USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=19 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 41 MET CE :methyl -135:sc= -0.154 (180deg=-0.955) USER MOD Set 1.2: A 116 CYS SG : rot 160:sc= 0 USER MOD Set 2.1: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 83 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 33 SER OG : rot 17:sc= 0.782 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -3.52 (180deg=-3.84) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 1.04 K(o=1,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 0.864 (180deg=0.0152) USER MOD Single : A 49 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.069) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180: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 -50:sc= -6.77! USER MOD Single : A 84 GLN : amide:sc= -5.06! C(o=-5.1!,f=-9.5!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -154:sc= -0.159 (180deg=-0.94) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.24! C(o=-1.2!,f=-4.2!) USER MOD Single : A 98 HIS : no HD1:sc= -0.0768 K(o=-0.077,f=-1.7) USER MOD Single : A 105 THR OG1 : rot -39:sc= 0.0416 USER MOD Single : A 106 THR OG1 : rot -90:sc= -5.71! USER MOD Single : A 114 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.35) USER MOD Single : A 120 LYS NZ :NH3+ -168:sc= 0.864 (180deg=0.365) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.604 K(o=-0.6,f=-4.7!) USER MOD Single : A 128 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 0.036 -12.897 8.597 1.00 0.00 N ATOM 134 CA SER A 33 -0.502 -12.507 9.895 1.00 0.00 C ATOM 135 C SER A 33 -1.785 -13.275 10.196 1.00 0.00 C ATOM 136 O SER A 33 -1.850 -14.042 11.156 1.00 0.00 O ATOM 137 CB SER A 33 -0.789 -11.006 9.911 1.00 0.00 C ATOM 138 OG SER A 33 0.088 -10.350 9.004 1.00 0.00 O ATOM 0 HA SER A 33 0.238 -12.744 10.660 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.826 -10.819 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.654 -10.609 10.917 1.00 0.00 H new ATOM 0 HG SER A 33 0.471 -11.007 8.386 1.00 0.00 H new ATOM 144 N LEU A 34 -2.803 -13.064 9.368 1.00 0.00 N ATOM 145 CA LEU A 34 -4.090 -13.719 9.573 1.00 0.00 C ATOM 146 C LEU A 34 -3.891 -15.150 10.060 1.00 0.00 C ATOM 147 O LEU A 34 -4.606 -15.620 10.945 1.00 0.00 O ATOM 148 CB LEU A 34 -4.886 -13.728 8.266 1.00 0.00 C ATOM 149 CG LEU A 34 -6.248 -14.381 8.503 1.00 0.00 C ATOM 150 CD1 LEU A 34 -7.025 -13.578 9.548 1.00 0.00 C ATOM 151 CD2 LEU A 34 -7.036 -14.404 7.191 1.00 0.00 C ATOM 0 H LEU A 34 -2.763 -12.450 8.555 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.643 -13.163 10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.018 -12.709 7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.338 -14.274 7.498 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.105 -15.400 8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.996 -14.044 9.717 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.464 -13.559 10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.169 -12.559 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.007 -14.869 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.179 -13.384 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.484 -14.975 6.445 1.00 0.00 H new ATOM 163 N GLU A 35 -2.915 -15.838 9.476 1.00 0.00 N ATOM 164 CA GLU A 35 -2.631 -17.216 9.859 1.00 0.00 C ATOM 165 C GLU A 35 -2.119 -17.279 11.295 1.00 0.00 C ATOM 166 O GLU A 35 -2.541 -18.130 12.078 1.00 0.00 O ATOM 167 CB GLU A 35 -1.585 -17.815 8.916 1.00 0.00 C ATOM 168 CG GLU A 35 -1.063 -19.129 9.501 1.00 0.00 C ATOM 169 CD GLU A 35 -0.242 -19.875 8.455 1.00 0.00 C ATOM 170 OE1 GLU A 35 0.040 -21.042 8.674 1.00 0.00 O ATOM 171 OE2 GLU A 35 0.093 -19.269 7.451 1.00 0.00 O ATOM 0 H GLU A 35 -2.312 -15.467 8.742 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.555 -17.790 9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.024 -17.991 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.762 -17.114 8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.451 -18.928 10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.898 -19.748 9.829 1.00 0.00 H new ATOM 178 N GLU A 36 -1.208 -16.372 11.633 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 -1.726 -15.993 14.001 1.00 0.00 C ATOM 181 O GLU A 36 -1.785 -16.588 15.077 1.00 0.00 O ATOM 182 CB GLU A 36 0.472 -15.293 13.048 1.00 0.00 C ATOM 183 CG GLU A 36 1.674 -15.779 12.235 1.00 0.00 C ATOM 184 CD GLU A 36 2.767 -14.716 12.234 1.00 0.00 C ATOM 185 OE1 GLU A 36 2.567 -13.687 12.858 1.00 0.00 O ATOM 186 OE2 GLU A 36 3.789 -14.946 11.608 1.00 0.00 O ATOM 0 H GLU A 36 -0.846 -15.659 11.000 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.240 -17.319 13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.119 -14.338 12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.764 -15.126 14.085 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.058 -16.707 12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.367 -15.998 11.212 1.00 0.00 H new ATOM 193 N LYS A 37 -2.576 -15.031 13.657 1.00 0.00 N ATOM 194 CA LYS A 37 -3.651 -14.619 14.553 1.00 0.00 C ATOM 195 C LYS A 37 -4.511 -15.816 14.944 1.00 0.00 C ATOM 196 O LYS A 37 -4.804 -16.024 16.121 1.00 0.00 O ATOM 197 CB LYS A 37 -4.522 -13.562 13.872 1.00 0.00 C ATOM 198 CG LYS A 37 -3.949 -12.171 14.150 1.00 0.00 C ATOM 199 CD LYS A 37 -4.407 -11.202 13.059 1.00 0.00 C ATOM 200 CE LYS A 37 -3.485 -11.326 11.845 1.00 0.00 C ATOM 201 NZ LYS A 37 -4.203 -10.860 10.625 1.00 0.00 N ATOM 0 H LYS A 37 -2.543 -14.525 12.772 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.206 -14.197 15.454 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.559 -13.743 12.798 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.545 -13.626 14.242 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.280 -11.818 15.127 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.860 -12.214 14.179 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.435 -11.421 12.772 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.393 -10.180 13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.583 -10.733 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.168 -12.361 11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.670 -11.144 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.151 -11.286 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.290 -9.824 10.648 1.00 0.00 H new ATOM 215 N ILE A 38 -4.913 -16.600 13.949 1.00 0.00 N ATOM 216 CA ILE A 38 -5.740 -17.775 14.200 1.00 0.00 C ATOM 217 C ILE A 38 -4.984 -18.790 15.051 1.00 0.00 C ATOM 218 O ILE A 38 -5.536 -19.361 15.991 1.00 0.00 O ATOM 219 CB ILE A 38 -6.148 -18.419 12.875 1.00 0.00 C ATOM 220 CG1 ILE A 38 -6.845 -17.378 11.996 1.00 0.00 C ATOM 221 CG2 ILE A 38 -7.107 -19.580 13.145 1.00 0.00 C ATOM 222 CD1 ILE A 38 -6.805 -17.832 10.536 1.00 0.00 C ATOM 0 H ILE A 38 -4.682 -16.445 12.968 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.633 -17.459 14.740 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.260 -18.792 12.364 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.878 -17.247 12.319 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.353 -16.411 12.101 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.398 -20.039 12.200 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.613 -20.322 13.772 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.995 -19.207 13.656 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.302 -17.090 9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.768 -17.940 10.217 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.317 -18.790 10.439 1.00 0.00 H new ATOM 234 N LYS A 39 -3.717 -19.010 14.714 1.00 0.00 N ATOM 235 CA LYS A 39 -2.894 -19.960 15.454 1.00 0.00 C ATOM 236 C LYS A 39 -2.764 -19.534 16.913 1.00 0.00 C ATOM 237 O LYS A 39 -2.793 -20.367 17.818 1.00 0.00 O ATOM 238 CB LYS A 39 -1.504 -20.050 14.821 1.00 0.00 C ATOM 239 CG LYS A 39 -1.596 -20.792 13.487 1.00 0.00 C ATOM 240 CD LYS A 39 -0.329 -20.535 12.670 1.00 0.00 C ATOM 241 CE LYS A 39 0.771 -21.501 13.115 1.00 0.00 C ATOM 242 NZ LYS A 39 1.884 -21.476 12.125 1.00 0.00 N ATOM 0 H LYS A 39 -3.241 -18.547 13.940 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.375 -20.937 15.414 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.099 -19.050 14.666 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.821 -20.570 15.492 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.718 -21.861 13.661 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.473 -20.457 12.933 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.536 -20.667 11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.001 -19.505 12.805 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.141 -21.219 14.101 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.370 -22.511 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.632 -22.132 12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.526 -21.765 11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.272 -20.513 12.064 1.00 0.00 H new ATOM 256 N LEU A 40 -2.622 -18.231 17.133 1.00 0.00 N ATOM 257 CA LEU A 40 -2.489 -17.705 18.487 1.00 0.00 C ATOM 258 C LEU A 40 -3.792 -17.881 19.260 1.00 0.00 C ATOM 259 O LEU A 40 -3.793 -18.369 20.390 1.00 0.00 O ATOM 260 CB LEU A 40 -2.119 -16.221 18.437 1.00 0.00 C ATOM 261 CG LEU A 40 -2.029 -15.669 19.860 1.00 0.00 C ATOM 262 CD1 LEU A 40 -1.008 -16.480 20.659 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.589 -14.204 19.811 1.00 0.00 C ATOM 0 H LEU A 40 -2.596 -17.525 16.398 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.700 -18.259 18.996 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.166 -16.090 17.924 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.866 -15.668 17.868 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.005 -15.741 20.339 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.944 -16.086 21.673 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.320 -17.524 20.694 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.032 -16.409 20.180 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.525 -13.809 20.825 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.613 -14.133 19.331 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.316 -13.625 19.242 1.00 0.00 H new ATOM 275 N MET A 41 -4.899 -17.480 18.643 1.00 0.00 N ATOM 276 CA MET A 41 -6.204 -17.598 19.284 1.00 0.00 C ATOM 277 C MET A 41 -6.587 -19.065 19.453 1.00 0.00 C ATOM 278 O MET A 41 -7.299 -19.426 20.389 1.00 0.00 O ATOM 279 CB MET A 41 -7.265 -16.885 18.443 1.00 0.00 C ATOM 280 CG MET A 41 -6.969 -15.385 18.413 1.00 0.00 C ATOM 281 SD MET A 41 -7.090 -14.712 20.090 1.00 0.00 S ATOM 282 CE MET A 41 -8.889 -14.823 20.250 1.00 0.00 C ATOM 0 H MET A 41 -4.919 -17.074 17.708 1.00 0.00 H new ATOM 0 HA MET A 41 -6.148 -17.133 20.268 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.270 -17.286 17.429 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.256 -17.063 18.861 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.972 -15.208 18.010 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.674 -14.878 17.754 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.274 -13.898 20.679 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.333 -14.980 19.267 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.145 -15.659 20.901 1.00 0.00 H new ATOM 292 N ARG A 42 -6.109 -19.905 18.540 1.00 0.00 N ATOM 293 CA ARG A 42 -6.409 -21.331 18.598 1.00 0.00 C ATOM 294 C ARG A 42 -5.793 -21.957 19.845 1.00 0.00 C ATOM 295 O ARG A 42 -6.179 -23.051 20.257 1.00 0.00 O ATOM 296 CB ARG A 42 -5.863 -22.030 17.351 1.00 0.00 C ATOM 297 CG ARG A 42 -6.971 -22.139 16.301 1.00 0.00 C ATOM 298 CD ARG A 42 -6.559 -23.148 15.228 1.00 0.00 C ATOM 299 NE ARG A 42 -5.343 -22.703 14.557 1.00 0.00 N ATOM 300 CZ ARG A 42 -5.365 -22.297 13.292 1.00 0.00 C ATOM 301 NH1 ARG A 42 -4.263 -21.903 12.714 1.00 0.00 N ATOM 302 NH2 ARG A 42 -6.488 -22.293 12.628 1.00 0.00 N ATOM 0 H ARG A 42 -5.517 -19.626 17.757 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.491 -21.455 18.640 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.019 -21.471 16.948 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.493 -23.022 17.610 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.903 -22.452 16.771 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.155 -21.165 15.848 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.396 -24.126 15.682 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.362 -23.264 14.501 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.460 -22.703 15.068 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.385 -21.907 13.233 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.280 -21.591 11.743 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.349 -22.601 13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.505 -21.981 11.657 1.00 0.00 H new ATOM 316 N LEU A 43 -4.834 -21.256 20.442 1.00 0.00 N ATOM 317 CA LEU A 43 -4.172 -21.754 21.642 1.00 0.00 C ATOM 318 C LEU A 43 -4.821 -21.171 22.893 1.00 0.00 C ATOM 319 O LEU A 43 -4.954 -21.852 23.910 1.00 0.00 O ATOM 320 CB LEU A 43 -2.689 -21.380 21.613 1.00 0.00 C ATOM 321 CG LEU A 43 -1.914 -22.426 20.810 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.456 -21.985 20.669 1.00 0.00 C ATOM 323 CD2 LEU A 43 -1.970 -23.771 21.539 1.00 0.00 C ATOM 0 H LEU A 43 -4.500 -20.348 20.117 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.273 -22.839 21.666 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.560 -20.394 21.166 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.298 -21.323 22.629 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.360 -22.528 19.821 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.096 -22.731 20.097 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.414 -21.027 20.152 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.009 -21.883 21.658 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.418 -24.518 20.968 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.524 -23.668 22.528 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.008 -24.087 21.641 1.00 0.00 H new ATOM 335 N VAL A 44 -5.224 -19.907 22.810 1.00 0.00 N ATOM 336 CA VAL A 44 -5.859 -19.243 23.943 1.00 0.00 C ATOM 337 C VAL A 44 -7.173 -19.930 24.300 1.00 0.00 C ATOM 338 O VAL A 44 -7.448 -20.195 25.471 1.00 0.00 O ATOM 339 CB VAL A 44 -6.125 -17.775 23.605 1.00 0.00 C ATOM 340 CG1 VAL A 44 -6.735 -17.073 24.819 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.807 -17.092 23.232 1.00 0.00 C ATOM 0 H VAL A 44 -5.123 -19.326 21.978 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.186 -19.304 24.799 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.818 -17.716 22.765 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.924 -16.027 24.577 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.673 -17.559 25.087 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.043 -17.132 25.659 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.995 -16.046 22.991 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.115 -17.152 24.072 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.371 -17.591 22.367 1.00 0.00 H new ATOM 351 N VAL A 45 -7.981 -20.216 23.284 1.00 0.00 N ATOM 352 CA VAL A 45 -9.264 -20.874 23.504 1.00 0.00 C ATOM 353 C VAL A 45 -9.058 -22.285 24.044 1.00 0.00 C ATOM 354 O VAL A 45 -9.781 -22.730 24.936 1.00 0.00 O ATOM 355 CB VAL A 45 -10.049 -20.937 22.192 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.261 -21.854 22.366 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.524 -19.532 21.816 1.00 0.00 C ATOM 0 H VAL A 45 -7.773 -20.005 22.308 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.827 -20.296 24.237 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.407 -21.329 21.403 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.820 -21.899 21.432 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.924 -22.855 22.636 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.903 -21.462 23.155 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.083 -19.575 20.882 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.166 -19.141 22.606 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.661 -18.877 21.693 1.00 0.00 H new ATOM 367 N ARG A 46 -8.068 -22.983 23.499 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 -7.269 -24.349 25.373 1.00 0.00 C ATOM 370 O ARG A 46 -7.205 -25.397 26.015 1.00 0.00 O ATOM 371 CB ARG A 46 -6.722 -24.971 23.019 1.00 0.00 C ATOM 372 CG ARG A 46 -6.501 -26.431 23.419 1.00 0.00 C ATOM 373 CD ARG A 46 -5.566 -27.101 22.411 1.00 0.00 C ATOM 374 NE ARG A 46 -5.331 -28.491 22.787 1.00 0.00 N ATOM 375 CZ ARG A 46 -4.642 -29.308 21.998 1.00 0.00 C ATOM 376 NH1 ARG A 46 -4.445 -30.548 22.356 1.00 0.00 N ATOM 377 NH2 ARG A 46 -4.161 -28.872 20.867 1.00 0.00 N ATOM 0 H ARG A 46 -7.458 -22.632 22.760 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.694 -24.927 23.881 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.047 -24.913 21.980 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.786 -24.417 23.092 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.072 -26.484 24.420 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.454 -26.958 23.453 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.003 -27.056 21.413 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.619 -26.563 22.369 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.702 -28.841 23.670 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.820 -30.889 23.241 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.916 -31.176 21.751 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.314 -27.903 20.588 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.632 -29.500 20.262 1.00 0.00 H new ATOM 391 N HIS A 47 -6.911 -23.171 25.873 1.00 0.00 N ATOM 392 CA HIS A 47 -6.412 -23.052 27.238 1.00 0.00 C ATOM 393 C HIS A 47 -7.158 -21.953 27.988 1.00 0.00 C ATOM 394 O HIS A 47 -6.607 -21.316 28.886 1.00 0.00 O ATOM 395 CB HIS A 47 -4.915 -22.735 27.221 1.00 0.00 C ATOM 396 CG HIS A 47 -4.168 -23.878 26.591 1.00 0.00 C ATOM 397 ND1 HIS A 47 -3.761 -23.853 25.266 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.746 -25.085 27.090 1.00 0.00 C ATOM 399 CE1 HIS A 47 -3.125 -25.012 25.015 1.00 0.00 C ATOM 400 NE2 HIS A 47 -3.088 -25.800 26.093 1.00 0.00 N ATOM 0 H HIS A 47 -6.956 -22.292 25.358 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.577 -24.001 27.749 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.733 -21.816 26.663 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.556 -22.568 28.237 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.916 -23.094 24.602 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.901 -25.428 28.102 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.697 -25.273 24.059 1.00 0.00 H new ATOM 407 N LYS A 48 -8.414 -21.735 27.613 1.00 0.00 N ATOM 408 CA LYS A 48 -9.227 -20.710 28.257 1.00 0.00 C ATOM 409 C LYS A 48 -9.600 -21.134 29.674 1.00 0.00 C ATOM 410 O LYS A 48 -9.795 -20.294 30.552 1.00 0.00 O ATOM 411 CB LYS A 48 -10.499 -20.465 27.444 1.00 0.00 C ATOM 412 CG LYS A 48 -11.338 -21.743 27.410 1.00 0.00 C ATOM 413 CD LYS A 48 -12.577 -21.518 26.541 1.00 0.00 C ATOM 414 CE LYS A 48 -13.410 -22.801 26.497 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.617 -22.580 25.651 1.00 0.00 N ATOM 0 H LYS A 48 -8.889 -22.250 26.872 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.645 -19.790 28.307 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.074 -19.651 27.886 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.242 -20.159 26.430 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.747 -22.568 27.012 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.636 -22.022 28.421 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.173 -20.699 26.944 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.280 -21.230 25.533 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.815 -23.620 26.094 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.707 -23.089 27.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.414 -23.127 26.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.860 -21.569 25.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.420 -22.889 24.678 1.00 0.00 H new ATOM 429 N HIS A 49 -9.697 -22.442 29.888 1.00 0.00 N ATOM 430 CA HIS A 49 -10.044 -22.966 31.204 1.00 0.00 C ATOM 431 C HIS A 49 -8.978 -22.590 32.228 1.00 0.00 C ATOM 432 O HIS A 49 -9.292 -22.248 33.368 1.00 0.00 O ATOM 433 CB HIS A 49 -10.178 -24.489 31.141 1.00 0.00 C ATOM 434 CG HIS A 49 -11.615 -24.855 30.888 1.00 0.00 C ATOM 435 ND1 HIS A 49 -12.107 -26.127 31.133 1.00 0.00 N ATOM 436 CD2 HIS A 49 -12.677 -24.127 30.412 1.00 0.00 C ATOM 437 CE1 HIS A 49 -13.413 -26.127 30.806 1.00 0.00 C ATOM 438 NE2 HIS A 49 -13.811 -24.933 30.361 1.00 0.00 N ATOM 0 H HIS A 49 -9.542 -23.153 29.174 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.995 -22.530 31.509 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.545 -24.888 30.349 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -9.837 -24.934 32.076 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -12.639 -23.088 30.121 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -14.060 -26.988 30.893 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -14.746 -24.668 30.050 1.00 0.00 H new ATOM 445 N GLU A 50 -7.717 -22.657 31.814 1.00 0.00 N ATOM 446 CA GLU A 50 -6.612 -22.323 32.705 1.00 0.00 C ATOM 447 C GLU A 50 -6.889 -21.013 33.436 1.00 0.00 C ATOM 448 O GLU A 50 -6.761 -19.932 32.863 1.00 0.00 O ATOM 449 CB GLU A 50 -5.314 -22.197 31.904 1.00 0.00 C ATOM 450 CG GLU A 50 -4.902 -23.574 31.380 1.00 0.00 C ATOM 451 CD GLU A 50 -3.647 -23.451 30.523 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.177 -22.338 30.351 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.173 -24.471 30.050 1.00 0.00 O ATOM 0 H GLU A 50 -7.436 -22.937 30.874 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.510 -23.122 33.440 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.453 -21.506 31.072 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.525 -21.784 32.533 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.717 -24.250 32.215 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.712 -24.006 30.793 1.00 0.00 H new ATOM 567 N SER A 57 -0.719 -13.206 34.945 1.00 0.00 N ATOM 568 CA SER A 57 0.315 -13.361 33.928 1.00 0.00 C ATOM 569 C SER A 57 0.596 -14.838 33.670 1.00 