USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 667 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 179:sc= -6.87! (180deg=-6.9!) USER MOD Single : A 48 GLN : amide:sc= -0.867 K(o=-0.87,f=-1.8!) USER MOD Single : A 51 MET CE :methyl 178:sc= -2.74 (180deg=-2.87) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc=-0.00236 (180deg=-0.291) USER MOD Single : A 62 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-5.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 10:sc= -0.777 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.65! C(o=-2.7!,f=-3.6!) USER MOD Single : A 82 ASN : amide:sc= -5.58! K(o=-5.6!,f=-1.8) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -127:sc= 1.12 (180deg=-0.733) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.201 K(o=0.2,f=-4.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.006 -0.941 -12.107 1.00 0.00 N ATOM 143 CA GLU A 10 -8.314 -2.219 -12.020 1.00 0.00 C ATOM 144 C GLU A 10 -9.265 -3.400 -12.195 1.00 0.00 C ATOM 145 O GLU A 10 -10.358 -3.425 -11.631 1.00 0.00 O ATOM 146 CB GLU A 10 -7.568 -2.349 -10.686 1.00 0.00 C ATOM 147 CG GLU A 10 -7.098 -1.025 -10.098 1.00 0.00 C ATOM 148 CD GLU A 10 -5.998 -1.203 -9.070 1.00 0.00 C ATOM 149 OE1 GLU A 10 -4.947 -1.780 -9.418 1.00 0.00 O ATOM 150 OE2 GLU A 10 -6.188 -0.763 -7.916 1.00 0.00 O ATOM 0 HA GLU A 10 -7.594 -2.242 -12.838 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.220 -2.842 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.703 -2.997 -10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.739 -0.382 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.944 -0.516 -9.636 1.00 0.00 H new ATOM 157 N LYS A 11 -8.825 -4.387 -12.976 1.00 0.00 N ATOM 158 CA LYS A 11 -9.616 -5.586 -13.221 1.00 0.00 C ATOM 159 C LYS A 11 -9.735 -6.404 -11.935 1.00 0.00 C ATOM 160 O LYS A 11 -9.590 -5.862 -10.840 1.00 0.00 O ATOM 161 CB LYS A 11 -8.978 -6.427 -14.334 1.00 0.00 C ATOM 162 CG LYS A 11 -8.776 -5.672 -15.638 1.00 0.00 C ATOM 163 CD LYS A 11 -7.801 -6.394 -16.555 1.00 0.00 C ATOM 164 CE LYS A 11 -8.398 -6.639 -17.931 1.00 0.00 C ATOM 165 NZ LYS A 11 -9.430 -7.712 -17.905 1.00 0.00 N ATOM 0 H LYS A 11 -7.922 -4.376 -13.450 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.615 -5.291 -13.543 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.014 -6.799 -13.988 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.606 -7.298 -14.523 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.734 -5.555 -16.144 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.403 -4.670 -15.425 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.890 -5.804 -16.654 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.517 -7.346 -16.107 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.843 -5.716 -18.303 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.605 -6.914 -18.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.813 -7.849 -18.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.000 -8.599 -17.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.199 -7.438 -17.261 1.00 0.00 H new ATOM 179 N ASP A 12 -9.995 -7.704 -12.061 1.00 0.00 N ATOM 180 CA ASP A 12 -10.124 -8.561 -10.889 1.00 0.00 C ATOM 181 C ASP A 12 -9.240 -9.799 -11.001 1.00 0.00 C ATOM 182 O ASP A 12 -9.456 -10.790 -10.303 1.00 0.00 O ATOM 183 CB ASP A 12 -11.585 -8.971 -10.693 1.00 0.00 C ATOM 184 CG ASP A 12 -12.167 -8.441 -9.397 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.003 -9.107 -8.354 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.790 -7.358 -9.427 1.00 0.00 O ATOM 0 H ASP A 12 -10.119 -8.181 -12.954 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.792 -7.992 -10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.178 -8.604 -11.531 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.658 -10.058 -10.703 1.00 0.00 H new ATOM 191 N GLY A 13 -8.246 -9.741 -11.880 1.00 0.00 N ATOM 192 CA GLY A 13 -7.351 -10.871 -12.061 1.00 0.00 C ATOM 193 C GLY A 13 -6.007 -10.672 -11.385 1.00 0.00 C ATOM 194 O GLY A 13 -5.876 -9.850 -10.478 1.00 0.00 O ATOM 0 H GLY A 13 -8.043 -8.934 -12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.823 -11.769 -11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.195 -11.038 -13.127 1.00 0.00 H new ATOM 198 N ALA A 14 -5.010 -11.438 -11.821 1.00 0.00 N ATOM 199 CA ALA A 14 -3.667 -11.357 -11.251 1.00 0.00 C ATOM 200 C ALA A 14 -2.972 -10.046 -11.613 1.00 0.00 C ATOM 201 O ALA A 14 -3.576 -9.152 -12.203 1.00 0.00 O ATOM 202 CB ALA A 14 -2.830 -12.544 -11.708 1.00 0.00 C ATOM 0 H ALA A 14 -5.107 -12.124 -12.570 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.767 -11.384 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.831 -12.473 -11.277 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.302 -13.470 -11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.757 -12.540 -12.796 1.00 0.00 H new ATOM 208 N VAL A 15 -1.681 -9.970 -11.301 1.00 0.00 N ATOM 209 CA VAL A 15 -0.875 -8.800 -11.642 1.00 0.00 C ATOM 210 C VAL A 15 -0.693 -8.689 -13.149 1.00 0.00 C ATOM 211 O VAL A 15 -0.643 -9.704 -13.844 1.00 0.00 O ATOM 212 CB VAL A 15 0.508 -8.826 -10.969 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.319 -10.027 -11.429 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.254 -7.528 -11.243 1.00 0.00 C ATOM 0 H VAL A 15 -1.170 -10.705 -10.812 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.419 -7.932 -11.270 1.00 0.00 H new ATOM 0 HB VAL A 15 0.362 -8.919 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.292 -10.019 -10.937 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.789 -10.944 -11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.458 -9.980 -12.509 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.231 -7.561 -10.761 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.384 -7.403 -12.318 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.682 -6.689 -10.847 1.00 0.00 H new ATOM 224 N GLU A 16 -0.550 -7.473 -13.653 1.00 0.00 N ATOM 225 CA GLU A 16 -0.320 -7.265 -15.074 1.00 0.00 C ATOM 226 C GLU A 16 0.771 -6.218 -15.282 1.00 0.00 C ATOM 227 O GLU A 16 1.144 -5.506 -14.350 1.00 0.00 O ATOM 228 CB GLU A 16 -1.610 -6.853 -15.790 1.00 0.00 C ATOM 229 CG GLU A 16 -2.353 -8.020 -16.420 1.00 0.00 C ATOM 230 CD GLU A 16 -3.146 -7.613 -17.647 1.00 0.00 C ATOM 231 OE1 GLU A 16 -2.591 -6.889 -18.500 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.322 -8.017 -17.754 1.00 0.00 O ATOM 0 H GLU A 16 -0.589 -6.617 -13.100 1.00 0.00 H new ATOM 0 HA GLU A 16 0.012 -8.208 -15.508 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.268 -6.355 -15.078 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.370 -6.125 -16.565 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.638 -8.795 -16.695 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.028 -8.456 -15.684 1.00 0.00 H new ATOM 239 N ALA A 17 1.307 -6.175 -16.501 1.00 0.00 N ATOM 240 CA ALA A 17 2.404 -5.263 -16.856 1.00 0.00 C ATOM 241 C ALA A 17 2.508 -4.071 -15.891 1.00 0.00 C ATOM 242 O ALA A 17 3.435 -4.011 -15.083 1.00 0.00 O ATOM 243 CB ALA A 17 2.237 -4.769 -18.284 1.00 0.00 C ATOM 0 H ALA A 17 0.997 -6.768 -17.271 1.00 0.00 H new ATOM 0 HA ALA A 17 3.332 -5.828 -16.773 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.056 -4.095 -18.534 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.246 -5.619 -18.966 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.289 -4.239 -18.377 1.00 0.00 H new ATOM 249 N GLU A 18 1.581 -3.120 -15.982 1.00 0.00 N ATOM 250 CA GLU A 18 1.625 -1.939 -15.111 1.00 0.00 C ATOM 251 C GLU A 18 0.385 -1.854 -14.219 1.00 0.00 C ATOM 252 O GLU A 18 -0.481 -1.002 -14.417 1.00 0.00 O ATOM 253 CB GLU A 18 1.752 -0.670 -15.953 1.00 0.00 C ATOM 254 CG GLU A 18 2.831 -0.755 -17.022 1.00 0.00 C ATOM 255 CD GLU A 18 4.096 -0.014 -16.637 1.00 0.00 C ATOM 256 OE1 GLU A 18 4.168 1.208 -16.887 1.00 0.00 O ATOM 257 OE2 GLU A 18 5.015 -0.654 -16.086 1.00 0.00 O ATOM 0 H GLU A 18 0.800 -3.138 -16.638 1.00 0.00 H new ATOM 0 HA GLU A 18 2.498 -2.033 -14.464 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.794 -0.463 -16.431 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.969 0.172 -15.296 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.071 -1.802 -17.208 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.445 -0.346 -17.955 1.00 0.00 H new ATOM 264 N ASP A 19 0.300 -2.769 -13.250 1.00 0.00 N ATOM 265 CA ASP A 19 -0.840 -2.836 -12.333 1.00 0.00 C ATOM 266 C ASP A 19 -0.550 -2.195 -10.972 1.00 0.00 C ATOM 267 O ASP A 19 0.496 -1.584 -10.769 1.00 0.00 O ATOM 268 CB ASP A 19 -1.208 -4.298 -12.117 1.00 0.00 C ATOM 269 CG ASP A 19 -1.926 -4.892 -13.304 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.815 -4.324 -14.412 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.604 -5.926 -13.127 1.00 0.00 O ATOM 0 H ASP A 19 1.013 -3.478 -13.080 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.658 -2.277 -12.788 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.303 -4.872 -11.919 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.840 -4.384 -11.233 1.00 0.00 H new ATOM 276 N ARG A 20 -1.495 -2.366 -10.037 1.00 0.00 N ATOM 277 CA ARG A 20 -1.358 -1.840 -8.680 1.00 0.00 C ATOM 278 C ARG A 20 -1.948 -2.824 -7.664 1.00 0.00 C ATOM 279 O ARG A 20 -3.156 -3.056 -7.646 1.00 0.00 O ATOM 280 CB ARG A 20 -2.060 -0.492 -8.551 1.00 0.00 C ATOM 281 CG ARG A 20 -1.247 0.675 -9.086 1.00 0.00 C ATOM 282 CD ARG A 20 -0.700 1.546 -7.966 1.00 0.00 C ATOM 283 NE ARG A 20 -0.589 2.945 -8.378 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.523 3.970 -7.533 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.558 3.763 -6.223 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.420 5.207 -8.000 1.00 0.00 N ATOM 0 H ARG A 20 -2.367 -2.869 -10.202 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.296 -1.706 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.010 -0.535 -9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.290 -0.312 -7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.421 0.296 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.870 1.280 -9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.352 1.473 -7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.279 1.177 -7.662 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.560 3.148 -9.377 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.636 2.813 -5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.507 4.553 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.391 5.372 -9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.369 5.994 -7.353 1.00 0.00 H new ATOM 300 N VAL A 21 -1.092 -3.385 -6.814 1.00 0.00 N ATOM 301 CA VAL A 21 -1.524 -4.330 -5.782 1.00 0.00 C ATOM 302 C VAL A 21 -1.791 -3.632 -4.447 1.00 0.00 C ATOM 303 O VAL A 21 -1.415 -2.475 -4.256 1.00 0.00 O ATOM 304 CB VAL A 21 -0.462 -5.422 -5.554 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.284 -6.277 -6.799 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.857 -4.795 -5.137 1.00 0.00 C ATOM 0 H VAL A 21 -0.089 -3.201 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.450 -4.779 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.806 -6.072 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.471 -7.040 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.230 -6.757 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.035 -5.648 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.598 -5.578 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.203 -4.120 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.718 -4.236 -4.212 1.00 0.00 H new ATOM 316 N THR A 22 -2.401 -4.362 -3.512 1.00 0.00 N ATOM 317 CA THR A 22 -2.668 -3.835 -2.178 1.00 0.00 C ATOM 318 C THR A 22 -1.998 -4.738 -1.148 1.00 0.00 C ATOM 319 O THR A 22 -2.356 -5.906 -1.019 1.00 0.00 O ATOM 320 CB THR A 22 -4.170 -3.762 -1.911 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.801 -2.875 -2.819 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.505 -3.300 -0.508 1.00 0.00 C ATOM 0 H THR A 22 -2.719 -5.320 -3.657 1.00 0.00 H new ATOM 0 HA THR A 22 -2.265 -2.825 -2.107 1.00 0.00 H new ATOM 0 HB THR A 22 -4.536 -4.781 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.762 -2.844 -2.632 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.587 -3.270 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.076 -3.993 0.216 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.093 -2.304 -0.345 1.00 0.00 H new ATOM 330 N ILE A 23 -0.997 -4.218 -0.448 1.00 0.00 N ATOM 331 CA ILE A 23 -0.274 -5.029 0.525 1.00 0.00 C ATOM 332 C ILE A 23 -0.086 -4.334 1.876 1.00 0.00 C ATOM 333 O ILE A 23 -0.045 -3.109 1.966 1.00 0.00 O ATOM 334 CB ILE A 23 1.113 -5.435 -0.024 1.00 0.00 C ATOM 335 CG1 ILE A 23 2.038 -4.220 -0.163 1.00 0.00 C ATOM 336 CG2 ILE A 23 0.969 -6.150 -1.362 1.00 0.00 C ATOM 337 CD1 ILE A 23 1.740 -3.354 -1.368 1.00 0.00 C ATOM 0 H ILE A 23 -0.671 -3.255 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.893 -5.911 0.690 1.00 0.00 H new ATOM 0 HB ILE A 23 1.567 -6.119 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.959 -3.611 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.070 -4.567 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.955 -6.429 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.364 -7.047 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.485 -5.487 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.437 -2.516 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.848 -3.946 -2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.720 -2.975 -1.301 1.00 0.00 H new ATOM 349 N ASP A 24 0.065 -5.151 2.918 1.00 0.00 N ATOM 350 CA ASP A 24 0.299 -4.669 4.278 1.00 0.00 C ATOM 351 C ASP A 24 1.637 -5.229 4.759 1.00 0.00 C ATOM 352 O ASP A 24 1.850 -6.440 4.704 1.00 0.00 O ATOM 353 CB ASP A 24 -0.822 -5.131 5.220 1.00 0.00 C ATOM 354 CG ASP A 24 -1.115 -6.612 5.091 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.543 -7.039 3.998 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.915 -7.347 6.082 1.00 0.00 O ATOM 0 H ASP A 24 0.028 -6.168 2.842 1.00 0.00 H new ATOM 0 HA ASP A 24 0.315 -3.579 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.542 -4.908 6.250 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.728 -4.565 5.006 1.00 0.00 H new ATOM 361 N PHE A 25 2.555 -4.368 5.197 1.00 0.00 N ATOM 362 CA PHE A 25 3.866 -4.854 5.631 1.00 0.00 C ATOM 363 C PHE A 25 4.414 -4.109 6.840 1.00 0.00 C ATOM 364 O PHE A 25 3.892 -3.075 7.246 1.00 0.00 O ATOM 365 CB PHE A 25 4.864 -4.754 4.480 1.00 0.00 C ATOM 366 CG PHE A 25 5.209 -3.348 4.088 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.102 -2.602 4.840 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.626 -2.767 2.973 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.408 -1.300 4.486 1.00 0.00 C ATOM 370 CE2 PHE A 25 4.926 -1.468 2.621 1.00 0.00 C ATOM 371 CZ PHE A 25 5.814 -0.733 3.375 1.00 0.00 C ATOM 0 H PHE A 25 2.423 -3.359 5.261 1.00 0.00 H new ATOM 0 HA PHE A 25 3.728 -5.893 5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.779 -5.276 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.455 -5.271 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.564 -3.041 5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.931 -3.337 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.109 -0.729 5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.463 -1.025 1.751 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.046 0.285 3.098 1.00 0.00 H new ATOM 381 N THR A 26 5.483 -4.663 7.408 1.00 0.00 N ATOM 382 CA THR A 26 6.133 -4.079 8.577 1.00 0.00 C ATOM 383 C THR A 26 7.624 -4.423 8.605 1.00 0.00 C ATOM 384 O THR A 26 7.994 -5.590 8.739 1.00 0.00 O ATOM 385 CB THR A 26 5.466 -4.585 9.856 1.00 0.00 C ATOM 386 OG1 THR A 26 4.060 -4.416 9.795 1.00 0.00 O ATOM 387 CG2 THR A 26 5.961 -3.889 11.105 1.00 0.00 C ATOM 0 H THR A 26 5.919 -5.522 7.074 1.00 0.00 H new ATOM 0 HA THR A 26 6.028 -2.996 8.516 1.00 0.00 H new ATOM 0 HB THR A 26 5.731 -5.640 9.919 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.654 -4.748 10.623 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.447 -4.296 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.034 -4.049 11.210 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.759 -2.821 11.030 1.00 0.00 H new ATOM 395 N GLY A 27 8.472 -3.406 8.477 1.00 0.00 N ATOM 396 CA GLY A 27 9.910 -3.636 8.493 1.00 0.00 C ATOM 397 C GLY A 27 10.705 -2.408 8.890 1.00 0.00 C ATOM 398 O GLY A 27 10.164 -1.309 8.984 1.00 0.00 O ATOM 0 H GLY A 27 8.193 -2.431 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.134 -4.446 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.230 -3.965 7.504 1.00 0.00 H new ATOM 402 N SER A 28 11.999 -2.602 9.130 1.00 0.00 N ATOM 403 CA SER A 28 12.885 -1.507 9.525 1.00 0.00 C ATOM 404 C SER A 28 13.865 -1.165 8.411 1.00 0.00 C ATOM 405 O SER A 28 14.004 -1.906 7.441 1.00 0.00 O ATOM 406 CB SER A 28 13.665 -1.884 10.787 1.00 0.00 C ATOM 407 OG SER A 28 13.729 -3.289 10.947 1.00 0.00 O ATOM 0 H SER A 28 12.460 -3.509 9.058 1.00 0.00 H new ATOM 0 HA SER A 28 12.264 -0.634 9.726 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.674 -1.475 10.730 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.189 -1.437 11.660 1.00 0.00 H new ATOM 0 HG SER A 28 14.234 -3.503 11.759 1.00 0.00 H new ATOM 413 N VAL A 29 14.546 -0.036 8.566 1.00 0.00 N ATOM 414 CA VAL A 29 15.522 0.416 7.586 1.00 0.00 C ATOM 415 C VAL A 29 16.937 0.035 8.006 1.00 0.00 C ATOM 416 O VAL A 29 17.457 -0.997 7.581 1.00 0.00 O ATOM 417 CB VAL A 29 15.425 1.939 7.372 1.00 0.00 C ATOM 418 CG1 VAL A 29 16.228 2.369 6.156 1.00 0.00 C ATOM 419 CG2 VAL A 29 13.970 2.369 7.246 1.00 0.00 C ATOM 0 H VAL A 29 14.438 0.586 9.367 1.00 0.00 H new ATOM 0 HA VAL A 29 15.296 -0.082 6.643 1.00 0.00 H new ATOM 0 HB VAL A 29 15.852 2.434 8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.143 3.448 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.275 2.102 6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.843 1.866 5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 29 13.921 3.447 7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.513 1.863 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.432 2.105 8.157 1.00 0.00 H new ATOM 429 N ASP A 30 17.556 0.854 8.849 1.00 0.00 N ATOM 430 CA ASP A 30 18.902 0.572 9.326 1.00 0.00 C ATOM 431 C ASP A 30 18.833 -0.145 10.669 1.00 0.00 C ATOM 432 O ASP A 30 19.557 0.188 11.606 1.00 0.00 O ATOM 433 CB ASP A 30 19.708 1.870 9.447 1.00 0.00 C ATOM 434 CG ASP A 30 20.900 1.895 8.509 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.792 1.033 8.660 1.00 0.00 O ATOM 436 OD2 ASP A 30 20.939 2.774 7.623 1.00 0.00 O ATOM 0 H ASP A 30 17.148 1.715 9.214 1.00 0.00 H new ATOM 0 HA ASP A 30 19.406 -0.075 8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.060 2.719 9.231 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.054 1.986 10.474 1.00 0.00 H new ATOM 441 N GLY A 31 17.931 -1.121 10.758 1.00 0.00 N ATOM 442 CA GLY A 31 17.757 -1.857 11.991 1.00 0.00 C ATOM 443 C GLY A 31 16.608 -1.305 12.812 1.00 0.00 C ATOM 444 O GLY A 31 16.169 -1.928 13.779 1.00 0.00 O ATOM 0 H GLY A 31 17.319 -1.412 9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.572 -2.907 11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.676 -1.813 12.575 1.00 0.00 H new ATOM 448 N GLU A 32 16.118 -0.134 12.414 1.00 0.00 N ATOM 449 CA GLU A 32 15.012 0.509 13.102 1.00 0.00 C ATOM 450 C GLU A 32 13.914 0.887 12.114 1.00 0.00 C ATOM 451 O GLU A 32 14.181 1.465 11.061 1.00 0.00 O ATOM 452 CB GLU A 32 15.502 1.751 13.848 1.00 0.00 C ATOM 453 CG GLU A 32 16.147 2.794 12.950 1.00 0.00 C ATOM 454 CD GLU A 32 15.742 4.208 13.318 1.00 0.00 C ATOM 455 OE1 GLU A 32 15.520 4.469 14.520 1.00 0.00 O ATOM 456 OE2 GLU A 32 15.646 5.056 12.406 1.00 0.00 O ATOM 0 H GLU A 32 16.475 0.388 11.614 1.00 0.00 H new ATOM 0 HA GLU A 32 14.600 -0.195 13.825 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.660 2.206 14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.221 1.446 14.609 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.231 2.702 13.013 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.870 2.598 11.914 1.00 0.00 H new ATOM 463 N GLU A 33 12.682 0.548 12.460 1.00 0.00 N ATOM 464 CA GLU A 33 11.538 0.839 11.619 1.00 0.00 C ATOM 465 C GLU A 33 11.217 2.319 11.656 1.00 0.00 C ATOM 466 O GLU A 33 10.897 2.870 12.709 1.00 0.00 O ATOM 467 CB GLU A 33 10.328 0.023 12.075 1.00 0.00 C ATOM 468 CG GLU A 33 10.596 -1.470 12.149 1.00 0.00 C ATOM 469 CD GLU A 33 9.334 -2.281 12.370 1.00 0.00 C ATOM 470 OE1 GLU A 33 8.232 -1.736 12.149 1.00 0.00 O ATOM 471 OE2 GLU A 33 9.448 -3.460 12.763 1.00 0.00 O ATOM 0 H GLU A 33 12.450 0.066 13.328 1.00 0.00 H new ATOM 0 HA GLU A 33 11.781 0.563 10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.011 0.376 13.056 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.500 0.202 11.389 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.075 -1.795 11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.298 -1.669 12.959 1.00 0.00 H new ATOM 478 N PHE A 34 11.339 2.966 10.508 1.00 0.00 N ATOM 479 CA PHE A 34 11.100 4.404 10.392 1.00 0.00 C ATOM 480 C PHE A 34 9.616 4.739 10.245 1.00 0.00 C ATOM 481 O PHE A 34 8.770 4.168 10.932 1.00 0.00 O ATOM 482 CB PHE A 34 11.926 4.951 9.209 1.00 0.00 C ATOM 483 CG PHE A 34 11.403 4.602 7.831 1.00 0.00 C ATOM 484 CD1 PHE A 34 10.957 3.321 7.524 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.364 5.570 6.838 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.484 3.021 6.259 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.892 5.271 5.573 1.00 0.00 C ATOM 488 CZ PHE A 34 10.453 3.996 5.284 1.00 0.00 C ATOM 0 H PHE A 34 11.605 2.516 9.632 1.00 0.00 H new ATOM 0 HA PHE A 34 11.421 4.887 11.315 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.976 6.036 9.295 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.946 4.577 9.297 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.980 2.552 8.282 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.707 6.571 7.056 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.139 2.023 6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.867 6.036 4.811 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.086 3.761 4.296 1.00 0.00 H new ATOM 498 N GLU A 35 9.307 5.649 9.339 1.00 0.00 N ATOM 499 CA GLU A 35 7.929 6.054 9.079 1.00 0.00 C ATOM 500 C GLU A 35 7.156 4.929 8.399 1.00 0.00 C ATOM 501 O GLU A 35 6.110 4.496 8.882 1.00 0.00 O ATOM 502 CB GLU A 35 7.898 7.301 8.193 1.00 0.00 C ATOM 503 CG GLU A 35 8.485 8.536 8.854 1.00 0.00 C ATOM 504 CD GLU A 35 9.309 9.371 7.894 1.00 0.00 C ATOM 505 OE1 GLU A 35 10.366 8.885 7.439 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.896 10.512 7.597 1.00 0.00 O ATOM 0 H GLU A 35 9.998 6.129 8.762 1.00 0.00 H new ATOM 0 HA GLU A 35 7.458 6.280 10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.447 7.096 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.866 7.508 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.678 9.145 9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.109 8.233 9.695 1.00 0.00 H new ATOM 513 N GLY A 36 7.686 4.461 7.270 1.00 0.00 N ATOM 514 CA GLY A 36 7.043 3.388 6.532 1.00 0.00 C ATOM 515 C GLY A 36 7.340 2.020 7.112 1.00 0.00 C ATOM 516 O GLY A 36 7.079 1.002 6.473 1.00 0.00 O ATOM 0 H GLY A 36 8.550 4.807 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.965 3.550 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.374 3.418 5.494 1.00 0.00 H new ATOM 520 N GLY A 37 7.884 1.992 8.327 1.00 0.00 N ATOM 521 CA GLY A 37 8.199 0.733 8.963 1.00 0.00 C ATOM 522 C GLY A 37 6.985 -0.164 9.131 1.00 0.00 C ATOM 523 O GLY A 37 7.123 -1.336 9.479 1.00 0.00 O ATOM 0 H GLY A 37 8.110 2.820 8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.951 0.211 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.640 0.926 9.941 1.00 0.00 H new ATOM 527 N LYS A 38 5.795 0.379 8.881 1.00 0.00 N ATOM 528 CA LYS A 38 4.568 -0.393 9.003 1.00 0.00 C ATOM 529 C LYS A 38 3.484 0.150 8.078 1.00 0.00 C ATOM 530 O LYS A 38 3.114 1.322 8.149 1.00 0.00 O ATOM 531 CB LYS A 38 4.075 -0.389 10.451 1.00 0.00 C ATOM 532 CG LYS A 38 3.822 1.003 11.010 1.00 0.00 C ATOM 533 CD LYS A 38 2.503 1.071 11.764 1.00 0.00 C ATOM 534 CE LYS A 38 1.316 1.085 10.812 1.00 0.00 C ATOM 535 NZ LYS A 38 0.020 1.188 11.539 1.00 0.00 N ATOM 0 H LYS A 38 5.658 1.348 8.594 1.00 0.00 H new ATOM 0 HA LYS A 38 4.787 -1.419 8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.154 -0.968 10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.811 -0.893 11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.638 1.282 11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.814 1.727 10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.422 0.216 12.435 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.483 1.967 12.385 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.413 1.924 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.323 0.176 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.763 1.194 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.085 0.374 12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.002 2.068 12.093 1.00 0.00 H new ATOM 549 N ALA A 39 2.979 -0.718 7.212 1.00 0.00 N ATOM 550 CA ALA A 39 1.932 -0.353 6.269 1.00 0.00 C ATOM 551 C ALA A 39 0.838 -1.411 6.256 1.00 0.00 C ATOM 552 O ALA A 39 1.109 -2.599 6.433 1.00 0.00 O ATOM 553 CB ALA A 39 2.508 -0.175 4.871 1.00 0.00 C ATOM 0 H ALA A 39 3.282 -1.690 7.144 1.00 0.00 H new ATOM 0 HA ALA A 39 1.499 0.595 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.710 0.098 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.261 0.613 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.967 -1.108 4.545 1.00 0.00 H new ATOM 559 N SER A 40 -0.396 -0.978 6.048 1.00 0.00 N ATOM 560 CA SER A 40 -1.526 -1.895 6.013 1.00 0.00 C ATOM 561 C SER A 40 -2.149 -1.935 4.625 1.00 0.00 C ATOM 562 O SER A 40 -2.187 -2.979 3.978 1.00 0.00 O ATOM 563 CB SER A 40 -2.577 -1.481 7.046 1.00 0.00 C ATOM 564 OG SER A 40 -3.770 -2.230 6.889 1.00 0.00 O ATOM 0 H SER A 40 -0.641 0.001 5.901 1.00 0.00 H new ATOM 0 HA SER A 40 -1.161 -2.893 6.256 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.181 -1.628 8.051 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.795 -0.418 6.942 1.00 0.00 H new ATOM 0 HG SER A 40 -4.424 -1.948 7.562 1.00 0.00 H new ATOM 570 N ASP A 41 -2.588 -0.785 4.146 1.00 0.00 N ATOM 571 CA ASP A 41 -3.150 -0.662 2.817 1.00 0.00 C ATOM 572 C ASP A 41 -2.113 -0.031 1.903 1.00 0.00 C ATOM 573 O ASP A 41 -2.257 1.123 1.496 1.00 0.00 O ATOM 574 CB ASP A 41 -4.427 0.184 2.845 1.00 0.00 C ATOM 575 CG ASP A 41 -5.543 -0.482 3.627 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.561 -1.729 3.692 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.398 0.245 4.176 1.00 0.00 O ATOM 0 H ASP A 41 -2.564 0.090 4.670 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.415 -1.651 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.207 1.156 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.761 0.367 1.824 1.00 0.00 H new ATOM 582 N PHE A 42 -1.075 -0.774 1.576 1.00 0.00 N ATOM 583 CA PHE A 42 -0.028 -0.257 0.702 1.00 0.00 C ATOM 584 C PHE A 42 -0.377 -0.526 -0.757 1.00 0.00 C ATOM 585 O PHE A 42 -0.390 -1.673 -1.200 1.00 0.00 O ATOM 586 CB PHE A 42 1.327 -0.890 1.047 1.00 0.00 C ATOM 587 CG PHE A 42 2.498 -0.225 0.372 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.574 1.157 0.297 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.523 -0.979 -0.189 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.644 1.776 -0.322 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.594 -0.363 -0.808 1.00 0.00 C ATOM 592 CZ PHE A 42 4.654 1.015 -0.873 1.00 0.00 C ATOM 0 H PHE A 42 -0.929 -1.731 1.897 1.00 0.00 H new ATOM 0 HA PHE A 42 0.045 0.820 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.472 -0.851 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.308 -1.943 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.787 1.758 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.482 -2.057 -0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.689 2.854 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.384 -0.959 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.492 1.497 -1.355 1.00 0.00 H new ATOM 602 N VAL A 43 -0.662 0.538 -1.502 1.00 0.00 N ATOM 603 CA VAL A 43 -1.006 0.405 -2.905 1.00 0.00 C ATOM 604 C VAL A 43 0.244 0.475 -3.768 1.00 0.00 C ATOM 605 O VAL A 43 0.733 1.557 -4.092 1.00 0.00 O ATOM 606 CB VAL A 43 -1.988 1.501 -3.347 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.442 1.269 -4.783 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.180 1.560 -2.402 1.00 0.00 C ATOM 0 H VAL A 43 -0.660 1.497 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.485 -0.566 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.475 2.462 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.137 2.056 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.576 1.284 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.938 0.301 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.866 2.341 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.696 0.600 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.833 1.781 -1.393 1.00 0.00 H new ATOM 618 N LEU A 44 0.765 -0.690 -4.120 1.00 0.00 N ATOM 619 CA LEU A 44 1.969 -0.772 -4.926 1.00 0.00 C ATOM 620 C LEU A 44 1.634 -0.781 -6.406 1.00 0.00 C ATOM 621 O LEU A 44 0.734 -1.493 -6.842 1.00 0.00 O ATOM 622 CB LEU A 44 2.750 -2.032 -4.572 1.00 0.00 C ATOM 623 CG LEU A 44 4.197 -1.799 -4.151 1.00 0.00 C ATOM 624 CD1 LEU A 44 4.898 -3.125 -3.948 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.936 -0.961 -5.186 1.00 0.00 C ATOM 0 H LEU A 44 0.370 -1.593 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 44 2.578 0.107 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.231 -2.547 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.741 -2.700 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 44 4.198 -1.250 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.931 -2.948 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.386 -3.692 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.883 -3.691 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.966 -0.809 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.929 -1.479 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.442 0.005 -5.292 1.00 0.00 H new ATOM 637 N ALA A 45 2.376 0.005 -7.171 1.00 0.00 N ATOM 638 CA ALA A 45 2.173 0.079 -8.608 1.00 0.00 C ATOM 639 C ALA A 45 3.194 -0.788 -9.333 1.00 0.00 C ATOM 640 O ALA A 45 4.361 -0.419 -9.451 1.00 0.00 O ATOM 641 CB ALA A 45 2.270 1.522 -9.079 1.00 0.00 C ATOM 0 H ALA A 45 3.125 0.601 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 45 1.176 -0.296 -8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.116 1.564 -10.157 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.507 2.120 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.256 1.918 -8.838 1.00 0.00 H new ATOM 647 N MET A 46 2.750 -1.940 -9.819 1.00 0.00 N ATOM 648 CA MET A 46 3.633 -2.853 -10.529 1.00 0.00 C ATOM 649 C MET A 46 4.050 -2.268 -11.870 1.00 0.00 C ATOM 650 O MET A 46 3.525 -2.647 -12.916 1.00 0.00 O ATOM 651 CB MET A 46 2.955 -4.209 -10.724 1.00 0.00 C ATOM 652 CG MET A 46 3.558 -5.303 -9.860 1.00 0.00 C ATOM 653 SD MET A 46 4.917 -6.160 -10.675 1.00 0.00 S ATOM 654 CE MET A 46 6.101 -4.827 -10.831 1.00 0.00 C ATOM 0 H MET