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 79 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 ASN :FLIP amide:sc= -0.0105 F(o=-1.7!,f=-0.011) USER MOD Set 2.1: A 41 MET CE :methyl -154:sc= -0.199 (180deg=-1.01) USER MOD Set 2.2: A 116 CYS SG : rot 77:sc= 0.912 USER MOD Single : A 33 SER OG : rot 180:sc= -1.05 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -0.124 K(o=-0.12,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 0.444! (180deg=-0.978!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.393 F(o=-1.2,f=-0.39) USER MOD Single : A 57 SER OG : rot -130:sc= -4.17! 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 -47:sc= -6.21! USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -154:sc= -0.191 (180deg=-1.02) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -1.29! C(o=-7.3!,f=-1.3!) USER MOD Single : A 98 HIS : no HE2:sc= 0.395! C(o=0.4!,f=-9.5!) USER MOD Single : A 105 THR OG1 : rot -29:sc= 0.27 USER MOD Single : A 106 THR OG1 : rot -110:sc= -5.59! USER MOD Single : A 114 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.8) USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 0.692 (180deg=0.537) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 128 GLN : amide:sc= -0.0444 K(o=-0.044,f=-2.6!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 0.073 -13.022 8.601 1.00 0.00 N ATOM 134 CA SER A 33 -0.479 -12.549 9.855 1.00 0.00 C ATOM 135 C SER A 33 -1.755 -13.300 10.175 1.00 0.00 C ATOM 136 O SER A 33 -1.787 -14.060 11.135 1.00 0.00 O ATOM 137 CB SER A 33 -0.750 -11.046 9.780 1.00 0.00 C ATOM 138 OG SER A 33 -0.559 -10.452 11.057 1.00 0.00 O ATOM 0 HA SER A 33 0.244 -12.731 10.650 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.083 -10.584 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.769 -10.869 9.436 1.00 0.00 H new ATOM 0 HG SER A 33 -0.733 -9.489 10.999 1.00 0.00 H new ATOM 144 N LEU A 34 -2.789 -13.100 9.347 1.00 0.00 N ATOM 145 CA LEU A 34 -4.080 -13.762 9.549 1.00 0.00 C ATOM 146 C LEU A 34 -3.889 -15.175 10.038 1.00 0.00 C ATOM 147 O LEU A 34 -4.604 -15.629 10.934 1.00 0.00 O ATOM 148 CB LEU A 34 -4.881 -13.747 8.254 1.00 0.00 C ATOM 149 CG LEU A 34 -6.237 -14.418 8.489 1.00 0.00 C ATOM 150 CD1 LEU A 34 -7.017 -13.664 9.577 1.00 0.00 C ATOM 151 CD2 LEU A 34 -7.038 -14.402 7.188 1.00 0.00 C ATOM 0 H LEU A 34 -2.755 -12.486 8.533 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.634 -13.215 10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.024 -12.721 7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.335 -14.270 7.469 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.077 -15.446 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.980 -14.149 9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.447 -13.674 10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.178 -12.633 9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.005 -14.879 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.191 -13.371 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.491 -14.944 6.417 1.00 0.00 H new ATOM 163 N GLU A 35 -2.919 -15.852 9.465 1.00 0.00 N ATOM 164 CA GLU A 35 -2.630 -17.218 9.858 1.00 0.00 C ATOM 165 C GLU A 35 -2.116 -17.279 11.293 1.00 0.00 C ATOM 166 O GLU A 35 -2.537 -18.130 12.076 1.00 0.00 O ATOM 167 CB GLU A 35 -1.589 -17.814 8.911 1.00 0.00 C ATOM 168 CG GLU A 35 -1.307 -19.256 9.312 1.00 0.00 C ATOM 169 CD GLU A 35 -0.316 -19.889 8.340 1.00 0.00 C ATOM 170 OE1 GLU A 35 0.266 -19.154 7.560 1.00 0.00 O ATOM 171 OE2 GLU A 35 -0.159 -21.098 8.386 1.00 0.00 O ATOM 0 H GLU A 35 -2.318 -15.483 8.728 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.553 -17.795 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.951 -17.775 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.670 -17.228 8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.905 -19.288 10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.235 -19.827 9.320 1.00 0.00 H new ATOM 178 N GLU A 36 -1.209 -16.372 11.634 1.00 0.00 N ATOM 179 CA GLU A 36 -0.648 -16.341 12.978 1.00 0.00 C ATOM 180 C GLU A 36 -1.724 -15.994 14.003 1.00 0.00 C ATOM 181 O GLU A 36 -1.772 -16.573 15.087 1.00 0.00 O ATOM 182 CB GLU A 36 0.475 -15.302 13.047 1.00 0.00 C ATOM 183 CG GLU A 36 1.667 -15.774 12.215 1.00 0.00 C ATOM 184 CD GLU A 36 2.744 -14.693 12.184 1.00 0.00 C ATOM 185 OE1 GLU A 36 2.387 -13.532 12.068 1.00 0.00 O ATOM 186 OE2 GLU A 36 3.909 -15.042 12.274 1.00 0.00 O ATOM 0 H GLU A 36 -0.849 -15.654 11.005 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.249 -17.329 13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.118 -14.341 12.676 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.780 -15.150 14.082 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.074 -16.693 12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.344 -16.006 11.200 1.00 0.00 H new ATOM 193 N LYS A 37 -2.583 -15.045 13.652 1.00 0.00 N ATOM 194 CA LYS A 37 -3.647 -14.618 14.558 1.00 0.00 C ATOM 195 C LYS A 37 -4.513 -15.814 14.946 1.00 0.00 C ATOM 196 O LYS A 37 -4.812 -16.021 16.122 1.00 0.00 O ATOM 197 CB LYS A 37 -4.534 -13.563 13.877 1.00 0.00 C ATOM 198 CG LYS A 37 -3.711 -12.788 12.868 1.00 0.00 C ATOM 199 CD LYS A 37 -4.540 -11.672 12.261 1.00 0.00 C ATOM 200 CE LYS A 37 -3.714 -10.896 11.204 1.00 0.00 C ATOM 201 NZ LYS A 37 -4.318 -9.567 10.956 1.00 0.00 N ATOM 0 H LYS A 37 -2.566 -14.559 12.755 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.189 -14.189 15.449 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.377 -14.045 13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.948 -12.884 14.623 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.827 -12.372 13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.360 -13.458 12.083 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.436 -12.087 11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.872 -10.990 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.687 -10.778 11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.674 -11.464 10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.755 -9.057 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.290 -9.687 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.334 -9.022 11.842 1.00 0.00 H new ATOM 215 N ILE A 38 -4.909 -16.601 13.949 1.00 0.00 N ATOM 216 CA ILE A 38 -5.740 -17.773 14.200 1.00 0.00 C ATOM 217 C ILE A 38 -4.984 -18.788 15.052 1.00 0.00 C ATOM 218 O ILE A 38 -5.536 -19.359 15.992 1.00 0.00 O ATOM 219 CB ILE A 38 -6.147 -18.418 12.874 1.00 0.00 C ATOM 220 CG1 ILE A 38 -7.078 -17.471 12.114 1.00 0.00 C ATOM 221 CG2 ILE A 38 -6.881 -19.732 13.148 1.00 0.00 C ATOM 222 CD1 ILE A 38 -7.273 -17.985 10.686 1.00 0.00 C ATOM 0 H ILE A 38 -4.670 -16.450 12.969 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.634 -17.456 14.737 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.256 -18.615 12.278 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.040 -17.404 12.622 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.656 -16.466 12.096 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.171 -20.191 12.203 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.224 -20.409 13.694 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.772 -19.534 13.743 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.936 -17.311 10.144 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.308 -18.029 10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.714 -18.982 10.715 1.00 0.00 H new ATOM 234 N LYS A 39 -3.717 -19.008 14.716 1.00 0.00 N ATOM 235 CA LYS A 39 -2.895 -19.959 15.456 1.00 0.00 C ATOM 236 C LYS A 39 -2.771 -19.530 16.912 1.00 0.00 C ATOM 237 O LYS A 39 -2.809 -20.362 17.819 1.00 0.00 O ATOM 238 CB LYS A 39 -1.504 -20.050 14.824 1.00 0.00 C ATOM 239 CG LYS A 39 -1.605 -20.759 13.473 1.00 0.00 C ATOM 240 CD LYS A 39 -0.246 -20.728 12.764 1.00 0.00 C ATOM 241 CE LYS A 39 0.620 -21.893 13.224 1.00 0.00 C ATOM 242 NZ LYS A 39 1.788 -22.037 12.315 1.00 0.00 N ATOM 0 H LYS A 39 -3.240 -18.545 13.942 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.373 -20.938 15.416 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.086 -19.052 14.693 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.828 -20.595 15.483 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.926 -21.791 13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.359 -20.274 12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.391 -20.778 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.260 -19.786 12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.960 -21.725 14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.036 -22.813 13.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.378 -22.833 12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.454 -22.217 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.350 -21.162 12.331 1.00 0.00 H new ATOM 256 N LEU A 40 -2.616 -18.228 17.131 1.00 0.00 N ATOM 257 CA LEU A 40 -2.488 -17.707 18.486 1.00 0.00 C ATOM 258 C LEU A 40 -3.789 -17.883 19.264 1.00 0.00 C ATOM 259 O LEU A 40 -3.790 -18.365 20.397 1.00 0.00 O ATOM 260 CB LEU A 40 -2.119 -16.222 18.438 1.00 0.00 C ATOM 261 CG LEU A 40 -2.010 -15.672 19.862 1.00 0.00 C ATOM 262 CD1 LEU A 40 -0.970 -16.478 20.645 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.583 -14.204 19.809 1.00 0.00 C ATOM 0 H LEU A 40 -2.576 -17.522 16.396 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.702 -18.266 18.993 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.173 -16.089 17.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.874 -15.668 17.880 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.978 -15.753 20.357 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.893 -16.085 21.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.274 -17.524 20.683 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.001 -16.399 20.151 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.505 -13.811 20.823 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.615 -14.124 19.