USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=12 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= -0.154 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00606 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 -120:sc= -2.83 (180deg=-6.17!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 51 MET CE :methyl 178:sc= -3.93 (180deg=-4.15) USER MOD Single : A 60 LYS NZ :NH3+ -119:sc=-0.00587 (180deg=-0.0883) USER MOD Single : A 62 HIS : no HD1:sc= -11.3! C(o=-11!,f=-11!) 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 9:sc= -0.888 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-3.3!) USER MOD Single : A 82 ASN : amide:sc= -5.11! C(o=-5.1!,f=-3.9!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0.11 (180deg=0.101) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -4.24! C(o=-4.2!,f=-11!) USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0162) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.087 -0.936 -12.189 1.00 0.00 N ATOM 143 CA GLU A 10 -8.426 -2.230 -12.111 1.00 0.00 C ATOM 144 C GLU A 10 -9.422 -3.383 -12.062 1.00 0.00 C ATOM 145 O GLU A 10 -10.415 -3.340 -11.334 1.00 0.00 O ATOM 146 CB GLU A 10 -7.489 -2.270 -10.903 1.00 0.00 C ATOM 147 CG GLU A 10 -8.208 -2.205 -9.567 1.00 0.00 C ATOM 148 CD GLU A 10 -7.313 -1.702 -8.451 1.00 0.00 C ATOM 149 OE1 GLU A 10 -6.307 -2.377 -8.144 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.618 -0.632 -7.883 1.00 0.00 O ATOM 0 HA GLU A 10 -7.840 -2.356 -13.021 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.899 -3.185 -10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.790 -1.437 -10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.075 -1.551 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.582 -3.196 -9.310 1.00 0.00 H new ATOM 157 N LYS A 11 -9.136 -4.416 -12.851 1.00 0.00 N ATOM 158 CA LYS A 11 -9.983 -5.600 -12.926 1.00 0.00 C ATOM 159 C LYS A 11 -9.938 -6.383 -11.612 1.00 0.00 C ATOM 160 O LYS A 11 -9.860 -5.787 -10.537 1.00 0.00 O ATOM 161 CB LYS A 11 -9.536 -6.484 -14.096 1.00 0.00 C ATOM 162 CG LYS A 11 -9.319 -5.721 -15.394 1.00 0.00 C ATOM 163 CD LYS A 11 -8.604 -6.574 -16.429 1.00 0.00 C ATOM 164 CE LYS A 11 -9.000 -6.179 -17.843 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.881 -7.319 -18.792 1.00 0.00 N ATOM 0 H LYS A 11 -8.314 -4.455 -13.453 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.013 -5.285 -13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.610 -6.990 -13.824 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.285 -7.258 -14.261 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.281 -5.395 -15.791 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.735 -4.822 -15.196 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.526 -6.468 -16.308 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.841 -7.625 -16.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.026 -5.812 -17.843 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.368 -5.358 -18.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.160 -7.008 -19.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.896 -7.653 -18.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.503 -8.093 -18.484 1.00 0.00 H new ATOM 179 N ASP A 12 -9.990 -7.713 -11.692 1.00 0.00 N ATOM 180 CA ASP A 12 -9.954 -8.550 -10.499 1.00 0.00 C ATOM 181 C ASP A 12 -9.078 -9.782 -10.710 1.00 0.00 C ATOM 182 O ASP A 12 -9.208 -10.774 -9.992 1.00 0.00 O ATOM 183 CB ASP A 12 -11.372 -8.974 -10.107 1.00 0.00 C ATOM 184 CG ASP A 12 -12.224 -7.801 -9.661 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.980 -7.280 -8.553 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.133 -7.405 -10.420 1.00 0.00 O ATOM 0 H ASP A 12 -10.057 -8.230 -12.569 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.519 -7.962 -9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.849 -9.464 -10.955 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.320 -9.708 -9.303 1.00 0.00 H new ATOM 191 N GLY A 13 -8.192 -9.715 -11.700 1.00 0.00 N ATOM 192 CA GLY A 13 -7.313 -10.836 -11.986 1.00 0.00 C ATOM 193 C GLY A 13 -5.935 -10.674 -11.371 1.00 0.00 C ATOM 194 O GLY A 13 -5.749 -9.880 -10.451 1.00 0.00 O ATOM 0 H GLY A 13 -8.067 -8.906 -12.308 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.768 -11.753 -11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.213 -10.948 -13.066 1.00 0.00 H new ATOM 198 N ALA A 14 -4.967 -11.435 -11.877 1.00 0.00 N ATOM 199 CA ALA A 14 -3.599 -11.382 -11.366 1.00 0.00 C ATOM 200 C ALA A 14 -2.915 -10.059 -11.713 1.00 0.00 C ATOM 201 O ALA A 14 -3.529 -9.164 -12.294 1.00 0.00 O ATOM 202 CB ALA A 14 -2.793 -12.553 -11.906 1.00 0.00 C ATOM 0 H ALA A 14 -5.105 -12.096 -12.641 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.647 -11.451 -10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.775 -12.504 -11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.256 -13.489 -11.592 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.770 -12.507 -12.995 1.00 0.00 H new ATOM 208 N VAL A 15 -1.622 -9.971 -11.400 1.00 0.00 N ATOM 209 CA VAL A 15 -0.836 -8.784 -11.730 1.00 0.00 C ATOM 210 C VAL A 15 -0.666 -8.660 -13.239 1.00 0.00 C ATOM 211 O VAL A 15 -0.597 -9.670 -13.941 1.00 0.00 O ATOM 212 CB VAL A 15 0.554 -8.800 -11.063 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.395 -9.958 -11.575 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.271 -7.473 -11.279 1.00 0.00 C ATOM 0 H VAL A 15 -1.100 -10.704 -10.921 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.387 -7.925 -11.345 1.00 0.00 H new ATOM 0 HB VAL A 15 0.410 -8.940 -9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.370 -9.944 -11.087 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.892 -10.899 -11.353 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.528 -9.863 -12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.250 -7.506 -10.800 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.395 -7.296 -12.347 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.681 -6.666 -10.844 1.00 0.00 H new ATOM 224 N GLU A 16 -0.559 -7.437 -13.739 1.00 0.00 N ATOM 225 CA GLU A 16 -0.350 -7.218 -15.161 1.00 0.00 C ATOM 226 C GLU A 16 0.722 -6.154 -15.372 1.00 0.00 C ATOM 227 O GLU A 16 1.116 -5.467 -14.430 1.00 0.00 O ATOM 228 CB GLU A 16 -1.655 -6.826 -15.862 1.00 0.00 C ATOM 229 CG GLU A 16 -2.565 -8.009 -16.150 1.00 0.00 C ATOM 230 CD GLU A 16 -3.463 -7.777 -17.350 1.00 0.00 C ATOM 231 OE1 GLU A 16 -2.935 -7.688 -18.478 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.695 -7.685 -17.160 1.00 0.00 O ATOM 0 H GLU A 16 -0.613 -6.584 -13.182 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.009 -8.153 -15.