USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 124 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 128 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Set 2.1: A 41 MET CE :methyl -138:sc= -0.185 (180deg=-1.02) USER MOD Set 2.2: A 116 CYS SG : rot 160:sc= 0 USER MOD Set 3.1: A 79 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 83 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.038) USER MOD Single : A 33 SER OG : rot 180:sc= -0.253 USER MOD Single : A 37 LYS NZ :NH3+ -112:sc= -1.62 (180deg=-4.56!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.602 K(o=0.6,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= 1.14 (180deg=0.489) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.425 F(o=-1.4,f=-0.42) USER MOD Single : A 57 SER OG : rot -30:sc= 0.0485 USER MOD Single : A 60 TYR OH : rot 150:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -47:sc= -6.54! USER MOD Single : A 84 GLN : amide:sc= -7.76! C(o=-7.8!,f=-13!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -154:sc= -0.167 (180deg=-0.957) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -1.49 F(o=-2.5!,f=-1.5) USER MOD Single : A 98 HIS : no HE2:sc= 0.843 K(o=0.84,f=-8.6!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -90:sc= -5.59! USER MOD Single : A 114 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.34) USER MOD Single : A 120 LYS NZ :NH3+ -169:sc= 0.875 (180deg=0.371) USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 0.009 -12.891 8.566 1.00 0.00 N ATOM 134 CA SER A 33 -0.496 -12.522 9.883 1.00 0.00 C ATOM 135 C SER A 33 -1.787 -13.274 10.196 1.00 0.00 C ATOM 136 O SER A 33 -1.861 -14.032 11.163 1.00 0.00 O ATOM 137 CB SER A 33 -0.757 -11.017 9.938 1.00 0.00 C ATOM 138 OG SER A 33 -1.759 -10.679 8.988 1.00 0.00 O ATOM 0 HA SER A 33 0.255 -12.790 10.626 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.077 -10.728 10.939 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.161 -10.469 9.726 1.00 0.00 H new ATOM 0 HG SER A 33 -1.930 -9.715 9.022 1.00 0.00 H new ATOM 144 N LEU A 34 -2.802 -13.065 9.366 1.00 0.00 N ATOM 145 CA LEU A 34 -4.087 -13.719 9.575 1.00 0.00 C ATOM 146 C LEU A 34 -3.887 -15.151 10.059 1.00 0.00 C ATOM 147 O LEU A 34 -4.604 -15.621 10.944 1.00 0.00 O ATOM 148 CB LEU A 34 -4.885 -13.729 8.266 1.00 0.00 C ATOM 149 CG LEU A 34 -6.222 -14.441 8.486 1.00 0.00 C ATOM 150 CD1 LEU A 34 -6.999 -13.738 9.602 1.00 0.00 C ATOM 151 CD2 LEU A 34 -7.039 -14.400 7.193 1.00 0.00 C ATOM 0 H LEU A 34 -2.761 -12.454 8.550 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.637 -13.164 10.335 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.057 -12.708 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.316 -14.234 7.485 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.039 -15.478 8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.951 -14.246 9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.418 -13.766 10.524 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.183 -12.701 9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.991 -14.907 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.221 -13.363 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.487 -14.901 6.398 1.00 0.00 H new ATOM 163 N GLU A 35 -2.913 -15.838 9.476 1.00 0.00 N ATOM 164 CA GLU A 35 -2.634 -17.217 9.858 1.00 0.00 C ATOM 165 C GLU A 35 -2.119 -17.280 11.294 1.00 0.00 C ATOM 166 O GLU A 35 -2.540 -18.130 12.077 1.00 0.00 O ATOM 167 CB GLU A 35 -1.587 -17.815 8.915 1.00 0.00 C ATOM 168 CG GLU A 35 -1.746 -19.336 8.874 1.00 0.00 C ATOM 169 CD GLU A 35 -0.716 -19.944 7.928 1.00 0.00 C ATOM 170 OE1 GLU A 35 -0.817 -21.129 7.657 1.00 0.00 O ATOM 171 OE2 GLU A 35 0.159 -19.216 7.490 1.00 0.00 O ATOM 0 H GLU A 35 -2.308 -15.468 8.743 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.559 -17.790 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.704 -17.399 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.585 -17.553 9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.621 -19.750 9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.752 -19.596 8.545 1.00 0.00 H new ATOM 178 N GLU A 36 -1.209 -16.371 11.634 1.00 0.00 N ATOM 179 CA GLU A 36 -0.646 -16.334 12.979 1.00 0.00 C ATOM 180 C GLU A 36 -1.724 -15.991 14.001 1.00 0.00 C ATOM 181 O GLU A 36 -1.784 -16.586 15.078 1.00 0.00 O ATOM 182 CB GLU A 36 0.473 -15.294 13.044 1.00 0.00 C ATOM 183 CG GLU A 36 1.659 -15.760 12.197 1.00 0.00 C ATOM 184 CD GLU A 36 2.681 -14.635 12.053 1.00 0.00 C ATOM 185 OE1 GLU A 36 2.370 -13.529 12.465 1.00 0.00 O ATOM 186 OE2 GLU A 36 3.755 -14.893 11.536 1.00 0.00 O ATOM 0 H GLU A 36 -0.849 -15.656 11.002 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.242 -17.319 13.213 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.110 -14.332 12.681 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.787 -15.147 14.077 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.127 -16.629 12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.311 -16.073 11.213 1.00 0.00 H new ATOM 193 N LYS A 37 -2.578 -15.035 13.656 1.00 0.00 N ATOM 194 CA LYS A 37 -3.650 -14.626 14.557 1.00 0.00 C ATOM 195 C LYS A 37 -4.510 -15.822 14.945 1.00 0.00 C ATOM 196 O LYS A 37 -4.807 -16.026 16.122 1.00 0.00 O ATOM 197 CB LYS A 37 -4.519 -13.558 13.872 1.00 0.00 C ATOM 198 CG LYS A 37 -4.731 -12.378 14.822 1.00 0.00 C ATOM 199 CD LYS A 37 -5.389 -11.227 14.069 1.00 0.00 C ATOM 200 CE LYS A 37 -6.815 -11.598 13.687 1.00 0.00 C ATOM 201 NZ LYS A 37 -7.641 -10.361 13.599 1.00 0.00 N ATOM 0 H LYS A 37 -2.551 -14.533 12.769 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.208 -14.210 15.462 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.038 -13.217 12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.480 -13.985 13.587 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.357 -12.682 15.661 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.776 -12.056 15.237 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.392 -10.331 14.690 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.814 -10.992 13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.823 -12.122 12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.236 -12.278 14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.341 -10.356 14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.026 -9.526 13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.133 -10.336 12.683 1.00 0.00 H new ATOM 215 N ILE A 38 -4.911 -16.603 13.950 1.00 0.00 N ATOM 216 CA ILE A 38 -5.741 -17.774 14.201 1.00 0.00 C ATOM 217 C ILE A 38 -4.983 -18.789 15.053 1.00 0.00 C ATOM 218 O ILE A 38 -5.535 -19.361 15.991 1.00 0.00 O ATOM 219 CB ILE A 38 -6.146 -18.419 12.874 1.00 0.00 C ATOM 220 CG1 ILE A 38 -7.071 -17.468 12.109 1.00 0.00 C ATOM 221 CG2 ILE A 38 -6.888 -19.730 13.150 1.00 0.00 C ATOM 222 CD1 ILE A 38 -7.265 -17.983 10.682 1.00 0.00 C ATOM 0 H ILE A 38 -4.677 -16.449 12.969 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.635 -17.458 14.738 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.254 -18.621 12.281 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.034 -17.395 12.615 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.644 -16.465 12.090 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.177 -20.190 12.205 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.236 -20.409 13.700 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.780 -19.525 13.742 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.923 -17.306 10.137 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.299 -18.033 10.179 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.711 -18.977 10.711 1.00 0.00 H new ATOM 234 N LYS A 39 -3.717 -19.009 14.716 1.00 0.00 N ATOM 235 CA LYS A 39 -2.894 -19.962 15.455 1.00 0.00 C ATOM 236 C LYS A 39 -2.768 -19.533 16.912 1.00 0.00 C ATOM 237 O LYS A 39 -2.798 -20.366 17.818 1.00 0.00 O ATOM 238 CB LYS A 39 -1.505 -20.047 14.822 1.00 0.00 C ATOM 239 CG LYS A 39 -1.614 -20.701 13.443 1.00 0.00 C ATOM 240 CD LYS A 39 -0.312 -20.481 12.663 1.00 0.00 C ATOM 241 CE LYS A 39 0.724 -21.523 13.073 1.00 0.00 C ATOM 242 NZ LYS A 39 1.789 -21.601 12.038 1.00 0.00 N ATOM 0 H LYS A 39 -3.240 -18.545 13.943 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.371 -20.941 15.415 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.073 -19.050 14.731 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.837 -20.626 15.460 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.809 -21.768 13.550 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.455 -20.277 12.894 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.504 -20.549 11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.072 -19.479 12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.158 -21.259 14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.248 -22.496 13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.495 -22.312 12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.368 -21.872 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.250 -20.674 11.944 1.00 0.00 H new ATOM 256 N LEU A 40 -2.617 -18.230 17.131 1.00 0.00 N ATOM 257 CA LEU A 40 -2.490 -17.706 18.485 1.00 0.00 C ATOM 258 C LEU A 40 -3.791 -17.881 19.260 1.00 0.00 C ATOM 259 O LEU A 40 -3.791 -18.369 20.386 1.00 0.00 O ATOM 260 CB LEU A 40 -2.120 -16.221 18.437 1.00 0.00 C ATOM 261 CG LEU A 40 -2.011 -15.673 19.861 1.00 0.00 C ATOM 262 CD1 LEU A 40 -0.970 -16.478 20.642 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.585 -14.204 19.809 1.00 0.00 C ATOM 0 H LEU A 40 -2.580 -17.524 16.395 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.704 -18.264 18.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.174 -16.088 17.912 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.874 -15.666 17.880 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.978 -15.755 20.356 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.893 -16.086 21.656 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.272 -17.525 20.679 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.002 -16.397 20.148 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.507 -13.812 20.823 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.618 -14.123 19.