0.00 C ATOM 570 O SER A 57 0.872 -15.239 32.540 1.00 0.00 O ATOM 571 CB SER A 57 1.599 -12.666 34.380 1.00 0.00 C ATOM 572 OG SER A 57 2.682 -13.111 33.573 1.00 0.00 O ATOM 0 HA SER A 57 -0.039 -12.904 33.004 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.489 -11.585 34.298 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.797 -12.888 35.429 1.00 0.00 H new ATOM 0 HG SER A 57 3.507 -12.666 33.859 1.00 0.00 H new ATOM 578 N GLU A 58 0.553 -15.647 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 0.132 -17.636 33.355 1.00 0.00 C ATOM 581 O GLU A 58 0.573 -18.631 32.779 1.00 0.00 O ATOM 582 CB GLU A 58 0.369 -17.822 35.832 1.00 0.00 C ATOM 583 CG GLU A 58 0.743 -19.300 35.708 1.00 0.00 C ATOM 584 CD GLU A 58 0.399 -20.035 36.999 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.280 -19.451 37.827 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.821 -21.171 37.141 1.00 0.00 O ATOM 0 H GLU A 58 0.329 -15.346 35.675 1.00 0.00 H new ATOM 0 HA GLU A 58 1.911 -17.197 34.464 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.830 -17.393 36.721 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.710 -17.718 35.951 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.209 -19.750 34.871 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.808 -19.398 35.497 1.00 0.00 H new ATOM 593 N PHE A 59 -0.963 -16.996 32.958 1.00 0.00 N ATOM 594 CA PHE A 59 -1.719 -17.445 31.795 1.00 0.00 C ATOM 595 C PHE A 59 -1.043 -16.987 30.507 1.00 0.00 C ATOM 596 O PHE A 59 -0.536 -17.803 29.737 1.00 0.00 O ATOM 597 CB PHE A 59 -3.143 -16.889 31.852 1.00 0.00 C ATOM 598 CG PHE A 59 -3.856 -17.195 30.557 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.069 -18.524 30.172 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.304 -16.149 29.740 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.730 -18.807 28.970 1.00 0.00 C ATOM 602 CE2 PHE A 59 -4.964 -16.433 28.539 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.178 -17.762 28.154 1.00 0.00 C ATOM 0 H PHE A 59 -1.344 -16.171 33.421 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.754 -18.534 31.806 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.683 -17.330 32.690 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.118 -15.812 32.020 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.724 -19.331 30.802 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.140 -15.124 30.037 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.894 -19.832 28.673 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.308 -15.626 27.909 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.689 -17.981 27.228 1.00 0.00 H new ATOM 613 N TYR A 60 -1.040 -15.678 30.279 1.00 0.00 N ATOM 614 CA TYR A 60 -0.423 -15.122 29.080 1.00 0.00 C ATOM 615 C TYR A 60 1.038 -15.549 28.982 1.00 0.00 C ATOM 616 O TYR A 60 1.585 -15.679 27.886 1.00 0.00 O ATOM 617 CB TYR A 60 -0.509 -13.595 29.108 1.00 0.00 C ATOM 618 CG TYR A 60 -1.939 -13.175 29.348 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.374 -12.880 30.645 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.830 -13.080 28.272 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.700 -12.491 30.867 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.156 -12.690 28.494 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.592 -12.396 29.792 1.00 0.00 C ATOM 624 OH TYR A 60 -5.899 -12.011 30.010 1.00 0.00 O ATOM 0 H TYR A 60 -1.455 -14.986 30.904 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.960 -15.500 28.210 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.134 -13.198 29.893 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.151 -13.183 28.165 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.686 -12.953 31.475 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.494 -13.308 27.271 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.035 -12.264 31.868 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.843 -12.616 27.664 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.382 -11.995 29.157 1.00 0.00 H new ATOM 634 N ALA A 61 1.665 -15.767 30.134 1.00 0.00 N ATOM 635 CA ALA A 61 3.063 -16.179 30.165 1.00 0.00 C ATOM 636 C ALA A 61 3.217 -17.597 29.625 1.00 0.00 C ATOM 637 O ALA A 61 4.305 -18.000 29.215 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 -15.666 31.051 1.00 0.00 H new ATOM 0 HA ALA A 61 3.636 -15.499 29.535 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.639 -16.426 31.614 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.512 -15.097 31.973 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.009 -16.784 32.233 1.00 0.00 H new ATOM 644 N LYS A 62 2.121 -18.349 29.628 1.00 0.00 N ATOM 645 CA LYS A 62 2.147 -19.721 29.136 1.00 0.00 C ATOM 646 C LYS A 62 1.781 -19.767 27.656 1.00 0.00 C ATOM 647 O LYS A 62 2.316 -20.578 26.899 1.00 0.00 O ATOM 648 CB LYS A 62 1.164 -20.580 29.933 1.00 0.00 C ATOM 649 CG LYS A 62 1.612 -22.043 29.891 1.00 0.00 C ATOM 650 CD LYS A 62 0.700 -22.883 30.787 1.00 0.00 C ATOM 651 CE LYS A 62 1.093 -22.678 32.251 1.00 0.00 C ATOM 652 NZ LYS A 62 0.453 -23.731 33.089 1.00 0.00 N ATOM 0 H LYS A 62 1.210 -18.034 29.963 1.00 0.00 H new ATOM 0 HA LYS A 62 3.156 -20.113 29.261 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.116 -20.233 30.965 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.161 -20.484 29.517 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.577 -22.416 28.867 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.646 -22.127 30.226 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.341 -22.596 30.635 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.782 -23.937 30.522 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.177 -22.722 32.357 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.780 -21.690 32.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.720 -23.592 34.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.581 -23.668 32.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.773 -24.669 32.772 1.00 0.00 H new ATOM 666 N ILE A 63 0.867 -18.892 27.250 1.00 0.00 N ATOM 667 CA ILE A 63 0.437 -18.842 25.857 1.00 0.00 C ATOM 668 C ILE A 63 1.608 -18.486 24.947 1.00 0.00 C ATOM 669 O ILE A 63 1.837 -19.139 23.929 1.00 0.00 O ATOM 670 CB ILE A 63 -0.675 -17.806 25.691 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.896 -18.234 26.507 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.061 -17.703 24.214 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.364 -19.614 26.041 1.00 0.00 C ATOM 0 H ILE A 63 0.413 -18.213 27.860 1.00 0.00 H new ATOM 0 HA ILE A 63 0.061 -19.826 25.577 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.323 -16.836 26.043 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.646 -18.262 27.568 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.699 -17.507 26.388 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.854 -16.964 24.096 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.192 -17.399 23.631 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.413 -18.673 23.861 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.234 -19.919 26.623 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.631 -19.570 24.985 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.561 -20.338 26.183 1.00 0.00 H new ATOM 685 N ALA A 64 2.346 -17.445 25.320 1.00 0.00 N ATOM 686 CA ALA A 64 3.491 -17.010 24.529 1.00 0.00 C ATOM 687 C ALA A 64 4.595 -18.063 24.559 1.00 0.00 C ATOM 688 O ALA A 64 5.514 -18.036 23.740 1.00 0.00 O ATOM 689 CB ALA A 64 4.031 -15.687 25.075 1.00 0.00 C ATOM 0 H ALA A 64 2.173 -16.891 26.159 1.00 0.00 H new ATOM 0 HA ALA A 64 3.164 -16.871 23.498 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.886 -15.369 24.478 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.251 -14.927 25.025 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.341 -15.821 26.111 1.00 0.00 H new ATOM 695 N ARG A 65 4.496 -18.990 25.506 1.00 0.00 N ATOM 696 CA ARG A 65 5.493 -20.047 25.633 1.00 0.00 C ATOM 697 C ARG A 65 5.188 -21.189 24.668 1.00 0.00 C ATOM 698 O ARG A 65 6.080 -21.691 23.985 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 6.616 -21.627 27.210 1.00 0.00 C ATOM 701 CD ARG A 65 6.618 -22.177 28.637 1.00 0.00 C ATOM 702 NE ARG A 65 7.025 -21.139 29.577 1.00 0.00 N ATOM 703 CZ ARG A 65 7.086 -21.380 30.883 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.453 -20.435 31.704 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.778 -22.562 31.343 1.00 0.00 N ATOM 0 H ARG A 65 3.742 -19.031 26.192 1.00 0.00 H new ATOM 0 HA ARG A 65 6.470 -19.631 25.389 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.679 -19.761 27.767 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.545 -21.018 27.315 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.458 -22.437 26.497 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.584 -21.183 26.979 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.624 -22.542 28.895 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.297 -23.027 28.706 1.00 0.00 H new ATOM 0 HE ARG A 65 7.267 -20.212 29.226 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.693 -19.511 31.344 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.500 -20.620 32.706 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.491 -23.300 30.701 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.825 -22.747 32.345 1.00 0.00 H new ATOM 719 N ILE A 66 3.923 -21.594 24.619 1.00 0.00 N ATOM 720 CA ILE A 66 3.513 -22.679 23.735 1.00 0.00 C ATOM 721 C ILE A 66 3.262 -22.154 22.325 1.00 0.00 C ATOM 722 O ILE A 66 3.247 -22.920 21.361 1.00 0.00 O ATOM 723 CB ILE A 66 2.240 -23.336 24.271 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.545 -24.022 25.605 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.740 -24.376 23.267 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.235 -24.446 26.272 1.00 0.00 C ATOM 0 H ILE A 66 3.170 -21.191 25.176 1.00 0.00 H new ATOM 0 HA ILE A 66 4.315 -23.417 23.699 1.00 0.00 H new ATOM 0 HB ILE A 66 1.473 -22.576 24.418 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.181 -24.892 25.442 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.095 -23.344 26.258 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.833 -24.844 23.649 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.524 -23.889 22.316 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.506 -25.137 23.119 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.452 -24.935 27.222 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.616 -23.567 26.449 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.703 -25.139 25.621 1.00 0.00 H new ATOM 738 N GLY A 67 3.064 -20.845 22.212 1.00 0.00 N ATOM 739 CA GLY A 67 2.814 -20.229 20.914 1.00 0.00 C ATOM 740 C GLY A 67 4.109 -20.079 20.123 1.00 0.00 C ATOM 741 O GLY A 67 4.087 -19.866 18.911 1.00 0.00 O ATOM 0 H GLY A 67 3.072 -20.194 22.997 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.107 -20.836 20.349 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.354 -19.251 21.054 1.00 0.00 H new ATOM 745 N TYR A 68 5.237 -20.193 20.817 1.00 0.00 N ATOM 746 CA TYR A 68 6.537 -20.068 20.169 1.00 0.00 C ATOM 747 C TYR A 68 7.286 -21.396 20.209 1.00 0.00 C ATOM 748 O TYR A 68 8.351 -21.538 19.609 