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.191 -6.108 -15.241 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.418 -6.323 -16.799 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.957 -8.897 -16.323 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.181 -8.210 -15.274 1.00 0.00 H new ATOM 239 N ALA A 17 1.217 -6.072 -16.603 1.00 0.00 N ATOM 240 CA ALA A 17 2.295 -5.140 -16.960 1.00 0.00 C ATOM 241 C ALA A 17 2.414 -3.980 -15.958 1.00 0.00 C ATOM 242 O ALA A 17 3.354 -3.945 -15.163 1.00 0.00 O ATOM 243 CB ALA A 17 2.083 -4.603 -18.369 1.00 0.00 C ATOM 0 H ALA A 17 0.888 -6.644 -17.381 1.00 0.00 H new ATOM 0 HA ALA A 17 3.232 -5.696 -16.924 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.889 -3.914 -18.621 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.080 -5.431 -19.077 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.129 -4.079 -18.419 1.00 0.00 H new ATOM 249 N GLU A 18 1.488 -3.029 -16.006 1.00 0.00 N ATOM 250 CA GLU A 18 1.545 -1.876 -15.101 1.00 0.00 C ATOM 251 C GLU A 18 0.315 -1.803 -14.193 1.00 0.00 C ATOM 252 O GLU A 18 -0.556 -0.952 -14.374 1.00 0.00 O ATOM 253 CB GLU A 18 1.671 -0.581 -15.908 1.00 0.00 C ATOM 254 CG GLU A 18 0.564 -0.390 -16.932 1.00 0.00 C ATOM 255 CD GLU A 18 0.923 0.628 -17.997 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.745 0.299 -18.879 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.384 1.753 -17.949 1.00 0.00 O ATOM 0 H GLU A 18 0.697 -3.028 -16.651 1.00 0.00 H new ATOM 0 HA GLU A 18 2.422 -2.000 -14.466 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.670 0.266 -15.222 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.633 -0.575 -16.420 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.345 -1.346 -17.408 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.346 -0.072 -16.423 1.00 0.00 H new ATOM 264 N ASP A 19 0.246 -2.719 -13.225 1.00 0.00 N ATOM 265 CA ASP A 19 -0.887 -2.783 -12.294 1.00 0.00 C ATOM 266 C ASP A 19 -0.576 -2.142 -10.936 1.00 0.00 C ATOM 267 O ASP A 19 0.471 -1.525 -10.750 1.00 0.00 O ATOM 268 CB ASP A 19 -1.270 -4.241 -12.078 1.00 0.00 C ATOM 269 CG ASP A 19 -1.982 -4.827 -13.275 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.948 -4.197 -14.352 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.579 -5.914 -13.134 1.00 0.00 O ATOM 0 H ASP A 19 0.961 -3.428 -13.064 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.707 -2.221 -12.740 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.373 -4.824 -11.870 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.912 -4.320 -11.201 1.00 0.00 H new ATOM 276 N ARG A 20 -1.504 -2.320 -9.984 1.00 0.00 N ATOM 277 CA ARG A 20 -1.349 -1.794 -8.631 1.00 0.00 C ATOM 278 C ARG A 20 -2.002 -2.746 -7.623 1.00 0.00 C ATOM 279 O ARG A 20 -3.227 -2.874 -7.592 1.00 0.00 O ATOM 280 CB ARG A 20 -1.984 -0.409 -8.511 1.00 0.00 C ATOM 281 CG ARG A 20 -1.076 0.738 -8.932 1.00 0.00 C ATOM 282 CD ARG A 20 -0.679 1.609 -7.749 1.00 0.00 C ATOM 283 NE ARG A 20 -0.946 3.026 -7.997 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.957 3.958 -7.045 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.749 3.623 -5.778 1.00 0.00 N ATOM 286 NH2 ARG A 20 -1.185 5.227 -7.360 1.00 0.00 N ATOM 0 H ARG A 20 -2.375 -2.830 -10.134 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.284 -1.709 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.888 -0.383 -9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.292 -0.252 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.180 0.337 -9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.584 1.349 -9.678 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.225 1.287 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.381 1.472 -7.537 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.135 3.318 -8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.580 2.648 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.758 4.340 -5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.352 5.489 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.193 5.940 -6.631 1.00 0.00 H new ATOM 300 N VAL A 21 -1.192 -3.399 -6.793 1.00 0.00 N ATOM 301 CA VAL A 21 -1.709 -4.322 -5.780 1.00 0.00 C ATOM 302 C VAL A 21 -1.908 -3.625 -4.434 1.00 0.00 C ATOM 303 O VAL A 21 -1.474 -2.490 -4.240 1.00 0.00 O ATOM 304 CB VAL A 21 -0.771 -5.536 -5.583 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.552 -6.271 -6.897 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.561 -5.106 -4.984 1.00 0.00 C ATOM 0 H VAL A 21 -0.176 -3.308 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.673 -4.672 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.253 -6.219 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.111 -7.121 -6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.509 -6.626 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.101 -5.594 -7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.201 -5.979 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.047 -4.394 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.390 -4.637 -4.015 1.00 0.00 H new ATOM 316 N THR A 22 -2.533 -4.333 -3.490 1.00 0.00 N ATOM 317 CA THR A 22 -2.745 -3.806 -2.148 1.00 0.00 C ATOM 318 C THR A 22 -2.018 -4.695 -1.147 1.00 0.00 C ATOM 319 O THR A 22 -2.368 -5.862 -0.977 1.00 0.00 O ATOM 320 CB THR A 22 -4.236 -3.743 -1.808 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.914 -2.863 -2.687 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.504 -3.279 -0.391 1.00 0.00 C ATOM 0 H THR A 22 -2.900 -5.274 -3.635 1.00 0.00 H new ATOM 0 HA THR A 22 -2.350 -2.791 -2.101 1.00 0.00 H new ATOM 0 HB THR A 22 -4.603 -4.764 -1.915 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.866 -2.838 -2.455 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.579 -3.256 -0.213 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.034 -3.967 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.092 -2.280 -0.251 1.00 0.00 H new ATOM 330 N ILE A 23 -0.982 -4.158 -0.512 1.00 0.00 N ATOM 