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.327 -13.630 19.254 1.00 0.00 H new ATOM 275 N MET A 41 -4.898 -17.485 18.644 1.00 0.00 N ATOM 276 CA MET A 41 -6.205 -17.599 19.281 1.00 0.00 C ATOM 277 C MET A 41 -6.584 -19.065 19.455 1.00 0.00 C ATOM 278 O MET A 41 -7.297 -19.427 20.391 1.00 0.00 O ATOM 279 CB MET A 41 -7.262 -16.886 18.441 1.00 0.00 C ATOM 280 CG MET A 41 -6.972 -15.383 18.417 1.00 0.00 C ATOM 281 SD MET A 41 -7.093 -14.713 20.094 1.00 0.00 S ATOM 282 CE MET A 41 -8.887 -14.872 20.272 1.00 0.00 C ATOM 0 H MET A 41 -4.918 -17.083 17.707 1.00 0.00 H new ATOM 0 HA MET A 41 -6.155 -17.130 20.264 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.262 -17.283 17.426 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.254 -17.069 18.855 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.976 -15.201 18.013 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.680 -14.877 17.760 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.285 -13.979 20.753 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.341 -14.988 19.288 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.116 -15.746 20.882 1.00 0.00 H new ATOM 292 N ARG A 42 -6.110 -19.903 18.542 1.00 0.00 N ATOM 293 CA ARG A 42 -6.407 -21.328 18.603 1.00 0.00 C ATOM 294 C ARG A 42 -5.794 -21.952 19.850 1.00 0.00 C ATOM 295 O ARG A 42 -6.183 -23.047 20.261 1.00 0.00 O ATOM 296 CB ARG A 42 -5.869 -22.035 17.353 1.00 0.00 C ATOM 297 CG ARG A 42 -6.950 -22.072 16.268 1.00 0.00 C ATOM 298 CD ARG A 42 -6.666 -23.224 15.310 1.00 0.00 C ATOM 299 NE ARG A 42 -5.356 -23.058 14.684 1.00 0.00 N ATOM 300 CZ ARG A 42 -5.238 -22.743 13.398 1.00 0.00 C ATOM 301 NH1 ARG A 42 -4.055 -22.601 12.866 1.00 0.00 N ATOM 302 NH2 ARG A 42 -6.306 -22.577 12.666 1.00 0.00 N ATOM 0 H ARG A 42 -5.523 -19.624 17.756 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.489 -21.449 18.646 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.987 -21.514 16.982 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.558 -23.049 17.604 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.933 -22.196 16.722 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.967 -21.128 15.724 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.700 -24.170 15.850 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.439 -23.266 14.543 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.514 -23.187 15.246 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.220 -22.732 13.437 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.965 -22.359 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.231 -22.689 13.081 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.215 -22.335 11.679 1.00 0.00 H new ATOM 316 N LEU A 43 -4.831 -21.257 20.439 1.00 0.00 N ATOM 317 CA LEU A 43 -4.175 -21.749 21.643 1.00 0.00 C ATOM 318 C LEU A 43 -4.828 -21.173 22.893 1.00 0.00 C ATOM 319 O LEU A 43 -4.952 -21.853 23.910 1.00 0.00 O ATOM 320 CB LEU A 43 -2.689 -21.379 21.615 1.00 0.00 C ATOM 321 CG LEU A 43 -1.928 -22.372 20.733 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.464 -21.944 20.632 1.00 0.00 C ATOM 323 CD2 LEU A 43 -2.008 -23.775 21.351 1.00 0.00 C ATOM 0 H LEU A 43 -4.488 -20.356 20.106 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.278 -22.834 21.670 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.563 -20.366 21.232 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.282 -21.390 22.626 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.373 -22.388 19.738 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.079 -22.650 20.004 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.406 -20.948 20.192 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.020 -21.928 21.627 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.466 -24.481 20.722 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.564 -23.760 22.346 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.051 -24.081 21.424 1.00 0.00 H new ATOM 335 N VAL A 44 -5.232 -19.913 22.811 1.00 0.00 N ATOM 336 CA VAL A 44 -5.862 -19.246 23.946 1.00 0.00 C ATOM 337 C VAL A 44 -7.176 -19.928 24.303 1.00 0.00 C ATOM 338 O VAL A 44 -7.449 -20.195 25.472 1.00 0.00 O ATOM 339 CB VAL A 44 -6.122 -17.777 23.605 1.00 0.00 C ATOM 340 CG1 VAL A 44 -6.460 -17.010 24.882 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.871 -17.162 22.963 1.00 0.00 C ATOM 0 H VAL A 44 -5.137 -19.334 21.977 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.190 -19.308 24.802 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.956 -17.715 22.906 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.645 -15.964 24.640 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.351 -17.440 25.340 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.625 -17.079 25.579 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.062 -16.116 22.722 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.035 -17.227 23.660 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.626 -17.705 22.050 1.00 0.00 H new ATOM 351 N VAL A 45 -7.981 -20.215 23.287 1.00 0.00 N ATOM 352 CA VAL A 45 -9.263 -20.875 23.500 1.00 0.00 C ATOM 353 C VAL A 45 -9.054 -22.283 24.049 1.00 0.00 C ATOM 354 O VAL A 45 -9.779 -22.728 24.939 1.00 0.00 O ATOM 355 CB VAL A 45 -10.047 -20.939 22.191 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.257 -21.857 22.363 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.527 -19.533 21.817 1.00 0.00 C ATOM 0 H VAL A 45 -7.770 -20.002 22.312 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.832 -20.296 24.228 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.404 -21.329 21.402 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.816 -21.902 21.428 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.919 -22.858 22.632 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.900 -21.467 23.152 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.087 -19.576 20.883 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.170 -19.146 22.608 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.666 -18.875 21.694 1.00 0.00 H new ATOM 367 N ARG A 46 -8.068 -22.983 23.500 1.00 0.00 N ATOM 368 CA ARG A 46 -7.775 -24.344 23.934 1.00 0.00 C ATOM 369 C ARG A 46 -7.273 -24.348 25.374 1.00 0.00 C ATOM 370 O ARG A 46 -7.213 -25.394 26.020 1.00 0.00 O ATOM 371 CB ARG A 46 -6.723 -24.972 23.017 1.00 0.00 C ATOM 372 CG ARG A 46 -6.505 -26.434 23.414 1.00 0.00 C ATOM 373 CD ARG A 46 -5.538 -27.091 22.430 1.00 0.00 C ATOM 374 NE ARG A 46 -5.440 -28.521 22.699 1.00 0.00 N ATOM 375 CZ ARG A 46 -4.556 -28.997 23.569 1.00 0.00 C ATOM 376 NH1 ARG A 46 -4.486 -30.281 23.793 1.00 0.00 N ATOM 377 NH2 ARG A 46 -3.756 -28.181 24.200 1.00 0.00 N ATOM 0 H ARG A 46 -7.461 -22.634 22.758 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.693 -24.929 23.881 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.048 -24.911 21.978 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.786 -24.421 23.091 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.105 -26.491 24.426 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.456 -26.967 23.416 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.881 -26.928 21.408 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.554 -26.630 22.513 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.061 -29.167 22.211 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.110 -30.919 23.300 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.807 -30.646 24.461 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.809 -27.178 24.025 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.077 -28.547 24.868 1.00 0.00 H new ATOM 391 N HIS A 47 -6.909 -23.172 25.872 1.00 0.00 N ATOM 392 CA HIS A 47 -6.411 -23.052 27.239 1.00 0.00 C ATOM 393 C HIS A 47 -7.160 -21.956 27.989 1.00 0.00 C ATOM 394 O HIS A 47 -6.616 -21.325 28.890 1.00 0.00 O ATOM 395 CB HIS A 47 -4.915 -22.734 27.221 1.00 0.00 C ATOM 396 CG HIS A 47 -4.170 -23.865 26.566 1.00 0.00 C ATOM 397 ND1 HIS A 47 -3.817 -23.839 25.226 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.705 -25.062 27.052 1.00 0.00 C ATOM 399 CE1 HIS A 47 -3.169 -24.986 24.954 1.00 0.00 C ATOM 400 NE2 HIS A 47 -3.073 -25.768 26.033 1.00 0.00 N ATOM 0 H HIS A 47 -6.948 -22.294 25.355 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.575 -24.000 27.751 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.736 -21.805 26.680 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.552 -22.586 28.238 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.013 -23.087 24.566 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.813 -25.404 28.071 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.775 -25.243 23.982 1.00 0.00 H new ATOM 407 N LYS A 48 -8.414 -21.735 27.611 1.00 0.00 N ATOM 408 CA LYS A 48 -9.227 -20.712 28.258 1.00 0.00 C ATOM 409 C LYS A 48 -9.597 -21.134 29.675 1.00 0.00 C ATOM 410 O LYS A 48 -9.793 -20.294 30.553 1.00 0.00 O ATOM 411 CB LYS A 48 -10.499 -20.466 27.444 1.00 0.00 C ATOM 412 CG LYS A 48 -11.368 -21.724 27.461 1.00 0.00 C ATOM 413 CD LYS A 48 -12.599 -21.508 26.579 1.00 0.00 C ATOM 414 CE LYS A 48 -13.461 -22.771 26.587 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.656 -22.562 25.722 1.00 0.00 N ATOM 0 H LYS A 48 -8.887 -22.246 26.866 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.646 -19.792 28.310 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.052 -19.624 27.860 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.242 -20.203 26.418 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.795 -22.579 27.101 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.675 -21.953 28.482 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.176 -20.659 26.944 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.292 -21.271 25.560 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.882 -23.621 26.227 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.772 -23.005 27.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.476 -23.045 26.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.855 -21.544 25.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.472 -22.951 24.775 1.00 0.00 H new ATOM 429 N HIS A 49 -9.700 -22.441 29.888 1.00 0.00 N ATOM 430 CA HIS A 49 -10.050 -22.966 31.201 1.00 0.00 C ATOM 431 C HIS A 49 -8.924 -22.720 32.199 1.00 0.00 C ATOM 432 O HIS A 49 -9.169 -22.371 33.354 1.00 0.00 O ATOM 433 CB HIS A 49 -10.332 -24.467 31.108 1.00 0.00 C ATOM 434 CG HIS A 49 -11.633 -24.690 30.387 1.00 0.00 C ATOM 435 ND1 HIS A 49 -12.937 -24.660 30.816 1.00 0.00 N flip ATOM 436 CD2 HIS A 49 -11.687 -24.990 29.035 1.00 0.00 C flip ATOM 437 CE1 HIS A 49 -13.788 -24.936 29.750 1.00 0.00 C flip ATOM 438 NE2 HIS A 49 -12.983 -25.126 28.701 1.00 0.00 N flip ATOM 0 H HIS A 49 -9.547 -23.152 29.173 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.945 -22.449 31.547 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.521 -24.968 30.580 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -10.378 -24.902 32.107 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -10.842 -25.095 28.370 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -14.867 -24.986 29.767 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -13.311 -25.347 27.761 1.00 0.00 H new ATOM 445 N GLU A 50 -7.688 -22.910 31.746 1.00 0.00 N ATOM 446 CA GLU A 50 -6.532 -22.714 32.611 1.00 0.00 C ATOM 447 C GLU A 50 -6.535 -21.312 33.208 1.00 0.00 C ATOM 448 O GLU A 50 -6.750 -20.327 32.502 1.00 0.00 O ATOM 449 CB GLU A 50 -5.241 -22.930 31.816 1.00 0.00 C ATOM 450 CG GLU A 50 -5.105 -24.410 31.454 1.00 0.00 C ATOM 451 CD GLU A 50 -3.845 -24.629 30.624 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.183 -23.651 30.318 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.558 -25.772 30.308 1.00 0.00 O ATOM 0 H GLU A 50 -7.464 -23.197 30.793 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.586 -23.440 33.423 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.253 -22.323 30.911 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.381 -22.608 32.404 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.062 -25.013 32.361 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.981 -24.738 30.894 1.00 0.00 H new ATOM 567 N SER A 57 -0.583 -13.244 35.149 1.00 0.00 N ATOM 568 CA SER A 57 0.240 -13.374 33.952 1.00 0.00 C ATOM 569 C SER A 57 0.558 -14.838 33.675 1.00 0.00 C ATOM 570 O SER A 57 0.802 -15.226 32.532 1.00 0.00 O ATOM 571 CB SER A 57 1.540 -12.591 34.127 1.00 0.00 C ATOM 572 OG SER A 57 2.305 -13.175 35.172 1.00 0.00 O ATOM 0 HA SER A 57 -0.316 -12.971 33.106 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.109 -12.597 33.197 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.321 -11.549 34.360 1.00 0.00 H new ATOM 0 HG SER A 57 1.704 -13.588 35.826 1.00 0.00 H new ATOM 578 N GLU A 58 0.547 -15.649 34.726 1.00 0.00 N ATOM 579 CA GLU A 58 0.835 -17.070 34.584 1.00 0.00 C ATOM 580 C GLU A 58 0.131 -17.635 33.355 1.00 0.00 C ATOM 581 O GLU A 58 0.573 -18.625 32.779 1.00 0.00 O ATOM 582 CB GLU A 58 0.372 -17.823 35.832 1.00 0.00 C ATOM 583 CG GLU A 58 0.796 -19.288 35.734 1.00 0.00 C ATOM 584 CD GLU A 58 0.562 -19.989 37.066 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.014 -19.370 37.945 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.963 -21.135 37.190 1.00 0.00 O ATOM 0 H GLU A 58 0.343 -15.349 35.679 1.00 0.00 H new ATOM 0 HA GLU A 58 1.911 -17.196 34.464 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.803 -17.368 36.724 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.711 -17.753 35.930 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.230 -19.787 34.947 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.849 -19.353 35.460 1.00 0.00 H new ATOM 593 N PHE A 59 -0.964 -16.996 32.959 1.00 0.00 N ATOM 594 CA PHE A 59 -1.719 -17.444 31.795 1.00 0.00 C ATOM 595 C PHE A 59 -1.044 -16.988 30.506 1.00 0.00 C ATOM 596 O PHE A 59 -0.539 -17.804 29.735 1.00 0.00 O ATOM 597 CB PHE A 59 -3.143 -16.889 31.853 1.00 0.00 C ATOM 598 CG PHE A 59 -3.857 -17.205 30.563 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.115 -18.536 30.214 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.264 -16.168 29.715 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.780 -18.830 29.017 1.00 0.00 C ATOM 602 CE2 PHE A 59 -4.929 -16.462 28.519 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.186 -17.793 28.170 1.00 0.00 C ATOM 0 H PHE A 59 -1.347 -16.172 33.423 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.752 -18.533 31.805 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.681 -17.325 32.695 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.119 -15.811 32.013 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.801 -19.336 30.868 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.065 -15.141 29.984 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.979 -19.857 28.748 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.244 -15.662 27.865 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.698 -18.020 27.246 1.00 0.00 H new ATOM 613 N TYR A 60 -1.036 -15.679 30.281 1.00 0.00 N ATOM 614 CA TYR A 60 -0.426 -15.124 29.080 1.00 0.00 C ATOM 615 C TYR A 60 1.037 -15.550 28.982 1.00 0.00 C ATOM 616 O TYR A 60 1.584 -15.681 27.886 1.00 0.00 O ATOM 617 CB TYR A 60 -0.514 -13.599 29.115 1.00 0.00 C ATOM 618 CG TYR A 60 -1.951 -13.176 29.276 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.436 -12.828 30.542 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.801 -13.133 28.164 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.772 -12.438 30.697 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.137 -12.742 28.319 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.622 -12.395 29.585 1.00 0.00 C ATOM 624 OH TYR A 60 -5.937 -12.009 29.738 1.00 0.00 O ATOM 0 H TYR A 60 -1.442 -14.987 30.910 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.962 -15.500 28.209 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.084 -13.210 29.939 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.102 -13.180 28.197 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.780 -12.860 31.399 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.427 -13.401 27.187 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.147 -12.170 31.674 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.793 -12.708 27.462 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.249 -11.578 28.915 1.00 0.00 H new ATOM 634 N ALA A 61 1.665 -15.764 30.133 1.00 0.00 N ATOM 635 CA ALA A 61 3.064 -16.179 30.167 1.00 0.00 C ATOM 636 C ALA A 61 3.217 -17.596 29.624 1.00 0.00 C ATOM 637 O ALA A 61 4.305 -18.000 29.212 1.00 0.00 O ATOM 638 CB ALA A 61 3.594 -16.117 31.599 1.00 0.00 C ATOM 0 H ALA A 61 1.231 -15.658 31.050 1.00 0.00 H new ATOM 0 HA ALA A 61 3.640 -15.499 29.539 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.638 -16.428 31.614 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.514 -15.096 31.973 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.008 -16.782 32.233 1.00 0.00 H new ATOM 644 N LYS A 62 2.122 -18.348 29.630 1.00 0.00 N ATOM 645 CA LYS A 62 2.146 -19.717 29.133 1.00 0.00 C ATOM 646 C LYS A 62 1.783 -19.762 27.655 1.00 0.00 C ATOM 647 O LYS A 62 2.315 -20.577 26.900 1.00 0.00 O ATOM 648 CB LYS A 62 1.167 -20.584 29.931 1.00 0.00 C ATOM 649 CG LYS A 62 1.837 -21.069 31.220 1.00 0.00 C ATOM 650 CD LYS A 62 1.007 -22.198 31.832 1.00 0.00 C ATOM 651 CE LYS A 62 -0.326 -21.643 32.333 1.00 0.00 C ATOM 652 NZ LYS A 62 -1.025 -22.682 33.139 1.00 0.00 N ATOM 0 H LYS A 62 1.213 -18.035 29.971 1.00 0.00 H new ATOM 0 HA LYS A 62 3.157 -20.106 29.256 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.271 -20.012 30.169 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.850 -21.437 29.331 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.847 -21.420 31.008 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.928 -20.245 31.928 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.832 -22.977 31.090 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.553 -22.659 32.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.157 -20.752 32.937 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.947 -21.343 31.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.932 -22.305 33.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.199 -23.521 32.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.433 -22.947 33.952 1.00 0.00 H new ATOM 666 N ILE A 63 0.870 -18.886 27.249 1.00 0.00 N ATOM 667 CA ILE A 63 0.440 -18.845 25.856 1.00 0.00 C ATOM 668 C ILE A 63 1.605 -18.481 24.944 1.00 0.00 C ATOM 669 O ILE A 63 1.835 -19.136 23.927 1.00 0.00 O ATOM 670 CB ILE A 63 -0.673 -17.805 25.690 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.897 -18.236 26.504 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.058 -17.698 24.213 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.371 -19.617 26.041 1.00 0.00 C ATOM 0 H ILE A 63 0.418 -18.202 27.856 1.00 0.00 H new ATOM 0 HA ILE A 63 0.070 -19.833 25.580 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.320 -16.836 26.044 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.648 -18.264 27.565 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.699 -17.508 26.384 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.850 -16.958 24.096 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.188 -17.394 23.631 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.411 -18.666 23.858 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.242 -19.917 26.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.638 -19.575 24.985 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.571 -20.343 26.184 1.00 0.00 H new ATOM 685 N ALA A 64 2.347 -17.448 25.321 1.00 0.00 N ATOM 686 CA ALA A 64 3.493 -17.014 24.528 1.00 0.00 C ATOM 687 C ALA A 64 4.591 -18.072 24.555 1.00 0.00 C ATOM 688 O ALA A 64 5.512 -18.043 23.740 1.00 0.00 O ATOM 689 CB ALA A 64 4.035 -15.691 25.073 1.00 0.00 C ATOM 0 H ALA A 64 2.179 -16.898 26.163 1.00 0.00 H new ATOM 0 HA ALA A 64 3.168 -16.872 23.497 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.890 -15.374 24.476 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.256 -14.930 25.023 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.346 -15.824 26.109 1.00 0.00 H new ATOM 695 N ARG A 65 4.497 -18.990 25.508 1.00 0.00 N ATOM 696 CA ARG A 65 5.491 -20.049 25.633 1.00 0.00 C ATOM 697 C ARG A 65 5.189 -21.188 24.666 1.00 0.00 C ATOM 698 O ARG A 65 6.080 -21.689 23.982 1.00 0.00 O ATOM 699 CB ARG A 65 5.511 -20.579 27.067 1.00 0.00 C ATOM 700 CG ARG A 65 6.617 -21.626 27.210 1.00 0.00 C ATOM 701 CD ARG A 65 6.594 -22.204 28.626 1.00 0.00 C ATOM 702 NE ARG A 65 6.940 -21.173 29.598 1.00 0.00 N ATOM 703 CZ ARG A 65 8.208 -20.880 29.867 1.00 0.00 C ATOM 704 NH1 ARG A 65 8.492 -19.954 30.741 1.00 0.00 N ATOM 705 NH2 ARG A 65 9.169 -21.520 29.258 1.00 0.00 N ATOM 0 H ARG A 65 3.749 -19.024 26.201 1.00 0.00 H new ATOM 0 HA ARG A 65 6.469 -19.635 25.387 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.679 -19.760 27.766 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.545 -21.019 27.317 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.475 -22.422 26.479 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.588 -21.175 27.006 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.605 -22.605 28.847 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.297 -23.034 28.699 1.00 0.00 H new ATOM 0 HE ARG A 65 6.196 -20.668 30.080 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.741 -19.455 31.218 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.465 -19.729 30.948 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.947 -22.245 28.576 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.142 -21.295 29.464 1.00 0.00 H new ATOM 719 N ILE A 66 3.925 -21.596 24.621 1.00 0.00 N ATOM 720 CA ILE A 66 3.511 -22.677 23.735 1.00 0.00 C ATOM 721 C ILE A 66 3.265 -22.152 22.325 1.00 0.00 C ATOM 722 O ILE A 66 3.250 -22.913 21.365 1.00 0.00 O ATOM 723 CB ILE A 66 2.239 -23.336 24.271 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.545 -24.024 25.603 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.738 -24.373 23.265 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.236 -24.451 26.270 1.00 0.00 C ATOM 0 H ILE A 66 3.174 -21.197 25.184 1.00 0.00 H new ATOM 0 HA ILE A 66 4.311 -23.416 23.697 1.00 0.00 H new ATOM 0 HB ILE A 66 1.472 -22.576 24.421 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.182 -24.893 25.438 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.094 -23.346 26.257 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.832 -24.842 23.647 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.521 -23.884 22.316 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.504 -25.133 23.114 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.454 -24.941 27.219 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.616 -23.573 26.449 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.704 -25.144 25.618 1.00 0.00 H new ATOM 738 N GLY A 67 3.064 -20.844 22.212 1.00 0.00 N ATOM 739 CA GLY A 67 2.814 -20.228 20.914 1.00 0.00 C ATOM 740 C GLY A 67 4.111 -20.079 20.127 1.00 0.00 C ATOM 741 O GLY A 67 4.097 -19.858 18.921 1.00 0.00 O ATOM 0 H GLY A 67 3.069 -20.193 22.997 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.108 -20.835 20.348 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.353 -19.250 21.053 1.00 0.00 H new ATOM 745 N TYR A 68 5.236 -20.192 20.818 1.00 0.00 N ATOM 746 CA TYR A 68 6.538 -20.068 20.170 1.00 0.00 C ATOM 747 C TYR A 68 7.283 -21.397 20.207 1.00 0.00 C ATOM 748 O TYR A 68 8.349 -21.539 19.607 1.00 0.00 O ATOM 749 CB TYR A 68 7.369 -18.989 20.868 1.00 0.00 C ATOM 750 CG TYR A 68 8.807 -19.089 20.416 1.00 0.00 C ATOM 751 CD1 TYR A 68 9.128 -18.923 19.063 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.817 -19.347 21.349 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.461 -19.016 18.644 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.150 -19.440 20.930 1.00 0.00 C ATOM 755 CZ TYR A 68 11.472 -19.274 19.578 1.00 0.00 C ATOM 756 OH TYR A 68 12.785 -19.366 19.165 1.00 0.00 O ATOM 0 H TYR A 68 5.276 -20.368 21.822 1.00 0.00 H new ATOM 0 HA TYR A 68 6.381 -19.784 19.129 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.971 -18.001 20.635 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.307 -19.110 21.949 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.348 -18.723 18.343 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.569 -19.474 22.392 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.709 -18.889 17.601 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.930 -19.640 21.650 1.00 0.00 H new ATOM 0 HH TYR A 68 13.359 -19.548 19.938 1.00 0.00 H new ATOM 766 N GLU A 69 6.723 -22.366 20.922 1.00 0.00 N ATOM 767 CA GLU A 69 7.346 -23.681 21.034 1.00 0.00 C ATOM 768 C GLU A 69 6.543 -24.722 20.264 1.00 0.00 C ATOM 769 O GLU A 69 6.862 -25.910 20.295 1.00 0.00 O ATOM 770 CB GLU A 69 7.442 -24.089 22.505 1.00 0.00 C ATOM 771 CG GLU A 69 8.444 -23.183 23.223 1.00 0.00 C ATOM 772 CD GLU A 69 8.481 -23.521 24.709 1.00 0.00 C ATOM 773 OE1 GLU A 69 7.767 -24.426 25.108 1.00 0.00 O ATOM 774 OE2 GLU A 69 9.223 -22.871 25.426 1.00 0.00 O ATOM 0 H GLU A 69 5.844 -22.268 21.430 1.00 0.00 H new ATOM 0 HA GLU A 69 8.348 -23.626 20.607 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.463 -24.013 22.