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.324 -13.629 19.253 1.00 0.00 H new ATOM 275 N MET A 41 -4.896 -17.488 18.645 1.00 0.00 N ATOM 276 CA MET A 41 -6.201 -17.600 19.280 1.00 0.00 C ATOM 277 C MET A 41 -6.579 -19.064 19.459 1.00 0.00 C ATOM 278 O MET A 41 -7.290 -19.425 20.397 1.00 0.00 O ATOM 279 CB MET A 41 -7.257 -16.884 18.438 1.00 0.00 C ATOM 280 CG MET A 41 -7.125 -15.370 18.620 1.00 0.00 C ATOM 281 SD MET A 41 -7.525 -14.921 20.328 1.00 0.00 S ATOM 282 CE MET A 41 -9.313 -15.186 20.224 1.00 0.00 C ATOM 0 H MET A 41 -4.915 -17.089 17.707 1.00 0.00 H new ATOM 0 HA MET A 41 -6.153 -17.130 20.262 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.136 -17.145 17.387 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.254 -17.210 18.734 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.111 -15.052 18.379 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.793 -14.852 17.932 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.817 -14.562 20.962 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.663 -14.921 19.226 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.538 -16.234 20.421 1.00 0.00 H new ATOM 292 N ARG A 42 -6.108 -19.902 18.545 1.00 0.00 N ATOM 293 CA ARG A 42 -6.407 -21.325 18.609 1.00 0.00 C ATOM 294 C ARG A 42 -5.796 -21.947 19.855 1.00 0.00 C ATOM 295 O ARG A 42 -6.190 -23.035 20.273 1.00 0.00 O ATOM 296 CB ARG A 42 -5.877 -22.041 17.356 1.00 0.00 C ATOM 297 CG ARG A 42 -6.955 -22.078 16.265 1.00 0.00 C ATOM 298 CD ARG A 42 -6.681 -23.244 15.326 1.00 0.00 C ATOM 299 NE ARG A 42 -5.379 -23.092 14.677 1.00 0.00 N ATOM 300 CZ ARG A 42 -5.274 -22.775 13.391 1.00 0.00 C ATOM 301 NH1 ARG A 42 -4.096 -22.648 12.844 1.00 0.00 N ATOM 302 NH2 ARG A 42 -6.349 -22.591 12.674 1.00 0.00 N ATOM 0 H ARG A 42 -5.523 -19.624 17.757 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.490 -21.442 18.654 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.991 -21.527 16.983 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.573 -23.056 17.611 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.942 -22.184 16.716 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.958 -21.141 15.708 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.708 -24.180 15.884 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.465 -23.301 14.571 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.531 -23.233 15.225 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.256 -22.792 13.404 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.016 -22.405 11.857 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.270 -22.691 13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.268 -22.348 11.687 1.00 0.00 H new ATOM 316 N LEU A 43 -4.830 -21.255 20.439 1.00 0.00 N ATOM 317 CA LEU A 43 -4.177 -21.745 21.643 1.00 0.00 C ATOM 318 C LEU A 43 -4.828 -21.167 22.890 1.00 0.00 C ATOM 319 O LEU A 43 -4.956 -21.849 23.907 1.00 0.00 O ATOM 320 CB LEU A 43 -2.689 -21.380 21.618 1.00 0.00 C ATOM 321 CG LEU A 43 -1.909 -22.442 20.839 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.447 -22.013 20.728 1.00 0.00 C ATOM 323 CD2 LEU A 43 -1.991 -23.794 21.572 1.00 0.00 C ATOM 0 H LEU A 43 -4.482 -20.358 20.101 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.284 -22.829 21.670 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.552 -20.403 21.155 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.306 -21.307 22.636 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.339 -22.548 19.843 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.112 -22.767 20.174 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.387 -21.059 20.205 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.022 -21.907 21.726 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.434 -24.546 21.013 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.564 -23.694 22.570 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.034 -24.101 21.653 1.00 0.00 H new ATOM 335 N VAL A 44 -5.230 -19.907 22.809 1.00 0.00 N ATOM 336 CA VAL A 44 -5.858 -19.246 23.944 1.00 0.00 C ATOM 337 C VAL A 44 -7.171 -19.938 24.300 1.00 0.00 C ATOM 338 O VAL A 44 -7.447 -20.206 25.469 1.00 0.00 O ATOM 339 CB VAL A 44 -6.122 -17.777 23.609 1.00 0.00 C ATOM 340 CG1 VAL A 44 -6.732 -17.059 24.821 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.804 -17.095 23.224 1.00 0.00 C ATOM 0 H VAL A 44 -5.134 -19.326 21.976 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.185 -19.305 24.800 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.821 -17.724 22.775 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.915 -16.014 24.571 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.673 -17.538 25.092 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.041 -17.114 25.662 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.992 -16.048 22.985 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.105 -17.157 24.058 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.376 -17.594 22.354 1.00 0.00 H new ATOM 351 N VAL A 45 -7.978 -20.220 23.284 1.00 0.00 N ATOM 352 CA VAL A 45 -9.260 -20.878 23.497 1.00 0.00 C ATOM 353 C VAL A 45 -9.052 -22.284 24.047 1.00 0.00 C ATOM 354 O VAL A 45 -9.773 -22.726 24.939 1.00 0.00 O ATOM 355 CB VAL A 45 -10.045 -20.941 22.188 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.255 -21.859 22.361 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.527 -19.535 21.818 1.00 0.00 C ATOM 0 H VAL A 45 -7.768 -20.004 22.309 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.829 -20.298 24.224 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.403 -21.330 21.398 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.815 -21.903 21.427 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.917 -22.860 22.629 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.898 -21.469 23.150 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.088 -19.577 20.884 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.169 -19.150 22.610 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.667 -18.876 21.696 1.00 0.00 H new ATOM 367 N ARG A 46 -8.069 -22.985 23.498 1.00 0.00 N ATOM 368 CA ARG A 46 -7.776 -24.344 23.934 1.00 0.00 C ATOM 369 C ARG A 46 -7.277 -24.348 25.376 1.00 0.00 C ATOM 370 O ARG A 46 -7.226 -25.391 26.026 1.00 0.00 O ATOM 371 CB ARG A 46 -6.724 -24.972 23.016 1.00 0.00 C ATOM 372 CG ARG A 46 -6.503 -26.435 23.412 1.00 0.00 C ATOM 373 CD ARG A 46 -5.534 -27.090 22.431 1.00 0.00 C ATOM 374 NE ARG A 46 -5.433 -28.519 22.704 1.00 0.00 N ATOM 375 CZ ARG A 46 -4.549 -28.992 23.577 1.00 0.00 C ATOM 376 NH1 ARG A 46 -4.477 -30.275 23.803 1.00 0.00 N ATOM 377 NH2 ARG A 46 -3.753 -28.172 24.209 1.00 0.00 N ATOM 0 H ARG A 46 -7.464 -22.638 22.754 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.693 -24.931 23.882 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.050 -24.911 21.978 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.787 -24.420 23.089 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.105 -26.492 24.425 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.453 -26.970 23.412 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.877 -26.931 21.409 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.551 -26.626 22.514 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.052 -29.167 22.216 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.099 -30.915 23.310 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.799 -30.638 24.473 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.810 -27.169 24.033 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.075 -28.535 24.879 1.00 0.00 H new ATOM 391 N HIS A 47 -6.907 -23.172 25.872 1.00 0.00 N ATOM 392 CA HIS A 47 -6.411 -23.051 27.240 1.00 0.00 C ATOM 393 C HIS A 47 -7.160 -21.955 27.992 1.00 0.00 C ATOM 394 O HIS A 47 -6.615 -21.326 28.893 1.00 0.00 O ATOM 395 CB HIS A 47 -4.916 -22.733 27.220 1.00 0.00 C ATOM 396 CG HIS A 47 -4.162 -23.896 26.633 1.00 0.00 C ATOM 397 ND1 HIS A 47 -3.556 -23.829 25.388 1.00 0.00 N ATOM 398 CD2 HIS A 47 -3.910 -25.160 27.105 1.00 0.00 C ATOM 399 CE1 HIS A 47 -2.974 -25.020 25.156 1.00 0.00 C ATOM 400 NE2 HIS A 47 -3.159 -25.868 26.171 1.00 0.00 N ATOM 0 H HIS A 47 -6.940 -22.295 25.353 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.577 -23.998 27.753 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.733 -21.833 26.632 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.563 -22.530 28.231 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.552 -23.024 24.762 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.244 -25.547 28.057 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.424 -25.261 24.258 1.00 0.00 H new ATOM 407 N LYS A 48 -8.410 -21.735 27.613 1.00 0.00 N ATOM 408 CA LYS A 48 -9.232 -20.716 28.252 1.00 0.00 C ATOM 409 C LYS A 48 -9.607 -21.136 29.672 1.00 0.00 C ATOM 410 O LYS A 48 -9.812 -20.293 30.549 1.00 0.00 O ATOM 411 CB LYS A 48 -10.499 -20.503 27.410 1.00 0.00 C ATOM 412 CG LYS A 48 -11.319 -21.770 27.372 1.00 0.00 C ATOM 413 CD LYS A 48 -12.540 -21.543 26.478 1.00 0.00 C ATOM 414 CE LYS A 48 -13.370 -22.823 26.426 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.548 -22.617 25.539 1.00 0.00 N ATOM 0 H LYS A 48 -8.878 -22.248 26.866 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.668 -19.785 28.316 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.091 -19.690 27.830 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.226 -20.207 26.397 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.719 -22.596 26.989 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.634 -22.045 28.378 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.142 -20.721 26.866 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.223 -21.260 25.474 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.762 -23.648 26.055 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.700 -23.096 27.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.308 -23.273 25.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.886 -21.638 25.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.275 -22.797 24.552 1.00 0.00 H new ATOM 429 N HIS A 49 -9.705 -22.442 29.887 1.00 0.00 N ATOM 430 CA HIS A 49 -10.066 -22.968 31.198 1.00 0.00 C ATOM 431 C HIS A 49 -8.932 -22.764 32.195 1.00 0.00 C ATOM 432 O HIS A 49 -9.130 -22.872 33.405 1.00 0.00 O ATOM 433 CB HIS A 49 -10.391 -24.458 31.093 1.00 0.00 C ATOM 434 CG HIS A 49 -11.711 -24.638 30.397 1.00 0.00 C ATOM 435 ND1 HIS A 49 -13.003 -24.429 30.813 1.00 0.00 N flip ATOM 436 CD2 HIS A 49 -11.804 -25.090 29.090 1.00 0.00 C flip ATOM 437 CE1 HIS A 49 -13.884 -24.746 29.783 1.00 0.00 C flip ATOM 438 NE2 HIS A 49 -13.109 -25.139 28.768 1.00 0.00 N flip ATOM 0 H HIS A 49 -9.541 -23.153 29.175 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.944 -22.427 31.551 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.605 -24.974 30.542 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -10.429 -24.903 32.087 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -10.978 -25.355 28.447 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -14.962 -24.687 29.800 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -13.464 -25.439 27.860 1.00 0.00 H new ATOM 445 N GLU A 50 -7.744 -22.467 31.682 1.00 0.00 N ATOM 446 CA GLU A 50 -6.587 -22.246 32.541 1.00 0.00 C ATOM 447 C GLU A 50 -6.742 -20.953 33.333 1.00 0.00 C ATOM 448 O GLU A 50 -6.483 -19.865 32.821 1.00 0.00 O ATOM 449 CB GLU A 50 -5.310 -22.180 31.701 1.00 0.00 C ATOM 450 CG GLU A 50 -4.970 -23.576 31.178 1.00 0.00 C ATOM 451 CD GLU A 50 -3.676 -23.529 30.374 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.112 -22.453 30.258 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.265 -24.570 29.887 1.00 0.00 O ATOM 0 H GLU A 50 -7.557 -22.374 30.684 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.519 -23.081 33.239 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.446 -21.491 30.867 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.486 -21.795 32.302 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.865 -24.270 32.012 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.783 -23.948 30.554 1.00 0.00 H new ATOM 567 N SER A 57 -0.785 -13.212 34.888 1.00 0.00 N ATOM 568 CA SER A 57 0.304 -13.368 33.930 1.00 0.00 C ATOM 569 C SER A 57 0.593 -14.840 33.668 1.00 0.00 C ATOM 570 O SER A 57 0.852 -15.239 32.532 1.00 0.00 O ATOM 571 CB SER A 57 1.566 -12.687 34.454 1.00 0.00 C ATOM 572 OG SER A 57 2.616 -12.868 33.514 