0.386 1.00 0.00 H new ATOM 215 N GLN A 17 -8.695 8.522 4.288 1.00 0.00 N ATOM 216 CA GLN A 17 -8.688 7.076 4.425 1.00 0.00 C ATOM 217 C GLN A 17 -9.511 6.433 3.307 1.00 0.00 C ATOM 218 O GLN A 17 -10.545 6.965 2.907 1.00 0.00 O ATOM 219 CB GLN A 17 -9.209 6.653 5.801 1.00 0.00 C ATOM 220 CG GLN A 17 -8.607 5.312 6.226 1.00 0.00 C ATOM 221 CD GLN A 17 -9.432 4.671 7.344 1.00 0.00 C ATOM 222 OE1 GLN A 17 -10.646 4.576 7.278 1.00 0.00 O ATOM 223 NE2 GLN A 17 -8.707 4.238 8.371 1.00 0.00 N ATOM 0 H GLN A 17 -9.586 8.967 4.509 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.659 6.728 4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.962 7.417 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.296 6.576 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.565 4.640 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.582 5.461 6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.693 4.349 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.165 3.795 9.168 1.00 0.00 H new ATOM 232 N LEU A 18 -9.020 5.297 2.833 1.00 0.00 N ATOM 233 CA LEU A 18 -9.696 4.576 1.768 1.00 0.00 C ATOM 234 C LEU A 18 -9.733 3.085 2.111 1.00 0.00 C ATOM 235 O LEU A 18 -9.121 2.654 3.086 1.00 0.00 O ATOM 236 CB LEU A 18 -9.045 4.880 0.417 1.00 0.00 C ATOM 237 CG LEU A 18 -9.122 6.335 -0.052 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.795 6.782 -0.669 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.297 6.541 -1.009 1.00 0.00 C ATOM 0 H LEU A 18 -8.162 4.858 3.167 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.730 4.909 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.995 4.591 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.513 4.250 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.302 6.966 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.876 7.819 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.001 6.695 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.561 6.150 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.329 7.583 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.173 5.899 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.228 6.288 -0.502 1.00 0.00 H new ATOM 251 N LYS A 19 -10.458 2.340 1.290 1.00 0.00 N ATOM 252 CA LYS A 19 -10.583 0.907 1.494 1.00 0.00 C ATOM 253 C LYS A 19 -10.362 0.185 0.163 1.00 0.00 C ATOM 254 O LYS A 19 -10.906 0.588 -0.864 1.00 0.00 O ATOM 255 CB LYS A 19 -11.921 0.575 2.159 1.00 0.00 C ATOM 256 CG LYS A 19 -12.332 -0.871 1.872 1.00 0.00 C ATOM 257 CD LYS A 19 -13.442 -0.927 0.822 1.00 0.00 C ATOM 258 CE LYS A 19 -14.774 -1.338 1.453 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.708 -1.833 0.417 1.00 0.00 N ATOM 0 H LYS A 19 -10.965 2.702 0.482 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.815 0.552 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.844 0.728 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.691 1.255 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.468 -1.436 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.673 -1.345 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.547 0.048 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.172 -1.636 0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.605 -2.114 2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.215 -0.487 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.607 -2.108 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.883 -1.082 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.292 -2.658 -0.060 1.00 0.00 H new ATOM 273 N VAL A 20 -9.563 -0.870 0.224 1.00 0.00 N ATOM 274 CA VAL A 20 -9.263 -1.651 -0.964 1.00 0.00 C ATOM 275 C VAL A 20 -9.535 -3.129 -0.678 1.00 0.00 C ATOM 276 O VAL A 20 -8.806 -3.763 0.082 1.00 0.00 O ATOM 277 CB VAL A 20 -7.826 -1.385 -1.417 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.530 -2.087 -2.743 1.00 0.00 C ATOM 279 CG2 VAL A 20 -7.553 0.117 -1.519 1.00 0.00 C ATOM 0 H VAL A 20 -9.114 -1.202 1.078 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.910 -1.354 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.155 -1.797 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.502 -1.881 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.665 -3.162 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.212 -1.719 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.525 0.279 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.236 0.563 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.704 0.581 -0.544 1.00 0.00 H new ATOM 289 N LYS A 21 -10.588 -3.636 -1.304 1.00 0.00 N ATOM 290 CA LYS A 21 -10.966 -5.028 -1.127 1.00 0.00 C ATOM 291 C LYS A 21 -9.995 -5.918 -1.905 1.00 0.00 C ATOM 292 O LYS A 21 -10.255 -6.268 -3.055 1.00 0.00 O ATOM 293 CB LYS A 21 -12.433 -5.237 -1.507 1.00 0.00 C ATOM 294 CG LYS A 21 -13.259 -5.666 -0.293 1.00 0.00 C ATOM 295 CD LYS A 21 -14.658 -6.119 -0.713 1.00 0.00 C ATOM 296 CE LYS A 21 -15.645 -6.003 0.450 1.00 0.00 C ATOM 297 NZ LYS A 21 -16.960 -5.524 -0.030 1.00 0.00 N ATOM 0 H LYS A 21 -11.191 -3.107 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.889 -5.314 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.840 -4.314 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.506 -5.995 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.751 -6.478 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.337 -4.836 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.004 -5.513 -1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.621 -7.151 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.760 -6.972 0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.253 -5.316 1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.617 -5.451 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.849 -4.589 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.340 -6.194 -0.729 1.00 0.00 H new ATOM 311 N VAL A 22 -8.898 -6.260 -1.246 1.00 0.00 N ATOM 312 CA VAL A 22 -7.887 -7.103 -1.862 1.00 0.00 C ATOM 313 C VAL A 22 -8.458 -8.506 -2.071 1.00 0.00 C ATOM 314 O VAL A 22 -9.645 -8.738 -1.843 1.00 0.00 O ATOM 315 CB VAL A 22 -6.613 -7.096 -1.015 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.170 -5.665 -0.703 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.804 -7.903 0.270 1.00 0.00 C ATOM 0 H VAL A 22 -8.687 -5.969 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.611 -6.715 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.823 -7.573 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.262 -5.688 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.973 -5.134 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.958 -5.152 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.883 -7.882 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.615 -7.469 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.050 -8.935 0.019 1.00 0.00 H new ATOM 643 N GLN A 44 7.759 