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.755 -25.130 22.585 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.436 -23.308 22.788 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.165 -22.138 23.086 1.00 0.00 H new ATOM 781 N ASP A 70 5.498 -24.269 19.578 1.00 0.00 N ATOM 782 CA ASP A 70 4.655 -25.173 18.802 1.00 0.00 C ATOM 783 C ASP A 70 4.190 -24.500 17.515 1.00 0.00 C ATOM 784 O ASP A 70 4.244 -25.094 16.439 1.00 0.00 O ATOM 785 CB ASP A 70 3.439 -25.592 19.631 1.00 0.00 C ATOM 786 CG ASP A 70 3.859 -26.577 20.717 1.00 0.00 C ATOM 787 OD1 ASP A 70 4.944 -27.124 20.604 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.092 -26.769 21.646 1.00 0.00 O ATOM 0 H ASP A 70 5.216 -23.289 19.543 1.00 0.00 H new ATOM 0 HA ASP A 70 5.240 -26.056 18.545 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.978 -24.714 20.084 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.689 -26.049 18.985 1.00 0.00 H new ATOM 793 N GLU A 71 3.731 -23.258 17.635 1.00 0.00 N ATOM 794 CA GLU A 71 3.255 -22.517 16.472 1.00 0.00 C ATOM 795 C GLU A 71 4.418 -21.828 15.766 1.00 0.00 C ATOM 796 O GLU A 71 4.325 -21.484 14.588 1.00 0.00 O ATOM 797 CB GLU A 71 2.230 -21.475 16.909 1.00 0.00 C ATOM 798 CG GLU A 71 1.036 -22.155 17.578 1.00 0.00 C ATOM 799 CD GLU A 71 0.283 -23.016 16.570 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.594 -22.914 15.395 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.597 -23.754 16.981 1.00 0.00 O ATOM 0 H GLU A 71 3.679 -22.748 18.517 1.00 0.00 H new ATOM 0 HA GLU A 71 2.789 -23.217 15.779 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.690 -20.770 17.601 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.894 -20.901 16.046 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.379 -22.772 18.409 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.367 -21.402 17.995 1.00 0.00 H new ATOM 808 N GLY A 72 5.511 -21.626 16.495 1.00 0.00 N ATOM 809 CA GLY A 72 6.685 -20.974 15.927 1.00 0.00 C ATOM 810 C GLY A 72 6.426 -19.486 15.711 1.00 0.00 C ATOM 811 O GLY A 72 7.111 -18.835 14.921 1.00 0.00 O ATOM 0 H GLY A 72 5.608 -21.902 17.472 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.538 -21.107 16.593 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.945 -21.444 14.979 1.00 0.00 H new ATOM 893 N GLU A 78 5.554 -11.639 28.045 1.00 0.00 N ATOM 894 CA GLU A 78 4.392 -11.498 28.912 1.00 0.00 C ATOM 895 C GLU A 78 3.525 -10.319 28.480 1.00 0.00 C ATOM 896 O GLU A 78 2.362 -10.487 28.114 1.00 0.00 O ATOM 897 CB GLU A 78 4.845 -11.279 30.360 1.00 0.00 C ATOM 898 CG GLU A 78 3.625 -11.028 31.249 1.00 0.00 C ATOM 899 CD GLU A 78 4.069 -10.792 32.688 1.00 0.00 C ATOM 900 OE1 GLU A 78 5.265 -10.743 32.921 1.00 0.00 O ATOM 901 OE2 GLU A 78 3.202 -10.661 33.536 1.00 0.00 O ATOM 0 HA GLU A 78 3.805 -12.413 28.838 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.393 -12.151 30.716 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.527 -10.430 30.414 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.071 -10.163 30.884 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.949 -11.882 31.203 1.00 0.00 H new ATOM 908 N SER A 79 4.111 -9.131 28.541 1.00 0.00 N ATOM 909 CA SER A 79 3.396 -7.909 28.185 1.00 0.00 C ATOM 910 C SER A 79 2.832 -7.995 26.772 1.00 0.00 C ATOM 911 O SER A 79 1.640 -7.765 26.558 1.00 0.00 O ATOM 912 CB SER A 79 4.357 -6.718 28.272 1.00 0.00 C ATOM 913 OG SER A 79 3.605 -5.516 28.374 1.00 0.00 O ATOM 0 H SER A 79 5.077 -8.986 28.833 1.00 0.00 H new ATOM 0 HA SER A 79 2.567 -7.780 28.881 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.011 -6.826 29.137 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.997 -6.687 27.390 1.00 0.00 H new ATOM 0 HG SER A 79 4.216 -4.752 28.432 1.00 0.00 H new ATOM 919 N ALA A 80 3.682 -8.341 25.815 1.00 0.00 N ATOM 920 CA ALA A 80 3.249 -8.457 24.427 1.00 0.00 C ATOM 921 C ALA A 80 2.107 -9.462 24.308 1.00 0.00 C ATOM 922 O ALA A 80 1.275 -9.365 23.406 1.00 0.00 O ATOM 923 CB ALA A 80 4.420 -8.907 23.552 1.00 0.00 C ATOM 0 H ALA A 80 4.669 -8.545 25.971 1.00 0.00 H new ATOM 0 HA ALA A 80 2.898 -7.482 24.090 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.089 -8.992 22.517 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.225 -8.175 23.617 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.781 -9.876 23.898 1.00 0.00 H new ATOM 929 N CYS A 81 2.073 -10.425 25.221 1.00 0.00 N ATOM 930 CA CYS A 81 1.030 -11.442 25.207 1.00 0.00 C ATOM 931 C CYS A 81 -0.303 -10.845 25.648 1.00 0.00 C ATOM 932 O CYS A 81 -1.349 -11.485 25.536 1.00 0.00 O ATOM 933 CB CYS A 81 1.412 -12.586 26.138 1.00 0.00 C ATOM 934 SG CYS A 81 3.150 -12.995 25.906 1.00 0.00 S ATOM 0 H CYS A 81 2.752 -10.523 25.976 1.00 0.00 H new ATOM 0 HA CYS A 81 0.926 -11.820 24.190 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.230 -12.302 27.174 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.792 -13.458 25.933 1.00 0.00 H new ATOM 0 HG CYS A 81 3.408 -13.089 24.635 1.00 0.00 H new ATOM 940 N ARG A 82 -0.257 -9.618 26.158 1.00 0.00 N ATOM 941 CA ARG A 82 -1.466 -8.943 26.613 1.00 0.00 C ATOM 942 C ARG A 82 -1.881 -7.864 25.626 1.00 0.00 C ATOM 943 O ARG A 82 -3.039 -7.483 25.578 1.00 0.00 O ATOM 944 CB ARG A 82 -1.232 -8.317 27.989 1.00 0.00 C ATOM 945 CG ARG A 82 -1.328 -9.398 29.068 1.00 0.00 C ATOM 946 CD ARG A 82 -1.320 -8.742 30.448 1.00 0.00 C ATOM 947 NE ARG A 82 -0.048 -8.072 30.684 1.00 0.00 N ATOM 948 CZ ARG A 82 0.982 -8.720 31.220 1.00 0.00 C ATOM 949 NH1 ARG A 82 2.111 -8.099 31.420 1.00 0.00 N ATOM 950 NH2 ARG A 82 0.863 -9.978 31.545 1.00 0.00 N ATOM 0 H ARG A 82 0.599 -9.074 26.266 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.265 -9.681 26.683 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.251 -7.842 28.022 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.970 -7.537 28.175 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.240 -9.979 28.935 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.492 -10.092 28.978 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.136 -8.023 30.521 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.490 -9.496 31.217 1.00 0.00 H new ATOM 0 HE ARG A 82 0.054 -7.089 30.434 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.204 -7.116 31.165 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.901 -8.596 31.831 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.020 -10.464 31.388 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.653 -10.475 31.956 1.00 0.00 H new ATOM 964 N ASN A 83 -0.922 -7.373 24.849 1.00 0.00 N ATOM 965 CA ASN A 83 -1.202 -6.337 23.862 1.00 0.00 C ATOM 966 C ASN A 83 -1.688 -6.953 22.554 1.00 0.00 C ATOM 967 O ASN A 83 -2.668 -6.497 21.966 1.00 0.00 O ATOM 968 CB ASN A 83 0.057 -5.510 23.604 1.00 0.00 C ATOM 969 CG ASN A 83 0.552 -4.897 24.913 1.00 0.00 C ATOM 970 OD1 ASN A 83 -0.207 -4.228 25.614 1.00 0.00 O ATOM 971 ND2 ASN A 83 1.789 -5.086 25.284 1.00 0.00 N ATOM 0 H ASN A 83 0.052 -7.674 24.883 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.987 -5.691 24.255 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.834 -6.140 23.170 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.156 -4.723 22.881 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.128 -4.679 26.156 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.417 -5.641 24.702 1.00 0.00 H new ATOM 978 N GLN A 84 -0.988 -7.989 22.102 1.00 0.00 N ATOM 979 CA GLN A 84 -1.349 -8.656 20.856 1.00 0.00 C ATOM 980 C GLN A 84 -2.780 -9.178 20.924 1.00 0.00 C ATOM 981 O GLN A 84 -3.634 -8.760 20.149 1.00 0.00 O ATOM 982 CB GLN A 84 -0.394 -9.825 20.596 1.00 0.00 C ATOM 983 CG GLN A 84 0.850 -9.315 19.870 1.00 0.00 C ATOM 984 CD GLN A 84 1.474 -8.162 20.648 1.00 0.00 C ATOM 985 OE1 GLN A 84 0.819 -7.147 20.888 1.00 0.00 O ATOM 986 NE2 GLN A 84 2.709 -8.257 21.061 1.00 0.00 N ATOM 0 H GLN A 84 -0.174 -8.382 22.575 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.274 -7.933 20.043 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.111 -10.294 21.538 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.891 -10.588 19.997 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.573 -10.123 19.760 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.585 -8.985 18.866 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.250 -9.098 20.861 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.133 -7.490 21.583 1.00 0.00 H new ATOM 995 N ILE A 85 -3.035 -10.076 21.868 1.00 0.00 N ATOM 996 CA ILE A 85 -4.367 -10.651 22.028 1.00 0.00 C ATOM 997 C ILE A 85 -5.400 -9.545 22.217 1.00 0.00 C ATOM 998 O ILE A 85 -6.507 -9.619 21.680 1.00 0.00 O ATOM 999 CB ILE A 85 -4.392 -11.584 23.236 1.00 0.00 C ATOM 1000 CG1 ILE A 85 -3.541 -12.821 22.941 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.833 -12.013 23.519 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.343 -13.624 24.228 1.00 0.00 C ATOM 0 H ILE A 85 -2.342 -10.421 22.532 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.611 -11.218 21.129 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.990 -11.064 24.106 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.028 -13.438 22.186 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.575 -12.522 22.534 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.852 -12.679 24.381 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.440 -11.132 23.728 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.235 -12.533 22.650 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.737 -14.505 24.017 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.838 -13.005 24.969 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.313 -13.935 24.616 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.034 -8.521 22.975 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.934 -7.399 23.205 1.00 0.00 C ATOM 1016 C ILE A 86 -6.267 -6.689 21.898 1.00 0.00 C