331 CA ILE A 23 -0.199 -4.941 0.435 1.00 0.00 C ATOM 332 C ILE A 23 -0.050 -4.255 1.794 1.00 0.00 C ATOM 333 O ILE A 23 -0.051 -3.028 1.895 1.00 0.00 O ATOM 334 CB ILE A 23 1.217 -5.210 -0.116 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.850 -3.918 -0.618 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.191 -6.249 -1.223 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.336 -3.850 -0.360 1.00 0.00 C ATOM 0 H ILE A 23 -0.668 -3.195 -0.634 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.748 -5.873 0.571 1.00 0.00 H new ATOM 0 HB ILE A 23 1.822 -5.604 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.668 -3.823 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.364 -3.070 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.204 -6.416 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.787 -7.184 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.563 -5.894 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.728 -2.907 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.523 -3.915 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.831 -4.679 -0.865 1.00 0.00 H new ATOM 349 N ASP A 24 0.134 -5.074 2.827 1.00 0.00 N ATOM 350 CA ASP A 24 0.351 -4.597 4.191 1.00 0.00 C ATOM 351 C ASP A 24 1.685 -5.163 4.674 1.00 0.00 C ATOM 352 O ASP A 24 1.898 -6.374 4.604 1.00 0.00 O ATOM 353 CB ASP A 24 -0.775 -5.060 5.126 1.00 0.00 C ATOM 354 CG ASP A 24 -1.087 -6.535 4.978 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.627 -6.926 3.923 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.795 -7.300 5.922 1.00 0.00 O ATOM 0 H ASP A 24 0.137 -6.090 2.741 1.00 0.00 H new ATOM 0 HA ASP A 24 0.360 -3.507 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.492 -4.854 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.675 -4.480 4.920 1.00 0.00 H new ATOM 361 N PHE A 25 2.602 -4.312 5.128 1.00 0.00 N ATOM 362 CA PHE A 25 3.909 -4.806 5.559 1.00 0.00 C ATOM 363 C PHE A 25 4.453 -4.090 6.782 1.00 0.00 C ATOM 364 O PHE A 25 3.942 -3.055 7.201 1.00 0.00 O ATOM 365 CB PHE A 25 4.914 -4.677 4.416 1.00 0.00 C ATOM 366 CG PHE A 25 5.302 -3.261 4.094 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.138 -2.543 4.935 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.818 -2.643 2.953 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.481 -1.235 4.642 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.155 -1.338 2.662 1.00 0.00 C ATOM 371 CZ PHE A 25 5.984 -0.633 3.503 1.00 0.00 C ATOM 0 H PHE A 25 2.472 -3.303 5.206 1.00 0.00 H new ATOM 0 HA PHE A 25 3.766 -5.850 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.812 -5.239 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.493 -5.139 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.526 -3.010 5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.170 -3.189 2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.136 -0.686 5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.767 -0.868 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.246 0.389 3.273 1.00 0.00 H new ATOM 381 N THR A 26 5.507 -4.671 7.348 1.00 0.00 N ATOM 382 CA THR A 26 6.157 -4.115 8.530 1.00 0.00 C ATOM 383 C THR A 26 7.653 -4.443 8.537 1.00 0.00 C ATOM 384 O THR A 26 8.037 -5.612 8.586 1.00 0.00 O ATOM 385 CB THR A 26 5.502 -4.668 9.796 1.00 0.00 C ATOM 386 OG1 THR A 26 4.094 -4.729 9.647 1.00 0.00 O ATOM 387 CG2 THR A 26 5.798 -3.846 11.032 1.00 0.00 C ATOM 0 H THR A 26 5.931 -5.532 7.004 1.00 0.00 H new ATOM 0 HA THR A 26 6.041 -3.032 8.505 1.00 0.00 H new ATOM 0 HB THR A 26 5.928 -5.662 9.930 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.693 -5.087 10.467 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.303 -4.294 11.894 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.874 -3.822 11.204 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.430 -2.830 10.890 1.00 0.00 H new ATOM 395 N GLY A 27 8.493 -3.409 8.487 1.00 0.00 N ATOM 396 CA GLY A 27 9.933 -3.628 8.489 1.00 0.00 C ATOM 397 C GLY A 27 10.728 -2.403 8.904 1.00 0.00 C ATOM 398 O GLY A 27 10.173 -1.320 9.080 1.00 0.00 O ATOM 0 H GLY A 27 8.206 -2.431 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.167 -4.450 9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.248 -3.936 7.492 1.00 0.00 H new ATOM 402 N SER A 28 12.036 -2.588 9.071 1.00 0.00 N ATOM 403 CA SER A 28 12.929 -1.503 9.479 1.00 0.00 C ATOM 404 C SER A 28 13.865 -1.076 8.351 1.00 0.00 C ATOM 405 O SER A 28 13.997 -1.768 7.343 1.00 0.00 O ATOM 406 CB SER A 28 13.759 -1.933 10.689 1.00 0.00 C ATOM 407 OG SER A 28 14.042 -3.321 10.642 1.00 0.00 O ATOM 0 H SER A 28 12.504 -3.483 8.929 1.00 0.00 H new ATOM 0 HA SER A 28 12.302 -0.650 9.739 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.691 -1.369 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.219 -1.699 11.607 1.00 0.00 H new ATOM 0 HG SER A 28 14.575 -3.573 11.425 1.00 0.00 H new ATOM 413 N VAL A 29 14.529 0.065 8.551 1.00 0.00 N ATOM 414 CA VAL A 29 15.477 0.591 7.574 1.00 0.00 C ATOM 415 C VAL A 29 16.912 0.486 8.091 1.00 0.00 C ATOM 416 O VAL A 29 17.690 -0.334 7.606 1.00 0.00 O ATOM 417 CB VAL A 29 15.149 2.056 7.163 1.00 0.00 C ATOM 418 CG1 VAL A 29 14.849 2.937 8.370 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.280 2.654 6.338 1.00 0.00 C ATOM 0 H VAL A 29 14.425 0.642 9.385 1.00 0.00 H new ATOM 0 HA VAL A 29 15.383 -0.025 6.680 1.00 0.00 H new ATOM 0 HB VAL A 29 14.248 2.021 6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.626 3.950 8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.991 2.536 8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.716 2.956 9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.028 3.678 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.199 2.652 6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.425 2.061 5.435 1.00 0.00 H new ATOM 429 N ASP A 30 17.258 1.301 9.082 1.00 0.00 N ATOM 430 CA ASP A 30 18.594 1.268 9.661 1.00 0.00 C ATOM 431 C ASP A 30 18.605 0.392 10.907 1.00 0.00 C ATOM 432 O ASP A 30 19.270 0.705 11.894 1.00 0.00 O ATOM 433 CB ASP A 30 19.056 2.685 10.009 1.00 0.00 C ATOM 434 CG ASP A 30 18.125 3.372 10.987 1.00 0.00 C ATOM 435 OD1 ASP A 30 16.928 3.520 10.663 1.00 0.00 O ATOM 436 OD2 ASP A 30 18.592 3.762 12.078 1.00 0.00 O ATOM 0 H ASP A 30 16.633 1.990 9.499 1.00 0.00 H new ATOM 0 HA ASP A 30 19.282 0.846 