1.00 0.00 O ATOM 0 HA SER A 57 -0.001 -12.900 32.994 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.382 -11.624 34.612 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.848 -13.109 35.419 1.00 0.00 H new ATOM 0 HG SER A 57 3.414 -13.201 33.975 1.00 0.00 H new ATOM 578 N GLU A 58 0.562 -15.646 34.723 1.00 0.00 N ATOM 579 CA GLU A 58 0.836 -17.072 34.584 1.00 0.00 C ATOM 580 C GLU A 58 0.130 -17.637 33.356 1.00 0.00 C ATOM 581 O GLU A 58 0.571 -18.630 32.777 1.00 0.00 O ATOM 582 CB GLU A 58 0.375 -17.821 35.834 1.00 0.00 C ATOM 583 CG GLU A 58 0.706 -19.311 35.687 1.00 0.00 C ATOM 584 CD GLU A 58 0.455 -20.040 37.005 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.099 -19.423 37.899 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.824 -21.199 37.103 1.00 0.00 O ATOM 0 H GLU A 58 0.352 -15.342 35.674 1.00 0.00 H new ATOM 0 HA GLU A 58 1.911 -17.204 34.462 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.867 -17.414 36.717 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.697 -17.688 35.976 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.096 -19.750 34.898 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.747 -19.432 35.389 1.00 0.00 H new ATOM 593 N PHE A 59 -0.965 -16.997 32.961 1.00 0.00 N ATOM 594 CA PHE A 59 -1.719 -17.445 31.797 1.00 0.00 C ATOM 595 C PHE A 59 -1.045 -16.989 30.506 1.00 0.00 C ATOM 596 O PHE A 59 -0.546 -17.806 29.731 1.00 0.00 O ATOM 597 CB PHE A 59 -3.143 -16.890 31.853 1.00 0.00 C ATOM 598 CG PHE A 59 -3.845 -17.177 30.550 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.114 -18.499 30.177 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.232 -16.121 29.715 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.768 -18.766 28.968 1.00 0.00 C ATOM 602 CE2 PHE A 59 -4.886 -16.388 28.507 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.155 -17.710 28.133 1.00 0.00 C ATOM 0 H PHE A 59 -1.348 -16.173 33.425 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.750 -18.534 31.809 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.689 -17.343 32.680 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.119 -15.816 32.037 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.817 -19.313 30.822 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.026 -15.101 30.003 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.974 -19.786 28.679 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.183 -15.574 27.863 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.661 -17.916 27.201 1.00 0.00 H new ATOM 613 N TYR A 60 -1.035 -15.681 30.283 1.00 0.00 N ATOM 614 CA TYR A 60 -0.429 -15.126 29.083 1.00 0.00 C ATOM 615 C TYR A 60 1.036 -15.551 28.982 1.00 0.00 C ATOM 616 O TYR A 60 1.581 -15.686 27.886 1.00 0.00 O ATOM 617 CB TYR A 60 -0.520 -13.604 29.119 1.00 0.00 C ATOM 618 CG TYR A 60 -1.942 -13.179 29.362 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.373 -12.903 30.665 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.837 -13.066 28.291 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.697 -12.513 30.897 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.161 -12.676 28.523 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.591 -12.400 29.826 1.00 0.00 C ATOM 624 OH TYR A 60 -5.894 -12.013 30.053 1.00 0.00 O ATOM 0 H TYR A 60 -1.438 -14.989 30.915 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.965 -15.503 28.212 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.125 -13.211 29.905 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.163 -13.188 28.177 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.684 -12.991 31.492 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.506 -13.280 27.286 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.029 -12.299 31.902 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.851 -12.588 27.697 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.380 -11.984 29.202 1.00 0.00 H new ATOM 634 N ALA A 61 1.665 -15.761 30.133 1.00 0.00 N ATOM 635 CA ALA A 61 3.064 -16.177 30.167 1.00 0.00 C ATOM 636 C ALA A 61 3.217 -17.594 29.621 1.00 0.00 C ATOM 637 O ALA A 61 4.303 -17.996 29.204 1.00 0.00 O ATOM 638 CB ALA A 61 3.594 -16.117 31.600 1.00 0.00 C ATOM 0 H ALA A 61 1.232 -15.651 31.050 1.00 0.00 H new ATOM 0 HA ALA A 61 3.640 -15.496 29.540 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.638 -16.429 31.615 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.515 -15.097 31.975 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.007 -16.783 32.233 1.00 0.00 H new ATOM 644 N LYS A 62 2.123 -18.348 29.632 1.00 0.00 N ATOM 645 CA LYS A 62 2.148 -19.717 29.135 1.00 0.00 C ATOM 646 C LYS A 62 1.788 -19.759 27.655 1.00 0.00 C ATOM 647 O LYS A 62 2.316 -20.577 26.901 1.00 0.00 O ATOM 648 CB LYS A 62 1.163 -20.577 29.929 1.00 0.00 C ATOM 649 CG LYS A 62 1.606 -22.042 29.881 1.00 0.00 C ATOM 650 CD LYS A 62 0.701 -22.887 30.784 1.00 0.00 C ATOM 651 CE LYS A 62 1.093 -22.686 32.252 1.00 0.00 C ATOM 652 NZ LYS A 62 0.455 -23.741 33.083 1.00 0.00 N ATOM 0 H LYS A 62 1.215 -18.037 29.977 1.00 0.00 H new ATOM 0 HA LYS A 62 3.157 -20.111 29.260 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.117 -20.234 30.963 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.160 -20.476 29.514 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.561 -22.412 28.857 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.643 -22.129 30.206 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.341 -22.605 30.635 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.787 -23.940 30.517 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.177 -22.729 32.359 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.778 -21.700 32.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.720 -23.606 34.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.579 -23.679 32.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.777 -24.677 32.763 1.00 0.00 H new ATOM 666 N ILE A 63 0.875 -18.883 27.246 1.00 0.00 N ATOM 667 CA ILE A 63 0.444 -18.844 25.854 1.00 0.00 C ATOM 668 C ILE A 63 1.608 -18.481 24.942 1.00 0.00 C ATOM 669 O ILE A 63 1.831 -19.129 23.921 1.00 0.00 O ATOM 670 CB ILE A 63 -0.672 -17.808 25.688 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.899 -18.240 26.501 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.054 -17.694 24.211 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.379 -19.624 26.044 1.00 0.00 C ATOM 0 H ILE A 63 0.424 -18.198 27.852 1.00 0.00 H new ATOM 0 HA ILE A 63 0.075 -19.832 25.579 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.320 -16.840 26.046 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.650 -18.266 27.562 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.700 -17.511 26.379 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.848 -16.956 24.096 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.184 -17.383 23.633 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.403 -18.661 23.850 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.250 -19.918 26.629 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.647 -19.586 24.988 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.581 -20.352 26.190 1.00 0.00 H new ATOM 685 N ALA A 64 2.353 -17.452 25.321 1.00 0.00 N ATOM 686 CA ALA A 64 3.496 -17.020 24.527 1.00 0.00 C ATOM 687 C ALA A 64 4.592 -18.077 24.552 1.00 0.00 C ATOM 688 O ALA A 64 5.507 -18.055 23.730 1.00 0.00 O ATOM 689 CB ALA A 64 4.037 -15.694 25.070 1.00 0.00 C ATOM 0 H ALA A 64 2.189 -16.904 26.166 1.00 0.00 H new ATOM 0 HA ALA A 64 3.171 -16.880 23.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.891 -15.377 24.472 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.257 -14.935 25.019 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.349 -15.825 26.106 1.00 0.00 H new ATOM 695 N ARG A 65 4.499 -18.991 25.509 1.00 0.00 N ATOM 696 CA ARG A 65 5.491 -20.050 25.635 1.00 0.00 C ATOM 697 C ARG A 65 5.190 -21.188 24.666 1.00 0.00 C ATOM 698 O ARG A 65 6.081 -21.685 23.978 1.00 0.00 O ATOM 699 CB ARG A 65 5.510 -20.580 27.068 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 6.619 -22.176 28.637 1.00 0.00 C ATOM 702 NE ARG A 65 7.030 -21.138 29.576 1.00 0.00 N ATOM 703 CZ ARG A 65 7.089 -21.378 30.882 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.459 -20.433 31.703 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.776 -22.558 31.344 1.00 0.00 N ATOM 0 H ARG A 65 3.753 -19.021 26.204 1.00 0.00 H new ATOM 0 HA ARG A 65 6.470 -19.636 25.391 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.678 -19.761 27.768 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.544 -21.020 27.317 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.458 -22.437 26.498 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.584 -21.183 26.978 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.624 -22.538 28.897 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.296 -23.027 28.705 1.00 0.00 H new ATOM 0 HE ARG A 65 7.276 -20.213 29.224 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.703 -19.511 31.342 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.504 -20.617 32.705 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.486 -23.296 30.703 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.821 -22.742 32.346 1.00 0.00 H new ATOM 719 N ILE A 66 3.926 -21.597 24.622 1.00 0.00 N ATOM 720 CA ILE A 66 3.510 -22.675 23.736 1.00 0.00 C ATOM 721 C ILE A 66 3.265 -22.148 22.328 1.00 0.00 C ATOM 722 O ILE A 66 3.256 -22.909 21.365 1.00 0.00 O ATOM 723 CB ILE A 66 2.238 -23.334 24.271 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.544 -24.021 25.605 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.739 -24.375 23.266 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.235 -24.447 26.271 1.00 0.00 C ATOM 0 H ILE A 66 3.176 -21.199 25.187 1.00 0.00 H new ATOM 0 HA ILE A 66 4.309 -23.416 23.698 1.00 0.00 H new ATOM 0 HB ILE A 66 1.470 -22.575 24.418 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.181 -24.890 25.441 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.093 -23.343 26.258 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.832 -24.844 23.648 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.523 -23.888 22.315 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.506 -25.135 23.118 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.452 -24.936 27.221 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.615 -23.569 26.449 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.704 -25.140 25.619 1.00 0.00 H new ATOM 738 N GLY A 67 3.063 -20.842 22.215 1.00 0.00 N ATOM 739 CA GLY A 67 2.815 -20.226 20.917 1.00 0.00 C ATOM 740 C GLY A 67 4.114 -20.076 20.131 1.00 0.00 C ATOM 741 O GLY A 67 4.101 -19.854 18.926 1.00 0.00 O ATOM 0 H GLY A 67 3.066 -20.192 23.001 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.110 -20.834 20.350 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.354 -19.248 21.056 1.00 0.00 H new ATOM 745 N TYR A 68 5.238 -20.192 20.821 1.00 0.00 N ATOM 746 CA TYR A 68 6.540 -20.067 20.171 1.00 0.00 C ATOM 747 C TYR A 68 7.285 -21.396 20.208 1.00 0.00 C ATOM 748 O TYR A 68 8.347 -21.539 19.604 1.00 0.00 O ATOM 749 CB TYR A 68 7.370 -18.989 20.869 1.00 0.00 C ATOM 750 CG TYR