ATOM 1017 O ILE A 86 -7.412 -6.342 21.646 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.307 -6.404 24.195 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.742 -6.743 25.626 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.728 -4.974 23.845 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.392 -5.572 26.556 1.00 0.00 C ATOM 0 H ILE A 86 -4.128 -8.443 23.438 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.858 -7.791 23.630 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.222 -6.478 24.127 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.814 -6.938 25.656 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.244 -7.652 25.964 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.278 -4.278 24.553 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.393 -4.733 22.836 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.814 -4.892 23.896 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.700 -5.811 27.574 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.316 -5.399 26.534 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.911 -4.674 26.221 1.00 0.00 H new ATOM 1033 N SER A 87 -5.250 -6.446 21.089 1.00 0.00 N ATOM 1034 CA SER A 87 -5.451 -5.750 19.826 1.00 0.00 C ATOM 1035 C SER A 87 -6.446 -6.509 18.955 1.00 0.00 C ATOM 1036 O SER A 87 -7.347 -5.914 18.364 1.00 0.00 O ATOM 1037 CB SER A 87 -4.121 -5.628 19.087 1.00 0.00 C ATOM 1038 OG SER A 87 -4.351 -4.964 17.852 1.00 0.00 O ATOM 0 H SER A 87 -4.285 -6.716 21.280 1.00 0.00 H new ATOM 0 HA SER A 87 -5.847 -4.756 20.035 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.403 -5.071 19.689 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.693 -6.615 18.912 1.00 0.00 H new ATOM 0 HG SER A 87 -3.505 -4.876 17.365 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.283 -7.826 18.890 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.173 -8.660 18.091 1.00 0.00 C ATOM 1046 C ILE A 88 -8.625 -8.458 18.535 1.00 0.00 C ATOM 1047 O ILE A 88 -9.555 -8.619 17.762 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.805 -10.126 18.255 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.317 -10.317 17.946 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.633 -10.975 17.286 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.832 -11.653 18.522 1.00 0.00 C ATOM 0 H ILE A 88 -5.547 -8.337 19.378 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.067 -8.372 17.045 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.010 -10.436 19.280 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.155 -10.295 16.868 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.740 -9.496 18.372 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.368 -12.026 17.405 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.693 -10.842 17.500 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.428 -10.663 16.262 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.773 -11.783 18.299 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.978 -11.658 19.602 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.399 -12.469 18.075 1.00 0.00 H new ATOM 1063 N MET A 89 -8.818 -8.120 19.794 1.00 0.00 N ATOM 1064 CA MET A 89 -10.168 -7.901 20.306 1.00 0.00 C ATOM 1065 C MET A 89 -10.776 -6.630 19.712 1.00 0.00 C ATOM 1066 O MET A 89 -11.876 -6.656 19.160 1.00 0.00 O ATOM 1067 CB MET A 89 -10.126 -7.770 21.830 1.00 0.00 C ATOM 1068 CG MET A 89 -9.901 -9.147 22.454 1.00 0.00 C ATOM 1069 SD MET A 89 -11.331 -10.202 22.121 1.00 0.00 S ATOM 1070 CE MET A 89 -12.483 -9.384 23.252 1.00 0.00 C ATOM 0 H MET A 89 -8.073 -7.991 20.478 1.00 0.00 H new ATOM 0 HA MET A 89 -10.784 -8.754 20.020 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.327 -7.090 22.125 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.060 -7.342 22.195 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.998 -9.600 22.045 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.750 -9.050 23.529 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.249 -10.093 23.566 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.941 -9.024 24.126 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.954 -8.542 22.745 1.00 0.00 H new ATOM 1080 N ARG A 90 -10.042 -5.526 19.808 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.523 -4.252 19.283 1.00 0.00 C ATOM 1082 C ARG A 90 -11.020 -4.427 17.850 1.00 0.00 C ATOM 1083 O ARG A 90 -12.054 -3.876 17.473 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.390 -3.222 19.304 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.931 -1.862 18.864 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.784 -0.852 18.786 1.00 0.00 C ATOM 1087 NE ARG A 90 -7.878 -1.205 17.698 1.00 0.00 N ATOM 1088 CZ ARG A 90 -6.919 -0.372 17.306 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.121 -0.709 16.330 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -6.776 0.783 17.896 1.00 0.00 N ATOM 0 H ARG A 90 -9.119 -5.487 20.241 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.345 -3.904 19.908 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.967 -3.151 20.306 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.585 -3.537 18.640 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.418 -1.950 17.893 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.687 -1.515 19.569 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.182 0.150 18.628 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.241 -0.834 19.731 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.982 -2.106 17.231 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.233 -1.611 15.868 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.385 -0.070 16.029 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.400 1.047 18.658 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.040 1.422 17.595 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.281 -5.193 17.060 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.662 -5.442 15.672 1.00 0.00 C ATOM 1106 C VAL A 91 -11.918 -6.304 15.601 1.00 0.00 C ATOM 1107 O VAL A 91 -12.790 -6.083 14.760 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.519 -6.130 14.923 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -8.401 -5.125 14.658 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -8.976 -7.265 15.768 1.00 0.00 C ATOM 0 H VAL A 91 -9.418 -5.652 17.352 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.872 -4.482 15.201 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.892 -6.520 13.976 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.588 -5.617 14.124 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.786 -4.303 14.054 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.029 -4.736 15.606 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.161 -7.757 15.236 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.606 -6.870 16.714 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.770 -7.986 15.962 1.00 0.00 H new ATOM 1120 N TYR A 92 -12.002 -7.291 16.487 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.154 -8.182 16.521 1.00 0.00 C ATOM 1122 C TYR A 92 -14.420 -7.405 16.855 1.00 0.00 C ATOM 1123 O TYR A 92 -15.467 -7.642 16.270 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.935 -9.287 17.554 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.190 -10.118 17.679 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.520 -11.045 16.683 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -15.024 -9.959 18.792 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.685 -11.813 16.800 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.188 -10.728 18.909 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.519 -11.655 17.914 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.666 -12.412 18.030 1.00 0.00 O ATOM 0 H TYR A 92 -11.289 -7.493 17.188 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.270 -8.633 15.535 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.097 -9.917 17.255 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.678 -8.851 18.519 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.876 -11.168 15.825 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.770 -9.244 19.560 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.940 -12.527 16.031 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.831 -10.606 19.768 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.129 -12.179 18.862 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.312 -6.487 17.809 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.456 -5.679 18.217 1.00 0.00 C ATOM 1143 C GLU A 93 -15.794 -4.643 17.151 1.00 0.00 C ATOM 1144 O GLU A 93 -16.963 -4.338 16.914 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.156 -4.980 19.542 1.00 0.00 C ATOM 1146 CG GLU A 93 -14.991 -6.026 20.647 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.302 -6.776 20.856 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.328 -6.262 20.442 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.261 -7.853 21.427 1.00 0.00 O ATOM 0 H GLU A 93 -13.448 -6.284 18.312 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.314 -6.339 18.343 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.248 -4.384 19.453 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.964 -4.294 19.794 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.200 -6.727 20.380 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.688 -5.542 21.575 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.760 -4.098 16.516 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.959 -3.094 15.478 1.00 0.00 C ATOM 1158 C GLN A 94 -15.682 -3.690 14.276 1.00 0.00 C ATOM 1159 O GLN A 94 -16.715 -3.178 13.844 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.608 -2.527 15.031 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.180 -1.407 15.981 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.907 -0.746 15.465 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -10.993 -0.361 16.312 1.00 0.00 O flip ATOM 1164 NE2 GLN A 94 -11.742 -0.573 14.257 1.00 0.00 N flip ATOM 0 H GLN A 94 -13.785 -4.333 16.700 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.572 -2.294 15.893 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.856 -3.316 15.022 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.682 -2.145 14.013 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.976 -0.667 16.066 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.012 -1.810 16.980 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.458 -0.875 13.596 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.889 -0.128 13.917 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.140 -4.781 13.748 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.743 -5.444 12.598 1.00 0.00 C ATOM 1175 C ARG A 95 -17.047 -6.127 12.996 1.00 0.00 C ATOM 1176 O ARG A 95 -17.804 -6.586 12.141 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.776 -6.477 12.019 1.00 0.00 C ATOM 1178 CG ARG A 95 -13.758 -5.777 11.117 1.00 0.00 C ATOM 1179 CD ARG A 95 -12.772 -6.809 10.565 1.00 0.00 C ATOM 1180 NE ARG A 95 -11.830 -6.168 9.654 1.00 0.00 N ATOM 1181 CZ ARG A 95 -12.086 -6.080 8.353 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -11.228 -5.503 7.556 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -13.195 -6.572 7.872 1.00 0.00 N ATOM 0 H ARG A 95 -14.289 -5.223 14.095 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.958 -4.690 11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -14.263 -7.002 12.825 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -15.326 -7.227 11.450 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -14.269 -5.272 10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -13.223 -5.012 11.679 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.232 -7.282 11.385 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.314 -7.598 10.044 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.961 -5.781 10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.361 -5.120 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.425 -5.436 6.557 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.865 -7.024 8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.392 -6.505 6.873 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.298 -6.196 14.298 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.518 -6.815 14.803 1.00 0.00 C ATOM 1199 C LEU A 96 -19.696 -5.855 14.706 1.00 0.00 C ATOM 1200 O LEU A 96 -20.829 -6.267 14.458 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.324 -7.256 16.252 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.640 -7.791 16.810 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.152 -8.921 15.916 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.412 -8.326 18.226 1.00 0.00 C ATOM 0 H LEU A 96 -16.676 -5.833 15.021 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.735 -7.689 14.188 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.555 -8.026 16.307 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.978 -6.416 16.854 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.376 -6.988 16.837 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.092 -9.303 16.315 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.313 -8.542 14.907 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.416 -9.725 15.888 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.351 -8.708 18.626 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.676 -9.129 18.197 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.047 -7.522 18.864 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.423 -4.572 14.924 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.471 -3.561 14.871 1.00 0.00 C ATOM 1218 C ALA A 97 -20.723 -3.127 13.432 1.00 0.00 C ATOM 1219 O ALA A 97 -21.829 -2.714 13.083 1.00 0.00 O ATOM 1220 CB ALA A 97 -20.064 -2.344 15.707 1.00 0.00 C ATOM 0 H ALA A 97 -18.493 -4.211 15.137 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.387 -3.992 15.276 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.852 -1.592 15.663 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.911 -2.649 16.742 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.139 -1.924 15.312 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.690 -3.223 12.601 1.00 0.00 N ATOM 1227 CA HIS A 98 -19.812 -2.830 11.202 1.00 0.00 C ATOM 1228 C HIS A 98 -20.373 -3.975 10.368 1.00 0.00 C ATOM 1229 O HIS A 98 -19.734 -5.016 10.214 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.442 -2.423 10.654 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.973 -1.176 11.352 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -17.272 -1.216 12.546 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -18.098 0.155 11.035 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -17.003 0.053 12.903 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -17.485 0.929 12.016 1.00 0.00 N ATOM 0 H HIS A 98 -18.767 -3.566 12.869 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.496 -1.984 11.142 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -17.724 -3.229 10.805 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.505 -2.249 9.580 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -17.008 -2.056 13.061 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.596 0.542 10.158 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -16.464 0.330 13.797 1.00 0.00 H new ATOM 1343 N THR A 105 -17.588 -12.979 2.454 1.00 0.00 N ATOM 1344 CA THR A 105 -17.286 -13.865 3.571 1.00 0.00 C ATOM 1345 C THR A 105 -16.101 -14.765 3.238 1.00 0.00 C ATOM 1346 O THR A 105 -15.739 -14.923 2.073 1.00 0.00 O ATOM 1347 CB THR A 105 -18.509 -14.728 3.897 1.00 0.00 C ATOM 1348 OG1 THR A 105 -18.604 -15.787 2.954 1.00 0.00 O ATOM 1349 CG2 THR A 105 -19.773 -13.869 3.832 1.00 0.00 C ATOM 0 HA THR A 105 -17.030 -13.254 4.436 1.00 0.00 H new ATOM 0 HB THR A 105 -18.405 -15.142 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 105 -19.385 -16.341 3.162 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.643 -14.484 4.064 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.699 -13.057 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 105 -19.879 -13.453 2.830 1.00 0.00 H new ATOM 1357 N THR A 106 -15.505 -15.358 4.270 1.00 0.00 N ATOM 1358 CA THR A 106 -14.365 -16.245 4.074 1.00 0.00 C ATOM 1359 C THR A 106 -14.248 -17.231 5.237 1.00 0.00 C ATOM 1360 O THR A 106 -14.767 -16.988 6.324 1.00 0.00 O ATOM 1361 CB THR A 106 -13.075 -15.420 3.955 1.00 0.00 C ATOM 1362 OG1 THR A 106 -13.278 -14.143 4.541 1.00 0.00 O ATOM 1363 CG2 THR A 106 -12.703 -15.250 2.481 1.00 0.00 C ATOM 0 H THR A 106 -15.791 -15.241 5.242 1.00 0.00 H new ATOM 0 HA THR A 106 -14.516 -16.809 3.154 1.00 0.00 H new ATOM 0 HB THR A 106 -12.267 -15.937 4.472 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.609 -13.520 3.861 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.787 -14.664 2.402 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.547 -16.230 2.030 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.509 -14.735 1.959 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.578 -18.333 5.020 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.393 -19.379 6.067 1.00 0.00 C ATOM 1373 C PRO A 107 -12.402 -18.948 7.147 1.00 0.00 C ATOM 1374 O PRO A 107 -12.589 -19.247 8.327 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.858 -20.582 5.284 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.212 -20.012 4.065 1.00 0.00 C ATOM 1377 CD PRO A 107 -12.932 -18.703 3.752 1.00 0.00 C ATOM 0 HA PRO A 107 -14.319 -19.589 6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.142 -21.149 5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.664 -21.266 5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.150 -19.837 4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.289 -20.705 3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.234 -17.934 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.664 -18.832 2.955 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.351 -18.247 6.735 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.340 -17.785 7.678 1.00 0.00 C ATOM 1387 C GLU A 108 -10.918 -16.725 8.608 1.00 0.00 C ATOM 1388 O GLU A 108 -10.774 -16.811 9.828 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.146 -17.200 6.918 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.448 -18.308 6.125 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.107 -18.467 4.759 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.106 -17.808 4.525 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.602 -19.246 3.967 1.00 0.00 O ATOM 0 H GLU A 108 -11.178 -17.988 5.764 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.012 -18.636 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.482 -16.413 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.446 -16.743 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.392 -18.069 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.500 -19.248 6.675 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.578 -15.731 8.027 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.174 -14.659 8.815 1.00 0.00 C ATOM 1402 C GLU A 109 -13.264 -15.216 9.726 1.00 0.00 C ATOM 1403 O GLU A 109 -13.478 -14.719 10.832 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.767 -13.593 7.889 1.00 0.00 C ATOM 1405 CG GLU A 109 -14.037 -14.131 7.226 1.00 0.00 C ATOM 1406 CD GLU A 109 -14.674 -13.047 6.369 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -15.891 -12.971 6.359 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -13.939 -12.309 5.732 1.00 0.00 O ATOM 0 H GLU A 109 -11.714 -15.644 7.020 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.397 -14.205 9.430 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.996 -12.691 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.039 -13.314 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.797 -14.998 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.741 -14.465 7.988 1.00 0.00 H new ATOM 1415 N ASP A 110 -13.965 -16.239 9.243 1.00 0.00 N ATOM 1416 CA ASP A 110 -15.043 -16.846 10.017 1.00 0.00 C ATOM 1417 C ASP A 110 -14.481 -17.534 11.257 1.00 0.00 C ATOM 1418 O ASP A 110 -14.996 -17.359 12.360 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.791 -17.867 9.155 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.866 -17.166 8.323 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.052 -15.976 8.517 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.484 -17.830 7.507 1.00 0.00 O ATOM 0 H ASP A 110 -13.808 -16.661 8.328 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.733 -16.063 10.330 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.090 -18.383 8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.249 -18.625 9.790 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.423 -18.317 11.065 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.805 -19.030 12.177 1.00 0.00 C ATOM 1429 C GLU A 111 -12.338 -18.052 13.250 1.00 0.00 C ATOM 1430 O GLU A 111 -12.672 -18.201 14.426 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.606 -19.838 11.675 1.00 0.00 C ATOM 1432 CG GLU A 111 -11.003 -20.631 12.835 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.832 -21.472 12.339 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.397 -21.246 11.222 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.387 -22.331 13.083 1.00 0.00 O ATOM 0 H GLU A 111 -12.980 -18.473 10.160 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.547 -19.701 12.608 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.918 -20.516 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.857 -19.171 11.249 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.667 -19.949 13.616 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.762 -21.275 13.279 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.583 -17.042 12.835 1.00 0.00 N ATOM 1443 CA LEU A 112 -11.085 -16.048 13.775 1.00 0.00 C ATOM 1444 C LEU A 112 -12.239 -15.463 14.584 1.00 0.00 C ATOM 1445 O LEU A 112 -12.126 -15.286 15.798 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.370 -14.924 13.011 1.00 0.00 C ATOM 1447 CG LEU A 112 -10.162 -13.716 13.931 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -9.095 -14.041 14.975 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.727 -12.515 13.101 1.00 0.00 C ATOM 0 H LEU A 112 -11.305 -16.891 11.865 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.382 -16.528 14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.408 -15.279 12.640 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.959 -14.632 12.141 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.097 -13.482 14.440 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.950 -13.180 15.627 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.416 -14.896 15.569 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.157 -14.279 14.474 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.579 -11.655 13.755 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.793 -12.746 12.588 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.497 -12.283 12.365 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.332 -15.143 13.905 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.488 -14.563 14.576 1.00 0.00 C ATOM 1463 C ASP A 113 -15.008 -15.509 15.651 1.00 0.00 C ATOM 1464 O ASP A 113 -15.316 -15.086 16.766 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.597 -14.286 13.555 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.375 -12.929 12.888 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.466 -12.230 13.305 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -16.118 -12.609 11.974 1.00 0.00 O ATOM 0 H ASP A 113 -13.443 -15.273 12.899 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.185 -13.627 15.046 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.611 -15.072 12.800 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.568 -14.302 14.049 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.098 -16.790 15.311 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.581 -17.786 16.260 1.00 0.00 C ATOM 1475 C GLN A 114 -14.655 -17.873 17.468 1.00 0.00 C ATOM 1476 O GLN A 114 -15.109 -17.879 18.611 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.660 -19.156 15.581 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.728 -19.124 14.486 1.00 0.00 C ATOM 1479 CD GLN A 114 -18.101 -18.888 15.105 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -18.503 -19.609 16.019 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -18.850 -17.916 14.660 1.00 0.00 N ATOM 0 H GLN A 114 -14.846 -17.161 14.395 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.573 -17.485 16.598 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.693 -19.417 15.152 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.901 -19.924 16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.502 -18.334 13.769 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.725 -20.065 13.936 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.515 -17.320 13.903 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -19.770 -17.753 15.069 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.353 -17.927 17.207 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.374 -18.017 18.283 1.00 0.00 C ATOM 1492 C LEU A 115 -12.500 -16.815 19.213 1.00 0.00 C ATOM 1493 O LEU A 115 -12.439 -16.957 20.435 1.00 0.00 O ATOM 1494 CB LEU A 115 -10.961 -18.057 17.696 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.759 -19.371 16.938 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.424 -19.332 16.192 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.757 -20.540 17.929 1.00 0.00 C ATOM 0 H LEU A 115 -12.954 -17.910 16.268 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.561 -18.929 18.850 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.811 -17.211 17.025 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.222 -17.967 18.493 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.570 -19.504 16.222 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.281 -20.268 15.653 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.426 -18.503 15.485 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.612 -19.197 16.906 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.613 -21.475 17.388 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.947 -20.407 18.646 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.709 -20.570 18.458 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.679 -15.635 18.632 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.820 -14.418 19.422 1.00 0.00 C ATOM 1511 C CYS A 116 -14.070 -14.486 20.294 1.00 0.00 C ATOM 1512 O CYS A 116 -14.052 -14.079 21.456 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.905 -13.202 18.499 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.244 -12.749 17.943 1.00 0.00 S ATOM 0 H CYS A 116 -12.730 -15.495 17.623 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.946 -14.324 20.067 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.538 -13.427 17.641 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.365 -12.365 19.024 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.329 -12.027 16.866 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.155 -15.003 19.725 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.408 -15.118 20.462 1.00 0.00 C ATOM 1522 C ASP A 117 -16.233 -16.023 21.677 1.00 0.00 C ATOM 1523 O ASP A 117 -16.679 -15.695 22.776 1.00 0.00 O ATOM 1524 CB ASP A 117 -17.497 -15.690 19.551 1.00 0.00 C ATOM 1525 CG ASP A 117 -18.810 -15.807 20.317 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -18.798 -15.570 21.514 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.809 -16.131 19.697 1.00 0.00 O ATOM 0 H ASP A 117 -15.192 -15.346 18.765 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.702 -14.125 20.802 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.630 -15.046 18.681 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.195 -16.669 19.180 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.578 -17.163 21.471 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.354 -18.109 22.559 1.00 0.00 C ATOM 1534 C GLU A 118 -14.493 -17.476 23.647 1.00 0.00 C ATOM 1535 O GLU A 118 -14.803 -17.578 24.834 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.661 -19.363 22.022 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.664 -20.447 23.101 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.212 -21.775 22.506 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.195 -21.880 21.291 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.891 -22.668 23.273 1.00 0.00 O ATOM 0 H GLU A 118 -15.197 -17.452 20.570 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.319 -18.381 22.987 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.174 -19.721 21.130 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.638 -19.129 21.729 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.001 -20.161 23.918 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.664 -20.549 23.523 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.419 -16.814 23.236 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.530 -16.153 24.182 1.00 0.00 C ATOM 1549 C TRP A 119 -13.263 -15.032 24.915 1.00 0.00 C ATOM 1550 O TRP A 119 -13.073 -14.834 26.114 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.307 -15.594 23.448 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.832 -14.350 24.134 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -11.335 -13.112 23.920 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.784 -14.199 25.135 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -10.662 -12.212 24.727 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.697 -12.834 25.495 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -8.910 -15.106 25.761 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.776 -12.383 26.441 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -7.981 -14.657 26.713 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -7.914 -13.298 27.052 1.00 0.00 C ATOM 0 H TRP A 119 -13.143 -16.721 22.258 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.199 -16.885 24.918 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.510 -16.338 23.430 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.562 -15.375 22.411 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.131 -12.867 23.232 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -10.855 -11.211 24.752 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -8.954 -16.155 25.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -8.730 -11.335 26.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -7.314 -15.362 27.187 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.197 -12.959 27.785 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.074 -14.288 24.176 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.817 -13.178 24.758 1.00 0.00 C ATOM 1573 C LYS A 120 -15.765 -13.684 25.837 1.00 0.00 C ATOM 1574 O LYS A 120 -15.963 -13.029 26.860 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.610 -12.452 23.671 1.00 0.00 C ATOM 1576 CG LYS A 120 -16.288 -11.219 24.271 1.00 0.00 C ATOM 1577 CD LYS A 120 -17.037 -10.462 23.172 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.702 -9.220 23.769 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.415 -8.474 22.694 1.00 0.00 N ATOM 0 H LYS A 120 -14.234 -14.431 23.179 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.109 -12.483 25.209 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.947 -12.156 22.858 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.358 -13.120 23.244 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.981 -11.518 25.058 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.544 -10.570 24.732 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.346 -10.172 22.380 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.789 -11.108 22.719 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.403 -9.510 24.552 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.952 -8.581 24.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.707 -7.543 23.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.781 -8.348 21.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.256 -9.010 22.398 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.352 -14.853 25.599 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.280 -15.439 26.560 1.00 0.00 C ATOM 1595 C ALA A 121 -16.561 -15.795 27.856 1.00 0.00 C ATOM 1596 O ALA A 121 -17.059 -15.527 28.949 1.00 0.00 O ATOM 1597 CB ALA A 121 -17.917 -16.697 25.968 1.00 0.00 C ATOM 0 H ALA A 121 -16.203 -15.409 24.757 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.055 -14.705 26.779 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.609 -17.129 26.691 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.458 -16.437 25.058 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -17.138 -17.423 25.732 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.381 -16.393 27.726 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.600 -16.777 28.892 1.00 0.00 C ATOM 1605 C ARG A 122 -14.261 -15.552 29.738 1.00 0.00 C ATOM 1606 O ARG A 122 -14.350 -15.590 30.966 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.313 -17.468 28.451 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.401 -17.684 29.672 1.00 0.00 C ATOM 1609 CD ARG A 122 -11.233 -16.688 29.636 1.00 0.00 C ATOM 1610 NE ARG A 122 -10.069 -17.304 29.013 1.00 0.00 N ATOM 1611 CZ ARG A 122 -9.854 -17.208 27.705 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -8.801 -17.766 27.174 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -10.696 -16.555 26.951 1.00 0.00 N ATOM 0 H ARG A 122 -14.949 -16.620 26.831 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.193 -17.465 29.494 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.544 -18.425 27.982 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -12.800 -16.862 27.704 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -12.973 -17.554 30.591 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.019 -18.705 29.676 