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 30 20.059 2.643 10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.121 3.277 9.096 1.00 0.00 H new ATOM 441 N GLY A 31 17.844 -0.697 10.860 1.00 0.00 N ATOM 442 CA GLY A 31 17.758 -1.591 11.998 1.00 0.00 C ATOM 443 C GLY A 31 16.541 -1.296 12.854 1.00 0.00 C ATOM 444 O GLY A 31 16.188 -2.080 13.735 1.00 0.00 O ATOM 0 H GLY A 31 17.285 -0.976 10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.715 -2.622 11.648 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.660 -1.497 12.603 1.00 0.00 H new ATOM 448 N GLU A 32 15.900 -0.157 12.591 1.00 0.00 N ATOM 449 CA GLU A 32 14.717 0.248 13.336 1.00 0.00 C ATOM 450 C GLU A 32 13.629 0.763 12.393 1.00 0.00 C ATOM 451 O GLU A 32 13.884 1.618 11.545 1.00 0.00 O ATOM 452 CB GLU A 32 15.082 1.329 14.355 1.00 0.00 C ATOM 453 CG GLU A 32 16.167 0.901 15.332 1.00 0.00 C ATOM 454 CD GLU A 32 15.602 0.394 16.645 1.00 0.00 C ATOM 455 OE1 GLU A 32 14.595 -0.344 16.612 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.169 0.733 17.705 1.00 0.00 O ATOM 0 H GLU A 32 16.184 0.500 11.865 1.00 0.00 H new ATOM 0 HA GLU A 32 14.330 -0.624 13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.414 2.221 13.823 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.189 1.606 14.915 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.774 0.119 14.876 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.829 1.745 15.527 1.00 0.00 H new ATOM 463 N GLU A 33 12.420 0.235 12.550 1.00 0.00 N ATOM 464 CA GLU A 33 11.289 0.631 11.724 1.00 0.00 C ATOM 465 C GLU A 33 11.051 2.126 11.818 1.00 0.00 C ATOM 466 O GLU A 33 10.752 2.655 12.889 1.00 0.00 O ATOM 467 CB GLU A 33 10.022 -0.123 12.141 1.00 0.00 C ATOM 468 CG GLU A 33 9.832 -0.240 13.648 1.00 0.00 C ATOM 469 CD GLU A 33 9.019 0.901 14.228 1.00 0.00 C ATOM 470 OE1 GLU A 33 8.511 1.729 13.444 1.00 0.00 O ATOM 471 OE2 GLU A 33 8.891 0.967 15.468 1.00 0.00 O ATOM 0 H GLU A 33 12.199 -0.474 13.249 1.00 0.00 H new ATOM 0 HA GLU A 33 11.526 0.377 10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.155 0.382 11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.050 -1.124 11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.338 -1.185 13.875 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.808 -0.267 14.132 1.00 0.00 H new ATOM 478 N PHE A 34 11.207 2.803 10.693 1.00 0.00 N ATOM 479 CA PHE A 34 11.035 4.250 10.615 1.00 0.00 C ATOM 480 C PHE A 34 9.566 4.635 10.453 1.00 0.00 C ATOM 481 O PHE A 34 8.694 4.085 11.125 1.00 0.00 O ATOM 482 CB PHE A 34 11.908 4.806 9.461 1.00 0.00 C ATOM 483 CG PHE A 34 11.536 4.327 8.069 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.702 3.000 7.696 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.035 5.219 7.126 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.373 2.573 6.423 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.705 4.793 5.851 1.00 0.00 C ATOM 488 CZ PHE A 34 10.874 3.469 5.501 1.00 0.00 C ATOM 0 H PHE A 34 11.457 2.368 9.805 1.00 0.00 H new ATOM 0 HA PHE A 34 11.365 4.698 11.552 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.852 5.894 9.479 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.947 4.537 9.653 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.094 2.291 8.411 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.902 6.257 7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.507 1.537 6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.315 5.497 5.130 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.616 3.135 4.507 1.00 0.00 H new ATOM 498 N GLU A 35 9.304 5.555 9.550 1.00 0.00 N ATOM 499 CA GLU A 35 7.948 6.008 9.266 1.00 0.00 C ATOM 500 C GLU A 35 7.148 4.920 8.555 1.00 0.00 C ATOM 501 O GLU A 35 6.091 4.501 9.025 1.00 0.00 O ATOM 502 CB GLU A 35 7.986 7.264 8.394 1.00 0.00 C ATOM 503 CG GLU A 35 8.038 8.559 9.185 1.00 0.00 C ATOM 504 CD GLU A 35 8.966 9.582 8.559 1.00 0.00 C ATOM 505 OE1 GLU A 35 10.196 9.455 8.734 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.461 10.510 7.891 1.00 0.00 O ATOM 0 H GLU A 35 10.021 6.014 8.989 1.00 0.00 H new ATOM 0 HA GLU A 35 7.462 6.236 10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.856 7.214 7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.105 7.276 7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.034 8.978 9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.368 8.347 10.202 1.00 0.00 H new ATOM 513 N GLY A 36 7.666 4.477 7.411 1.00 0.00 N ATOM 514 CA GLY A 36 6.994 3.450 6.635 1.00 0.00 C ATOM 515 C GLY A 36 7.311 2.049 7.107 1.00 0.00 C ATOM 516 O GLY A 36 7.020 1.080 6.409 1.00 0.00 O ATOM 0 H GLY A 36 8.541 4.813 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.917 3.610 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.281 3.548 5.588 1.00 0.00 H new ATOM 520 N GLY A 37 7.894 1.930 8.295 1.00 0.00 N ATOM 521 CA GLY A 37 8.216 0.620 8.820 1.00 0.00 C ATOM 522 C GLY A 37 6.982 -0.236 9.040 1.00 0.00 C ATOM 523 O GLY A 37 7.095 -1.419 9.352 1.00 0.00 O ATOM 0 H GLY A 37 8.147 2.712 8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.889 0.111 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.750 0.731 9.764 1.00 0.00 H new ATOM 527 N LYS A 38 5.802 0.361 8.865 1.00 0.00 N ATOM 528 CA LYS A 38 4.542 -0.351 9.035 1.00 0.00 C ATOM 529 C LYS A 38 3.501 0.162 8.043 1.00 0.00 C ATOM 530 O LYS A 38 3.143 1.339 8.055 1.00 0.00 O ATOM 531 CB LYS A 38 4.013 -0.189 10.463 1.00 0.00 C ATOM 532 CG LYS A 38 5.000 -0.611 11.543 1.00 0.00 C ATOM 533 CD LYS A 38 5.256 0.511 12.539 1.00 0.00 C ATOM 534 CE LYS A 38 5.758 1.773 11.853 1.00 0.00 C ATOM 535 NZ LYS A 38 4.890 2.946 12.141 1.00 0.00 N ATOM 0 H LYS A 38 5.696 1.341 8.604 1.00 0.00 H new ATOM 0 HA LYS A 38 4.727 -1.409 8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.741 0.854 10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.101 -0.776 10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.613 -1.484 12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.941 -0.909 11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.336 0.733 13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.988 0.182 13.276 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.775 1.985 12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.800 1.608 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.267 3.785 