A 68 8.799 -19.067 20.389 1.00 0.00 C ATOM 751 CD1 TYR A 68 9.101 -18.827 19.043 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.823 -19.379 21.291 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.426 -18.898 18.599 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.149 -19.451 20.847 1.00 0.00 C ATOM 755 CZ TYR A 68 11.451 -19.210 19.501 1.00 0.00 C ATOM 756 OH TYR A 68 12.757 -19.280 19.064 1.00 0.00 O ATOM 0 H TYR A 68 5.279 -20.371 21.824 1.00 0.00 H new ATOM 0 HA TYR A 68 6.382 -19.783 19.130 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.957 -18.003 20.657 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.330 -19.126 21.950 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.311 -18.587 18.347 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.590 -19.564 22.329 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.658 -18.712 17.561 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.939 -19.692 21.543 1.00 0.00 H new ATOM 0 HH TYR A 68 13.342 -19.506 19.817 1.00 0.00 H new ATOM 766 N GLU A 69 6.724 -22.366 20.923 1.00 0.00 N ATOM 767 CA GLU A 69 7.347 -23.682 21.034 1.00 0.00 C ATOM 768 C GLU A 69 6.544 -24.723 20.264 1.00 0.00 C ATOM 769 O GLU A 69 6.866 -25.910 20.291 1.00 0.00 O ATOM 770 CB GLU A 69 7.441 -24.090 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 9.222 -22.869 25.427 1.00 0.00 O ATOM 0 H GLU A 69 5.845 -22.268 21.431 1.00 0.00 H new ATOM 0 HA GLU A 69 8.348 -23.627 20.607 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.462 -24.014 22.978 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.753 -25.131 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 5.497 -24.270 19.580 1.00 0.00 N ATOM 782 CA ASP A 70 4.655 -25.174 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 -25.093 16.438 1.00 0.00 O ATOM 785 CB ASP A 70 3.437 -25.597 19.628 1.00 0.00 C ATOM 786 CG ASP A 70 3.857 -26.582 20.714 1.00 0.00 C ATOM 787 OD1 ASP A 70 4.942 -27.129 20.600 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.091 -26.774 21.643 1.00 0.00 O ATOM 0 H ASP A 70 5.213 -23.291 19.548 1.00 0.00 H new ATOM 0 HA ASP A 70 5.243 -26.055 18.545 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.973 -24.721 20.081 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.690 -26.055 18.980 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 3.256 -22.515 16.473 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 4.327 -21.490 14.587 1.00 0.00 O ATOM 797 CB GLU A 71 2.228 -21.470 16.911 1.00 0.00 C ATOM 798 CG GLU A 71 1.178 -22.127 17.799 1.00 0.00 C ATOM 799 CD GLU A 71 0.446 -23.228 17.034 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.505 -23.209 15.816 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.159 -24.072 17.675 1.00 0.00 O ATOM 0 H GLU A 71 3.678 -22.749 18.517 1.00 0.00 H new ATOM 0 HA GLU A 71 2.790 -23.215 15.779 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.723 -20.663 17.451 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.753 -21.024 16.037 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.653 -22.546 18.686 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.464 -21.379 18.144 1.00 0.00 H new ATOM 808 N GLY A 72 5.511 -21.627 16.495 1.00 0.00 N ATOM 809 CA GLY A 72 6.687 -20.983 15.924 1.00 0.00 C ATOM 810 C GLY A 72 6.340 -19.610 15.364 1.00 0.00 C ATOM 811 O GLY A 72 6.754 -19.256 14.260 1.00 0.00 O ATOM 0 H GLY A 72 5.607 -21.898 17.474 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.458 -20.884 16.688 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.100 -21.608 15.133 1.00 0.00 H new ATOM 893 N GLU A 78 5.536 -11.658 28.016 1.00 0.00 N ATOM 894 CA GLU A 78 4.368 -11.510 28.881 1.00 0.00 C ATOM 895 C GLU A 78 3.523 -10.314 28.460 1.00 0.00 C ATOM 896 O GLU A 78 2.357 -10.466 28.085 1.00 0.00 O ATOM 897 CB GLU A 78 4.813 -11.319 30.333 1.00 0.00 C ATOM 898 CG GLU A 78 3.582 -11.168 31.232 1.00 0.00 C ATOM 899 CD GLU A 78 4.016 -10.944 32.674 1.00 0.00 C ATOM 900 OE1 GLU A 78 3.181 -10.530 33.461 1.00 0.00 O ATOM 901 OE2 GLU A 78 5.173 -11.188 32.973 1.00 0.00 O ATOM 0 HA GLU A 78 3.768 -12.416 28.791 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.410 -12.172 30.656 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.447 -10.437 30.416 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.974 -10.330 30.892 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.960 -12.061 31.165 1.00 0.00 H new ATOM 908 N SER A 79 4.111 -9.126 28.537 1.00 0.00 N ATOM 909 CA SER A 79 3.398 -7.906 28.185 1.00 0.00 C ATOM 910 C SER A 79 2.832 -7.991 26.770 1.00 0.00 C ATOM 911 O SER A 79 1.645 -7.752 26.552 1.00 0.00 O ATOM 912 CB SER A 79 4.354 -6.717 28.271 1.00 0.00 C ATOM 913 OG SER A 79 3.651 -5.524 27.957 1.00 0.00 O ATOM 0 H SER A 79 5.075 -8.983 28.839 1.00 0.00 H new ATOM 0 HA SER A 79 2.571 -7.778 28.884 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.779 -6.649 29.273 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.186 -6.854 27.581 1.00 0.00 H new ATOM 0 HG SER A 79 4.262 -4.760 28.013 1.00 0.00 H new ATOM 919 N ALA A 80 3.681 -8.342 25.815 1.00 0.00 N ATOM 920 CA ALA A 80 3.247 -8.454 24.428 1.00 0.00 C ATOM 921 C ALA A 80 2.107 -9.462 24.312 1.00 0.00 C ATOM 922 O ALA A 80 1.270 -9.369 23.421 1.00 0.00 O ATOM 923 CB ALA A 80 4.418 -8.900 23.549 1.00 0.00 C ATOM 0 H ALA A 80 4.667 -8.553 25.972 1.00 0.00 H new ATOM 0 HA ALA A 80 2.895 -7.479 24.092 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.086 -8.981 22.514 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.222 -8.167 23.615 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.781 -9.869 23.891 1.00 0.00 H new ATOM 929 N CYS A 81 2.077 -10.424 25.220 1.00 0.00 N ATOM 930 CA CYS A 81 1.032 -11.440 25.203 1.00 0.00 C ATOM 931 C CYS A 81 -0.302 -10.845 25.645 1.00 0.00 C ATOM 932 O CYS A 81 -1.347 -11.484 25.528 1.00 0.00 O ATOM 933 CB CYS A 81 1.419 -12.576 26.137 1.00 0.00 C ATOM 934 SG CYS A 81 3.159 -12.975 25.908 1.00 0.00 S ATOM 0 H CYS A 81 2.757 -10.525 25.973 1.00 0.00 H new ATOM 0 HA CYS A 81 0.924 -11.818 24.186 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.234 -12.289 27.172 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.804 -13.453 25.935 1.00 0.00 H new ATOM 0 HG CYS A 81 3.418 -13.072 24.638 1.00 0.00 H new ATOM 940 N ARG A 82 -0.255 -9.620 26.160 1.00 0.00 N ATOM 941 CA ARG A 82 -1.462 -8.947 26.618 1.00 0.00 C ATOM 942 C ARG A 82 -1.876 -7.872 25.636 1.00 0.00 C ATOM 943 O ARG A 82 -3.037 -7.497 25.598 1.00 0.00 O ATOM 944 CB ARG A 82 -1.230 -8.318 27.990 1.00 0.00 C ATOM 945 CG ARG A 82 -1.047 -9.422 29.030 1.00 0.00 C ATOM 946 CD ARG A 82 -0.800 -8.796 30.403 1.00 0.00 C ATOM 947 NE ARG A 82 0.495 -8.128 30.427 1.00 0.00 N ATOM 948 CZ ARG A 82 0.917 -7.485 31.512 1.00 0.00 C ATOM 949 NH1 ARG A 82 2.081 -6.895 31.509 1.00 0.00 N ATOM 950 NH2 ARG A 82 0.167 -7.445 32.579 1.00 0.00 N ATOM 0 H ARG A 82 0.602 -9.077 26.270 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.257 -9.689 26.691 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.348 -7.678 27.964 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.076 -7.685 28.260 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.933 -10.056 29.062 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.208 -10.061 28.754 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.590 -8.081 30.632 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.834 -9.566 31.173 1.00 0.00 H new ATOM 0 HE ARG A 82 1.088 -8.154 29.597 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.667 -6.927 30.675 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.405 -6.402 32.341 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.742 -7.907 32.581 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.490 -6.952 33.411 1.00 0.00 H new ATOM 964 N ASN A 83 -0.919 -7.377 24.852 1.00 0.00 N ATOM 965 CA ASN A 83 -1.202 -6.338 23.866 1.00 0.00 C ATOM 966 C ASN A 83 -1.690 -6.954 22.558 1.00 0.00 C ATOM 967 O ASN A 83 -2.669 -6.495 21.968 1.00 0.00 O ATOM 968 CB ASN A 83 0.059 -5.517 23.604 1.00 0.00 C ATOM 969 CG ASN A 83 0.626 -5.002 24.926 1.00 0.00 C ATOM 970 OD1 ASN A 83 1.849 -5.311 25.261 1.00 0.00 O flip ATOM 971 ND2 ASN A 83 -0.063 -4.307 25.674 1.00 0.00 N flip ATOM 0 H ASN A 83 0.055 -7.678 24.881 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.985 -5.691 24.262 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.802 -6.129 23.093 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.172 -4.679 22.946 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.019 -4.067 25.410 1.00 0.00 H new ATOM 0 HD22 ASN A 83 0.322 -3.972 26.557 1.00 0.00 H new ATOM 978 N GLN A 84 -0.990 -7.990 22.104 1.00 0.00 N ATOM 979 CA GLN A 84 -1.350 -8.657 20.860 1.00 0.00 C ATOM 980 C GLN A 84 -2.780 -9.182 20.919 1.00 0.00 C ATOM 981 O GLN A 84 -3.634 -8.777 20.130 1.00 0.00 O ATOM 982 CB GLN A 84 -0.392 -9.826 20.607 1.00 0.00 C ATOM 983 CG GLN A 84 1.016 -9.287 20.366 1.00 0.00 C ATOM 984 CD GLN A 84 1.943 -10.426 19.968 1.00 0.00 C ATOM 985 OE1 GLN A 84 2.859 -10.770 20.714 1.00 0.00 O ATOM 986 NE2 GLN A 84 1.761 -11.034 18.828 1.00 0.00 N ATOM 0 H GLN A 84 -0.176 -8.383 22.576 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.277 -7.933 20.049 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.393 -10.502 21.462 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.725 -10.403 19.744 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.996 -8.531 19.581 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.388 -8.801 21.268 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.001 -10.746 18.212 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.379 -11.797 18.553 1.00 0.00 H new ATOM 995 N ILE A 85 -3.036 -10.074 21.868 1.00 0.00 N ATOM 996 CA ILE A 85 -4.366 -10.650 22.027 1.00 0.00 C ATOM 997 C ILE A 85 -5.395 -9.543 22.211 1.00 0.00 C ATOM 998 O ILE A 85 -6.502 -9.618 21.678 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 -3.542 -12.822 22.940 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.833 -12.012 23.519 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.343 -13.623 24.228 1.00 0.00 C ATOM 0 H ILE A 85 -2.344 -10.413 22.536 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.611 -11.220 21.131 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.990 -11.065 24.106 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.030 -13.440 22.186 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.576 -12.524 22.531 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.852 -12.678 24.381 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.440 -11.131 23.728 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.235 -12.532 22.650 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.738 -14.505 24.018 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.836 -13.003 24.968 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.313 -13.933 24.617 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.031 -8.517 22.966 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.946 -7.407 23.196 1.00 0.00 C ATOM 1016 C ILE A 86 -6.267 -6.701 21.883 1.00 0.00 C ATOM 1017 O ILE A 86 -7.407 -6.344 21.622 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.313 -6.394 24.183 