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -11.523 -15.796 29.081 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.987 -16.368 30.648 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.406 -17.819 29.592 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -8.143 -18.276 27.763 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -8.636 -17.692 26.170 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -11.519 -16.118 27.366 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -10.531 -16.481 25.947 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.879 -14.469 29.076 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.541 -13.238 29.776 1.00 0.00 C ATOM 1629 C LEU A 123 -14.748 -12.705 30.540 1.00 0.00 C ATOM 1630 O LEU A 123 -14.616 -12.210 31.657 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.043 -12.182 28.777 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.569 -11.869 29.044 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.067 -10.865 28.009 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -11.427 -11.268 30.451 1.00 0.00 C ATOM 0 H LEU A 123 -13.796 -14.417 28.061 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.747 -13.455 30.491 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.168 -12.546 27.757 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.639 -11.274 28.867 1.00 0.00 H new ATOM 0 HG LEU A 123 -10.981 -12.784 28.975 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.017 -10.641 28.198 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.173 -11.288 27.010 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.652 -9.948 28.079 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.379 -11.043 30.646 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.013 -10.351 30.516 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -11.789 -11.983 31.190 1.00 0.00 H new ATOM 1646 N SER A 124 -15.916 -12.795 29.919 1.00 0.00 N ATOM 1647 CA SER A 124 -17.142 -12.317 30.544 1.00 0.00 C ATOM 1648 C SER A 124 -17.507 -13.187 31.742 1.00 0.00 C ATOM 1649 O SER A 124 -17.948 -12.686 32.775 1.00 0.00 O ATOM 1650 CB SER A 124 -18.285 -12.325 29.531 1.00 0.00 C ATOM 1651 OG SER A 124 -19.460 -11.815 30.146 1.00 0.00 O ATOM 0 H SER A 124 -16.041 -13.192 28.988 1.00 0.00 H new ATOM 0 HA SER A 124 -16.977 -11.297 30.890 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.022 -11.719 28.664 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.460 -13.339 29.170 1.00 0.00 H new ATOM 0 HG SER A 124 -20.195 -11.817 29.498 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.322 -14.495 31.591 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.642 -15.429 32.665 1.00 0.00 C ATOM 1659 C GLU A 125 -16.820 -15.112 33.909 1.00 0.00 C ATOM 1660 O GLU A 125 -17.332 -15.149 35.028 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.353 -16.863 32.212 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.746 -17.838 33.323 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.476 -19.271 32.878 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -16.396 -19.519 32.368 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -18.353 -20.101 33.054 1.00 0.00 O ATOM 0 H GLU A 125 -16.956 -14.929 30.744 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.700 -15.330 32.906 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.910 -17.088 31.303 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.295 -16.974 31.973 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.181 -17.617 34.229 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.801 -17.717 33.568 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.546 -14.801 33.707 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.660 -14.470 34.817 1.00 0.00 C ATOM 1674 C LEU A 126 -15.073 -13.149 35.457 1.00 0.00 C ATOM 1675 O LEU A 126 -14.951 -12.970 36.669 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.215 -14.383 34.330 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.743 -15.768 33.880 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.357 -15.653 33.243 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.674 -16.706 35.090 1.00 0.00 C ATOM 0 H LEU A 126 -15.104 -14.771 32.788 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.737 -15.259 35.565 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.141 -13.676 33.504 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.573 -14.010 35.128 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.446 -16.170 33.150 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.021 -16.639 32.923 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.407 -14.989 32.380 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.654 -15.249 33.972 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.338 -17.691 34.768 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.973 -16.305 35.822 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.662 -16.790 35.542 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.545 -12.222 34.631 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.972 -10.918 35.125 1.00 0.00 C ATOM 1693 C GLN A 127 -17.194 -11.052 36.025 1.00 0.00 C ATOM 1694 O GLN A 127 -17.278 -10.414 37.074 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.298 -9.994 33.950 1.00 0.00 C ATOM 1696 CG GLN A 127 -15.001 -9.537 33.280 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.319 -8.714 32.036 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.486 -8.451 31.746 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.344 -8.289 31.280 1.00 0.00 N ATOM 0 H GLN A 127 -15.641 -12.347 33.623 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.156 -10.491 35.708 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.928 -10.515 33.229 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.862 -9.130 34.300 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.411 -8.943 33.978 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.397 -10.403 33.009 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.378 -8.508 31.523 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.548 -7.737 30.447 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.138 -11.890 35.609 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.354 -12.102 36.385 1.00 0.00 C ATOM 1710 C GLN A 128 -19.011 -12.576 37.794 1.00 0.00 C ATOM 1711 O GLN A 128 -19.668 -12.198 38.763 1.00 0.00 O ATOM 1712 CB GLN A 128 -20.241 -13.139 35.695 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.797 -12.552 34.396 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.650 -13.592 33.677 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -22.503 -14.230 34.294 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -21.470 -13.802 32.402 1.00 0.00 N ATOM 0 H GLN A 128 -18.085 -12.430 34.745 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.891 -11.156 36.452 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.667 -14.041 35.482 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.059 -13.430 36.354 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.395 -11.667 34.614 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.978 -12.233 33.752 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.763 -13.272 31.893 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -22.037 -14.496 31.914 1.00 0.00 H new ATOM 1725 N TYR A 129 -17.981 -13.408 37.898 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.556 -13.925 39.194 1.00 0.00 C ATOM 1727 C TYR A 129 -17.077 -12.791 40.094 1.00 0.00 C ATOM 1728 O TYR A 129 -17.360 -12.773 41.291 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.431 -14.945 39.007 1.00 0.00 C ATOM 1730 CG TYR A 129 -17.024 -16.301 38.706 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -17.952 -16.446 37.668 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -16.645 -17.415 39.466 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -18.502 -17.703 37.390 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -17.195 -18.672 39.188 1.00 0.00 C ATOM 1735 CZ TYR A 129 -18.123 -18.816 38.150 1.00 0.00 C ATOM 1736 OH TYR A 129 -18.665 -20.055 37.876 1.00 0.00 O ATOM 0 H TYR A 129 -17.428 -13.737 37.107 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.409 -14.411 39.667 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.776 -14.634 38.193 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -15.819 -14.996 39.907 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -18.244 -15.588 37.081 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.928 -17.304 40.266 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -19.218 -17.814 36.590 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.903 -19.531 39.774 1.00 0.00 H new ATOM 0 HH TYR A 129 -18.295 -20.718 38.495 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.347 -11.848 39.509 1.00 0.00 N ATOM 1747 CA ARG A 130 -15.829 -10.715 40.268 1.00 0.00 C ATOM 1748 C ARG A 130 -16.974 -9.873 40.820 1.00 0.00 C ATOM 1749 O ARG A 130 -16.895 -9.357 41.935 1.00 0.00 O ATOM 1750 CB ARG A 130 -14.942 -9.849 39.371 1.00 0.00 C ATOM 1751 CG ARG A 130 -13.636 -10.589 39.071 1.00 0.00 C ATOM 1752 CD ARG A 130 -12.623 -10.314 40.184 1.00 0.00 C ATOM 1753 NE ARG A 130 -12.354 -8.884 40.275 1.00 0.00 N ATOM 1754 CZ ARG A 130 -11.479 -8.296 39.466 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -11.254 -7.014 39.568 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -10.844 -9.000 38.569 1.00 0.00 N ATOM 0 H ARG A 130 -16.102 -11.845 38.519 1.00 0.00 H new ATOM 0 HA ARG A 130 -15.240 -11.097 41.101 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -15.463 -9.618 38.442 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -14.729 -8.899 39.861 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -13.823 -11.660 38.992 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -13.234 -10.264 38.111 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.008 -10.681 41.135 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -11.697 -10.854 39.985 1.00 0.00 H new ATOM 0 HE ARG A 130 -12.846 -8.325 40.972 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.750 -6.463 40.269 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -10.582 -6.563 38.947 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -11.019 -10.002 38.489 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -10.172 -8.549 37.948 1.00 0.00 H new ATOM 1770 N GLU A 131 -18.035 -9.738 40.033 1.00 0.00 N ATOM 1771 CA GLU A 131 -19.191 -8.956 40.454 1.00 0.00 C ATOM 1772 C GLU A 131 -19.865 -9.602 41.660 1.00 0.00 C ATOM 1773 O GLU A 131 -20.368 -8.912 42.546 1.00 0.00 O ATOM 1774 CB GLU A 131 -20.195 -8.846 39.305 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.596 -7.994 38.184 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.552 -7.949 36.996 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.614 -8.541 37.093 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -20.207 -7.323 36.007 1.00 0.00 O ATOM 0 H GLU A 131 -18.119 -10.156 39.107 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.849 -7.960 40.733 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.444 -9.838 38.929 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -21.123 -8.398 39.660 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.405 -6.984 38.546 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.637 -8.408 37.874 1.00 0.00 H new