0.280 -0.794 1.00 0.00 N ATOM 644 CA GLN A 44 7.854 1.441 0.074 1.00 0.00 C ATOM 645 C GLN A 44 8.780 2.491 -0.543 1.00 0.00 C ATOM 646 O GLN A 44 8.570 3.690 -0.366 1.00 0.00 O ATOM 647 CB GLN A 44 8.330 1.043 1.472 1.00 0.00 C ATOM 648 CG GLN A 44 9.624 0.230 1.400 1.00 0.00 C ATOM 649 CD GLN A 44 10.466 0.428 2.662 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.339 1.408 3.378 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.332 -0.554 2.894 1.00 0.00 N ATOM 0 HA GLN A 44 6.860 1.877 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.491 1.938 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.557 0.459 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.387 -0.827 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.199 0.531 0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.388 -1.347 2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.941 -0.515 3.712 1.00 0.00 H new ATOM 660 N GLU A 45 9.786 2.002 -1.253 1.00 0.00 N ATOM 661 CA GLU A 45 10.746 2.883 -1.896 1.00 0.00 C ATOM 662 C GLU A 45 10.034 3.816 -2.878 1.00 0.00 C ATOM 663 O GLU A 45 10.378 4.992 -2.982 1.00 0.00 O ATOM 664 CB GLU A 45 11.842 2.080 -2.599 1.00 0.00 C ATOM 665 CG GLU A 45 13.126 2.060 -1.768 1.00 0.00 C ATOM 666 CD GLU A 45 14.178 1.150 -2.405 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.246 1.149 -3.654 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.891 0.476 -1.631 1.00 0.00 O ATOM 0 H GLU A 45 9.957 1.007 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 45 11.224 3.491 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.498 1.060 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.045 2.514 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.521 3.072 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.904 1.714 -0.758 1.00 0.00 H new ATOM 675 N ALA A 46 9.055 3.256 -3.573 1.00 0.00 N ATOM 676 CA ALA A 46 8.293 4.023 -4.543 1.00 0.00 C ATOM 677 C ALA A 46 7.500 5.111 -3.816 1.00 0.00 C ATOM 678 O ALA A 46 7.769 6.299 -3.987 1.00 0.00 O ATOM 679 CB ALA A 46 7.391 3.082 -5.344 1.00 0.00 C ATOM 0 H ALA A 46 8.772 2.280 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 46 8.959 4.517 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.819 3.658 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.004 2.346 -5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.706 2.571 -4.667 1.00 0.00 H new ATOM 685 N ILE A 47 6.538 4.667 -3.021 1.00 0.00 N ATOM 686 CA ILE A 47 5.704 5.587 -2.268 1.00 0.00 C ATOM 687 C ILE A 47 6.596 6.564 -1.498 1.00 0.00 C ATOM 688 O ILE A 47 6.307 7.758 -1.437 1.00 0.00 O ATOM 689 CB ILE A 47 4.725 4.819 -1.379 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.650 4.125 -2.219 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.117 5.733 -0.313 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.199 2.819 -1.561 1.00 0.00 C ATOM 0 H ILE A 47 6.318 3.681 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 47 5.087 6.180 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 47 5.279 4.040 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.794 4.789 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.039 3.919 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.425 5.161 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.911 6.140 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.582 6.550 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.435 2.346 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.052 2.148 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.788 3.032 -0.574 1.00 0.00 H new ATOM 704 N ASN A 48 7.663 6.020 -0.931 1.00 0.00 N ATOM 705 CA ASN A 48 8.599 6.828 -0.168 1.00 0.00 C ATOM 706 C ASN A 48 9.042 8.023 -1.015 1.00 0.00 C ATOM 707 O ASN A 48 9.093 9.150 -0.525 1.00 0.00 O ATOM 708 CB ASN A 48 9.846 6.023 0.203 1.00 0.00 C ATOM 709 CG ASN A 48 9.642 5.271 1.520 1.00 0.00 C ATOM 710 OD1 ASN A 48 8.892 5.683 2.390 1.00 0.00 O ATOM 711 ND2 ASN A 48 10.347 4.148 1.616 1.00 0.00 N ATOM 0 H ASN A 48 7.900 5.029 -0.985 1.00 0.00 H new ATOM 0 HA ASN A 48 8.098 7.156 0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.076 5.314 -0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.702 6.692 0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.279 3.573 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.956 3.861 0.850 1.00 0.00 H new ATOM 718 N ASP A 49 9.351 7.735 -2.271 1.00 0.00 N ATOM 719 CA ASP A 49 9.788 8.772 -3.190 1.00 0.00 C ATOM 720 C ASP A 49 8.665 9.796 -3.368 1.00 0.00 C ATOM 721 O ASP A 49 8.920 10.998 -3.433 1.00 0.00 O ATOM 722 CB ASP A 49 10.116 8.187 -4.565 1.00 0.00 C ATOM 723 CG ASP A 49 11.090 9.016 -5.405 1.00 0.00 C ATOM 724 OD1 ASP A 49 12.310 8.846 -5.193 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.592 9.801 -6.240 1.00 0.00 O ATOM 0 H ASP A 49 9.307 6.799 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 49 10.681 9.237 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.535 7.190 -4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.188 8.069 -5.124 1.00 0.00 H new ATOM 730 N LEU A 50 7.446 9.283 -3.442 1.00 0.00 N ATOM 731 CA LEU A 50 6.283 10.137 -3.612 1.00 0.00 C ATOM 732 C LEU A 50 5.993 10.864 -2.297 1.00 0.00 C ATOM 733 O LEU A 50 5.322 11.895 -2.288 1.00 0.00 O ATOM 734 CB LEU A 50 5.096 9.329 -4.141 1.00 0.00 C ATOM 735 CG LEU A 50 4.925 9.308 -5.662 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.205 8.037 -6.115 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.216 10.573 -6.151 1.00 0.00 C ATOM 0 H LEU A 50 7.238 8.286 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 50 6.479 10.901 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.197 8.301 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.184 9.728 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 50 5.915 9.297 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.096 8.047 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.786 7.164 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.219 7.993 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.107 10.533 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.231 10.639 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.805 11.449 -5.878 1.00 0.00 H new ATOM 749 N VAL A 51 6.514 10.298 -1.218 1.00 0.00 N ATOM 750 CA VAL A 51 6.320 10.880 0.100 1.00 0.00 C ATOM 751 C VAL A 51 7.271 12.065 0.274 1.00 0.00 C ATOM 752 O VAL A 51 6.989 12.984 1.042 1.00 0.00 O ATOM 753 CB VAL A 51 6.497 9.807 1.176 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.473 10.426 2.575 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.436 8.714 1.041 1.00 0.00 C ATOM 0 H VAL A 51 7.070 9.443 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 51 5.304 11.261 0.204 1.00 0.00 H new ATOM 0 HB VAL A 51 7.473 9.344 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.601 