1.00 0.00 O ATOM 749 CB TYR A 68 7.368 -18.990 20.867 1.00 0.00 C ATOM 750 CG TYR A 68 8.762 -18.974 20.288 1.00 0.00 C ATOM 751 CD1 TYR A 68 8.989 -18.413 19.025 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.828 -19.520 21.013 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.282 -18.398 18.488 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.121 -19.505 20.476 1.00 0.00 C ATOM 755 CZ TYR A 68 11.348 -18.944 19.213 1.00 0.00 C ATOM 756 OH TYR A 68 12.622 -18.929 18.683 1.00 0.00 O ATOM 0 H TYR A 68 5.277 -20.370 21.821 1.00 0.00 H new ATOM 0 HA TYR A 68 6.377 -19.785 19.129 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.899 -18.015 20.739 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.410 -19.185 21.939 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.167 -17.992 18.465 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.653 -19.953 21.987 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.457 -17.965 17.514 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.943 -19.926 21.036 1.00 0.00 H new ATOM 0 HH TYR A 68 13.244 -19.346 19.315 1.00 0.00 H new ATOM 766 N GLU A 69 6.722 -22.366 20.922 1.00 0.00 N ATOM 767 CA GLU A 69 7.346 -23.680 21.034 1.00 0.00 C ATOM 768 C GLU A 69 6.541 -24.723 20.265 1.00 0.00 C ATOM 769 O GLU A 69 6.858 -25.912 20.296 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 8.445 -23.183 23.223 1.00 0.00 C ATOM 772 CD GLU A 69 8.482 -23.522 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 9.224 -22.871 25.426 1.00 0.00 O ATOM 0 H GLU A 69 5.841 -22.269 21.427 1.00 0.00 H new ATOM 0 HA GLU A 69 8.347 -23.623 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 22.584 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.437 -23.308 22.788 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.166 -22.138 23.087 1.00 0.00 H new ATOM 781 N ASP A 70 5.499 -24.269 19.576 1.00 0.00 N ATOM 782 CA ASP A 70 4.655 -25.172 18.803 1.00 0.00 C ATOM 783 C ASP A 70 4.189 -24.500 17.516 1.00 0.00 C ATOM 784 O ASP A 70 4.245 -25.093 16.439 1.00 0.00 O ATOM 785 CB ASP A 70 3.439 -25.590 19.632 1.00 0.00 C ATOM 786 CG ASP A 70 3.861 -26.575 20.717 1.00 0.00 C ATOM 787 OD1 ASP A 70 4.946 -27.123 20.602 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.094 -26.768 21.646 1.00 0.00 O ATOM 0 H ASP A 70 5.220 -23.289 19.537 1.00 0.00 H new ATOM 0 HA ASP A 70 5.240 -26.055 18.547 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.979 -24.712 20.085 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.688 -26.046 18.987 1.00 0.00 H new ATOM 793 N GLU A 71 3.729 -23.259 17.636 1.00 0.00 N ATOM 794 CA GLU A 71 3.255 -22.515 16.474 1.00 0.00 C ATOM 795 C GLU A 71 4.418 -21.828 15.767 1.00 0.00 C ATOM 796 O GLU A 71 4.326 -21.487 14.587 1.00 0.00 O ATOM 797 CB GLU A 71 2.228 -21.467 16.908 1.00 0.00 C ATOM 798 CG GLU A 71 1.048 -22.160 17.591 1.00 0.00 C ATOM 799 CD GLU A 71 0.293 -23.018 16.581 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.603 -22.926 15.405 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.584 -23.756 17.000 1.00 0.00 O ATOM 0 H GLU A 71 3.674 -22.750 18.518 1.00 0.00 H new ATOM 0 HA GLU A 71 2.788 -23.216 15.783 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.688 -20.752 17.590 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.881 -20.903 16.042 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.406 -22.781 18.413 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.378 -21.416 18.022 1.00 0.00 H new ATOM 808 N GLY A 72 5.512 -21.628 16.495 1.00 0.00 N ATOM 809 CA GLY A 72 6.690 -20.984 15.924 1.00 0.00 C ATOM 810 C GLY A 72 6.311 -19.696 15.203 1.00 0.00 C ATOM 811 O GLY A 72 5.803 -19.727 14.082 1.00 0.00 O ATOM 0 H GLY A 72 5.608 -21.900 17.473 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.408 -20.765 16.714 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.180 -21.665 15.227 1.00 0.00 H new ATOM 893 N GLU A 78 5.568 -11.587 28.075 1.00 0.00 N ATOM 894 CA GLU A 78 4.339 -11.531 28.857 1.00 0.00 C ATOM 895 C GLU A 78 3.504 -10.318 28.457 1.00 0.00 C ATOM 896 O GLU A 78 2.337 -10.451 28.088 1.00 0.00 O ATOM 897 CB GLU A 78 4.671 -11.454 30.348 1.00 0.00 C ATOM 898 CG GLU A 78 6.032 -10.780 30.534 1.00 0.00 C ATOM 899 CD GLU A 78 6.317 -10.581 32.019 1.00 0.00 C ATOM 900 OE1 GLU A 78 5.973 -11.461 32.791 1.00 0.00 O ATOM 901 OE2 GLU A 78 6.876 -9.553 32.362 1.00 0.00 O ATOM 0 HA GLU A 78 3.764 -12.436 28.659 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.900 -10.892 30.874 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.687 -12.455 30.780 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.814 -11.391 30.084 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.044 -9.818 30.021 1.00 0.00 H new ATOM 908 N SER A 79 4.102 -9.136 28.536 1.00 0.00 N ATOM 909 CA SER A 79 3.401 -7.906 28.185 1.00 0.00 C ATOM 910 C SER A 79 2.828 -8.000 26.774 1.00 0.00 C ATOM 911 O SER A 79 1.638 -7.770 26.561 1.00 0.00 O ATOM 912 CB SER A 79 4.358 -6.717 28.271 1.00 0.00 C ATOM 913 OG SER A 79 3.653 -5.523 27.956 1.00 0.00 O ATOM 0 H SER A 79 5.067 -9.002 28.839 1.00 0.00 H new ATOM 0 HA SER A 79 2.581 -7.763 28.889 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.783 -6.649 29.273 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.190 -6.855 27.581 1.00 0.00 H new ATOM 0 HG SER A 79 4.263 -4.758 28.012 1.00 0.00 H new ATOM 919 N ALA A 80 3.683 -8.338 25.815 1.00 0.00 N ATOM 920 CA ALA A 80 3.251 -8.459 24.427 1.00 0.00 C ATOM 921 C ALA A 80 2.108 -9.462 24.308 1.00 0.00 C ATOM 922 O ALA A 80 1.275 -9.364 23.406 1.00 0.00 O ATOM 923 CB ALA A 80 4.422 -8.910 23.553 1.00 0.00 C ATOM 0 H ALA A 80 4.672 -8.532 25.971 1.00 0.00 H new ATOM 0 HA ALA A 80 2.901 -7.484 24.088 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.091 -8.998 22.518 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.226 -8.177 23.616 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.785 -9.877 23.901 1.00 0.00 H new ATOM 929 N CYS A 81 2.074 -10.425 25.222 1.00 0.00 N ATOM 930 CA CYS A 81 1.028 -11.441 25.209 1.00 0.00 C ATOM 931 C CYS A 81 -0.304 -10.845 25.653 1.00 0.00 C ATOM 932 O CYS A 81 -1.350 -11.485 25.540 1.00 0.00 O ATOM 933 CB CYS A 81 1.408 -12.594 26.140 1.00 0.00 C ATOM 934 SG CYS A 81 3.156 -13.004 25.911 1.00 0.00 S ATOM 0 H CYS A 81 2.753 -10.524 25.976 1.00 0.00 H new ATOM 0 HA CYS A 81 0.924 -11.815 24.191 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.222 -12.315 27.177 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.788 -13.465 25.929 1.00 0.00 H new ATOM 0 HG CYS A 81 3.404 -13.154 24.644 1.00 0.00 H new ATOM 940 N ARG A 82 -0.258 -9.616 26.156 1.00 0.00 N ATOM 941 CA ARG A 82 -1.469 -8.943 26.614 1.00 0.00 C ATOM 942 C ARG A 82 -1.886 -7.860 25.624 1.00 0.00 C ATOM 943 O ARG A 82 -3.053 -7.473 25.568 1.00 0.00 O ATOM 944 CB ARG A 82 -1.230 -8.316 27.989 1.00 0.00 C ATOM 945 CG ARG A 82 -1.045 -9.422 29.029 1.00 0.00 C ATOM 946 CD ARG A 82 -0.803 -8.796 30.403 1.00 0.00 C ATOM 947 NE ARG A 82 0.491 -8.124 30.431 1.00 0.00 N ATOM 948 CZ ARG A 82 0.910 -7.483 31.517 1.00 0.00 C ATOM 949 NH1 ARG A 82 2.072 -6.890 31.517 1.00 0.00 N ATOM 950 NH2 ARG A 82 0.159 -7.448 32.584 1.00 0.00 N ATOM 0 H ARG A 82 0.597 -9.069 26.257 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.268 -9.681 26.686 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.347 -7.677 27.961 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.073 -7.682 28.263 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.929 -10.059 29.059 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.203 -10.057 28.754 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.596 -8.083 30.630 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.837 -9.567 31.173 1.00 0.00 H new ATOM 0 HE ARG A 82 1.085 -8.146 29.602 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.659 -6.918 30.683 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.393 -6.398 32.351 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.749 -7.913 32.584 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.480 -6.956 33.418 1.00 0.00 H new ATOM 964 N ASN A 83 -0.924 -7.374 24.846 1.00 0.00 N ATOM 965 CA ASN A 83 -1.204 -6.334 23.862 1.00 0.00 C ATOM 966 C ASN A 83 -1.684 -6.951 22.552 1.00 0.00 C ATOM 967 O ASN A 83 -2.668 -6.499 21.966 1.00 0.00 O ATOM 968 CB ASN A 83 0.056 -5.505 23.606 1.00 0.00 C ATOM 969 CG ASN A 83 0.576 -4.929 24.918 1.00 0.00 C ATOM 970 OD1 ASN A 83 -0.204 -4.438 25.734 1.00 0.00 O ATOM 971 ND2 ASN A 83 1.856 -4.958 25.171 1.00 0.00 N ATOM 0 H ASN A 83 0.048 -7.680 24.877 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.989 -5.689 24.256 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.822 -6.127 23.143 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.165 -4.698 22.907 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.212 -4.573 26.046 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.501 -5.365 24.494 1.00 0.00 H new ATOM 978 N GLN A 84 -0.983 -7.986 22.099 1.00 0.00 N ATOM 979 CA GLN A 84 -1.347 -8.657 20.857 1.00 0.00 C ATOM 980 C GLN A 84 -2.781 -9.174 20.926 1.00 0.00 C ATOM 981 O GLN A 84 -3.639 -8.759 20.147 1.00 0.00 O ATOM 982 CB GLN A 84 -0.394 -9.825 20.595 1.00 0.00 C ATOM 983 CG GLN A 84 -0.524 -10.852 21.721 1.00 0.00 C ATOM 984 CD GLN A 84 0.713 -11.743 21.759 1.00 0.00 C ATOM 985 OE1 GLN A 84 0.628 -12.937 21.469 1.00 0.00 O ATOM 986 NE2 GLN A 84 1.864 -11.232 22.100 1.00 0.00 N ATOM 0 H GLN A 84 -0.166 -8.375 22.569 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.272 -7.937 20.042 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.626 -10.289 19.636 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.633 -9.464 20.534 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.645 -10.343 22.677 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.416 -11.460 21.569 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.932 -10.243 22.340 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.696 -11.822 22.127 1.00 0.00 H new ATOM 995 N ILE A 85 -3.032 -10.081 21.864 1.00 0.00 N ATOM 996 CA ILE A 85 -4.366 -10.649 22.025 1.00 0.00 C ATOM 997 C ILE A 85 -5.401 -9.544 22.212 1.00 0.00 C ATOM 998 O ILE A 85 -6.510 -9.623 21.684 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 -3.847 -12.955 22.831 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.831 -11.735 23.733 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.405 -13.719 24.081 1.00 0.00 C ATOM 0 H ILE A 85 -2.336 -10.436 22.519 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.611 -11.212 21.125 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.775 -11.167 24.032 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.613 -13.520 22.299 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.006 -12.836 22.148 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.850 -12.401 24.596 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.221 -10.758 24.020 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.448 -12.153 22.938 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.017 -14.696 23.792 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.626 -13.156 24.595 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.257 -13.850 24.748 