11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.925 2.755 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.870 3.120 13.166 1.00 0.00 H new ATOM 549 N ALA A 39 3.013 -0.733 7.192 1.00 0.00 N ATOM 550 CA ALA A 39 2.009 -0.382 6.199 1.00 0.00 C ATOM 551 C ALA A 39 0.891 -1.416 6.185 1.00 0.00 C ATOM 552 O ALA A 39 1.130 -2.605 6.387 1.00 0.00 O ATOM 553 CB ALA A 39 2.635 -0.264 4.816 1.00 0.00 C ATOM 0 H ALA A 39 3.299 -1.712 7.171 1.00 0.00 H new ATOM 0 HA ALA A 39 1.587 0.586 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.866 -0.001 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.402 0.510 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.086 -1.217 4.538 1.00 0.00 H new ATOM 559 N SER A 40 -0.327 -0.954 5.947 1.00 0.00 N ATOM 560 CA SER A 40 -1.481 -1.842 5.912 1.00 0.00 C ATOM 561 C SER A 40 -2.105 -1.861 4.526 1.00 0.00 C ATOM 562 O SER A 40 -2.134 -2.892 3.856 1.00 0.00 O ATOM 563 CB SER A 40 -2.521 -1.402 6.945 1.00 0.00 C ATOM 564 OG SER A 40 -3.584 -2.334 7.032 1.00 0.00 O ATOM 0 H SER A 40 -0.543 0.028 5.775 1.00 0.00 H new ATOM 0 HA SER A 40 -1.142 -2.849 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.046 -1.296 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.914 -0.422 6.674 1.00 0.00 H new ATOM 0 HG SER A 40 -4.233 -2.029 7.700 1.00 0.00 H new ATOM 570 N ASP A 41 -2.549 -0.703 4.068 1.00 0.00 N ATOM 571 CA ASP A 41 -3.109 -0.555 2.742 1.00 0.00 C ATOM 572 C ASP A 41 -2.071 0.104 1.849 1.00 0.00 C ATOM 573 O ASP A 41 -2.232 1.260 1.456 1.00 0.00 O ATOM 574 CB ASP A 41 -4.386 0.287 2.782 1.00 0.00 C ATOM 575 CG ASP A 41 -4.180 1.613 3.485 1.00 0.00 C ATOM 576 OD1 ASP A 41 -3.772 1.604 4.664 1.00 0.00 O ATOM 577 OD2 ASP A 41 -4.429 2.665 2.855 1.00 0.00 O ATOM 0 H ASP A 41 -2.530 0.161 4.609 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.371 -1.536 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.731 0.468 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.171 -0.273 3.290 1.00 0.00 H new ATOM 582 N PHE A 42 -1.013 -0.615 1.524 1.00 0.00 N ATOM 583 CA PHE A 42 0.027 -0.055 0.670 1.00 0.00 C ATOM 584 C PHE A 42 -0.257 -0.396 -0.785 1.00 0.00 C ATOM 585 O PHE A 42 -0.090 -1.539 -1.211 1.00 0.00 O ATOM 586 CB PHE A 42 1.416 -0.557 1.084 1.00 0.00 C ATOM 587 CG PHE A 42 2.542 0.234 0.474 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.492 1.619 0.444 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.643 -0.402 -0.082 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.518 2.352 -0.122 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.667 0.326 -0.653 1.00 0.00 C ATOM 592 CZ PHE A 42 4.606 1.706 -0.673 1.00 0.00 C ATOM 0 H PHE A 42 -0.848 -1.574 1.831 1.00 0.00 H new ATOM 0 HA PHE A 42 0.021 1.029 0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.500 -0.517 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.518 -1.603 0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.641 2.131 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.699 -1.480 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.468 3.431 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.516 -0.183 -1.084 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.407 2.277 -1.118 1.00 0.00 H new ATOM 602 N VAL A 43 -0.697 0.604 -1.542 1.00 0.00 N ATOM 603 CA VAL A 43 -1.018 0.418 -2.944 1.00 0.00 C ATOM 604 C VAL A 43 0.228 0.532 -3.813 1.00 0.00 C ATOM 605 O VAL A 43 0.662 1.630 -4.157 1.00 0.00 O ATOM 606 CB VAL A 43 -2.058 1.452 -3.405 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.518 1.157 -4.824 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.240 1.483 -2.449 1.00 0.00 C ATOM 0 H VAL A 43 -0.838 1.555 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.433 -0.584 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.589 2.436 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.254 1.901 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.663 1.194 -5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.968 0.165 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.966 2.221 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.709 0.500 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.894 1.751 -1.451 1.00 0.00 H new ATOM 618 N LEU A 44 0.799 -0.614 -4.153 1.00 0.00 N ATOM 619 CA LEU A 44 1.999 -0.658 -4.971 1.00 0.00 C ATOM 620 C LEU A 44 1.646 -0.714 -6.444 1.00 0.00 C ATOM 621 O LEU A 44 0.661 -1.336 -6.827 1.00 0.00 O ATOM 622 CB LEU A 44 2.837 -1.877 -4.599 1.00 0.00 C ATOM 623 CG LEU A 44 4.307 -1.589 -4.311 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.066 -2.892 -4.175 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.914 -0.723 -5.405 1.00 0.00 C ATOM 0 H LEU A 44 0.447 -1.530 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 44 2.573 0.250 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.396 -2.347 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.777 -2.601 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 44 4.380 -1.038 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.116 -2.682 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.645 -3.474 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.984 -3.459 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.963 -0.531 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.839 -1.240 -6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.376 0.223 -5.461 1.00 0.00 H new ATOM 637 N ALA A 45 2.460 -0.065 -7.263 1.00 0.00 N ATOM 638 CA ALA A 45 2.235 -0.043 -8.700 1.00 0.00 C ATOM 639 C ALA A 45 3.233 -0.935 -9.431 1.00 0.00 C ATOM 640 O ALA A 45 4.398 -0.571 -9.592 1.00 0.00 O ATOM 641 CB ALA A 45 2.332 1.381 -9.229 1.00 0.00 C ATOM 0 H ALA A 45 3.283 0.454 -6.956 1.00 0.00 H new ATOM 0 HA ALA A 45 1.232 -0.428 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.161 1.382 -10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.580 2.002 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.324 1.781 -9.019 1.00 0.00 H new ATOM 647 N MET A 46 2.773 -2.098 -9.881 1.00 0.00 N ATOM 648 CA MET A 46 3.625 -3.025 -10.602 1.00 0.00 C ATOM 649 C MET A 46 4.082 -2.423 -11.925 1.00 0.00 C ATOM 650 O MET A 46 3.554 -2.758 -12.986 1.00 0.00 O ATOM 651 CB MET A 46 2.887 -4.339 -10.846 1.00 0.00 C ATOM 652 CG MET A 46 3.581 -5.530 -10.223 1.00 0.00 C ATOM 653 SD MET A 46 4.618 -6.420 -11.401 1.00 0.00 