A 46 1.786 -2.263 -9.734 1.00 0.00 H new ATOM 0 HA MET A 46 4.530 -2.997 -9.927 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.894 -4.115 -10.494 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.029 -4.499 -11.772 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.915 -4.868 -8.927 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.783 -6.024 -9.600 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.010 -5.201 -11.303 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.675 -4.032 -11.443 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.340 -4.435 -9.842 1.00 0.00 H new ATOM 664 N GLY A 47 5.006 -1.348 -11.820 1.00 0.00 N ATOM 665 CA GLY A 47 5.501 -0.713 -13.028 1.00 0.00 C ATOM 666 C GLY A 47 4.999 0.709 -13.199 1.00 0.00 C ATOM 667 O GLY A 47 4.141 0.975 -14.041 1.00 0.00 O ATOM 0 H GLY A 47 5.450 -1.029 -10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.591 -0.708 -13.009 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.200 -1.305 -13.892 1.00 0.00 H new ATOM 671 N GLN A 48 5.545 1.624 -12.405 1.00 0.00 N ATOM 672 CA GLN A 48 5.165 3.031 -12.476 1.00 0.00 C ATOM 673 C GLN A 48 6.410 3.904 -12.581 1.00 0.00 C ATOM 674 O GLN A 48 6.653 4.537 -13.609 1.00 0.00 O ATOM 675 CB GLN A 48 4.343 3.427 -11.246 1.00 0.00 C ATOM 676 CG GLN A 48 2.858 3.581 -11.532 1.00 0.00 C ATOM 677 CD GLN A 48 2.485 4.990 -11.944 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.343 5.866 -12.051 1.00 0.00 O ATOM 679 NE2 GLN A 48 1.198 5.216 -12.174 1.00 0.00 N ATOM 0 H GLN A 48 6.255 1.416 -11.702 1.00 0.00 H new ATOM 0 HA GLN A 48 4.552 3.182 -13.364 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.479 2.674 -10.470 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.728 4.366 -10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.571 2.888 -12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.290 3.304 -10.643 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.521 4.459 -12.073 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.885 6.146 -12.452 1.00 0.00 H new ATOM 688 N GLY A 49 7.201 3.917 -11.516 1.00 0.00 N ATOM 689 CA GLY A 49 8.423 4.697 -11.509 1.00 0.00 C ATOM 690 C GLY A 49 9.638 3.836 -11.784 1.00 0.00 C ATOM 691 O GLY A 49 10.398 4.096 -12.717 1.00 0.00 O ATOM 0 H GLY A 49 7.018 3.400 -10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.357 5.484 -12.260 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.536 5.188 -10.542 1.00 0.00 H new ATOM 695 N ARG A 50 9.812 2.799 -10.970 1.00 0.00 N ATOM 696 CA ARG A 50 10.931 1.874 -11.117 1.00 0.00 C ATOM 697 C ARG A 50 10.890 0.810 -10.024 1.00 0.00 C ATOM 698 O ARG A 50 11.739 0.786 -9.132 1.00 0.00 O ATOM 699 CB ARG A 50 12.265 2.622 -11.069 1.00 0.00 C ATOM 700 CG ARG A 50 12.527 3.317 -9.743 1.00 0.00 C ATOM 701 CD ARG A 50 13.858 2.894 -9.139 1.00 0.00 C ATOM 702 NE ARG A 50 14.936 2.894 -10.125 1.00 0.00 N ATOM 703 CZ ARG A 50 15.434 1.795 -10.693 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.947 0.597 -10.389 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.417 1.897 -11.575 1.00 0.00 N ATOM 0 H ARG A 50 9.186 2.577 -10.195 1.00 0.00 H new ATOM 0 HA ARG A 50 10.842 1.387 -12.088 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.074 1.918 -11.267 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.285 3.363 -11.868 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.521 4.397 -9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.721 3.086 -9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.115 3.568 -8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.760 1.897 -8.710 1.00 0.00 H new ATOM 0 HE ARG A 50 15.334 3.793 -10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.185 0.512 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.335 -0.238 -10.829 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.791 2.814 -11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.800 1.058 -12.011 1.00 0.00 H new ATOM 719 N MET A 51 9.894 -0.066 -10.100 1.00 0.00 N ATOM 720 CA MET A 51 9.729 -1.135 -9.120 1.00 0.00 C ATOM 721 C MET A 51 11.049 -1.853 -8.855 1.00 0.00 C ATOM 722 O MET A 51 11.582 -2.540 -9.726 1.00 0.00 O ATOM 723 CB MET A 51 8.679 -2.138 -9.598 1.00 0.00 C ATOM 724 CG MET A 51 7.956 -2.848 -8.465 1.00 0.00 C ATOM 725 SD MET A 51 6.320 -2.160 -8.146 1.00 0.00 S ATOM 726 CE MET A 51 6.748 -0.511 -7.597 1.00 0.00 C ATOM 0 H MET A 51 9.185 -0.057 -10.834 1.00 0.00 H new ATOM 0 HA MET A 51 9.394 -0.681 -8.187 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.947 -1.618 -10.216 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.161 -2.882 -10.233 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.860 -3.906 -8.707 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.557 -2.782 -7.558 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.837 0.053 -7.395 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.345 -0.574 -6.687 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.322 -0.006 -8.374 1.00 0.00 H new ATOM 736 N ILE A 52 11.566 -1.693 -7.643 1.00 0.00 N ATOM 737 CA ILE A 52 12.821 -2.334 -7.259 1.00 0.00 C ATOM 738 C ILE A 52 12.646 -3.845 -7.168 1.00 0.00 C ATOM 739 O ILE A 52 11.529 -4.338 -7.022 1.00 0.00 O ATOM 740 CB ILE A 52 13.369 -1.812 -5.907 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.236 -1.377 -4.971 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.335 -0.661 -6.137 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.709 -1.023 -3.577 1.00 0.00 C ATOM 0 H ILE A 52 11.139 -1.127 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 52 13.542 -2.083 -8.037 1.00 0.00 H new ATOM 0 HB ILE A 52 13.902 -2.632 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.728 -0.515 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.502 -2.180 -4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.712 -0.305 -5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.169 -1.003 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.818 0.151 -6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.856 -0.724 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.191 -1.890 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.421 -0.200 -3.633 1.00 0.00 H new ATOM 755 N PRO A 53 13.752 -4.605 -7.239 1.00 0.00 N ATOM 756 CA PRO A 53 13.704 -6.067 -7.150 1.00 0.00 C ATOM 757 C PRO A 53 13.094 -6.534 -5.836 1.00 0.00 C ATOM 758 O PRO A 53 12.715 -7.694 -5.699 1.00 0.00 O ATOM 759 CB PRO A 53 15.172 -6.495 -7.245 1.00 0.00 C ATOM 760 CG PRO A 53 15.959 -5.270 -6.923 1.00 0.00 C ATOM 761 CD PRO A 53 15.128 -4.112 -7.396 1.00 0.00 C ATOM 0 HA PRO A 53 13.081 -6.501 -7.932 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.393 -7.300 -6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.410 -6.865 -8.242 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.153 -5.200 -5.853 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.928 -5.285 -7.422 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.306 -3.217 -6.800 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.348 -3.854 -8.432 1.00 0.00 H new ATOM 769 N GLY A 54 13.006 -5.626 -4.870 1.00 0.00 N ATOM 770 CA GLY A 54 12.440 -5.963 -3.582 1.00 0.00 C ATOM 771 C GLY A 54 10.941 -6.164 -3.639 1.00 0.00 C ATOM 772 O GLY A 54 10.438 -7.250 -3.337 1.00 0.00 O ATOM 0 H GLY A 54 13.319 -4.659 -4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.911 -6.873 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.670 -5.170 -2.870 1.00 0.00 H new ATOM 776 N PHE A 55 10.221 -5.115 -4.027 1.00 0.00 N ATOM 777 CA PHE A 55 8.777 -5.190 -4.122 1.00 0.00 C ATOM 778 C PHE A 55 8.364 -6.052 -5.305 1.00 0.00 C ATOM 779 O PHE A 55 7.464 -6.885 -5.199 1.00 0.00 O ATOM 780 CB PHE A 55 8.165 -3.792 -4.266 1.00 0.00 C ATOM 781 CG PHE A 55 8.188 -2.962 -3.011 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.378 -3.278 -1.929 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.010 -1.852 -2.921 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.387 -2.507 -0.791 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.026 -1.075 -1.780 1.00 0.00 C ATOM 786 CZ PHE A 55 8.211 -1.402 -0.714 1.00 0.00 C ATOM 0 H PHE A 55 10.617 -4.209 -4.278 1.00 0.00 H new ATOM 0 HA PHE A 55 8.406 -5.643 -3.203 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.700 -3.255 -5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.132 -3.895 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.732 -4.142 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.647 -1.591 -3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.750 -2.765 0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.674 -0.213 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.218 -0.794 0.179 1.00 0.00 H new ATOM 796 N GLU A 56 9.035 -5.850 -6.433 1.00 0.00 N ATOM 797 CA GLU A 56 8.750 -6.608 -7.643 1.00 0.00 C ATOM 798 C GLU A 56 8.833 -8.110 -7.378 1.00 0.00 C ATOM 799 O GLU A 56 8.260 -8.911 -8.116 1.00 0.00 O ATOM 800 CB GLU A 56 9.727 -6.216 -8.753 1.00 0.00 C ATOM 801 CG GLU A 56 9.061 -6.017 -10.104 1.00 0.00 C ATOM 802 CD GLU A 56 10.025 -6.190 -11.261 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.907 -7.072 -11.173 1.00 0.00 O ATOM 804 OE2 GLU A 56 9.898 -5.448 -12.256 1.00 0.00 O ATOM 0 H GLU A 56 9.783 -5.164 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 56 7.735 -6.372 -7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.237 -5.295 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.491 -6.988 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.242 -6.728 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.624 -5.019 -10.146 1.00 0.00 H new ATOM 811 N ASP A 57 9.548 -8.488 -6.319 1.00 0.00 N ATOM 812 CA ASP A 57 9.699 -9.894 -5.966 1.00 0.00 C ATOM 813 C ASP A 57 8.471 -10.410 -5.222 1.00 0.00 C ATOM 814 O ASP A 57 7.663 -11.143 -5.788 1.00 0.00 O ATOM 815 CB ASP A 57 10.955 -10.105 -5.114 1.00 0.00 C ATOM 816 CG ASP A 57 11.571 -11.474 -5.321 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.766 -11.867 -6.490 1.00 0.00 O ATOM 818 OD2 ASP A 57 11.862 -12.152 -4.313 1.00 0.00 O ATOM 0 H ASP A 57 10.029 -7.841 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 57 9.802 -10.459 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.690 -9.338 -5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.702 -9.979 -4.061 1.00 0.00 H new ATOM 823 N GLY A 58 8.344 -10.046 -3.947 1.00 0.00 N ATOM 824 CA GLY A 58 7.218 -10.513 -3.158 1.00 0.00 C ATOM 825 C GLY A 58 5.901 -9.977 -3.662 1.00 0.00 C ATOM 826 O GLY A 58 4.967 -10.735 -3.920 