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.857 -6.630 25.609 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.605 -4.945 23.751 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.550 -5.413 26.497 1.00 0.00 C ATOM 0 H ILE A 86 -4.124 -8.429 23.424 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.868 -7.803 23.622 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.234 -6.547 24.176 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.933 -6.802 25.573 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.405 -7.525 26.036 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.149 -4.255 24.461 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.190 -4.771 22.758 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.683 -4.782 23.728 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.937 -5.588 27.501 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.472 -5.261 26.545 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.023 -4.526 26.075 1.00 0.00 H new ATOM 1033 N SER A 87 -5.248 -6.458 21.081 1.00 0.00 N ATOM 1034 CA SER A 87 -5.448 -5.758 19.823 1.00 0.00 C ATOM 1035 C SER A 87 -6.441 -6.509 18.955 1.00 0.00 C ATOM 1036 O SER A 87 -7.344 -5.907 18.378 1.00 0.00 O ATOM 1037 CB SER A 87 -4.122 -5.628 19.087 1.00 0.00 C ATOM 1038 OG SER A 87 -4.365 -5.286 17.730 1.00 0.00 O ATOM 0 H SER A 87 -4.284 -6.730 21.273 1.00 0.00 H new ATOM 0 HA SER A 87 -5.843 -4.765 20.035 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.504 -4.865 19.560 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.569 -6.566 19.143 1.00 0.00 H new ATOM 0 HG SER A 87 -3.511 -5.201 17.256 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.277 -7.828 18.887 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.171 -8.659 18.096 1.00 0.00 C ATOM 1046 C ILE A 88 -8.616 -8.451 18.541 1.00 0.00 C ATOM 1047 O ILE A 88 -9.539 -8.610 17.763 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.801 -10.131 18.254 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.431 -10.382 17.620 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.850 -11.002 17.557 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.946 -11.785 17.988 1.00 0.00 C ATOM 0 H ILE A 88 -5.537 -8.339 19.368 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.071 -8.372 17.049 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.766 -10.383 19.314 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.496 -10.281 16.537 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.716 -9.636 17.967 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.584 -12.053 17.671 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.827 -10.824 18.006 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.886 -10.750 16.497 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.970 -11.963 17.536 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.865 -11.869 19.072 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.657 -12.524 17.619 1.00 0.00 H new ATOM 1063 N MET A 89 -8.814 -8.114 19.802 1.00 0.00 N ATOM 1064 CA MET A 89 -10.169 -7.900 20.309 1.00 0.00 C ATOM 1065 C MET A 89 -10.779 -6.629 19.719 1.00 0.00 C ATOM 1066 O MET A 89 -11.888 -6.652 19.183 1.00 0.00 O ATOM 1067 CB MET A 89 -10.132 -7.776 21.831 1.00 0.00 C ATOM 1068 CG MET A 89 -9.909 -9.150 22.456 1.00 0.00 C ATOM 1069 SD MET A 89 -11.344 -10.201 22.129 1.00 0.00 S ATOM 1070 CE MET A 89 -12.492 -9.370 23.254 1.00 0.00 C ATOM 0 H MET A 89 -8.072 -7.983 20.489 1.00 0.00 H new ATOM 0 HA MET A 89 -10.782 -8.752 20.016 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.334 -7.096 22.130 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.067 -7.349 22.193 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.009 -9.607 22.044 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.754 -9.052 23.530 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.262 -10.073 23.573 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.948 -9.007 24.126 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.959 -8.529 22.742 1.00 0.00 H new ATOM 1080 N ARG A 90 -10.041 -5.528 19.804 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.523 -4.257 19.278 1.00 0.00 C ATOM 1082 C ARG A 90 -11.023 -4.434 17.851 1.00 0.00 C ATOM 1083 O ARG A 90 -12.056 -3.886 17.474 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.393 -3.222 19.304 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.921 -1.872 18.816 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.832 -0.809 18.977 1.00 0.00 C ATOM 1087 NE ARG A 90 -7.673 -1.143 18.156 1.00 0.00 N ATOM 1088 CZ ARG A 90 -7.586 -0.745 16.891 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.538 -1.058 16.179 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -8.549 -0.042 16.361 1.00 0.00 N ATOM 0 H ARG A 90 -9.114 -5.489 20.228 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.347 -3.908 19.901 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.998 -3.125 20.315 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.570 -3.552 18.671 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.222 -1.944 17.771 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.807 -1.589 19.384 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.222 0.167 18.688 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.536 -0.737 20.024 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.915 -1.693 18.561 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.786 -1.608 16.593 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.471 -0.753 15.208 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.368 0.202 16.918 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.483 0.264 15.390 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.289 -5.198 17.062 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.676 -5.436 15.675 1.00 0.00 C ATOM 1106 C VAL A 91 -11.942 -6.289 15.607 1.00 0.00 C ATOM 1107 O VAL A 91 -12.813 -6.068 14.762 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.529 -6.128 14.931 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -8.199 -5.727 15.592 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -9.715 -7.661 14.977 1.00 0.00 C ATOM 0 H VAL A 91 -9.428 -5.663 17.351 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.886 -4.478 15.199 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.524 -5.818 13.886 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.373 -6.213 15.072 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.077 -4.645 15.536 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.203 -6.038 16.637 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.895 -8.143 14.445 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.722 -7.996 16.014 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.660 -7.927 14.504 1.00 0.00 H new ATOM 1120 N TYR A 92 -12.020 -7.281 16.491 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.158 -8.176 16.526 1.00 0.00 C ATOM 1122 C TYR A 92 -14.418 -7.403 16.855 1.00 0.00 C ATOM 1123 O TYR A 92 -15.459 -7.630 16.254 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.936 -9.285 17.557 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.192 -10.115 17.682 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.518 -11.051 16.693 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -15.030 -9.946 18.790 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.684 -11.818 16.813 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.195 -10.713 18.910 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.522 -11.649 17.921 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.670 -12.405 18.039 1.00 0.00 O ATOM 0 H TYR A 92 -11.305 -7.480 17.190 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.270 -8.634 15.543 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.099 -9.915 17.255 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.676 -8.852 18.523 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.871 -11.182 15.838 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.778 -9.224 19.553 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.936 -12.540 16.050 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.842 -10.583 19.765 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.137 -12.164 18.866 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.312 -6.490 17.814 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.455 -5.679 18.218 1.00 0.00 C ATOM 1143 C GLU A 93 -15.793 -4.643 17.150 1.00 0.00 C ATOM 1144 O GLU A 93 -16.963 -4.343 16.910 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.154 -4.978 19.543 1.00 0.00 C ATOM 1146 CG GLU A 93 -14.950 -6.027 20.639 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.262 -6.751 20.925 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.280 -6.314 20.413 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.230 -7.732 21.650 1.00 0.00 O ATOM 0 H GLU A 93 -13.451 -6.293 18.324 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.315 -6.337 18.343 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.262 -4.360 19.445 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.975 -4.313 19.810 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.190 -6.744 20.329 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.585 -5.548 21.548 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.759 -4.096 16.516 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.959 -3.093 15.476 1.00 0.00 C ATOM 1158 C GLN A 94 -15.681 -3.690 14.274 1.00 0.00 C ATOM 1159 O GLN A 94 -16.711 -3.176 13.840 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.610 -2.525 15.030 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.140 -1.469 16.032 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.769 -0.940 15.624 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -11.185 -0.035 16.360 1.00 0.00 O flip ATOM 1164 NE2 GLN A 94 -11.217 -1.360 14.607 1.00 0.00 N flip ATOM 0 H GLN A 94 -13.783 -4.328 16.702 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.574 -2.294 15.890 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.873 -3.325 14.958 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.700 -2.084 14.037 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.858 -0.650 16.074 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.090 -1.900 17.032 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.676 -2.068 14.033 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.301 -1.000 14.338 1.00 0.00 H new ATOM 1173 N ARG A 95 -15.141 -4.783 13.748 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.745 -5.446 12.597 1.00 0.00 C ATOM 1175 C ARG A 95 -17.049 -6.127 12.995 1.00 0.00 C ATOM 1176 O ARG A 95 -17.814 -6.574 12.141 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.779 -6.479 12.018 1.00 0.00 C ATOM 1178 CG ARG A 95 -13.722 -5.771 11.171 1.00 0.00 C ATOM 1179 CD ARG A 95 -12.717 -6.797 10.642 1.00 0.00 C ATOM 1180 NE ARG A 95 -11.693 -6.140 9.837 1.00 0.00 N ATOM 1181 CZ ARG A 95 -11.885 -5.896 8.545 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -10.954 -5.305 7.847 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -13.004 -6.248 7.973 1.00 0.00 N ATOM 0 H ARG A 95 -14.292 -5.227 14.097 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.960 -4.692 11.840 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -14.301 -7.037 12.823 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -15.324 -7.201 11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -14.197 -5.250 10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -13.208 -5.018 11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.251 -7.322 11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.234 -7.546 10.043 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.814 -5.863 10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.079 -5.030 8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.101 -5.118 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.732 -6.711 8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.151 -6.060 6.981 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.296 -6.200 14.298 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.519 -6.816 14.803 1.00 0.00 C ATOM 1199 C LEU A 96 -19.695 -5.854 14.702 1.00 0.00 C ATOM 1200 O LEU A 96 -20.827 -6.266 14.450 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.331 -7.256 16.255 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.646 -7.791 16.812 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.155 -8.921 15.917 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.414 -8.327 18.226 1.00 0.00 C ATOM 0 H LEU A 96 -16.671 -5.843 15.020 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.734 -7.691 14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.562 -8.026 16.314 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.987 -6.415 16.857 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.385 -6.990 16.841 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.095 -9.304 16.314 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.315 -8.542 14.908 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.418 -9.724 15.890 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.352 -8.711 18.628 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.677 -9.130 18.194 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.047 -7.523 18.864 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.424 -4.572 14.922 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.471 -3.560 14.869 1.00 0.00 C ATOM 1218 C ALA A 97 -20.723 -3.124 13.431 1.00 0.00 C ATOM 1219 O ALA A 97 -21.828 -2.708 13.084 1.00 0.00 O ATOM 1220 CB ALA A 97 -20.065 -2.345 15.706 1.00 0.00 C ATOM 0 H ALA A 97 -18.495 -4.211 15.137 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.387 -3.992 15.272 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.853 -1.593 15.661 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.913 -2.651 16.741 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.139 -1.925 15.312 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.690 -3.219 12.601 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 -20.609 -3.865 10.418 1.00 0.00 C ATOM 1229 O HIS A 98 -20.296 -5.055 10.444 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.422 -2.679 10.580 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.764 -1.436 11.115 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -17.074 -1.424 12.317 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -17.681 -0.157 10.622 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -16.611 -0.175 12.506 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -16.953 0.638 11.502 1.00 0.00 N ATOM 0 H HIS A 98 -18.767 -3.560 12.870 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.337 -1.875 11.156 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -17.813 -3.553 10.810 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.502 -2.623 9.494 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -16.941 -2.218 12.944 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.115 0.181 9.692 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -16.033 0.133 13.365 1.00 0.00 H new ATOM 1343 N THR A 105 -17.843 -13.257 2.428 1.00 0.00 N ATOM 1344 CA THR A 105 -17.372 -13.960 3.615 1.00 0.00 C ATOM 1345 C THR A 105 -16.211 -14.885 3.267 1.00 0.00 C ATOM 1346 O THR A 105 -15.966 -15.179 2.096 1.00 0.00 O ATOM 1347 CB THR A 105 -18.511 -14.777 4.226 1.00 0.00 C ATOM 1348 OG1 THR A 105 -19.130 -15.556 3.211 1.00 0.00 O ATOM 1349 CG2 THR A 105 -19.542 -13.834 4.848 1.00 0.00 C ATOM 0 HA THR A 105 -17.028 -13.220 4.337 1.00 0.00 H new ATOM 0 HB THR A 105 -18.113 -15.435 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 105 -19.050 -15.095 2.350 1.00 0.00 H new ATOM 0 HG21 THR A 105 -20.353 -14.418 5.283 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.066 -13.237 5.626 1.00 0.00 H new ATOM 0 HG23 THR A 105 -19.942 -13.174 4.078 1.00 0.00 H new ATOM 1357 N THR A 106 -15.500 -15.347 4.292 1.00 0.00 N ATOM 1358 CA THR A 106 -14.369 -16.244 4.081 1.00 0.00 C ATOM 1359 C THR A 106 -14.245 -17.232 5.241 1.00 0.00 C ATOM 1360 O THR A 106 -14.765 -16.994 6.333 1.00 0.00 O ATOM 1361 CB THR A 106 -13.069 -15.427 3.940 1.00 0.00 C ATOM 1362 OG1 THR A 106 -13.253 -14.146 4.518 1.00 0.00 O ATOM 1363 CG2 THR A 106 -12.716 -15.266 2.459 1.00 0.00 C ATOM 0 H THR A 106 -15.685 -15.117 5.268 1.00 0.00 H new ATOM 0 HA THR A 106 -14.537 -16.807 3.163 1.00 0.00 H new ATOM 0 HB THR A 106 -12.260 -15.949 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.272 -13.468 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.797 -14.688 2.365 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.574 -16.249 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.525 -14.746 1.946 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.580 -18.337 5.020 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.392 -19.381 6.066 1.00 0.00 C ATOM 1373 C PRO A 107 -12.403 -18.948 7.146 1.00 0.00 C ATOM 1374 O PRO A 107 -12.587 -19.247 8.326 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.859 -20.584 5.285 1.00 0.00 C ATOM 1376 CG PRO A 107 -12.214 -20.017 4.064 1.00 0.00 C ATOM 1377 CD PRO A 107 -12.933 -18.708 3.749 1.00 0.00 C ATOM 0 HA PRO A 107 -14.317 -19.592 6.603 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 -13.665 -21.268 5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.152 -19.843 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.293 -20.712 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.234 -17.939 3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.665 -18.837 2.952 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.352 -18.245 6.735 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.340 -17.783 7.678 1.00 0.00 C ATOM 1387 C GLU A 108 -10.916 -16.724 8.609 1.00 0.00 C ATOM 1388 O GLU A 108 -10.768 -16.808 9.828 1.00 0.00 O ATOM 1389 CB GLU A 108 -9.145 -17.200 6.920 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.446 -18.308 6.123 1.00 0.00 C ATOM 1391 CD GLU A 108 -9.105 -18.466 4.757 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -10.105 -17.807 4.524 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.600 -19.244 3.964 1.00 0.00 O ATOM 0 H GLU A 108 -11.180 -17.985 5.764 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.013 -18.635 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.479 -16.411 6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.444 -16.746 7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.390 -18.068 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.497 -19.249 6.671 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.579 -15.731 8.027 1.00 0.00 N ATOM 1401 CA GLU A 109 -12.173 -14.661 8.817 1.00 0.00 C ATOM 1402 C GLU A 109 -13.261 -15.218 9.730 1.00 0.00 C ATOM 1403 O GLU A 109 -13.467 -14.728 10.840 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.770 -13.593 7.892 1.00 0.00 C ATOM 1405 CG GLU A 109 -14.024 -14.136 7.201 1.00 0.00 C ATOM 1406 CD GLU A 109 -14.649 -13.053 6.328 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -13.909 -12.296 5.723 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -15.867 -13.002 6.278 1.00 0.00 O ATOM 0 H GLU A 109 -11.718 -15.645 7.020 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.394 -14.209 9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.020 -12.701 8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.034 -13.295 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.767 -15.002 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.743 -14.473 7.947 1.00 0.00 H new ATOM 1415 N ASP A 110 -13.965 -16.238 9.244 1.00 0.00 N ATOM 1416 CA ASP A 110 -15.039 -16.847 10.019 1.00 0.00 C ATOM 1417 C ASP A 110 -14.480 -17.537 11.257 1.00 0.00 C ATOM 1418 O ASP A 110 -14.999 -17.365 12.361 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.794 -17.866 9.154 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.869 -17.166 8.322 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.249 -16.066 8.689 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.294 -17.739 7.332 1.00 0.00 O ATOM 0 H ASP A 110 -13.812 -16.656 8.326 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.726 -16.062 10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -15.095 -18.383 8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.253 -18.623 9.790 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.422 -18.317 11.067 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.805 -19.029 12.178 1.00 0.00 C ATOM 1429 C GLU A 111 -12.337 -18.052 13.250 1.00 0.00 C ATOM 1430 O GLU A 111 -12.655 -18.212 14.429 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.607 -19.838 11.676 1.00 0.00 C ATOM 1432 CG GLU A 111 -11.002 -20.630 12.836 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.831 -21.471 12.340 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.396 -21.245 11.222 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.386 -22.328 13.084 1.00 0.00 O ATOM 0 H GLU A 111 -12.977 -18.471 10.162 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.548 -19.699 12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.920 -20.517 10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.859 -19.171 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.665 -19.948 13.616 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.760 -21.274 13.281 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.590 -17.036 12.834 1.00 0.00 N ATOM 1443 CA LEU A 112 -11.083 -16.046 13.774 1.00 0.00 C ATOM 1444 C LEU A 112 -12.231 -15.449 14.582 1.00 0.00 C ATOM 1445 O LEU A 112 -12.122 -15.275 15.794 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.363 -14.928 13.013 1.00 0.00 C ATOM 1447 CG LEU A 112 -9.865 -13.868 13.999 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -8.938 -14.521 15.028 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -9.100 -12.783 13.238 1.00 0.00 C ATOM 0 H LEU A 112 -11.324 -16.877 11.862 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.384 -16.535 14.453 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.524 -15.339 12.452 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.039 -14.475 12.288 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.717 -13.421 14.511 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.584 -13.766 15.730 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.483 -15.293 15.571 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.086 -14.970 