S ATOM 654 CE MET A 46 5.791 -7.215 -10.307 1.00 0.00 C ATOM 0 H MET A 46 1.812 -2.417 -9.757 1.00 0.00 H new ATOM 0 HA MET A 46 4.507 -3.223 -9.994 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.877 -4.262 -10.444 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.791 -4.502 -11.919 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.194 -5.193 -9.387 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.833 -6.210 -9.816 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.800 -6.882 -10.551 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.562 -6.951 -9.274 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.726 -8.296 -10.428 1.00 0.00 H new ATOM 664 N GLY A 47 5.069 -1.534 -11.845 1.00 0.00 N ATOM 665 CA GLY A 47 5.597 -0.892 -13.035 1.00 0.00 C ATOM 666 C GLY A 47 5.146 0.548 -13.184 1.00 0.00 C ATOM 667 O GLY A 47 4.516 0.907 -14.180 1.00 0.00 O ATOM 0 H GLY A 47 5.513 -1.247 -10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.686 -0.924 -13.005 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.286 -1.457 -13.914 1.00 0.00 H new ATOM 671 N GLN A 48 5.478 1.379 -12.201 1.00 0.00 N ATOM 672 CA GLN A 48 5.117 2.792 -12.238 1.00 0.00 C ATOM 673 C GLN A 48 6.358 3.651 -12.448 1.00 0.00 C ATOM 674 O GLN A 48 6.559 4.221 -13.521 1.00 0.00 O ATOM 675 CB GLN A 48 4.410 3.204 -10.940 1.00 0.00 C ATOM 676 CG GLN A 48 2.984 3.689 -11.150 1.00 0.00 C ATOM 677 CD GLN A 48 2.921 5.120 -11.650 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.628 5.496 -12.585 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.069 5.927 -11.025 1.00 0.00 N ATOM 0 H GLN A 48 5.997 1.098 -11.369 1.00 0.00 H new ATOM 0 HA GLN A 48 4.433 2.947 -13.072 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.399 2.355 -10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.986 3.994 -10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.484 3.036 -11.865 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.436 3.612 -10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.502 5.572 -10.255 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.982 6.901 -11.316 1.00 0.00 H new ATOM 688 N GLY A 49 7.191 3.729 -11.418 1.00 0.00 N ATOM 689 CA GLY A 49 8.411 4.511 -11.506 1.00 0.00 C ATOM 690 C GLY A 49 9.627 3.648 -11.772 1.00 0.00 C ATOM 691 O GLY A 49 10.380 3.891 -12.715 1.00 0.00 O ATOM 0 H GLY A 49 7.044 3.264 -10.522 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.311 5.249 -12.302 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.555 5.062 -10.577 1.00 0.00 H new ATOM 695 N ARG A 50 9.814 2.634 -10.936 1.00 0.00 N ATOM 696 CA ARG A 50 10.938 1.718 -11.075 1.00 0.00 C ATOM 697 C ARG A 50 10.877 0.632 -10.008 1.00 0.00 C ATOM 698 O ARG A 50 11.695 0.606 -9.087 1.00 0.00 O ATOM 699 CB ARG A 50 12.265 2.475 -10.976 1.00 0.00 C ATOM 700 CG ARG A 50 12.482 3.153 -9.631 1.00 0.00 C ATOM 701 CD ARG A 50 13.742 2.648 -8.938 1.00 0.00 C ATOM 702 NE ARG A 50 14.866 2.515 -9.866 1.00 0.00 N ATOM 703 CZ ARG A 50 15.480 1.364 -10.141 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.089 0.231 -9.566 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.491 1.345 -10.996 1.00 0.00 N ATOM 0 H ARG A 50 9.198 2.425 -10.151 1.00 0.00 H new ATOM 0 HA ARG A 50 10.875 1.249 -12.057 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.084 1.780 -11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.304 3.228 -11.763 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.554 4.231 -9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.618 2.974 -8.990 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.014 3.334 -8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.538 1.682 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 50 15.201 3.358 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.311 0.236 -8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.567 -0.643 -9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.798 2.209 -11.442 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.963 0.466 -11.208 1.00 0.00 H new ATOM 719 N MET A 51 9.905 -0.264 -10.137 1.00 0.00 N ATOM 720 CA MET A 51 9.741 -1.353 -9.181 1.00 0.00 C ATOM 721 C MET A 51 11.078 -2.037 -8.912 1.00 0.00 C ATOM 722 O MET A 51 11.617 -2.729 -9.775 1.00 0.00 O ATOM 723 CB MET A 51 8.724 -2.372 -9.699 1.00 0.00 C ATOM 724 CG MET A 51 7.966 -3.089 -8.594 1.00 0.00 C ATOM 725 SD MET A 51 6.338 -2.375 -8.291 1.00 0.00 S ATOM 726 CE MET A 51 6.777 -0.699 -7.840 1.00 0.00 C ATOM 0 H MET A 51 9.220 -0.258 -10.893 1.00 0.00 H new ATOM 0 HA MET A 51 9.370 -0.933 -8.246 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.010 -1.864 -10.347 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.241 -3.110 -10.312 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.854 -4.140 -8.859 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.551 -3.053 -7.675 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.870 -0.122 -7.657 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.386 -0.713 -6.936 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.342 -0.240 -8.651 1.00 0.00 H new ATOM 736 N ILE A 52 11.600 -1.838 -7.711 1.00 0.00 N ATOM 737 CA ILE A 52 12.872 -2.440 -7.324 1.00 0.00 C ATOM 738 C ILE A 52 12.735 -3.951 -7.190 1.00 0.00 C ATOM 739 O ILE A 52 11.632 -4.465 -7.002 1.00 0.00 O ATOM 740 CB ILE A 52 13.411 -1.867 -5.992 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.266 -1.484 -5.048 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.305 -0.665 -6.255 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.714 -1.227 -3.625 1.00 0.00 C ATOM 0 H ILE A 52 11.165 -1.266 -6.987 1.00 0.00 H new ATOM 0 HA ILE A 52 13.581 -2.198 -8.115 1.00 0.00 H new ATOM 0 HB ILE A 52 14.001 -2.645 -5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.773 -0.591 -5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.524 -2.282 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.676 -0.273 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.147 -0.967 -6.878 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.733 0.108 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.851 -0.961 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.180 -2.126 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.433 -0.408 -3.612 1.00 0.00 H new ATOM 755 N PRO A 53 13.855 -4.688 -7.268 1.00 0.00 N ATOM 