1.00 0.00 O ATOM 0 H GLY A 58 8.997 -9.440 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.194 -11.603 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.356 -10.212 -2.119 1.00 0.00 H new ATOM 830 N ILE A 59 5.830 -8.663 -3.803 1.00 0.00 N ATOM 831 CA ILE A 59 4.637 -7.994 -4.277 1.00 0.00 C ATOM 832 C ILE A 59 4.554 -8.041 -5.790 1.00 0.00 C ATOM 833 O ILE A 59 4.095 -7.101 -6.443 1.00 0.00 O ATOM 834 CB ILE A 59 4.628 -6.541 -3.784 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.041 -6.491 -2.312 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.260 -5.917 -3.980 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.533 -6.488 -2.102 1.00 0.00 C ATOM 0 H ILE A 59 6.602 -8.032 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 59 3.765 -8.512 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 59 5.345 -5.966 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.617 -5.597 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.612 -7.348 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.276 -4.887 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.002 -5.931 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.518 -6.484 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.750 -6.451 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.962 -7.394 -2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.967 -5.616 -2.591 1.00 0.00 H new ATOM 849 N LYS A 60 4.939 -9.191 -6.317 1.00 0.00 N ATOM 850 CA LYS A 60 4.840 -9.422 -7.745 1.00 0.00 C ATOM 851 C LYS A 60 3.406 -9.066 -8.128 1.00 0.00 C ATOM 852 O LYS A 60 3.152 -8.306 -9.061 1.00 0.00 O ATOM 853 CB LYS A 60 5.172 -10.873 -8.122 1.00 0.00 C ATOM 854 CG LYS A 60 4.641 -11.917 -7.151 1.00 0.00 C ATOM 855 CD LYS A 60 5.614 -13.077 -7.006 1.00 0.00 C ATOM 856 CE LYS A 60 5.625 -13.953 -8.248 1.00 0.00 C ATOM 857 NZ LYS A 60 6.669 -13.524 -9.220 1.00 0.00 N ATOM 0 H LYS A 60 5.319 -9.972 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 60 5.564 -8.811 -8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.768 -11.079 -9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.255 -10.978 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.470 -11.458 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.678 -12.288 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.617 -12.691 -6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.340 -13.677 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.801 -14.989 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.646 -13.917 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.857 -14.296 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.336 -12.687 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.544 -13.289 -8.709 1.00 0.00 H new ATOM 871 N GLY A 61 2.484 -9.662 -7.376 1.00 0.00 N ATOM 872 CA GLY A 61 1.069 -9.467 -7.588 1.00 0.00 C ATOM 873 C GLY A 61 0.440 -10.718 -8.139 1.00 0.00 C ATOM 874 O GLY A 61 -0.313 -10.686 -9.111 1.00 0.00 O ATOM 0 H GLY A 61 2.706 -10.292 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.589 -9.195 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.910 -8.639 -8.278 1.00 0.00 H new ATOM 878 N HIS A 62 0.774 -11.834 -7.508 1.00 0.00 N ATOM 879 CA HIS A 62 0.261 -13.134 -7.941 1.00 0.00 C ATOM 880 C HIS A 62 -0.462 -13.881 -6.821 1.00 0.00 C ATOM 881 O HIS A 62 -1.181 -14.846 -7.081 1.00 0.00 O ATOM 882 CB HIS A 62 1.405 -13.997 -8.487 1.00 0.00 C ATOM 883 CG HIS A 62 2.322 -14.538 -7.430 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.073 -15.681 -7.600 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.606 -14.090 -6.182 1.00 0.00 C ATOM 886 CE1 HIS A 62 3.777 -15.915 -6.507 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.512 -14.963 -5.631 1.00 0.00 N ATOM 0 H HIS A 62 1.394 -11.871 -6.699 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.468 -12.943 -8.728 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.982 -14.831 -9.047 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.989 -13.404 -9.191 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.196 -13.210 -5.709 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.454 -16.743 -6.356 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.915 -14.888 -4.697 1.00 0.00 H new ATOM 895 N LYS A 63 -0.272 -13.449 -5.581 1.00 0.00 N ATOM 896 CA LYS A 63 -0.916 -14.104 -4.449 1.00 0.00 C ATOM 897 C LYS A 63 -1.825 -13.142 -3.690 1.00 0.00 C ATOM 898 O LYS A 63 -1.428 -12.566 -2.678 1.00 0.00 O ATOM 899 CB LYS A 63 0.134 -14.680 -3.498 1.00 0.00 C ATOM 900 CG LYS A 63 0.703 -16.011 -3.952 1.00 0.00 C ATOM 901 CD LYS A 63 -0.317 -17.126 -3.794 1.00 0.00 C ATOM 902 CE LYS A 63 0.049 -18.340 -4.634 1.00 0.00 C ATOM 903 NZ LYS A 63 -1.045 -18.715 -5.571 1.00 0.00 N ATOM 0 H LYS A 63 0.318 -12.654 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.529 -14.914 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.949 -13.963 -3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.311 -14.803 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.011 -15.941 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.595 -16.245 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.382 -17.415 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.302 -16.763 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.956 -18.130 -5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.270 -19.182 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.757 -19.546 -6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.904 -18.940 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.239 -17.921 -6.214 1.00 0.00 H new ATOM 917 N ALA A 64 -3.057 -13.001 -4.163 1.00 0.00 N ATOM 918 CA ALA A 64 -4.030 -12.144 -3.506 1.00 0.00 C ATOM 919 C ALA A 64 -4.288 -12.615 -2.073 1.00 0.00 C ATOM 920 O ALA A 64 -5.105 -13.507 -1.845 1.00 0.00 O ATOM 921 CB ALA A 64 -5.328 -12.114 -4.298 1.00 0.00 C ATOM 0 H ALA A 64 -3.404 -13.470 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.624 -11.133 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.047 -11.468 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.134 -11.729 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.734 -13.123 -4.369 1.00 0.00 H new ATOM 927 N GLY A 65 -3.591 -12.017 -1.110 1.00 0.00 N ATOM 928 CA GLY A 65 -3.771 -12.401 0.283 1.00 0.00 C ATOM 929 C GLY A 65 -2.617 -13.236 0.810 1.00 0.00 C ATOM 930 O GLY A 65 -2.821 -14.165 1.591 1.00 0.00 O ATOM 0 H GLY A 65 -2.907 -11.276 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.874 -11.504 0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.699 -12.964 0.384 1.00 0.00 H new ATOM 934 N GLU A 66 -1.407 -12.909 0.369 1.00 0.00 N ATOM 935 CA GLU A 66 -0.210 -13.637 0.785 1.00 0.00 C ATOM 936 C GLU A 66 0.523 -12.926 1.916 1.00 0.00 C ATOM 937 O GLU A 66 0.246 -11.768 2.219 1.00 0.00 O ATOM 938 CB GLU A 66 0.736 -13.791 -0.406 1.00 0.00 C ATOM 939 CG GLU A 66 1.453 -15.131 -0.457 1.00 0.00 C ATOM 940 CD GLU A 66 0.507 -16.298 -0.661 1.00 0.00 C ATOM 941 OE1 GLU A 66 -0.718 -16.106 -0.511 1.00 0.00 O ATOM 942 OE2 GLU A 66 0.992 -17.408 -0.970 1.00 0.00 O ATOM 0 H GLU A 66 -1.227 -12.142 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.528 -14.614 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.168 -13.659 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.479 -12.994 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.183 -15.116 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.007 -15.277 0.470 1.00 0.00 H new ATOM 949 N GLU A 67 1.478 -13.633 2.511 1.00 0.00 N ATOM 950 CA GLU A 67 2.300 -13.092 3.589 1.00 0.00 C ATOM 951 C GLU A 67 3.764 -13.464 3.348 1.00 0.00 C ATOM 952 O GLU A 67 4.149 -14.623 3.493 1.00 0.00 O ATOM 953 CB GLU A 67 1.826 -13.611 4.950 1.00 0.00 C ATOM 954 CG GLU A 67 1.862 -15.125 5.084 1.00 0.00 C ATOM 955 CD GLU A 67 1.357 -15.604 6.431 1.00 0.00 C ATOM 956 OE1 GLU A 67 0.284 -15.133 6.864 1.00 0.00 O ATOM 957 OE2 GLU A 67 2.036 -16.447 7.054 1.00 0.00 O ATOM 0 H GLU A 67 1.704 -14.596 2.261 1.00 0.00 H new ATOM 0 HA GLU A 67 2.204 -12.006 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.448 -13.173 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.807 -13.266 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.257 -15.570 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.884 -15.475 4.938 1.00 0.00 H new ATOM 964 N PHE A 68 4.568 -12.486 2.944 1.00 0.00 N ATOM 965 CA PHE A 68 5.977 -12.732 2.645 1.00 0.00 C ATOM 966 C PHE A 68 6.863 -11.593 3.137 1.00 0.00 C ATOM 967 O PHE A 68 6.377 -10.521 3.488 1.00 0.00 O ATOM 968 CB PHE A 68 6.158 -12.912 1.145 1.00 0.00 C ATOM 969 CG PHE A 68 5.538 -11.797 0.373 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.213 -10.605 0.206 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.272 -11.932 -0.162 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.636 -9.562 -0.490 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.687 -10.896 -0.854 1.00 0.00 C ATOM 974 CZ PHE A 68 4.368 -9.709 -1.021 1.00 0.00 C ATOM 0 H PHE A 68 4.271 -11.519 2.816 1.00 0.00 H new ATOM 0 HA PHE A 68 6.278 -13.640 3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.221 -12.968 0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.714 -13.858 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.202 -10.487 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.735 -12.861 -0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.173 -8.634 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.695 -11.013 -1.266 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.912 -8.896 -1.566 1.00 0.00 H new ATOM 984 N THR A 69 8.166 -11.833 3.157 1.00 0.00 N ATOM 985 CA THR A 69 9.122 -10.827 3.599 1.00 0.00 C ATOM 986 C THR A 69 10.181 -10.587 2.532 1.00 0.00 C ATOM 987 O THR A 69 10.844 -11.525 2.090 1.00 0.00 O ATOM 988 CB THR A 69 9.785 -11.267 4.906 1.00 0.00 C ATOM 989 OG1 THR A 69 8.816 -11.731 5.829 1.00 0.00 O ATOM 990 CG2 THR A 69 10.573 -10.167 5.584 1.00 0.00 C ATOM 0 H THR A 69 8.587 -12.717 2.872 1.00 0.00 H new ATOM 0 HA THR A 69 8.585 -9.894 3.770 1.00 0.00 H new ATOM 0 HB THR A 69 10.475 -12.061 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.260 -12.009 6.657 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.015 -10.550 6.504 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.364 -9.822 4.918 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.909 -9.336 5.820 1.00 0.00 H new ATOM 998 N ILE A 70 10.345 -9.331 2.113 1.00 0.00 N ATOM 999 CA ILE A 70 11.336 -9.011 1.097 1.00 0.00 