9.642 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.283 11.150 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.518 10.927 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.585 7.964 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.445 9.154 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.521 8.243 0.062 1.00 0.00 H new ATOM 765 N LYS A 52 8.379 12.006 -0.451 1.00 0.00 N ATOM 766 CA LYS A 52 9.373 13.064 -0.386 1.00 0.00 C ATOM 767 C LYS A 52 9.063 14.116 -1.452 1.00 0.00 C ATOM 768 O LYS A 52 9.300 15.305 -1.243 1.00 0.00 O ATOM 769 CB LYS A 52 10.784 12.480 -0.490 1.00 0.00 C ATOM 770 CG LYS A 52 11.212 11.842 0.833 1.00 0.00 C ATOM 771 CD LYS A 52 12.624 12.286 1.223 1.00 0.00 C ATOM 772 CE LYS A 52 12.724 12.536 2.729 1.00 0.00 C ATOM 773 NZ LYS A 52 13.747 13.565 3.017 1.00 0.00 N ATOM 0 H LYS A 52 8.610 11.242 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 52 9.331 13.567 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.815 11.734 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.488 13.266 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.509 12.119 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.179 10.756 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.344 11.522 0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.886 13.195 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.757 12.858 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.979 11.608 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.802 13.722 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.672 13.243 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.488 14.454 2.544 1.00 0.00 H new ATOM 787 N LYS A 53 8.537 13.641 -2.571 1.00 0.00 N ATOM 788 CA LYS A 53 8.192 14.527 -3.670 1.00 0.00 C ATOM 789 C LYS A 53 7.056 15.454 -3.235 1.00 0.00 C ATOM 790 O LYS A 53 6.767 16.445 -3.904 1.00 0.00 O ATOM 791 CB LYS A 53 7.876 13.718 -4.931 1.00 0.00 C ATOM 792 CG LYS A 53 9.158 13.341 -5.675 1.00 0.00 C ATOM 793 CD LYS A 53 9.112 13.825 -7.126 1.00 0.00 C ATOM 794 CE LYS A 53 7.900 13.247 -7.859 1.00 0.00 C ATOM 795 NZ LYS A 53 7.401 14.204 -8.871 1.00 0.00 N ATOM 0 H LYS A 53 8.341 12.654 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 53 9.040 15.161 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.329 12.815 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.228 14.299 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.019 13.779 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.291 12.259 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.070 14.914 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.027 13.531 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.173 12.308 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.109 13.020 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.578 13.796 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.122 15.090 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.152 14.400 -9.563 1.00 0.00 H new ATOM 809 N TYR A 54 6.442 15.101 -2.115 1.00 0.00 N ATOM 810 CA TYR A 54 5.344 15.890 -1.582 1.00 0.00 C ATOM 811 C TYR A 54 5.770 16.638 -0.317 1.00 0.00 C ATOM 812 O TYR A 54 6.841 16.380 0.230 1.00 0.00 O ATOM 813 CB TYR A 54 4.243 14.890 -1.222 1.00 0.00 C ATOM 814 CG TYR A 54 3.413 14.421 -2.419 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.042 13.913 -3.538 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.036 14.506 -2.380 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.261 13.471 -4.664 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.255 14.065 -3.506 1.00 0.00 C ATOM 819 CZ TYR A 54 1.906 13.569 -4.593 1.00 0.00 C ATOM 820 OH TYR A 54 1.168 13.152 -5.657 1.00 0.00 O ATOM 0 H TYR A 54 6.684 14.279 -1.562 1.00 0.00 H new ATOM 0 HA TYR A 54 5.015 16.631 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.697 14.021 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.578 15.346 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.120 13.847 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.544 14.903 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.740 13.071 -5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.177 14.126 -3.488 1.00 0.00 H new ATOM 0 HH TYR A 54 1.265 12.183 -5.763 1.00 0.00 H new ATOM 830 N THR A 55 4.910 17.550 0.110 1.00 0.00 N ATOM 831 CA THR A 55 5.184 18.338 1.300 1.00 0.00 C ATOM 832 C THR A 55 4.627 17.639 2.542 1.00 0.00 C ATOM 833 O THR A 55 3.419 17.439 2.657 1.00 0.00 O ATOM 834 CB THR A 55 4.608 19.739 1.082 1.00 0.00 C ATOM 835 OG1 THR A 55 5.562 20.379 0.239 1.00 0.00 O ATOM 836 CG2 THR A 55 4.616 20.580 2.360 1.00 0.00 C ATOM 0 H THR A 55 4.023 17.761 -0.347 1.00 0.00 H new ATOM 0 HA THR A 55 6.256 18.434 1.473 1.00 0.00 H new ATOM 0 HB THR A 55 3.588 19.658 0.707 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.266 21.293 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.197 21.564 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.017 20.086 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.640 20.690 2.717 1.00 0.00 H new ATOM 844 N LEU A 56 5.536 17.286 3.439 1.00 0.00 N ATOM 845 CA LEU A 56 5.151 16.613 4.669 1.00 0.00 C ATOM 846 C LEU A 56 4.091 15.555 4.356 1.00 0.00 C ATOM 847 O LEU A 56 2.959 15.646 4.828 1.00 0.00 O ATOM 848 CB LEU A 56 4.710 17.632 5.722 1.00 0.00 C ATOM 849 CG LEU A 56 5.805 18.554 6.263 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.131 17.805 6.406 1.00 0.00 C ATOM 851 CD2 LEU A 56 5.945 19.807 5.395 1.00 0.00 C ATOM 0 H LEU A 56 6.537 17.453 3.339 1.00 0.00 H new ATOM 0 HA LEU A 56 6.005 16.092 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.921 18.250 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.271 17.091 6.560 1.00 0.00 H new ATOM 0 HG LEU A 56 5.512 18.884 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.892 18.483 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.005 16.970 7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.442 17.427 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.730 20.445 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.204 19.517 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.001 20.352 5.388 1.00 0.00 H new ATOM 863 N ALA A 57 4.496 14.575 3.561 1.00 0.00 N ATOM 864 CA ALA A 57 3.596 13.500 3.180 1.00 0.00 C ATOM 865 C ALA A 57 3.951 12.239 3.970 1.00 0.00 C ATOM 866 O ALA A 57 5.043 12.138 4.526 1.00 0.00 O ATOM 867 CB ALA A 57 3.673 13.282 1.667 1.00 0.00 C ATOM 0 H ALA A 57 5.436 14.503 3.170 1.00 0.00 H new ATOM 0 HA ALA A 57 2.565 13.759 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.998 12.476 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.383 14.198 1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.693 13.017 1.389 1.00 0.00 H new ATOM 873 N ARG A 58 3.007 11.309 3.993 1.00 0.00 N ATOM 874 CA ARG A 58 3.206 10.058 4.705 