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.030 -8.514 22.966 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.936 -7.398 23.216 1.00 0.00 C ATOM 1016 C ILE A 86 -6.271 -6.677 21.914 1.00 0.00 C ATOM 1017 O ILE A 86 -7.429 -6.349 21.656 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.293 -6.414 24.195 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.858 -6.651 25.598 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.603 -4.982 23.758 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.582 -5.427 26.473 1.00 0.00 C ATOM 0 H ILE A 86 -4.116 -8.429 23.411 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.857 -7.791 23.647 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.214 -6.565 24.205 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.931 -6.837 25.543 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.403 -7.537 26.040 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.145 -4.281 24.456 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.203 -4.812 22.758 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.682 -4.830 23.748 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.984 -5.596 27.472 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.507 -5.261 26.538 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.058 -4.551 26.033 1.00 0.00 H new ATOM 1033 N SER A 87 -5.250 -6.433 21.099 1.00 0.00 N ATOM 1034 CA SER A 87 -5.449 -5.749 19.826 1.00 0.00 C ATOM 1035 C SER A 87 -6.448 -6.508 18.959 1.00 0.00 C ATOM 1036 O SER A 87 -7.350 -5.914 18.368 1.00 0.00 O ATOM 1037 CB SER A 87 -4.117 -5.628 19.086 1.00 0.00 C ATOM 1038 OG SER A 87 -4.367 -5.351 17.714 1.00 0.00 O ATOM 0 H SER A 87 -4.284 -6.696 21.295 1.00 0.00 H new ATOM 0 HA SER A 87 -5.845 -4.754 20.028 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.514 -4.833 19.526 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.547 -6.552 19.185 1.00 0.00 H new ATOM 0 HG SER A 87 -3.515 -5.271 17.236 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.282 -7.825 18.887 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.175 -8.656 18.088 1.00 0.00 C ATOM 1046 C ILE A 88 -8.625 -8.446 18.512 1.00 0.00 C ATOM 1047 O ILE A 88 -9.544 -8.578 17.703 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.802 -10.130 18.251 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.418 -10.375 17.645 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.834 -11.001 17.532 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.937 -11.778 18.019 1.00 0.00 C ATOM 0 H ILE A 88 -5.543 -8.337 19.369 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.069 -8.368 17.042 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.786 -10.386 19.311 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.461 -10.271 16.561 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.713 -9.628 18.009 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.568 -12.052 17.648 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.820 -10.827 17.962 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.850 -10.746 16.472 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.951 -11.952 17.587 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.878 -11.865 19.104 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.638 -12.518 17.633 1.00 0.00 H new ATOM 1063 N MET A 89 -8.823 -8.120 19.785 1.00 0.00 N ATOM 1064 CA MET A 89 -10.167 -7.895 20.305 1.00 0.00 C ATOM 1065 C MET A 89 -10.771 -6.630 19.704 1.00 0.00 C ATOM 1066 O MET A 89 -11.870 -6.658 19.150 1.00 0.00 O ATOM 1067 CB MET A 89 -10.122 -7.767 21.829 1.00 0.00 C ATOM 1068 CG MET A 89 -9.896 -9.146 22.452 1.00 0.00 C ATOM 1069 SD MET A 89 -11.329 -10.201 22.118 1.00 0.00 S ATOM 1070 CE MET A 89 -12.479 -9.386 23.253 1.00 0.00 C ATOM 0 H MET A 89 -8.077 -8.006 20.471 1.00 0.00 H new ATOM 0 HA MET A 89 -10.790 -8.746 20.030 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.322 -7.088 22.124 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.055 -7.339 22.196 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.994 -9.599 22.041 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.744 -9.051 23.527 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.245 -10.095 23.567 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.935 -9.029 24.128 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.951 -8.542 22.749 1.00 0.00 H new ATOM 1080 N ARG A 90 -10.045 -5.523 19.817 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.520 -4.252 19.281 1.00 0.00 C ATOM 1082 C ARG A 90 -11.021 -4.427 17.851 1.00 0.00 C ATOM 1083 O ARG A 90 -12.053 -3.872 17.473 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.390 -3.221 19.305 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.870 -1.923 18.653 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.776 -0.860 18.765 1.00 0.00 C ATOM 1087 NE ARG A 90 -7.597 -1.268 18.009 1.00 0.00 N ATOM 1088 CZ ARG A 90 -7.473 -0.974 16.719 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.408 -1.350 16.064 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -8.415 -0.311 16.107 1.00 0.00 N ATOM 0 H ARG A 90 -9.133 -5.479 20.271 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.345 -3.902 19.902 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.078 -3.031 20.332 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.520 -3.607 18.774 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.115 -2.099 17.606 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.781 -1.575 19.139 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.146 0.094 18.389 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.511 -0.709 19.812 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.855 -1.788 18.478 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.672 -1.869 16.542 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.312 -1.125 15.074 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.247 -0.018 16.619 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.319 -0.086 15.117 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.284 -5.200 17.060 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.664 -5.440 15.673 1.00 0.00 C ATOM 1106 C VAL A 91 -11.918 -6.305 15.601 1.00 0.00 C ATOM 1107 O VAL A 91 -12.788 -6.086 14.759 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.520 -6.133 14.931 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -9.778 -6.075 13.425 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -8.203 -5.422 15.249 1.00 0.00 C ATOM 0 H VAL A 91 -9.426 -5.668 17.353 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.873 -4.479 15.203 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.459 -7.174 15.249 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.962 -6.569 12.897 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.717 -6.580 13.197 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.839 -5.034 13.106 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.387 -5.915 14.721 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.265 -4.381 14.931 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.018 -5.463 16.322 1.00 0.00 H new ATOM 1120 N TYR A 92 -12.003 -7.290 16.490 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.155 -8.183 16.518 1.00 0.00 C ATOM 1122 C TYR A 92 -14.425 -7.410 16.859 1.00 0.00 C ATOM 1123 O TYR A 92 -15.484 -7.649 16.278 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.935 -9.288 17.552 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.191 -10.116 17.681 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.519 -11.049 16.691 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -15.028 -9.949 18.791 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.685 -11.816 16.811 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.193 -10.716 18.910 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.522 -11.649 17.920 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.670 -12.405 18.038 1.00 0.00 O ATOM 0 H TYR A 92 -11.293 -7.489 17.195 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.269 -8.628 15.530 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.099 -9.920 17.252 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.674 -8.852 18.516 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.873 -11.178 15.835 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.775 -9.229 19.555 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.938 -12.537 16.047 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.838 -10.588 19.766 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.136 -12.165 18.866 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.312 -6.484 17.805 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.458 -5.682 18.216 1.00 0.00 C ATOM 1143 C GLU A 93 -15.794 -4.641 17.153 1.00 0.00 C ATOM 1144 O GLU A 93 -16.962 -4.336 16.915 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.157 -4.980 19.542 1.00 0.00 C ATOM 1146 CG GLU A 93 -14.991 -6.026 20.646 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.302 -6.776 20.855 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.328 -6.263 20.440 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 -13.445 -6.271 18.298 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.314 -6.345 18.342 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.249 -4.383 19.452 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.966 -4.294 19.795 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.200 -6.727 20.378 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.687 -5.542 21.574 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.761 -4.098 16.516 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.958 -3.092 15.479 1.00 0.00 C ATOM 1158 C GLN A 94 -15.684 -3.692 14.280 1.00 0.00 C ATOM 1159 O GLN A 94 -16.716 -3.179 13.846 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.607 -2.530 15.032 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.132 -1.480 16.038 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.735 -0.996 15.666 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -11.260 0.005 16.203 1.00 0.00 O ATOM 1164 NE2 GLN A 94 -11.044 -1.651 14.773 1.00 0.00 N ATOM 0 H GLN A 94 -13.786 -4.336 16.698 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.567 -2.288 15.892 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.874 -3.333 14.956 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.696 -2.085 14.041 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.825 -0.639 16.053 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.124 -1.904 17.042 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.440 -2.480 14.329 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.108 -1.334 14.519 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.138 -4.780 13.747 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.743 -5.441 12.597 1.00 0.00 C ATOM 1175 C ARG A 95 -17.045 -6.127 12.996 1.00 0.00 C ATOM 1176 O ARG A 95 -17.801 -6.591 12.142 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.775 -6.477 12.021 1.00 0.00 C ATOM 1178 CG ARG A 95 -13.779 -5.782 11.090 1.00 0.00 C ATOM 1179 CD ARG A 95 -14.390 -5.651 9.694 1.00 0.00 C ATOM 1180 NE ARG A 95 -13.416 -5.087 8.767 1.00 0.00 N ATOM 1181 CZ ARG A 95 -13.352 -3.777 8.552 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -12.472 -3.295 7.718 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -14.169 -2.972 9.175 1.00 0.00 N ATOM 0 H ARG A 95 -14.284 -5.220 14.090 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.960 -4.686 11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -14.244 -6.982 12.828 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -15.327 -7.242 11.475 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -13.526 -4.797 11.481 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -12.852 -6.353 11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -14.716 -6.629 9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -15.274 -5.015 9.735 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.773 -5.708 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.833 -3.924 7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.423 -2.290 7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.857 -3.348 9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.119 -1.967 9.010 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.302 -6.187 14.299 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.517 -6.820 14.799 1.00 0.00 C ATOM 1199 C LEU A 96 -19.697 -5.856 14.714 1.00 0.00 C ATOM 1200 O LEU A 96 -20.829 -6.267 14.461 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.318 -7.258 16.251 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.638 -7.790 16.810 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.153 -8.920 15.917 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.413 -8.324 18.226 1.00 0.00 C ATOM 0 H LEU A 96 -16.691 -5.808 15.022 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.730 -7.693 14.182 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.550 -8.030 16.307 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.970 -6.417 16.851 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.372 -6.984 16.836 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.094 -9.299 16.316 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 -19.419 -9.726 15.890 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.353 -8.703 18.625 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.679 -9.129 18.199 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.046 -7.520 18.864 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.423 -4.573 14.927 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.470 -3.560 14.872 1.00 0.00 C ATOM 1218 C ALA A 97 -20.724 -3.129 13.431 1.00 0.00 C ATOM 1219 O ALA A 97 -21.831 -2.720 13.082 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 -18.492 -4.212 15.138 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.386 -3.989 15.277 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.851 -1.592 15.661 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.913 -2.648 16.743 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.138 -1.925 15.313 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.691 -3.223 12.600 1.00 0.00 N ATOM 1227 CA HIS A 98 -19.811 -2.829 11.201 1.00 0.00 C ATOM 1228 C HIS A 98 -20.647 -3.845 10.428 1.00 0.00 C ATOM 1229 O HIS A 98 -20.352 -5.040 10.436 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.423 -2.721 10.568 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.664 -1.593 11.213 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -16.316 -1.379 10.977 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -18.052 -0.609 12.089 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -15.943 -0.304 11.695 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -16.964 0.203 12.392 1.00 0.00 N ATOM 0 H HIS A 98 -18.768 -3.566 12.868 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.306 -1.859 11.157 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -17.880 -3.658 10.694 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.513 -2.547 9.496 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -19.050 -0.485 12.483 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -14.941 0.100 11.707 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -16.949 1.012 13.013 1.00 0.00 H new ATOM 1343 N THR A 105 -17.649 -13.075 2.432 1.00 0.00 N ATOM 1344 CA THR A 105 -17.334 -13.933 3.569 1.00 0.00 C ATOM 1345 C THR A 105 -16.171 -14.861 3.233 1.00 0.00 C ATOM 1346 O THR A 105 -15.897 -15.132 2.064 1.00 0.00 O ATOM 1347 CB THR A 105 -18.560 -14.766 3.951 1.00 0.00 C ATOM 1348 OG1 THR A 105 -18.883 -15.646 2.883 1.00 0.00 O ATOM 1349 CG2 THR A 105 -19.744 -13.838 4.226 1.00 0.00 C ATOM 0 HA THR A 105 -17.049 -13.300 4.410 1.00 0.00 H new ATOM 0 HB THR A 105 -18.341 -15.346 4.847 1.00 0.00 H new ATOM 0 HG1 THR A 105 -18.759 -15.183 2.028 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.616 -14.432 4.498 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.495 -13.163 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 105 -19.966 -13.256 3.331 1.00 0.00 H new ATOM 1357 N THR A 106 -15.489 -15.345 4.267 1.00 0.00 N ATOM 1358 CA THR A 106 -14.356 -16.242 4.069 1.00 0.00 C ATOM 1359 C THR A 106 -14.238 -17.220 5.234 1.00 0.00 C ATOM 1360 O THR A 106 -14.767 -16.978 6.319 1.00 0.00 O ATOM 1361 CB THR A 106 -13.063 -15.432 3.947 1.00 0.00 C ATOM 1362 OG1 THR A 106 -13.250 -14.154 4.539 1.00 0.00 O ATOM 1363 CG2 THR A 106 -12.701 -15.266 2.471 1.00 0.00 C ATOM 0 H THR A 106 -15.699 -15.133 5.242 1.00 0.00 H new ATOM 0 HA THR A 106 -14.519 -16.806 3.150 1.00 0.00 H new ATOM 0 HB THR A 106 -12.255 -15.955 4.459 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.578 -13.525 3.863 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.780 -14.689 2.385 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.558 -16.247 2.019 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.506 -14.743 1.955 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.573 -18.331 5.023 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.391 -19.380 6.067 1.00 0.00 C ATOM 1373 C PRO A 107 -12.402 -18.950 7.147 1.00 0.00 C ATOM 1374 O PRO A 107 -12.590 -19.247 8.327 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.858 -20.582 5.285 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.211 -20.009 4.066 1.00 0.00 C ATOM 1377 CD PRO A 107 -12.930 -18.701 3.753 1.00 0.00 C ATOM 0 HA PRO A 107 -14.318 -19.591 6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.142 -21.151 5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.664 -21.265 5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.149 -19.834 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.287 -20.701 3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.232 -17.932 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.664 -18.830 2.958 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.350 -18.250 6.735 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.338 -17.785 7.677 1.00 0.00 C ATOM 1387 C GLU A 108 -10.920 -16.726 8.608 1.00 0.00 C ATOM 1388 O GLU A 108 -10.777 -16.812 9.828 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.147 -17.200 6.916 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.451 -18.309 6.125 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.109 -18.465 4.758 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.109 -17.806 4.525 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.602 -19.241 3.964 1.00 0.00 O ATOM 0 H GLU A 108 -11.176 -17.994 5.763 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.006 -18.634 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.484 -16.414 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.446 -16.742 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.394 -18.073 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.507 -19.249 6.674 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.577 -15.729 8.025 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.176 -14.658 8.813 1.00 0.00 C ATOM 1402 C GLU A 109 -13.273 -15.209 9.719 1.00 0.00 C ATOM 1403 O GLU A 109 -13.483 -14.716 10.827 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.765 -13.593 7.886 1.00 0.00 C ATOM 1405 CG GLU A 109 -14.024 -14.142 7.213 1.00 0.00 C ATOM 1406 CD GLU A 109 -14.662 -13.064 6.343 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -15.880 -12.997 6.314 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -13.924 -12.320 5.719 1.00 0.00 O ATOM 0 H GLU A 109 -11.708 -15.640 7.017 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.399 -14.210 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.006 -12.694 8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.032 -13.307 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.772 -15.010 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.734 -14.478 7.969 1.00 0.00 H new ATOM 1415 N ASP A 110 -13.969 -16.235 9.240 1.00 0.00 N ATOM 1416 CA ASP A 110 -15.042 -16.846 10.015 1.00 0.00 C ATOM 1417 C ASP A 110 -14.482 -17.534 11.256 1.00 0.00 C ATOM 1418 O ASP A 110 -14.995 -17.357 12.361 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.791 -17.867 9.157 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.862 -17.166 8.329 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.241 -16.066 8.695 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.288 -17.740 7.340 1.00 0.00 O ATOM 0 H ASP A 110 -13.811 -16.658 8.325 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.730 -16.061 10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.092 -18.385 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.249 -18.623 9.794 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.426 -18.319 11.065 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.804 -19.029 12.176 1.00 0.00 C ATOM 1429 C GLU A 111 -12.345 -18.047 13.249 1.00 0.00 C ATOM 1430 O GLU A 111 -12.679 -18.197 14.425 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.606 -19.837 11.675 1.00 0.00 C ATOM 1432 CG GLU A 111 -11.002 -20.629 12.836 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.830 -21.470 12.340 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.396 -21.244 11.222 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.384 -22.327 13.085 1.00 0.00 O ATOM 0 H GLU A 111 -12.986 -18.478 10.159 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.541 -19.705 12.609 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 -19.170 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.666 -19.947 13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.760 -21.273 13.281 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.580 -17.043 12.837 1.00 0.00 N ATOM 1443 CA LEU A 112 -11.081 -16.041 13.772 1.00 0.00 C ATOM 1444 C LEU A 112 -12.228 -15.449 14.584 1.00 0.00 C ATOM 1445 O LEU A 112 -12.120 -15.282 15.799 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.363 -14.926 13.010 1.00 0.00 C ATOM 1447 CG LEU A 112 -9.872 -13.866 13.998 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -8.951 -14.518 15.030 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.102 -12.783 13.240 1.00 0.00 C ATOM 0 H LEU A 112 -11.293 -16.901 11.869 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.380 -16.524 14.453 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.521 -15.336 12.452 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.038 -14.475 