C ATOM 1000 C ILE A 70 12.151 -7.801 1.504 1.00 0.00 C ATOM 1001 O ILE A 70 11.775 -7.060 2.413 1.00 0.00 O ATOM 1002 CB ILE A 70 10.689 -8.750 -0.284 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.874 -7.452 -0.274 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.814 -9.924 -0.699 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.646 -7.511 0.606 1.00 0.00 C ATOM 0 H ILE A 70 9.811 -8.533 2.458 1.00 0.00 H new ATOM 0 HA ILE A 70 11.988 -9.880 1.010 1.00 0.00 H new ATOM 0 HB ILE A 70 11.491 -8.641 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.512 -6.635 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.568 -7.218 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.369 -9.720 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.422 -10.827 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.024 -10.067 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.121 -6.557 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.986 -8.305 0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.945 -7.714 1.634 1.00 0.00 H new ATOM 1017 N ASP A 71 13.254 -7.583 0.808 1.00 0.00 N ATOM 1018 CA ASP A 71 14.101 -6.439 1.074 1.00 0.00 C ATOM 1019 C ASP A 71 13.708 -5.310 0.138 1.00 0.00 C ATOM 1020 O ASP A 71 13.254 -5.560 -0.975 1.00 0.00 O ATOM 1021 CB ASP A 71 15.574 -6.803 0.877 1.00 0.00 C ATOM 1022 CG ASP A 71 15.856 -7.332 -0.517 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.620 -6.588 -1.492 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.313 -8.488 -0.631 1.00 0.00 O ATOM 0 H ASP A 71 13.582 -8.186 0.054 1.00 0.00 H new ATOM 0 HA ASP A 71 13.969 -6.122 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.191 -5.923 1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.862 -7.554 1.613 1.00 0.00 H new ATOM 1029 N VAL A 72 13.892 -4.074 0.572 1.00 0.00 N ATOM 1030 CA VAL A 72 13.559 -2.932 -0.267 1.00 0.00 C ATOM 1031 C VAL A 72 14.534 -1.793 -0.035 1.00 0.00 C ATOM 1032 O VAL A 72 14.808 -1.422 1.104 1.00 0.00 O ATOM 1033 CB VAL A 72 12.124 -2.424 -0.022 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.126 -3.230 -0.839 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.778 -2.472 1.458 1.00 0.00 C ATOM 0 H VAL A 72 14.266 -3.836 1.491 1.00 0.00 H new ATOM 0 HA VAL A 72 13.628 -3.276 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 72 12.069 -1.385 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.119 -2.857 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.360 -3.131 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.183 -4.280 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.761 -2.109 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.852 -3.499 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.472 -1.843 2.015 1.00 0.00 H new ATOM 1045 N THR A 73 15.048 -1.229 -1.116 1.00 0.00 N ATOM 1046 CA THR A 73 15.983 -0.121 -1.033 1.00 0.00 C ATOM 1047 C THR A 73 15.826 0.742 -2.273 1.00 0.00 C ATOM 1048 O THR A 73 15.965 0.258 -3.397 1.00 0.00 O ATOM 1049 CB THR A 73 17.422 -0.634 -0.918 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.664 -1.166 0.373 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.465 0.435 -1.177 1.00 0.00 C ATOM 0 H THR A 73 14.831 -1.524 -2.068 1.00 0.00 H new ATOM 0 HA THR A 73 15.769 0.470 -0.142 1.00 0.00 H new ATOM 0 HB THR A 73 17.515 -1.402 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.818 -1.231 0.864 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.461 0.003 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.338 0.830 -2.185 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.347 1.242 -0.453 1.00 0.00 H new ATOM 1059 N PHE A 74 15.520 2.013 -2.073 1.00 0.00 N ATOM 1060 CA PHE A 74 15.327 2.926 -3.185 1.00 0.00 C ATOM 1061 C PHE A 74 16.649 3.522 -3.660 1.00 0.00 C ATOM 1062 O PHE A 74 17.448 4.003 -2.856 1.00 0.00 O ATOM 1063 CB PHE A 74 14.347 4.017 -2.778 1.00 0.00 C ATOM 1064 CG PHE A 74 12.950 3.496 -2.599 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.675 2.507 -1.665 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.918 3.987 -3.371 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.388 2.022 -1.510 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.629 3.511 -3.222 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.363 2.526 -2.290 1.00 0.00 C ATOM 0 H PHE A 74 15.400 2.435 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 74 14.913 2.369 -4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.683 4.474 -1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.345 4.801 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.473 2.112 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.120 4.755 -4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.184 1.251 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.831 3.908 -3.833 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.357 2.151 -2.171 1.00 0.00 H new ATOM 1079 N PRO A 75 16.904 3.493 -4.983 1.00 0.00 N ATOM 1080 CA PRO A 75 18.141 4.029 -5.562 1.00 0.00 C ATOM 1081 C PRO A 75 18.250 5.544 -5.430 1.00 0.00 C ATOM 1082 O PRO A 75 17.367 6.197 -4.875 1.00 0.00 O ATOM 1083 CB PRO A 75 18.050 3.639 -7.038 1.00 0.00 C ATOM 1084 CG PRO A 75 16.597 3.446 -7.298 1.00 0.00 C ATOM 1085 CD PRO A 75 16.011 2.933 -6.015 1.00 0.00 C ATOM 0 HA PRO A 75 19.019 3.635 -5.051 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.465 4.418 -7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.611 2.727 -7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.126 4.383 -7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.437 2.738 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.982 3.268 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.998 1.843 -5.987 1.00 0.00 H new ATOM 1093 N GLU A 76 19.343 6.090 -5.953 1.00 0.00 N ATOM 1094 CA GLU A 76 19.581 7.528 -5.906 1.00 0.00 C ATOM 1095 C GLU A 76 18.737 8.265 -6.945 1.00 0.00 C ATOM 1096 O GLU A 76 18.671 9.495 -6.940 1.00 0.00 O ATOM 1097 CB GLU A 76 21.066 7.821 -6.136 1.00 0.00 C ATOM 1098 CG GLU A 76 21.491 9.210 -5.687 1.00 0.00 C ATOM 1099 CD GLU A 76 22.954 9.490 -5.974 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.374 9.323 -7.138 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.680 9.874 -5.032 1.00 0.00 O ATOM 0 H GLU A 76 20.079 5.557 -6.415 1.00 0.00 H new ATOM 0 HA GLU A 76 19.290 7.886 -4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.661 7.079 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.290 7.707 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.876 9.955 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.307 9.315 -4.618 1.00 0.00 H new ATOM 1108 N GLU A 77 18.094 7.513 -7.836 1.00 0.00 N ATOM 1109 CA GLU A 77 17.258 8.106 -8.875 1.00 0.00 C ATOM 1110 C GLU A 77 15.817 8.268 -8.397 1.00 0.00 C ATOM 1111 O GLU A 77 15.110 9.176 -8.835 1.00 0.00 O ATOM 1112 CB GLU A 77 17.300 7.258 -10.149 1.00 0.00 C ATOM 1113 CG GLU A 77 17.026 5.779 -9.917 1.00 0.00 C ATOM 1114 CD GLU A 77 18.116 4.888 -10.482 1.00 0.00 C ATOM 1115 OE1 GLU A 77 19.083 4.594 -9.750 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.002 4.486 -11.659 1.00 0.00 O ATOM 0 H GLU A 77 18.136 6.494 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 77 17.656 9.096 -9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.567 7.646 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.280 7.367 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.929 5.595 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.072 5.514 -10.373 1.00 0.00 H new ATOM 1123 N TYR A 78 15.387 7.391 -7.494 1.00 0.00 N ATOM 1124 CA TYR A 78 14.031 7.453 -6.956 1.00 0.00 C ATOM 1125 C TYR A 78 13.878 8.670 -6.051 1.00 0.00 C ATOM 1126 O TYR A 78 13.202 9.639 -6.396 1.00 0.00 O ATOM 1127 CB TYR A 78 13.709 6.177 -6.174 1.00 0.00 C ATOM 1128 CG TYR A 78 12.234 5.854 -6.110 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.370 6.576 -5.291 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.705 4.819 -6.870 1.00 0.00 C ATOM 1131 CE1 TYR A 78 10.023 6.272 -5.235 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.361 4.513 -6.820 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.523 5.241 -6.003 1.00 0.00 C ATOM 1134 OH TYR A 78 8.181 4.937 -5.950 1.00 0.00 O ATOM 0 H TYR A 78 15.956 6.631 -7.120 1.00 0.00 H new ATOM 0 HA TYR A 78 13.332 7.541 -7.788 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.235 5.339 -6.632 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.093 6.278 -5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.758 7.386 -4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.357 4.244 -7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.365 6.839 -4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.967 3.706 -7.419 1.00 0.00 H new ATOM 0 HH TYR A 78 7.992 4.187 -6.551 1.00 0.00 H new ATOM 1144 N HIS A 79 14.534 8.608 -4.896 1.00 0.00 N ATOM 1145 CA HIS A 79 14.520 9.687 -3.914 1.00 0.00 C ATOM 1146 C HIS A 79 13.172 10.416 -3.838 1.00 0.00 C ATOM 1147 O HIS A 79 13.060 11.570 -4.249 1.00 0.00 O ATOM 1148 CB HIS A 79 15.643 10.675 -4.220 1.00 0.00 C ATOM 1149 CG HIS A 79 16.985 10.173 -3.789 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.102 10.976 -3.701 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.385 8.935 -3.410 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.130 10.257 -3.287 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.721 9.015 -3.101 1.00 0.00 N ATOM 0 H HIS A 79 15.093 7.803 -4.614 1.00 0.00 H new ATOM 0 HA HIS A 79 14.678 9.233 -2.936 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.662 10.878 -5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.436 11.621 -3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.768 8.050 -3.360 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.134 10.622 -3.128 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.303 8.241 -2.780 1.00 0.00 H new ATOM 1161 N ALA A 80 12.158 9.743 -3.291 1.00 0.00 N ATOM 1162 CA ALA A 80 10.835 10.344 -3.143 1.00 0.00 C ATOM 1163 C ALA A 80 10.778 11.229 -1.898 1.00 0.00 C ATOM 1164 O ALA A 80 11.492 10.999 -0.924 1.00 0.00 O ATOM 1165 CB ALA A 80 9.763 9.270 -3.082 1.00 0.00 C ATOM 0 H ALA A 80 12.229 8.786 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 80 10.647 10.969 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.785 9.738 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.783 8.683 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.951 8.617 -2.230 1.00 0.00 H new ATOM 1171 N GLU A 81 9.938 