1.00 0.00 C ATOM 875 C ARG A 58 2.131 9.045 4.309 1.00 0.00 C ATOM 876 O ARG A 58 0.939 9.341 4.376 1.00 0.00 O ATOM 877 CB ARG A 58 3.161 10.274 6.219 1.00 0.00 C ATOM 878 CG ARG A 58 4.573 10.342 6.806 1.00 0.00 C ATOM 879 CD ARG A 58 4.580 9.901 8.271 1.00 0.00 C ATOM 880 NE ARG A 58 5.886 10.219 8.889 1.00 0.00 N ATOM 881 CZ ARG A 58 6.962 9.424 8.823 1.00 0.00 C ATOM 882 NH1 ARG A 58 6.895 8.258 8.166 1.00 0.00 N ATOM 883 NH2 ARG A 58 8.107 9.794 9.414 1.00 0.00 N ATOM 0 H ARG A 58 2.102 11.397 3.530 1.00 0.00 H new ATOM 0 HA ARG A 58 4.189 9.674 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.626 11.197 6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.607 9.462 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.242 9.705 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.955 11.360 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.779 10.403 8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.388 8.830 8.338 1.00 0.00 H new ATOM 0 HE ARG A 58 5.973 11.099 9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.024 7.976 7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.715 7.653 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.159 10.681 9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.926 9.188 9.363 1.00 0.00 H new ATOM 897 N ALA A 59 2.591 7.870 3.904 1.00 0.00 N ATOM 898 CA ALA A 59 1.683 6.811 3.497 1.00 0.00 C ATOM 899 C ALA A 59 2.041 5.524 4.243 1.00 0.00 C ATOM 900 O ALA A 59 3.212 5.267 4.520 1.00 0.00 O ATOM 901 CB ALA A 59 1.746 6.641 1.978 1.00 0.00 C ATOM 0 H ALA A 59 3.580 7.628 3.849 1.00 0.00 H new ATOM 0 HA ALA A 59 0.655 7.066 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.065 5.847 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.455 7.574 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.763 6.381 1.683 1.00 0.00 H new ATOM 907 N PHE A 60 1.011 4.748 4.547 1.00 0.00 N ATOM 908 CA PHE A 60 1.202 3.494 5.256 1.00 0.00 C ATOM 909 C PHE A 60 0.157 2.460 4.831 1.00 0.00 C ATOM 910 O PHE A 60 -0.622 2.701 3.910 1.00 0.00 O ATOM 911 CB PHE A 60 1.029 3.792 6.746 1.00 0.00 C ATOM 912 CG PHE A 60 1.724 2.786 7.666 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.021 2.444 7.443 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.044 2.234 8.707 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.666 1.510 8.297 1.00 0.00 C ATOM 916 CE2 PHE A 60 1.689 1.300 9.560 1.00 0.00 C ATOM 917 CZ PHE A 60 2.986 0.958 9.338 1.00 0.00 C ATOM 0 H PHE A 60 0.041 4.963 4.315 1.00 0.00 H new ATOM 0 HA PHE A 60 2.189 3.087 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.418 4.789 6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.035 3.810 6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.561 2.882 6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.014 2.506 8.885 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.696 1.238 8.120 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.149 0.861 10.386 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.476 0.248 9.988 1.00 0.00 H new ATOM 927 N VAL A 61 0.176 1.329 5.521 1.00 0.00 N ATOM 928 CA VAL A 61 -0.760 0.257 5.227 1.00 0.00 C ATOM 929 C VAL A 61 -0.914 -0.633 6.462 1.00 0.00 C ATOM 930 O VAL A 61 0.036 -0.816 7.222 1.00 0.00 O ATOM 931 CB VAL A 61 -0.299 -0.514 3.988 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.610 0.266 2.709 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.191 -0.852 4.075 1.00 0.00 C ATOM 0 H VAL A 61 0.825 1.132 6.283 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.745 0.662 4.994 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.854 -1.452 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.272 -0.304 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.685 0.433 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.095 1.226 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.493 -1.400 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.769 0.069 4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.374 -1.466 4.957 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.372 -3.864 2.864 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.095 -3.253 3.193 1.00 0.00 C ATOM 1061 C VAL A 70 -6.308 -1.769 3.500 1.00 0.00 C ATOM 1062 O VAL A 70 -6.339 -0.942 2.590 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.094 -3.492 2.061 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -3.919 -2.516 2.154 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -4.604 -4.941 2.059 1.00 0.00 C ATOM 0 HA VAL A 70 -5.671 -3.712 4.086 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.607 -3.311 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.222 -2.707 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.289 -1.493 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.408 -2.652 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.894 -5.084 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.116 -5.162 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.452 -5.612 1.922 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.451 -1.478 4.784 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.660 -0.108 5.222 1.00 0.00 C ATOM 1077 C ARG A 71 -5.577 0.805 4.646 1.00 0.00 C ATOM 1078 O ARG A 71 -4.395 0.636 4.942 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.642 -0.009 6.749 1.00 0.00 C ATOM 1080 CG ARG A 71 -7.936 0.616 7.274 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.779 -0.417 8.025 1.00 0.00 C ATOM 1082 NE ARG A 71 -9.305 0.173 9.276 1.00 0.00 N ATOM 1083 CZ ARG A 71 -8.547 0.493 10.333 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -7.224 0.281 10.297 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -9.111 1.023 11.426 1.00 0.00 N ATOM 0 H ARG A 71 -6.426 -2.167 5.536 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.638 0.210 4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.513 -1.002 7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.789 0.590 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.699 1.448 7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.510 1.024 6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.604 -0.752 7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.175 -1.295 8.253 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.308 0.347 9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.795 -0.124 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.646 0.525 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.118 1.183 11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.534 1.267 12.231 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.018 1.753 3.832 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.101 2.693 3.211 1.00 0.00 C ATOM 1101 C VAL A 72 -5.075 3.988 4.026 1.00 0.00 C ATOM 1102 O VAL A 72 -6.106 4.425 4.536 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.490 