12.283 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.726 -13.418 14.506 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.601 -13.763 15.734 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.498 -15.291 15.569 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.096 -14.966 14.523 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.751 -12.027 13.942 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.248 -13.231 12.733 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.758 -12.318 12.504 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.326 -15.134 13.905 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.488 -14.560 14.574 1.00 0.00 C ATOM 1463 C ASP A 113 -15.006 -15.507 15.652 1.00 0.00 C ATOM 1464 O ASP A 113 -15.314 -15.085 16.766 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.596 -14.289 13.555 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.376 -12.932 12.895 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.467 -12.233 13.312 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -16.119 -12.612 11.981 1.00 0.00 O ATOM 0 H ASP A 113 -13.436 -15.265 12.899 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.189 -13.622 15.042 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.606 -15.074 12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.568 -14.310 14.048 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.099 -16.789 15.312 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.581 -17.787 16.259 1.00 0.00 C ATOM 1475 C GLN A 114 -14.654 -17.868 17.468 1.00 0.00 C ATOM 1476 O GLN A 114 -15.110 -17.870 18.612 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.659 -19.156 15.581 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.727 -19.124 14.486 1.00 0.00 C ATOM 1479 CD GLN A 114 -18.101 -18.886 15.104 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -18.503 -19.604 16.020 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -18.849 -17.915 14.656 1.00 0.00 N ATOM 0 H GLN A 114 -14.849 -17.159 14.395 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.575 -17.492 16.595 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.691 -19.417 15.152 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.900 -19.924 16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.500 -18.335 13.768 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.724 -20.065 13.936 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.514 -17.322 13.897 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -19.769 -17.750 15.065 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.353 -17.935 17.206 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.371 -18.015 18.282 1.00 0.00 C ATOM 1492 C LEU A 115 -12.501 -16.816 19.215 1.00 0.00 C ATOM 1493 O LEU A 115 -12.440 -16.959 20.437 1.00 0.00 O ATOM 1494 CB LEU A 115 -10.958 -18.058 17.697 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.758 -19.373 16.942 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.424 -19.335 16.194 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.749 -20.535 17.938 1.00 0.00 C ATOM 0 H LEU A 115 -12.956 -17.936 16.266 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.556 -18.926 18.851 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.805 -17.214 17.025 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.220 -17.968 18.494 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.571 -19.509 16.229 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.282 -20.272 15.656 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.428 -18.507 15.485 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.611 -19.199 16.907 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.607 -21.473 17.401 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.936 -20.397 18.650 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.698 -20.563 18.473 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.682 -15.636 18.633 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.821 -14.418 19.423 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 -14.051 -14.079 21.456 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.906 -13.202 18.499 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.244 -12.750 17.942 1.00 0.00 S ATOM 0 H CYS A 116 -12.736 -15.497 17.624 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.947 -14.323 20.067 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.540 -13.427 17.641 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.366 -12.364 19.024 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.329 -12.028 16.864 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.155 -15.002 19.726 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.409 -15.119 20.461 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 -16.677 -15.694 22.777 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 -18.811 -15.804 20.317 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -18.799 -15.566 21.513 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.810 -16.129 19.696 1.00 0.00 O ATOM 0 H ASP A 117 -15.192 -15.344 18.766 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.705 -14.126 20.800 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.629 -15.047 18.680 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.196 -16.670 19.181 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.583 -17.164 21.471 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.353 -18.108 22.558 1.00 0.00 C ATOM 1534 C GLU A 118 -14.496 -17.472 23.647 1.00 0.00 C ATOM 1535 O GLU A 118 -14.802 -17.580 24.834 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.657 -19.361 22.023 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.662 -20.447 23.101 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.212 -21.776 22.503 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.195 -21.881 21.288 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.891 -22.669 23.270 1.00 0.00 O ATOM 0 H GLU A 118 -15.209 -17.456 20.568 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.317 -18.384 22.986 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.167 -19.719 21.129 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.633 -19.126 21.734 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -13.999 -20.163 23.918 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.662 -20.548 23.523 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.421 -16.808 23.234 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.526 -16.157 24.183 1.00 0.00 C ATOM 1549 C TRP A 119 -13.248 -15.027 24.910 1.00 0.00 C ATOM 1550 O TRP A 119 -13.066 -14.832 26.112 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.305 -15.598 23.451 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.504 -14.754 24.390 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.379 -13.409 24.313 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.717 -15.172 25.543 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.566 -12.976 25.344 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.133 -14.025 26.130 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.456 -16.424 26.131 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.318 -14.116 27.260 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.637 -16.518 27.268 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -8.070 -15.366 27.831 1.00 0.00 C ATOM 0 H TRP A 119 -13.150 -16.707 22.256 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.202 -16.897 24.915 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.693 -16.414 23.067 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.622 -15.005 22.593 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -10.839 -12.777 23.568 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.316 -12.000 25.504 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -9.888 -17.318 25.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -7.882 -13.226 27.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.443 -17.483 27.711 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.442 -15.445 28.706 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.068 -14.285 24.172 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.814 -13.177 24.757 1.00 0.00 C ATOM 1573 C LYS A 120 -15.765 -13.683 25.836 1.00 0.00 C ATOM 1574 O LYS A 120 -15.965 -13.028 26.859 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.610 -12.451 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 -17.035 -10.461 23.172 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.701 -9.220 23.769 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.412 -8.472 22.694 1.00 0.00 N ATOM 0 H LYS A 120 -14.232 -14.429 23.176 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.104 -12.485 25.210 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.948 -12.155 22.857 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.358 -13.120 23.246 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.982 -11.519 25.056 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.544 -10.570 24.733 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.343 -10.170 22.381 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.786 -11.106 22.717 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.404 -9.511 24.550 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.952 -8.581 24.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.690 -7.535 23.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.782 -8.359 21.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.261 -8.999 22.408 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.350 -14.853 25.600 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.279 -15.438 26.560 1.00 0.00 C ATOM 1595 C ALA A 121 -16.558 -15.792 27.856 1.00 0.00 C ATOM 1596 O ALA A 121 -17.058 -15.525 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 -16.199 -15.411 24.759 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.056 -14.705 26.779 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.610 -17.128 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 -17.139 -17.423 25.733 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.379 -16.392 27.726 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.597 -16.777 28.895 1.00 0.00 C ATOM 1605 C ARG A 122 -14.261 -15.553 29.740 1.00 0.00 C ATOM 1606 O ARG A 122 -14.346 -15.592 30.968 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.303 -17.466 28.454 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.549 -17.972 29.685 1.00 0.00 C ATOM 1609 CD ARG A 122 -11.137 -17.385 29.696 1.00 0.00 C ATOM 1610 NE ARG A 122 -10.366 -17.944 30.800 1.00 0.00 N ATOM 1611 CZ ARG A 122 -9.162 -17.471 31.107 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -8.492 -17.988 32.100 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -8.650 -16.490 30.414 1.00 0.00 N ATOM 0 H ARG A 122 -14.947 -16.621 26.831 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.190 -17.468 29.495 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.530 -18.297 27.787 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -12.680 -16.769 27.894 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -13.080 -17.686 30.593 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.501 -19.061 29.673 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.639 -17.599 28.750 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.187 -16.300 29.791 1.00 0.00 H new ATOM 0 HE ARG A 122 -10.757 -18.711 31.346 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -8.892 -18.755 32.641 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -7.568 -17.625 32.336 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.174 -16.087 29.637 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -7.726 -16.127 30.649 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.880 -14.467 29.075 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.534 -13.236 29.776 1.00 0.00 C ATOM 1629 C LEU A 123 -14.742 -12.696 30.535 1.00 0.00 C ATOM 1630 O LEU A 123 -14.613 -12.200 31.654 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.044 -12.186 28.777 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.680 -12.602 28.226 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.265 -11.641 27.111 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.642 -12.557 29.349 1.00 0.00 C ATOM 0 H LEU A 123 -13.803 -14.414 28.059 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.739 -13.456 30.489 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.761 -12.082 27.962 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -12.970 -11.213 29.263 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.743 -13.615 27.828 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.292 -11.938 26.718 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -12.004 -11.671 26.311 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.202 -10.628 27.508 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.669 -12.853 28.957 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.580 -11.544 29.747 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.937 -13.241 30.144 1.00 0.00 H new ATOM 1646 N SER A 124 -15.915 -12.796 29.918 1.00 0.00 N ATOM 1647 CA SER A 124 -17.140 -12.315 30.546 1.00 0.00 C ATOM 1648 C SER A 124 -17.509 -13.188 31.740 1.00 0.00 C ATOM 1649 O SER A 124 -17.949 -12.687 32.775 1.00 0.00 O ATOM 1650 CB SER A 124 -18.284 -12.325 29.532 1.00 0.00 C ATOM 1651 OG SER A 124 -19.460 -11.814 30.146 1.00 0.00 O ATOM 0 H SER A 124 -16.043 -13.202 28.991 1.00 0.00 H new ATOM 0 HA SER A 124 -16.972 -11.296 30.894 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.021 -11.721 28.664 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.459 -13.339 29.173 1.00 0.00 H new ATOM 0 HG SER A 124 -20.195 -11.818 29.498 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.325 -14.496 31.590 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.642 -15.430 32.664 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 -15.151 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 -17.738 -17.838 33.326 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.471 -19.271 32.880 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -16.393 -19.519 32.365 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -18.348 -20.100 33.061 1.00 0.00 O ATOM 0 H GLU A 125 -16.961 -14.930 30.742 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.700 -15.332 32.906 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.915 -17.090 31.306 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.296 -16.972 31.968 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.167 -17.617 34.228 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.792 -17.717 33.578 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.545 -14.797 33.706 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.662 -14.473 34.820 1.00 0.00 C ATOM 1674 C LEU A 126 -15.067 -13.147 35.457 1.00 0.00 C ATOM 1675 O LEU A 126 -14.946 -12.967 36.668 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.215 -14.386 34.332 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.745 -15.768 33.878 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.367 -15.651 33.225 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.656 -16.698 35.090 1.00 0.00 C ATOM 0 H LEU A 126 -15.103 -14.759 32.788 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.746 -15.263 35.567 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.140 -13.676 33.508 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.572 -14.016 35.131 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.455 -16.174 33.157 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.033 -16.637 32.902 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.428 -14.988 32.362 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.656 -15.245 33.945 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.321 -17.684 34.768 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.946 -16.291 35.810 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.637 -16.783 35.556 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.549 -12.224 34.631 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.969 -10.917 35.125 1.00 0.00 C ATOM 1693 C GLN A 127 -17.193 -11.053 36.025 1.00 0.00 C ATOM 1694 O GLN A 127 -17.277 -10.416 37.075 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.299 -9.996 33.949 1.00 0.00 C ATOM 1696 CG GLN A 127 -15.002 -9.541 33.277 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.319 -8.731 32.025 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -15.913 -9.253 31.081 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.957 -7.479 31.959 1.00 0.00 N ATOM 0 H GLN A 127 -15.658 -12.354 33.625 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.151 -10.488 35.704 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.930 -10.519 33.230 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.863 -9.131 34.298 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.415 -8.939 33.971 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.395 -10.408 33.015 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -14.465 -7.048 32.742 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -15.166 -6.931 31.124 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.138 -11.889 35.608 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.354 -12.101 36.385 1.00 0.00 C ATOM 1710 C GLN A 128 -19.012 -12.577 37.793 1.00 0.00 C ATOM 1711 O GLN A 128 -19.671 -12.201 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 -20.793 -12.554 34.393 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.619 -13.604 33.659 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -21.822 -14.705 34.171 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -22.111 -13.329 32.482 1.00 0.00 N ATOM 0 H GLN A 128 -18.087 -12.427 34.743 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.890 -11.154 36.453 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.667 -14.042 35.486 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.061 -13.427 36.353 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.409 -11.681 34.609 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.973 -12.217 33.760 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -21.942 -12.416 32.059 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -22.665 -14.027 31.985 1.00 0.00 H new ATOM 1725 N TYR A 129 -17.979 -13.406 37.898 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.553 -13.921 39.194 1.00 0.00 C ATOM 1727 C TYR A 129 -17.051 -12.786 40.082 1.00 0.00 C ATOM 1728 O TYR A 129 -17.287 -12.779 41.290 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.442 -14.955 39.006 1.00 0.00 C ATOM 1730 CG TYR A 129 -17.054 -16.308 38.733 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -16.908 -16.900 37.473 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -17.766 -16.970 39.740 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -17.475 -18.155 37.220 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -18.334 -18.225 39.487 1.00 0.00 C ATOM 1735 CZ TYR A 129 -18.188 -18.817 38.226 1.00 0.00 C ATOM 1736 OH TYR A 129 -18.747 -20.054 37.977 1.00 0.00 O ATOM 0 H TYR A 129 -17.425 -13.734 37.107 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.409 -14.393 39.676 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.795 -14.663 38.179 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -15.818 -15.000 39.898 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -16.358 -16.389 36.696 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -17.877 -16.513 40.712 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -17.362 -18.612 36.248 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -18.884 -18.736 40.263 1.00 0.00 H new ATOM 0 HH TYR A 129 -19.206 -20.374 38.782 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.357 -11.829 39.474 1.00 0.00 N ATOM 1747 CA ARG A 130 -15.827 -10.693 40.219 1.00 0.00 C ATOM 1748 C ARG A 130 -16.959 -9.901 40.864 1.00 0.00 C ATOM 1749 O ARG A 130 -16.858 -9.485 42.019 1.00 0.00 O ATOM 1750 CB ARG A 130 -15.031 -9.781 39.283 1.00 0.00 C ATOM 1751 CG ARG A 130 -14.406 -8.642 40.091 1.00 0.00 C ATOM 1752 CD ARG A 130 -13.584 -7.748 39.161 1.00 0.00 C ATOM 1753 NE ARG A 130 -14.455 -7.091 38.192 1.00 0.00 N ATOM 1754 CZ ARG A 130 -13.955 -6.332 37.223 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -14.754 -5.755 36.368 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -12.664 -6.164 37.125 1.00 0.00 N ATOM 0 H ARG A 130 -16.150 -11.817 38.475 1.00 0.00 H new ATOM 0 HA ARG A 130 -15.170 -11.070 41.003 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -14.253 -10.352 38.777 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -15.684 -9.377 38.509 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -15.186 -8.058 40.579 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -13.771 -9.047 40.879 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.048 -7.000 39.745 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.834 -8.344 38.641 1.00 0.00 H new ATOM 0 HE ARG A 130 -15.465 -7.217 38.260 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -15.763 -5.887 36.444 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -14.370 -5.172 35.624 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.039 -6.616 37.793 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -12.281 -5.581 36.381 1.00 0.00 H new ATOM 1770 N GLU A 131 -18.035 -9.695 40.112 1.00 0.00 N ATOM 1771 CA GLU A 131 -19.180 -8.951 40.622 1.00 0.00 C ATOM 1772 C GLU A 131 -19.863 -9.722 41.747 1.00 0.00 C ATOM 1773 O GLU A 131 -20.274 -9.140 42.751 1.00 0.00 O ATOM 1774 CB GLU A 131 -20.182 -8.697 39.494 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.573 -7.728 38.478 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.527 -7.534 37.305 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.596 -8.122 37.333 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -20.176 -6.800 36.396 1.00 0.00 O ATOM 0 H GLU A 131 -18.138 -10.030 39.154 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.824 -7.998 41.014 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.442 -9.636 39.006 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -21.105 -8.283 39.900 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.370 -6.769 38.954 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.619 -8.115 38.121 1.00 0.00 H new