12.250 -1.948 1.00 0.00 N ATOM 1172 CA GLU A 81 9.796 13.195 -0.842 1.00 0.00 C ATOM 1173 C GLU A 81 9.552 12.516 0.510 1.00 0.00 C ATOM 1174 O GLU A 81 9.904 13.071 1.552 1.00 0.00 O ATOM 1175 CB GLU A 81 8.649 14.164 -1.139 1.00 0.00 C ATOM 1176 CG GLU A 81 9.090 15.612 -1.261 1.00 0.00 C ATOM 1177 CD GLU A 81 10.081 15.828 -2.389 1.00 0.00 C ATOM 1178 OE1 GLU A 81 9.943 15.156 -3.434 1.00 0.00 O ATOM 1179 OE2 GLU A 81 10.992 16.666 -2.229 1.00 0.00 O ATOM 0 H GLU A 81 9.338 12.450 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 81 10.743 13.728 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.161 13.863 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.904 14.086 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.215 16.241 -1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.540 15.931 -0.321 1.00 0.00 H new ATOM 1186 N ASN A 82 8.911 11.350 0.509 1.00 0.00 N ATOM 1187 CA ASN A 82 8.595 10.668 1.766 1.00 0.00 C ATOM 1188 C ASN A 82 9.623 9.612 2.185 1.00 0.00 C ATOM 1189 O ASN A 82 9.867 9.434 3.378 1.00 0.00 O ATOM 1190 CB ASN A 82 7.206 10.031 1.686 1.00 0.00 C ATOM 1191 CG ASN A 82 7.054 9.104 0.497 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.368 9.425 -0.471 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.699 7.947 0.565 1.00 0.00 N ATOM 0 H ASN A 82 8.603 10.862 -0.332 1.00 0.00 H new ATOM 0 HA ASN A 82 8.620 11.440 2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.013 9.474 2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.453 10.817 1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.637 7.282 -0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.257 7.722 1.388 1.00 0.00 H new ATOM 1200 N LEU A 83 10.202 8.886 1.231 1.00 0.00 N ATOM 1201 CA LEU A 83 11.163 7.834 1.579 1.00 0.00 C ATOM 1202 C LEU A 83 12.414 7.849 0.705 1.00 0.00 C ATOM 1203 O LEU A 83 13.135 6.861 0.628 1.00 0.00 O ATOM 1204 CB LEU A 83 10.487 6.457 1.516 1.00 0.00 C ATOM 1205 CG LEU A 83 10.311 5.822 0.122 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.195 6.855 -0.994 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.454 4.879 -0.174 1.00 0.00 C ATOM 0 H LEU A 83 10.030 9.000 0.232 1.00 0.00 H new ATOM 0 HA LEU A 83 11.493 8.037 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.066 5.768 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.502 6.543 1.975 1.00 0.00 H new ATOM 0 HG LEU A 83 9.371 5.272 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.073 6.346 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.331 7.494 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.098 7.465 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.316 4.438 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.395 5.429 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.477 4.088 0.576 1.00 0.00 H new ATOM 1219 N LYS A 84 12.668 8.970 0.055 1.00 0.00 N ATOM 1220 CA LYS A 84 13.838 9.112 -0.818 1.00 0.00 C ATOM 1221 C LYS A 84 15.047 8.312 -0.322 1.00 0.00 C ATOM 1222 O LYS A 84 15.468 8.445 0.826 1.00 0.00 O ATOM 1223 CB LYS A 84 14.229 10.586 -0.949 1.00 0.00 C ATOM 1224 CG LYS A 84 14.430 11.280 0.387 1.00 0.00 C ATOM 1225 CD LYS A 84 15.356 12.477 0.256 1.00 0.00 C ATOM 1226 CE LYS A 84 14.580 13.756 -0.014 1.00 0.00 C ATOM 1227 NZ LYS A 84 15.134 14.507 -1.175 1.00 0.00 N ATOM 0 H LYS A 84 12.082 9.803 0.110 1.00 0.00 H new ATOM 0 HA LYS A 84 13.550 8.711 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.148 10.660 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.455 11.111 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.466 11.605 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.845 10.574 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.938 12.590 1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.065 12.303 -0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.535 13.513 -0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.604 14.389 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.577 15.372 -1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.124 14.761 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.088 13.912 -2.027 1.00 0.00 H new ATOM 1241 N GLY A 85 15.601 7.486 -1.212 1.00 0.00 N ATOM 1242 CA GLY A 85 16.763 6.675 -0.875 1.00 0.00 C ATOM 1243 C GLY A 85 16.619 5.938 0.443 1.00 0.00 C ATOM 1244 O GLY A 85 17.474 6.057 1.323 1.00 0.00 O ATOM 0 H GLY A 85 15.262 7.364 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.935 5.951 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.644 7.315 -0.831 1.00 0.00 H new ATOM 1248 N LYS A 86 15.540 5.180 0.588 1.00 0.00 N ATOM 1249 CA LYS A 86 15.294 4.430 1.815 1.00 0.00 C ATOM 1250 C LYS A 86 15.707 2.964 1.686 1.00 0.00 C ATOM 1251 O LYS A 86 14.905 2.122 1.281 1.00 0.00 O ATOM 1252 CB LYS A 86 13.819 4.517 2.201 1.00 0.00 C ATOM 1253 CG LYS A 86 13.547 4.198 3.659 1.00 0.00 C ATOM 1254 CD LYS A 86 13.371 2.706 3.881 1.00 0.00 C ATOM 1255 CE LYS A 86 12.118 2.179 3.205 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.433 1.380 1.986 1.00 0.00 N ATOM 0 H LYS A 86 14.821 5.068 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 86 15.906 4.881 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.455 5.521 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.249 3.830 1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.371 4.563 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.650 4.723 3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.242 2.176 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.321 2.501 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.559 1.562 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.474 3.015 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.892 1.751 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.450 1.446 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.176 0.385 2.147 1.00 0.00 H new ATOM 1270 N ALA A 87 16.943 2.659 2.065 1.00 0.00 N ATOM 1271 CA ALA A 87 17.437 1.284 2.023 1.00 0.00 C ATOM 1272 C ALA A 87 16.985 0.547 3.278 1.00 0.00 C ATOM 1273 O ALA A 87 17.620 0.651 4.327 1.00 0.00 O ATOM 1274 CB ALA A 87 18.955 1.267 1.909 1.00 0.00 C ATOM 0 H ALA A 87 17.621 3.342 2.404 1.00 0.00 H new ATOM 0 HA ALA A 87 17.028 0.781 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.306 0.236 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.257 1.780 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.390 1.773 2.770 1.00 0.00 H new ATOM 1280 N ALA A 88 15.860 -0.163 3.183 1.00 0.00 N ATOM 1281 CA ALA A 88 15.315 -0.863 4.342 1.00 0.00 C ATOM 1282 C ALA A 88 14.907 -2.308 4.068 1.00 0.00 C ATOM 1283 O ALA A 88 15.086 -2.843 2.975 1.00 0.00 O ATOM 1284 CB ALA A 88 14.111 -0.090 4.874 1.00 0.00 C ATOM 0 H ALA A 88 15.316 -0.267 2.326 1.00 0.00 H new ATOM 0 HA ALA A 88 16.118 -0.909 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.700 -0.608 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.423 0.913 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.350 -0.022 4.097 1.00 0.00 H new ATOM 1290 N LYS A 89 14.321 -2.904 5.100 1.00 0.00 N ATOM 1291 CA LYS A 89 13.815 -4.270 5.052 1.00 0.00 C ATOM 1292 C LYS A 89 12.329 -4.236 5.362 1.00 0.00 C ATOM 1293 O LYS A 89 11.911 -3.506 6.258 1.00 0.00 O ATOM 1294 CB LYS A 89 14.555 -5.162 6.051 1.00 0.00 C ATOM 1295 CG LYS A 89 15.489 -6.163 5.392 1.00 0.00 C ATOM 1296 CD LYS A 89 16.751 -5.490 4.878 1.00 0.00 C ATOM 1297 CE LYS A 89 17.907 -5.650 5.853 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.089 -6.288 5.211 1.00 0.00 N ATOM 0 H LYS A 89 14.183 -2.448 6.002 1.00 0.00 H new ATOM 0 HA LYS A 89 13.980 -4.690 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.130 -4.533 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.825 -5.701 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.755 -6.940 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 89 14.974 -6.654 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.025 -5.918 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.557 -4.430 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.190 -4.673 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.585 -6.253 6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.855 -6.379 5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.826 -7.231 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.412 -5.700 4.416 1.00 0.00 H new ATOM 1312 N PHE A 90 11.534 -5.038 4.657 1.00 0.00 N ATOM 1313 CA PHE A 90 10.086 -5.084 4.902 1.00 0.00 C ATOM 1314 C PHE A 90 9.551 -6.507 4.912 1.00 0.00 C ATOM 1315 O PHE A 90 10.072 -7.377 4.214 1.00 0.00 O ATOM 1316 CB PHE A 90 9.300 -4.364 3.800 1.00 0.00 C ATOM 1317 CG PHE A 90 9.476 -2.879 3.693 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.251 -2.164 4.582 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.827 -2.205 2.680 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.384 -0.793 4.461 1.00 0.00 C ATOM 1321 CE2 PHE A 90 8.949 -0.834 2.551 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.730 -0.128 3.443 1.00 0.00 C ATOM 0 H PHE A 90 11.859 -5.661 3.918 1.00 0.00 H new ATOM 0 HA PHE A 90 9.953 -4.604 5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.576 -4.807 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.240 -4.569 3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.760 -2.681 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.216 -2.755 1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.997 -0.244 5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.435 -0.317 1.754 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.830 0.943 3.345 1.00 0.00 H new ATOM 1332 N ALA A 91 8.461 -6.720 5.645 1.00 0.00 N ATOM 1333 CA ALA A 91 7.791 -8.008 5.686 1.00 0.00 C ATOM 1334 C ALA A 91 6.351 -7.727 5.292 1.00 0.00 C ATOM 1335 O ALA A 91 5.595 -7.107 6.041 1.00 0.00 O ATOM 1336 CB ALA A 91 7.879 -8.635 7.071 1.00 0.00 C ATOM 0 H ALA A 91 8.022 -6.004 6.224 1.00 0.00 H new ATOM 0 HA ALA A 91 8.257 -8.725 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.368 -9.598 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.926 -8.781 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.407 -7.976 7.799 1.00 0.00 H new ATOM 1342 N ILE A 92 6.023 -8.080 4.056 1.00 0.00 N ATOM 1343 CA ILE A 92 4.723 -7.757 3.481 1.00 0.00 C ATOM 1344 C ILE A 92 3.736 -8.913 3.378 1.00 0.00 C ATOM 1345 O ILE A 92 4.093 -10.084 3.448 1.00 0.00 O ATOM 1346 CB ILE A 92 4.934 -7.194 2.062 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.099 -6.195 2.050 