2.915 1.748 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.854 4.194 1.199 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -5.113 1.705 0.891 1.00 0.00 C ATOM 0 H VAL A 72 -6.999 1.890 3.588 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.088 2.291 3.206 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.573 3.033 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.147 4.328 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.193 5.049 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.769 4.117 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.400 1.889 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.037 1.542 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.633 0.821 1.260 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.887 4.565 4.122 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.713 5.801 4.867 1.00 0.00 C ATOM 1117 C TYR A 73 -2.695 6.715 4.182 1.00 0.00 C ATOM 1118 O TYR A 73 -1.582 6.290 3.875 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.175 5.395 6.240 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.642 6.297 7.383 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -4.952 6.730 7.430 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.754 6.678 8.368 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.391 7.579 8.507 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.193 7.528 9.445 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.491 7.936 9.461 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.906 8.738 10.478 1.00 0.00 O ATOM 0 H TYR A 73 -3.035 4.200 3.696 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.655 6.345 4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.482 4.371 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.085 5.401 6.208 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.647 6.432 6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.729 6.339 8.331 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.413 7.925 8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.508 7.834 10.222 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.157 8.910 11.086 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.112 7.954 3.963 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.250 8.931 3.321 1.00 0.00 C ATOM 1138 C ALA A 74 -2.486 10.305 3.951 1.00 0.00 C ATOM 1139 O ALA A 74 -3.616 10.647 4.298 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.510 8.928 1.813 1.00 0.00 C ATOM 0 H ALA A 74 -4.036 8.303 4.219 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.201 8.676 3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.863 9.661 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.300 7.938 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.553 9.183 1.623 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.402 11.056 4.080 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.477 12.385 4.663 1.00 0.00 C ATOM 1148 C GLU A 75 -0.456 13.312 4.001 1.00 0.00 C ATOM 1149 O GLU A 75 0.549 12.852 3.463 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.269 12.332 6.178 1.00 0.00 C ATOM 1151 CG GLU A 75 0.119 11.789 6.522 1.00 0.00 C ATOM 1152 CD GLU A 75 0.254 11.545 8.027 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.418 10.609 8.512 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.026 12.299 8.657 1.00 0.00 O ATOM 0 H GLU A 75 -0.467 10.769 3.791 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.474 12.785 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.388 13.330 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.033 11.701 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.294 10.859 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.882 12.496 6.195 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.749 14.603 4.063 1.00 0.00 N ATOM 1162 CA ALA A 76 0.131 15.600 3.477 1.00 0.00 C ATOM 1163 C ALA A 76 -0.021 16.919 4.237 1.00 0.00 C ATOM 1164 O ALA A 76 -0.710 16.977 5.255 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.184 15.745 1.987 1.00 0.00 C ATOM 0 H ALA A 76 -1.584 14.982 4.510 1.00 0.00 H new ATOM 0 HA ALA A 76 1.173 15.290 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.476 16.493 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.032 14.788 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.221 16.058 1.863 1.00 0.00 H new ATOM 1171 N ASN A 77 0.632 17.945 3.713 1.00 0.00 N ATOM 1172 CA ASN A 77 0.578 19.260 4.330 1.00 0.00 C ATOM 1173 C ASN A 77 -0.620 20.031 3.772 1.00 0.00 C ATOM 1174 O ASN A 77 -1.015 21.056 4.325 1.00 0.00 O ATOM 1175 CB ASN A 77 1.842 20.065 4.022 1.00 0.00 C ATOM 1176 CG ASN A 77 1.660 21.537 4.398 1.00 0.00 C ATOM 1177 OD1 ASN A 77 1.231 22.359 3.605 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.009 21.823 5.649 1.00 0.00 N ATOM 0 H ASN A 77 1.201 17.893 2.868 1.00 0.00 H new ATOM 0 HA ASN A 77 0.491 19.124 5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.686 19.647 4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.080 19.984 2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.924 22.778 5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.361 21.087 6.261 1.00 0.00 H new ATOM 1185 N SER A 78 -1.166 19.507 2.685 1.00 0.00 N ATOM 1186 CA SER A 78 -2.312 20.133 2.046 1.00 0.00 C ATOM 1187 C SER A 78 -3.396 19.088 1.776 1.00 0.00 C ATOM 1188 O SER A 78 -3.093 17.957 1.401 1.00 0.00 O ATOM 1189 CB SER A 78 -1.906 20.826 0.744 1.00 0.00 C ATOM 1190 OG SER A 78 -0.625 21.441 0.843 1.00 0.00 O ATOM 0 H SER A 78 -0.836 18.656 2.230 1.00 0.00 H new ATOM 0 HA SER A 78 -2.708 20.892 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.897 20.097 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.651 21.579 0.487 1.00 0.00 H new ATOM 0 HG SER A 78 -0.402 21.871 -0.009 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.638 19.505 1.978 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.769 18.619 1.761 1.00 0.00 C ATOM 1198 C GLN A 79 -5.831 18.186 0.295 1.00 0.00 C ATOM 1199 O GLN A 79 -6.400 17.144 -0.026 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.077 19.284 2.192 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.338 20.556 1.383 1.00 0.00 C ATOM 1202 CD GLN A 79 -8.789 21.016 1.537 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.583 20.423 2.249 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.090 22.102 0.832 1.00 0.00 N ATOM 0 H GLN A 79 -4.885 20.444 2.289 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.632 17.730 2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.905 18.587 2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.033 19.527 3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.665 21.347 1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.121 20.373 0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.377 22.550 