14.517 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.745 -12.028 13.940 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.249 -13.230 12.725 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.761 -12.317 12.507 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.328 -15.135 13.903 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.485 -14.560 14.575 1.00 0.00 C ATOM 1463 C ASP A 113 -15.006 -15.508 15.650 1.00 0.00 C ATOM 1464 O ASP A 113 -15.317 -15.089 16.764 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.596 -14.283 13.553 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.378 -12.924 12.889 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.469 -12.225 13.306 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -16.121 -12.604 11.977 1.00 0.00 O ATOM 0 H ASP A 113 -13.440 -15.267 12.898 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.182 -13.625 15.047 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.607 -15.068 12.796 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.567 -14.302 14.047 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.095 -16.791 15.311 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.582 -17.785 16.259 1.00 0.00 C ATOM 1475 C GLN A 114 -14.655 -17.874 17.467 1.00 0.00 C ATOM 1476 O GLN A 114 -15.110 -17.894 18.611 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.661 -19.155 15.581 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.255 -20.176 16.554 1.00 0.00 C ATOM 1479 CD GLN A 114 -17.693 -19.799 16.890 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -18.439 -19.354 16.017 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -18.130 -19.951 18.110 1.00 0.00 N ATOM 0 H GLN A 114 -14.839 -17.163 14.396 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.574 -17.483 16.595 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -16.276 -19.093 14.683 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.668 -19.474 15.265 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.225 -21.172 16.112 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.658 -20.213 17.465 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.510 -20.320 18.831 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -19.091 -19.701 18.342 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.354 -17.921 17.207 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.378 -18.015 18.282 1.00 0.00 C ATOM 1492 C LEU A 115 -12.499 -16.813 19.212 1.00 0.00 C ATOM 1493 O LEU A 115 -12.436 -16.955 20.433 1.00 0.00 O ATOM 1494 CB LEU A 115 -10.968 -18.059 17.696 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.772 -19.357 16.910 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.424 -19.321 16.184 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.805 -20.553 17.871 1.00 0.00 C ATOM 0 H LEU A 115 -12.954 -17.896 16.269 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.569 -18.926 18.849 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.809 -17.201 17.043 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.230 -17.993 18.495 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.574 -19.459 16.179 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.287 -20.247 15.625 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.404 -18.475 15.496 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.621 -19.215 16.913 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.665 -21.476 17.308 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.006 -20.451 18.606 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.767 -20.582 18.383 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.681 -15.634 18.630 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.818 -14.418 19.423 1.00 0.00 C ATOM 1511 C CYS A 116 -14.070 -14.485 20.293 1.00 0.00 C ATOM 1512 O CYS A 116 -14.053 -14.077 21.454 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.904 -13.202 18.499 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.333 -12.996 17.626 1.00 0.00 S ATOM 0 H CYS A 116 -12.737 -15.494 17.621 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.944 -14.325 20.068 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.716 -13.332 17.783 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.131 -12.307 19.078 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.253 -13.868 16.665 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.154 -15.003 19.725 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.407 -15.118 20.462 1.00 0.00 C ATOM 1522 C ASP A 117 -16.232 -16.024 21.676 1.00 0.00 C ATOM 1523 O ASP A 117 -16.683 -15.698 22.775 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 -18.793 -15.864 20.335 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -18.869 -15.350 21.438 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.691 -16.510 19.820 1.00 0.00 O ATOM 0 H ASP A 117 -15.191 -15.347 18.765 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.700 -14.125 20.802 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.661 -15.024 18.704 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.176 -16.649 19.145 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.577 -17.162 21.472 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.355 -18.107 22.559 1.00 0.00 C ATOM 1534 C GLU A 118 -14.494 -17.474 23.648 1.00 0.00 C ATOM 1535 O GLU A 118 -14.801 -17.580 24.835 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.665 -19.363 22.022 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.667 -20.447 23.102 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.212 -21.775 22.507 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.197 -21.881 21.292 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.888 -22.666 23.274 1.00 0.00 O ATOM 0 H GLU A 118 -15.194 -17.450 20.572 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.320 -18.378 22.987 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.181 -19.721 21.131 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.642 -19.131 21.727 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.006 -20.159 23.919 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.667 -20.551 23.523 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.420 -16.810 23.234 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.525 -16.156 24.182 1.00 0.00 C ATOM 1549 C TRP A 119 -13.249 -15.029 24.911 1.00 0.00 C ATOM 1550 O TRP A 119 -13.067 -14.835 26.114 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.304 -15.597 23.449 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.515 -14.734 24.380 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.447 -13.384 24.321 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.683 -15.137 25.507 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.627 -12.933 25.339 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.132 -13.975 26.097 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.356 -16.385 26.068 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.286 -14.049 27.205 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.505 -16.462 27.183 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -7.972 -15.297 27.750 1.00 0.00 C ATOM 0 H TRP A 119 -13.149 -16.711 22.256 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.198 -16.894 24.915 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.684 -16.413 23.079 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.621 -15.019 22.581 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -10.951 -12.761 23.597 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.414 -11.950 25.509 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -9.762 -17.289 25.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -7.877 -13.148 27.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.260 -17.425 27.606 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.319 -15.363 28.608 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.067 -14.285 24.174 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.814 -13.179 24.758 1.00 0.00 C ATOM 1573 C LYS A 120 -15.763 -13.687 25.838 1.00 0.00 C ATOM 1574 O LYS A 120 -15.960 -13.033 26.862 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 -17.035 -10.461 23.172 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.700 -9.219 23.769 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.412 -8.471 22.694 1.00 0.00 N ATOM 0 H LYS A 120 -14.228 -14.427 23.177 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.106 -12.485 25.211 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.948 -12.156 22.857 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.358 -13.120 23.245 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.982 -11.519 25.057 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.544 -10.571 24.733 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.343 -10.171 22.381 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.787 -11.106 22.717 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.402 -9.510 24.551 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.950 -8.580 24.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.733 -7.554 23.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.766 -8.315 21.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.234 -9.022 22.373 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.354 -14.854 25.598 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.284 -15.441 26.558 1.00 0.00 C ATOM 1595 C ALA A 121 -16.566 -15.798 27.852 1.00 0.00 C ATOM 1596 O ALA A 121 -17.063 -15.529 28.946 1.00 0.00 O ATOM 1597 CB ALA A 121 -17.919 -16.698 25.967 1.00 0.00 C ATOM 0 H ALA A 121 -16.207 -15.408 24.754 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.060 -14.707 26.776 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.612 -17.130 26.689 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.459 -16.439 25.056 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -17.140 -17.423 25.733 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.388 -16.390 27.725 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.617 -16.760 28.897 1.00 0.00 C ATOM 1605 C ARG A 122 -14.314 -15.522 29.737 1.00 0.00 C ATOM 1606 O ARG A 122 -14.403 -15.555 30.964 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.308 -17.460 28.462 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.100 -16.921 29.282 1.00 0.00 C ATOM 1609 CD ARG A 122 -11.064 -17.995 29.511 1.00 0.00 C ATOM 1610 NE ARG A 122 -10.295 -17.702 30.689 1.00 0.00 N ATOM 1611 CZ ARG A 122 -9.520 -16.623 30.752 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -8.824 -16.382 31.829 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -9.457 -15.805 29.737 1.00 0.00 N ATOM 0 H ARG A 122 -14.951 -16.621 26.833 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.197 -17.453 29.506 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.400 -18.537 28.605 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -13.136 -17.293 27.399 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.646 -16.082 28.754 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.451 -16.541 30.242 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -11.552 -18.964 29.618 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.405 -18.064 28.646 1.00 0.00 H new ATOM 0 HE ARG A 122 -10.344 -18.332 31.490 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -8.874 -17.021 32.622 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -8.230 -15.555 31.878 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -10.002 -15.993 28.896 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -8.863 -14.977 29.785 1.00 0.00 H new ATOM 1627 N LEU A 123 -13.907 -14.453 29.073 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.552 -13.231 29.773 1.00 0.00 C ATOM 1629 C LEU A 123 -14.750 -12.697 30.536 1.00 0.00 C ATOM 1630 O LEU A 123 -14.617 -12.223 31.661 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.050 -12.182 28.781 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.674 -12.590 28.241 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.254 -11.622 27.127 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.638 -12.550 29.378 1.00 0.00 C ATOM 0 H LEU A 123 -13.815 -14.406 28.058 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.755 -13.453 30.483 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.757 -12.079 27.958 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -12.985 -11.209 29.269 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.728 -13.602 27.841 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.276 -11.912 26.743 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.986 -11.657 26.320 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.202 -10.609 27.526 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.661 -12.840 28.991 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.582 -11.540 29.784 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.936 -13.241 30.166 1.00 0.00 H new ATOM 1646 N SER A 124 -15.915 -12.782 29.914 1.00 0.00 N ATOM 1647 CA SER A 124 -17.142 -12.315 30.542 1.00 0.00 C ATOM 1648 C SER A 124 -17.504 -13.186 31.742 1.00 0.00 C ATOM 1649 O SER A 124 -17.946 -12.684 32.775 1.00 0.00 O ATOM 1650 CB SER A 124 -18.286 -12.327 29.530 1.00 0.00 C ATOM 1651 OG SER A 124 -19.523 -12.206 30.219 1.00 0.00 O ATOM 0 H SER A 124 -16.038 -13.169 28.978 1.00 0.00 H new ATOM 0 HA SER A 124 -16.980 -11.295 30.891 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.169 -11.507 28.822 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.267 -13.251 28.953 1.00 0.00 H new ATOM 0 HG SER A 124 -20.259 -12.212 29.572 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.322 -14.495 31.592 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.641 -15.430 32.665 1.00 0.00 C ATOM 1659 C GLU A 125 -16.820 -15.112 33.911 1.00 0.00 C ATOM 1660 O GLU A 125 -17.333 -15.142 35.029 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.353 -16.862 32.212 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.749 -17.838 33.322 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.478 -19.271 32.877 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -16.397 -19.519 32.369 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -18.357 -20.100 33.050 1.00 0.00 O ATOM 0 H GLU A 125 -16.958 -14.929 30.744 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.700 -15.333 32.906 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -17.909 -17.085 31.301 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.295 -16.974 31.975 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.186 -17.618 34.229 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -18.805 -17.717 33.564 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.546 -14.802 33.707 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.660 -14.468 34.816 1.00 0.00 C ATOM 1674 C LEU A 126 -15.076 -13.150 35.457 1.00 0.00 C ATOM 1675 O LEU A 126 -14.964 -12.975 36.670 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.215 -14.379 34.329 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.735 -15.770 33.906 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.353 -15.658 33.264 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.657 -16.691 35.133 1.00 0.00 C ATOM 0 H LEU A 126 -15.104 -14.775 32.788 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.734 -15.257 35.564 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.144 -13.687 33.490 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.576 -13.987 35.120 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.439 -16.189 33.187 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.011 -16.648 32.963 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.410 -15.011 32.388 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.651 -15.235 33.983 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.315 -17.679 34.825 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.957 -16.274 35.857 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.644 -16.774 35.589 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.544 -12.220 34.631 1.00 0.00 N ATOM 1692 CA GLN A 127 -15.973 -10.916 35.126 1.00 0.00 C ATOM 1693 C GLN A 127 -17.196 -11.051 36.024 1.00 0.00 C ATOM 1694 O GLN A 127 -17.282 -10.410 37.072 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.298 -9.993 33.951 1.00 0.00 C ATOM 1696 CG GLN A 127 -15.001 -9.538 33.279 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.319 -8.717 32.034 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.486 -8.454 31.744 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.344 -8.295 31.276 1.00 0.00 N ATOM 0 H GLN A 127 -15.636 -12.343 33.623 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.159 -10.489 35.711 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -16.929 -10.514 33.231 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.861 -9.128 34.301 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.410 -8.943 33.976 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.398 -10.405 33.009 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.378 -8.514 31.519 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.548 -7.746 30.441 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.138 -11.891 35.610 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.354 -12.103 36.386 1.00 0.00 C ATOM 1710 C GLN A 128 -19.010 -12.574 37.795 1.00 0.00 C ATOM 1711 O GLN A 128 -19.660 -12.188 38.766 1.00 0.00 O ATOM 1712 CB GLN A 128 -20.242 -13.140 35.695 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.791 -12.555 34.392 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.613 -13.607 33.655 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -21.079 -14.638 33.245 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -22.888 -13.408 33.461 1.00 0.00 N ATOM 0 H GLN A 128 -18.084 -12.433 34.748 1.00 0.00 H new ATOM 0 HA GLN A 128 -19.893 -11.158 36.453 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.670 -14.044 35.487 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.063 -13.427 36.352 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.409 -11.683 34.607 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -19.969 -12.216 33.761 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -23.328 -12.553 33.801 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -23.444 -14.107 32.969 1.00 0.00 H new ATOM 1725 N TYR A 129 -17.982 -13.408 37.898 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.552 -13.921 39.195 1.00 0.00 C ATOM 1727 C TYR A 129 -16.992 -12.795 40.059 1.00 0.00 C ATOM 1728 O TYR A 129 -17.207 -12.764 41.270 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.487 -15.004 39.003 1.00 0.00 C ATOM 1730 CG TYR A 129 -17.158 -16.327 38.723 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -18.074 -16.440 37.670 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -16.865 -17.442 39.518 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -18.695 -17.668 37.412 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -17.486 -18.669 39.260 1.00 0.00 C ATOM 1735 CZ TYR A 129 -18.402 -18.782 38.206 1.00 0.00 C ATOM 1736 OH TYR A 129 -19.015 -19.992 37.952 1.00 0.00 O ATOM 0 H TYR A 129 -17.433 -13.742 37.106 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.417 -14.351 39.699 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -15.827 -14.737 38.178 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -15.866 -15.081 39.896 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -18.301 -15.580 37.057 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -16.159 -17.355 40.331 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -19.401 -17.755 36.599 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -17.259 -19.529 39.873 1.00 0.00 H new ATOM 0 HH TYR A 129 -18.699 -20.660 38.595 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.272 -11.875 39.426 1.00 0.00 N ATOM 1747 CA ARG A 130 -15.683 -10.751 40.144 1.00 0.00 C ATOM 1748 C ARG A 130 -16.772 -9.903 40.794 1.00 0.00 C ATOM 1749 O ARG A 130 -16.633 -9.463 41.934 1.00 0.00 O ATOM 1750 CB ARG A 130 -14.864 -9.886 39.184 1.00 0.00 C ATOM 1751 CG ARG A 130 -14.181 -8.762 39.966 1.00 0.00 C ATOM 1752 CD ARG A 130 -13.351 -7.906 39.009 1.00 0.00 C ATOM 1753 NE ARG A 130 -14.218 -7.250 38.037 1.00 0.00 N ATOM 1754 CZ ARG A 130 -14.781 -6.075 38.300 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -15.553 -5.509 37.414 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -14.561 -5.489 39.445 1.00 0.00 N ATOM 0 H ARG A 130 -16.083 -11.885 38.424 1.00 0.00 H new ATOM 0 HA ARG A 130 -15.029 -11.144 40.923 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -14.117 -10.496 38.676 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -15.511 -9.466 38.414 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -14.929 -8.146 40.466 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -13.542 -9.181 40.743 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.792 -7.158 39.571 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.621 -8.529 38.493 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.396 -7.701 37.139 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -15.725 -5.968 36.519 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.985 -4.607 37.616 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -13.957 -5.933 40.137 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -14.993 -4.587 39.648 1.00 0.00 H new ATOM 1770 N GLU A 131 -17.854 -9.674 40.060 1.00 0.00 N ATOM 1771 CA GLU A 131 -18.959 -8.874 40.576 1.00 0.00 C ATOM 1772 C GLU A 131 -19.600 -9.561 41.778 1.00 0.00 C ATOM 1773 O GLU A 131 -19.976 -8.906 42.750 1.00 0.00 O ATOM 1774 CB GLU A 131 -20.010 -8.670 39.484 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.435 -7.780 38.381 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.442 -7.641 37.244 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.517 -8.206 37.359 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -20.123 -6.971 36.276 1.00 0.00 O ATOM 0 H GLU A 131 -17.990 -10.027 39.113 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.568 -7.906 40.889 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.310 -9.632 39.070 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -20.904 -8.212 39.906 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.192 -6.797 38.785 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.506 -8.208 38.005 1.00 0.00 H new