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.656 -6.575 1.533 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.181 -5.351 0.802 1.00 0.00 C ATOM 0 H ILE A 92 6.643 -8.593 3.429 1.00 0.00 H new ATOM 0 HA ILE A 92 4.279 -7.041 4.173 1.00 0.00 H new ATOM 0 HB ILE A 92 5.196 -8.015 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.007 -5.537 2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.034 -6.744 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.829 -6.184 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.873 -7.332 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.346 -5.763 2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.031 -4.673 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.307 -5.997 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.264 -4.772 0.694 1.00 0.00 H new ATOM 1361 N ASN A 93 2.478 -8.532 3.162 1.00 0.00 N ATOM 1362 CA ASN A 93 1.382 -9.470 2.980 1.00 0.00 C ATOM 1363 C ASN A 93 0.515 -9.013 1.803 1.00 0.00 C ATOM 1364 O ASN A 93 -0.241 -8.048 1.921 1.00 0.00 O ATOM 1365 CB ASN A 93 0.534 -9.572 4.250 1.00 0.00 C ATOM 1366 CG ASN A 93 1.369 -9.838 5.487 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.394 -10.515 5.422 1.00 0.00 O ATOM 1368 ND2 ASN A 93 0.931 -9.306 6.622 1.00 0.00 N ATOM 0 H ASN A 93 2.193 -7.554 3.109 1.00 0.00 H new ATOM 0 HA ASN A 93 1.794 -10.457 2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.025 -8.646 4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.198 -10.371 4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.450 -9.452 7.488 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.075 -8.751 6.628 1.00 0.00 H new ATOM 1375 N LEU A 94 0.645 -9.691 0.665 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.113 -9.327 -0.535 1.00 0.00 C ATOM 1377 C LEU A 94 -1.612 -9.503 -0.337 1.00 0.00 C ATOM 1378 O LEU A 94 -2.044 -10.327 0.464 1.00 0.00 O ATOM 1379 CB LEU A 94 0.351 -10.157 -1.731 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.052 -9.609 -3.100 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.701 -8.323 -3.404 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.208 -10.644 -4.182 1.00 0.00 C ATOM 0 H LEU A 94 1.265 -10.492 0.546 1.00 0.00 H new ATOM 0 HA LEU A 94 0.078 -8.271 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.437 -10.239 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.049 -11.166 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.119 -9.386 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.401 -7.948 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.470 -7.577 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.773 -8.520 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.084 -10.239 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.269 -10.895 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.374 -11.542 -3.974 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.400 -8.727 -1.088 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.851 -8.803 -1.002 1.00 0.00 C ATOM 1396 C LYS A 95 -4.500 -8.501 -2.363 1.00 0.00 C ATOM 1397 O LYS A 95 -4.478 -9.335 -3.264 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.385 -7.850 0.076 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.017 -8.255 1.498 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.251 -8.528 2.345 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.406 -7.502 3.457 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.749 -7.572 4.099 1.00 0.00 N ATOM 0 H LYS A 95 -2.053 -8.042 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.117 -9.821 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.001 -6.848 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.471 -7.796 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.390 -9.146 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.427 -7.464 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.138 -8.515 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.183 -9.526 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.635 -7.665 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.250 -6.502 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.812 -6.856 4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.484 -7.391 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.889 -8.518 4.509 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.122 -7.331 -2.491 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.814 -6.979 -3.724 1.00 0.00 C ATOM 1418 C LYS A 96 -4.862 -6.603 -4.852 1.00 0.00 C ATOM 1419 O LYS A 96 -4.332 -5.492 -4.892 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.788 -5.828 -3.472 1.00 0.00 C ATOM 1421 CG LYS A 96 -7.969 -6.216 -2.598 1.00 0.00 C ATOM 1422 CD LYS A 96 -7.957 -5.461 -1.277 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.342 -5.412 -0.651 1.00 0.00 C ATOM 1424 NZ LYS A 96 -9.347 -5.964 0.731 1.00 0.00 N ATOM 0 H LYS A 96 -5.160 -6.618 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.357 -7.869 -4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.252 -5.005 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.159 -5.460 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.899 -6.009 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.944 -7.289 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.262 -5.941 -0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.594 -4.446 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.695 -4.381 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.040 -5.976 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.309 -5.912 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.035 -6.956 0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.700 -5.410 1.328 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.681 -7.532 -5.786 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.833 -7.319 -6.951 1.00 0.00 C ATOM 1440 C VAL A 97 -4.699 -7.252 -8.213 1.00 0.00 C ATOM 1441 O VAL A 97 -5.217 -8.270 -8.673 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.793 -8.454 -7.098 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.445 -9.820 -6.903 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.088 -8.380 -8.449 1.00 0.00 C ATOM 0 H VAL A 97 -5.119 -8.453 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.299 -6.378 -6.817 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.043 -8.322 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.693 -10.601 -7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.884 -9.875 -5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.225 -9.961 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.362 -9.190 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.823 -8.475 -9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.575 -7.423 -8.540 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.866 -6.050 -8.758 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.687 -5.859 -9.954 1.00 0.00 C ATOM 1456 C GLU A 98 -4.905 -5.143 -11.055 1.00 0.00 C ATOM 1457 O GLU A 98 -3.715 -4.881 -10.901 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.944 -5.068 -9.595 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.774 -5.711 -8.497 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.424 -4.691 -7.583 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.743 -4.208 -6.653 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.612 -4.373 -7.797 1.00 0.00 O ATOM 0 H GLU A 98 -4.446 -5.195 -8.393 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.974 -6.839 -10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.655 -4.065 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.560 -4.957 -10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.547 -6.333 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.139 -6.370 -7.906 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.573 -4.837 -12.170 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.915 -4.164 -13.293 1.00 0.00 C ATOM 1471 C GLU A 99 -5.358 -2.713 -13.436 1.00 0.00 C ATOM 1472 O GLU A 99 -6.291 -2.407 -14.179 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.176 -4.913 -14.601 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.284 -4.458 -15.746 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.055 -4.222 -17.031 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.090 -3.525 -16.982 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.623 -4.735 -18.085 1.00 0.00 O ATOM 0 H GLU A 99 -6.561 -5.042 -12.319 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.846 -4.168 -13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.027 -5.980 -14.436 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.219 -4.777 -14.887 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.773 -3.539 -15.460 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.514 -5.209 -15.922 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.663 -1.824 -12.735 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.961 -0.396 -12.778 1.00 0.00 C ATOM 1486 C ARG A 100 -4.658 0.199 -14.147 1.00 0.00 C ATOM 1487 O ARG A 100 -4.018 -0.431 -14.989 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.147 0.337 -11.713 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.648 0.275 -11.958 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.034 1.663 -12.040 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.775 2.072 -13.419 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.564 3.332 -13.786 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.581 4.305 -12.884 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -1.338 3.621 -15.061 1.00 0.00 N ATOM 0 H ARG A 100 -3.883 -2.069 -12.125 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.026 -0.273 -12.582 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.460 1.380 -11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.367 -0.094 -10.736 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.171 -0.287 -11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.453 -0.265 -12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.703 2.383 -11.569 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.101 1.679 -11.477 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.755 1.351 -14.140 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.757 4.088 -11.903 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.418 5.270 -13.172 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.326 2.877 -15.758 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.176 4.587 -15.344 1.00 0.00 H new