0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.034 22.488 0.867 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.237 19.010 -0.557 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.218 18.726 -1.982 1.00 0.00 C ATOM 1215 C GLU A 80 -4.256 17.574 -2.281 1.00 0.00 C ATOM 1216 O GLU A 80 -4.463 16.817 -3.228 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.845 19.973 -2.785 1.00 0.00 C ATOM 1218 CG GLU A 80 -6.058 20.525 -3.537 1.00 0.00 C ATOM 1219 CD GLU A 80 -6.082 20.023 -4.982 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -6.176 18.788 -5.153 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -6.005 20.886 -5.883 1.00 0.00 O ATOM 0 H GLU A 80 -4.766 19.874 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.221 18.425 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.450 20.737 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.053 19.730 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.974 20.224 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.032 21.615 -3.527 1.00 0.00 H new ATOM 1228 N SER A 81 -3.225 17.477 -1.454 1.00 0.00 N ATOM 1229 CA SER A 81 -2.230 16.430 -1.618 1.00 0.00 C ATOM 1230 C SER A 81 -2.679 15.163 -0.887 1.00 0.00 C ATOM 1231 O SER A 81 -2.598 14.065 -1.434 1.00 0.00 O ATOM 1232 CB SER A 81 -0.863 16.884 -1.103 1.00 0.00 C ATOM 1233 OG SER A 81 -0.921 18.172 -0.497 1.00 0.00 O ATOM 0 H SER A 81 -3.057 18.106 -0.669 1.00 0.00 H new ATOM 0 HA SER A 81 -2.133 16.213 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.490 16.160 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.153 16.904 -1.930 1.00 0.00 H new ATOM 0 HG SER A 81 -0.029 18.425 -0.180 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.142 15.359 0.339 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.604 14.245 1.151 1.00 0.00 C ATOM 1241 C ALA A 82 -4.393 13.272 0.273 1.00 0.00 C ATOM 1242 O ALA A 82 -4.106 12.077 0.252 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.431 14.776 2.323 1.00 0.00 C ATOM 0 H ALA A 82 -3.207 16.272 0.790 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.759 13.699 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.777 13.941 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.816 15.438 2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.290 15.328 1.942 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.373 13.822 -0.431 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.206 13.017 -1.308 1.00 0.00 C ATOM 1251 C ASP A 83 -5.349 12.459 -2.447 1.00 0.00 C ATOM 1252 O ASP A 83 -5.301 11.248 -2.656 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.325 13.857 -1.927 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.904 14.937 -1.012 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.188 14.599 0.158 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -8.050 16.078 -1.502 1.00 0.00 O ATOM 0 H ASP A 83 -5.608 14.814 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.643 12.214 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.944 14.333 -2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.132 13.191 -2.234 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.695 13.369 -3.153 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.843 12.983 -4.265 1.00 0.00 C ATOM 1263 C ARG A 84 -3.062 11.713 -3.919 1.00 0.00 C ATOM 1264 O ARG A 84 -3.225 10.683 -4.572 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.857 14.099 -4.617 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.171 13.821 -5.956 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.164 15.071 -6.839 1.00 0.00 C ATOM 1268 NE ARG A 84 -1.607 14.747 -8.171 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.288 14.117 -9.138 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -3.556 13.739 -8.926 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.701 13.865 -10.316 1.00 0.00 N ATOM 0 H ARG A 84 -4.738 14.373 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.485 12.796 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.383 15.052 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.107 14.188 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.148 13.489 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.686 13.010 -6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.178 15.458 -6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.571 15.855 -6.369 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.644 15.020 -8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.002 13.931 -8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.075 13.259 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.736 14.153 -10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.219 13.385 -11.052 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.231 11.828 -2.894 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.425 10.702 -2.454 1.00 0.00 C ATOM 1287 C LEU A 85 -2.335 9.499 -2.195 1.00 0.00 C ATOM 1288 O LEU A 85 -2.211 8.469 -2.856 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.568 11.095 -1.249 1.00 0.00 C ATOM 1290 CG LEU A 85 0.751 10.337 -1.088 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.744 10.725 -2.186 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.334 10.542 0.311 1.00 0.00 C ATOM 0 H LEU A 85 -2.098 12.684 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.722 10.409 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.346 12.160 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.160 10.951 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 85 0.549 9.272 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.673 10.172 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.320 10.485 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.947 11.795 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.271 9.992 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.519 11.603 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.628 10.176 1.057 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.229 9.670 -1.233 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.159 8.611 -0.879 1.00 0.00 C ATOM 1306 C ALA A 86 -4.666 7.936 -2.154 1.00 0.00 C ATOM 1307 O ALA A 86 -4.403 6.756 -2.383 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.297 9.192 -0.036 1.00 0.00 C ATOM 0 H ALA A 86 -3.329 10.526 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.662 7.850 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.995 8.398 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.888 9.634 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.820 9.958 -0.609 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.383 8.712 -2.953 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.929 8.204 -4.200 1.00 0.00 C ATOM 1316 C TYR A 87 -4.889 7.373 -4.955 1.00 0.00 C ATOM 1317 O TYR A 87 -5.176 6.259 -5.390 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.286 9.434 -5.036 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.295 9.179 -6.545 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.431 8.689 -7.156 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.166 9.440 -7.295 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.438 8.449 -8.576 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.173 9.200 -8.715 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.309 8.717 -9.285 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.316 8.490 -10.626 1.00 0.00 O ATOM 0 H TYR A 87 -5.599 9.690 -2.761 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.790 7.564 -4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.269 9.794 -4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.574 10.229 -4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.315 8.485 -6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.277 9.824 -6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.320 8.065 -9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.296 9.399 -9.313 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.443 8.727 -11.002 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.702 7.947 -5.087 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.618 7.274 -5.781 1.00 0.00 C ATOM 1337 C GLU A 88 -2.298 5.941 -5.101 1.00 0.00 C ATOM 1338 O GLU A 88 -2.407 4.883 -5.718 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.376 8.165 -5.854 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.546 9.257 -6.912 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.212 9.573 -7.592 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.587 10.299 -6.963 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.023 9.082 -8.725 1.00 0.00 O ATOM 0 H GLU A 88 -3.467 8.871 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.939 7.070 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.194 8.622 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.502 7.558 -6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.272 8.935 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.945 10.159 -6.448 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.909 6.037 -3.837 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.573 4.852 -3.066 1.00 0.00 C ATOM 1352 C VAL A 89 -2.667 3.799 -3.254 1.00 0.00 C ATOM 1353 O VAL A 89 -2.422 2.741 -3.832 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.350 5.228 -1.600 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.082 3.985 -0.750 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.214 6.243 -1.460 1.00 0.00 C ATOM 0 H VAL A 89 -1.819 6.917 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.639 4.417 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.263 5.695 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.927 4.280 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.936 3.311 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.191 3.477 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.077 6.493 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.707 5.815 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.462 7.146 -2.018 1.00 0.00 H new ATOM 1366 N SER A 90 -3.850 4.126 -2.755 1.00 0.00 N ATOM 1367 CA SER A 90 -4.982 3.221 -2.861 1.00 0.00 C ATOM 1368 C SER A 90 -4.985 2.544 -4.233 1.00 0.00 C ATOM 1369 O SER A 90 -5.083 1.322 -4.326 1.00 0.00 O ATOM 1370 CB SER A 90 -6.301 3.960 -2.631 1.00 0.00 C ATOM 1371 OG SER A 90 -6.336 5.213 -3.309 1.00 0.00 O ATOM 0 H SER A 90 -4.049 5.004 -2.276 1.00 0.00 H new ATOM 0 HA SER A 90 -4.884 2.459 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.129 3.339 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.445 4.122 -1.563 1.00 0.00 H new ATOM 0 HG SER A 90 -5.794 5.866 -2.818 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.877 3.369 -5.264 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.866 2.866 -6.627 1.00 0.00 C ATOM 1379 C LEU A 91 -3.648 1.960 -6.822 1.00 0.00 C ATOM 1380 O LEU A 91 -3.773 0.845 -7.325 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.938 4.022 -7.626 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.329 4.350 -8.174 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.559 5.861 -8.216 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.547 3.698 -9.541 1.00 0.00 C ATOM 0 H LEU A 91 -4.796 4.383 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.750 2.257 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.538 4.916 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.283 3.791 -8.466 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.072 3.931 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.555 6.067 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.475 6.270 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.812 6.325 -8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.543 3.947 -9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.799 4.066 -10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.455 2.616 -9.447 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.497 2.474 -6.413 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.258 1.725 -6.537 1.00 0.00 C ATOM 1398 C LEU A 92 -1.480 0.294 -6.044 1.00 0.00 C ATOM 1399 O LEU A 92 -1.293 -0.661 -6.795 1.00 0.00 O ATOM 1400 CB LEU A 92 -0.119 2.453 -5.819 1.00 0.00 C ATOM 1401 CG LEU A 92 0.588 3.548 -6.621 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.562 4.331 -5.739 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.275 2.965 -7.858 1.00 0.00 C ATOM 0 H LEU A 92 -2.397 3.399 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.956 1.659 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.517 2.898 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.624 1.715 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.164 4.253 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.051 5.103 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.016 4.796 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.314 3.653 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.770 3.764 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.014 2.226 -7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.531 2.489 -8.497 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.876 0.191 -4.783 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.126 -1.107 -4.181 1.00 0.00 C ATOM 1417 C VAL A 93 -2.912 -1.978 -5.164 1.00 0.00 C ATOM 1418 O VAL A 93 -2.405 -2.990 -5.644 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.835 -0.933 -2.837 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.875 -2.252 -2.062 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.176 0.171 -2.008 1.00 0.00 C ATOM 0 H VAL A 93 -2.030 0.986 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.186 -1.619 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.863 -0.632 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.384 -2.100 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.411 -3.000 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.857 -2.597 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.700 0.274 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.133 -0.087 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.225 1.114 -2.553 1.00 0.00 H new ATOM 1431 N PHE A 94 -4.137 -1.551 -5.433 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.999 -2.279 -6.349 1.00 0.00 C ATOM 1433 C PHE A 94 -4.212 -2.772 -7.566 1.00 0.00 C ATOM 1434 O PHE A 94 -4.541 -3.807 -8.144 1.00 0.00 O ATOM 1435 CB PHE A 94 -6.080 -1.303 -6.817 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.380 -1.979 -7.257 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.394 -2.776 -8.359 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.523 -1.783 -6.545 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.601 -3.404 -8.766 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.730 -2.410 -6.953 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.743 -3.207 -8.055 1.00 0.00 C ATOM 0 H PHE A 94 -4.553 -0.710 -5.033 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.425 -3.148 -5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.300 -0.606 -6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.689 -0.715 -7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.487 -2.931 -8.925 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.512 -1.151 -5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.612 -4.038 -9.640 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.637 -2.254 -6.388 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.661 -3.684 -8.365 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.189 -2.008 -7.918 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.353 -2.355 -9.055 1.00 0.00 C ATOM 1453 C GLN A 95 -1.239 -3.310 -8.623 1.00 0.00 C ATOM 1454 O GLN A 95 -1.000 -4.326 -9.274 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.775 -1.100 -9.713 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.720 -0.560 -10.788 1.00 0.00 C ATOM 1457 CD GLN A 95 -2.109 -0.712 -12.182 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.903 -0.730 -12.361 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -3.007 -0.819 -13.158 1.00 0.00 N ATOM 0 H GLN A 95 -2.920 -1.150 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.972 -2.862 -9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.604 -0.334 -8.956 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.807 -1.331 -10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.670 -1.093 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.935 0.491 -10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.003 -0.796 -12.939 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.699 -0.924 -14.125 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.586 -2.951 -7.528 1.00 0.00 N ATOM 1469 CA LEU A 96 0.498 -3.764 -7.002 1.00 0.00 C ATOM 1470 C LEU A 96 -0.086 -5.001 -6.316 1.00 0.00 C ATOM 1471 O LEU A 96 -0.231 -6.051 -6.940 1.00 0.00 O ATOM 1472 CB LEU A 96 1.403 -2.927 -6.095 1.00 0.00 C ATOM 1473 CG LEU A 96 2.256 -1.867 -6.794 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.105 -2.490 -7.904 1.00 0.00 C ATOM 1475 CD2 LEU A 96 1.388 -0.719 -7.312 1.00 0.00 C ATOM 0 H LEU A 96 -0.786 -2.108 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 96 1.137 -4.119 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.780 -2.431 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.067 -3.602 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 96 2.944 -1.445 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.702 -1.715 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.766 -3.244 -7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.453 -2.956 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.019 0.021 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.659 -1.106 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.866 -0.252 -6.477 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.404 -4.836 -5.040 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.968 -5.927 -4.263 1.00 0.00 C ATOM 1489 C ALA A 97 -2.021 -6.654 -5.102 1.00 0.00 C ATOM 1490 O ALA A 97 -2.007 -7.880 -5.195 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.542 -5.378 -2.955 1.00 0.00 C ATOM 0 H ALA A 97 -0.282 -3.964 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.197 -6.652 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.965 -6.196 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.749 -4.897 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.322 -4.649 -3.177 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.908 -5.867 -5.692 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.966 -6.421 -6.521 1.00 0.00 C ATOM 1499 C GLY A 98 -5.310 -6.384 -5.790 1.00 0.00 C ATOM 1500 O GLY A 98 -5.555 -7.190 -4.894 1.00 0.00 O ATOM 0 H GLY A 98 -2.916 -4.850 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.038 -5.857 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.722 -7.449 -6.790 1.00 0.00 H new ATOM 1504 N GLY A 99 -6.145 -5.441 -6.201 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.458 -5.290 -5.597 1.00 0.00 C ATOM 1506 C GLY A 99 -8.539 -5.936 -6.465 1.00 0.00 C ATOM 1507 O GLY A 99 -8.374 -6.060 -7.678 1.00 0.00 O ATOM 0 H GLY A 99 -5.938 -4.774 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.461 -5.746 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.680 -4.232 -5.461 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.621 -6.331 -5.811 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.729 -6.962 -6.508 1.00 0.00 C ATOM 1513 C ILE A 100 -11.980 -6.093 -6.361 1.00 0.00 C ATOM 1514 O ILE A 100 -12.187 -5.469 -5.321 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.919 -8.400 -6.021 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.448 -8.428 -4.586 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.627 -9.205 -6.172 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.175 -9.742 -4.295 1.00 0.00 C ATOM 0 H ILE A 100 -9.754 -6.226 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.515 -7.036 -7.574 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.671 -8.877 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.621 -8.304 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.127 -7.590 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.789 -10.223 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.333 -9.228 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.837 -8.739 -5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.541 -9.736 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.016 -9.852 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.487 -10.576 -4.430 1.00 0.00 H new