756 CA PRO A 53 13.838 -6.145 -7.135 1.00 0.00 C ATOM 757 C PRO A 53 13.179 -6.577 -5.831 1.00 0.00 C ATOM 758 O PRO A 53 12.749 -7.719 -5.687 1.00 0.00 O ATOM 759 CB PRO A 53 15.319 -6.529 -7.139 1.00 0.00 C ATOM 760 CG PRO A 53 16.005 -5.396 -7.821 1.00 0.00 C ATOM 761 CD PRO A 53 15.217 -4.165 -7.472 1.00 0.00 C ATOM 0 HA PRO A 53 13.268 -6.626 -7.930 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.695 -6.666 -6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.483 -7.467 -7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 53 17.038 -5.306 -7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.033 -5.549 -8.900 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.602 -3.681 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.249 -3.425 -8.272 1.00 0.00 H new ATOM 769 N GLY A 54 13.110 -5.651 -4.881 1.00 0.00 N ATOM 770 CA GLY A 54 12.506 -5.943 -3.598 1.00 0.00 C ATOM 771 C GLY A 54 11.005 -6.131 -3.686 1.00 0.00 C ATOM 772 O GLY A 54 10.490 -7.212 -3.397 1.00 0.00 O ATOM 0 H GLY A 54 13.464 -4.699 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.957 -6.846 -3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.726 -5.131 -2.905 1.00 0.00 H new ATOM 776 N PHE A 55 10.300 -5.078 -4.085 1.00 0.00 N ATOM 777 CA PHE A 55 8.855 -5.138 -4.201 1.00 0.00 C ATOM 778 C PHE A 55 8.444 -6.002 -5.388 1.00 0.00 C ATOM 779 O PHE A 55 7.574 -6.864 -5.270 1.00 0.00 O ATOM 780 CB PHE A 55 8.263 -3.735 -4.362 1.00 0.00 C ATOM 781 CG PHE A 55 8.281 -2.898 -3.111 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.482 -3.224 -2.023 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.083 -1.772 -3.028 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.483 -2.448 -0.888 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.089 -0.991 -1.888 1.00 0.00 C ATOM 786 CZ PHE A 55 8.286 -1.330 -0.818 1.00 0.00 C ATOM 0 H PHE A 55 10.708 -4.176 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 55 8.468 -5.584 -3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.814 -3.210 -5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.233 -3.827 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.851 -4.099 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.711 -1.501 -3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.854 -2.715 -0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.721 -0.117 -1.834 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.287 -0.720 0.073 1.00 0.00 H new ATOM 796 N GLU A 56 9.077 -5.759 -6.529 1.00 0.00 N ATOM 797 CA GLU A 56 8.783 -6.505 -7.748 1.00 0.00 C ATOM 798 C GLU A 56 8.804 -8.011 -7.494 1.00 0.00 C ATOM 799 O GLU A 56 8.147 -8.776 -8.201 1.00 0.00 O ATOM 800 CB GLU A 56 9.793 -6.144 -8.837 1.00 0.00 C ATOM 801 CG GLU A 56 9.399 -6.625 -10.222 1.00 0.00 C ATOM 802 CD GLU A 56 10.595 -7.054 -11.049 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.486 -7.732 -10.498 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.640 -6.710 -12.250 1.00 0.00 O ATOM 0 H GLU A 56 9.800 -5.048 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 56 7.781 -6.232 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.917 -5.061 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.762 -6.570 -8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.706 -7.462 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.868 -5.828 -10.743 1.00 0.00 H new ATOM 811 N ASP A 57 9.562 -8.434 -6.487 1.00 0.00 N ATOM 812 CA ASP A 57 9.662 -9.851 -6.155 1.00 0.00 C ATOM 813 C ASP A 57 8.444 -10.325 -5.363 1.00 0.00 C ATOM 814 O ASP A 57 7.588 -11.028 -5.897 1.00 0.00 O ATOM 815 CB ASP A 57 10.947 -10.129 -5.367 1.00 0.00 C ATOM 816 CG ASP A 57 11.347 -11.591 -5.409 1.00 0.00 C ATOM 817 OD1 ASP A 57 10.449 -12.449 -5.537 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.560 -11.877 -5.316 1.00 0.00 O ATOM 0 H ASP A 57 10.114 -7.819 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 57 9.694 -10.409 -7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.757 -9.522 -5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.807 -9.823 -4.330 1.00 0.00 H new ATOM 823 N GLY A 58 8.378 -9.959 -4.085 1.00 0.00 N ATOM 824 CA GLY A 58 7.267 -10.384 -3.250 1.00 0.00 C ATOM 825 C GLY A 58 5.939 -9.876 -3.756 1.00 0.00 C ATOM 826 O GLY A 58 5.019 -10.652 -4.014 1.00 0.00 O ATOM 0 H GLY A 58 9.071 -9.378 -3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.244 -11.473 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.425 -10.029 -2.232 1.00 0.00 H new ATOM 830 N ILE A 59 5.847 -8.564 -3.893 1.00 0.00 N ATOM 831 CA ILE A 59 4.651 -7.901 -4.364 1.00 0.00 C ATOM 832 C ILE A 59 4.549 -7.969 -5.875 1.00 0.00 C ATOM 833 O ILE A 59 4.084 -7.037 -6.532 1.00 0.00 O ATOM 834 CB ILE A 59 4.672 -6.441 -3.891 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.051 -6.387 -2.410 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.333 -5.766 -4.132 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.539 -6.418 -2.157 1.00 0.00 C ATOM 0 H ILE A 59 6.612 -7.925 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 59 3.777 -8.407 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 59 5.419 -5.897 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.637 -5.479 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.587 -7.229 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.379 -4.733 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.104 -5.783 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.554 -6.297 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.727 -6.376 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.958 -7.339 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.008 -5.561 -2.641 1.00 0.00 H new ATOM 849 N LYS A 60 4.928 -9.123 -6.396 1.00 0.00 N ATOM 850 CA LYS A 60 4.809 -9.359 -7.824 1.00 0.00 C ATOM 851 C LYS A 60 3.369 -9.014 -8.198 1.00 0.00 C ATOM 852 O LYS A 60 3.103 -8.267 -9.137 1.00 0.00 O ATOM 853 CB LYS A 60 5.156 -10.805 -8.213 1.00 0.00 C ATOM 854 CG LYS A 60 4.621 -11.870 -7.269 1.00 0.00 C ATOM 855 CD LYS A 60 5.602 -13.025 -7.129 1.00 0.00 C ATOM 856 CE LYS A 60 5.536 -13.966 -8.323 1.00 0.00 C ATOM 857 NZ LYS A 60 6.490 -13.571 -9.397 1.00 0.00 N ATOM 0 H LYS A 60 5.315 -9.901 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 60 5.522 -8.739 -8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.768 -10.999 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.240 -10.901 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.431 -11.430 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.667 -12.243 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.614 -12.633 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.384 -13.579 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.758 -14.982 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.522 -13.974 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.963 -13.353 -10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.023 -12.731 -9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.151 -14.353 -9.579 1.00 0.00 H new ATOM 871 N GLY A 61 2.453 -9.607 -7.438 1.00 0.00 N ATOM 872 CA GLY A 61 1.036 -9.424 -7.651 1.00 0.00 C ATOM 873 C GLY A 61 0.422 -10.688 -8.187 1.00 0.00 C ATOM 874 O GLY A 61 -0.323 -10.678 -9.167 1.00 0.00 O ATOM 0 H GLY A 61 2.680 -10.226 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.553 -9.146 -6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.869 -8.605 -8.351 1.00 0.00 H new ATOM 878 N HIS A 62 0.766 -11.792 -7.539 1.00 0.00 N ATOM 879 CA HIS A 62 0.270 -13.103 -7.962 1.00 0.00 C ATOM 880 C HIS A 62 -0.450 -13.858 -6.843 1.00 0.00 C ATOM 881 O HIS A 62 -1.192 -14.803 -7.112 1.00 0.00 O ATOM 882 CB HIS A 62 1.421 -13.955 -8.510 1.00 0.00 C ATOM 883 CG HIS A 62 2.352 -14.481 -7.458 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.082 -15.642 -7.616 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.678 -14.002 -6.233 1.00 0.00 C ATOM 886 CE1 HIS A 62 3.814 -15.853 -6.536 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.587 -14.873 -5.683 1.00 0.00 N ATOM 0 H HIS A 62 1.381 -11.812 -6.725 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.463 -12.921 -8.748 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.004 -14.796 -9.063 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.993 -13.358 -9.220 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.294 -13.103 -5.774 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.484 -16.686 -6.379 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.017 -14.777 -4.763 1.00 0.00 H new ATOM 895 N LYS A 63 -0.231 -13.459 -5.595 1.00 0.00 N ATOM 896 CA LYS A 63 -0.872 -14.136 -4.470 1.00 0.00 C ATOM 897 C LYS A 63 -1.783 -13.199 -3.684 1.00 0.00 C ATOM 898 O LYS A 63 -1.378 -12.631 -2.669 1.00 0.00 O ATOM 899 CB LYS A 63 0.178 -14.728 -3.534 1.00 0.00 C ATOM 900 CG LYS A 63 0.994 -15.851 -4.149 1.00 0.00 C ATOM 901 CD LYS A 63 0.925 -17.113 -3.304 1.00 0.00 C ATOM 902 CE LYS A 63 -0.058 -18.117 -3.880 1.00 0.00 C ATOM 903 NZ LYS A 63 0.035 -19.439 -3.200 1.00 0.00 N ATOM 0 H LYS A 63 0.376 -12.681 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.485 -14.935 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.854 -13.934 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.319 -15.102 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.626 -16.063 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.032 -15.535 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.915 -17.566 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.629 -16.855 -2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.072 -17.729 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.134 -18.243 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.652 -20.096 -3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.995 -19.822 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.173 -19.324 -2.188 1.00 0.00 H new ATOM 917 N ALA A 64 -3.024 -13.069 -4.137 1.00 0.00 N ATOM 918 CA ALA A 64 -4.004 -12.236 -3.456 1.00 0.00 C ATOM 919 C ALA A 64 -4.251 -12.725 -2.024 1.00 0.00 C ATOM 920 O ALA A 64 -5.065 -13.621 -1.802 1.00 0.00 O ATOM 921 CB ALA A 64 -5.307 -12.211 -4.243 1.00 0.00 C ATOM 0 H ALA A 64 -3.375 -13.532 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.606 -11.223 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.033 -11.585 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.123 -11.806 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.699 -13.224 -4.331 1.00 0.00 H new ATOM 927 N GLY A 65 -3.553 -12.133 -1.054 1.00 0.00 N ATOM 928 CA GLY A 65 -3.731 -12.531 0.337 1.00 0.00 C ATOM 929 C GLY A 65 -2.579 -13.374 0.862 1.00 0.00 C ATOM 930 O GLY A 65 -2.782 -14.273 1.677 1.00 0.00 O ATOM 0 H GLY A 65 -2.871 -11.389 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.833 -11.639 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.660 -13.093 0.433 1.00 0.00 H new ATOM 934 N GLU A 66 -1.373 -13.080 0.390 1.00 0.00 N ATOM 935 CA GLU A 66 -0.179 -13.814 0.806 1.00 0.00 C ATOM 936 C GLU A 66 0.607 -13.060 1.874 1.00 0.00 C ATOM 937 O GLU A 66 0.443 -11.854 2.035 1.00 0.00 O ATOM 938 CB GLU A 66 0.711 -14.076 -0.408 1.00 0.00 C ATOM 939 CG GLU A 66 1.907 -14.976 -0.135 1.00 0.00 C ATOM 940 CD GLU A 66 1.513 -16.415 0.141 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.395 -16.639 0.650 1.00 0.00 O ATOM 942 OE2 GLU A 66 2.322 -17.318 -0.156 1.00 0.00 O ATOM 0 H GLU A 66 -1.194 -12.336 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.501 -14.760 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.106 -14.527 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.071 -13.121 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.580 -14.947 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.461 -14.586 0.719 1.00 0.00 H new ATOM 949 N GLU A 67 1.479 -13.780 2.575 1.00 0.00 N ATOM 950 CA GLU A 67 2.327 -13.191 3.610 1.00 0.00 C ATOM 951 C GLU A 67 3.788 -13.557 3.346 1.00 0.00 C ATOM 952 O GLU A 67 4.189 -14.706 3.529 1.00 0.00 O ATOM 953 CB GLU A 67 1.903 -13.678 4.994 1.00 0.00 C ATOM 954 CG GLU A 67 2.405 -12.799 6.129 1.00 0.00 C ATOM 955 CD GLU A 67 2.852 -13.603 7.334 1.00 0.00 C ATOM 956 OE1 GLU A 67 2.206 -14.629 7.636 1.00 0.00 O ATOM 957 OE2 GLU A 67 3.848 -13.207 7.976 1.00 0.00 O ATOM 0 H GLU A 67 1.618 -14.782 2.444 1.00 0.00 H new ATOM 0 HA GLU A 67 2.217 -12.107 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.815 -13.725 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.272 -14.693 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.237 -12.192 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.614 -12.111 6.428 1.00 0.00 H new ATOM 964 N PHE A 68 4.571 -12.583 2.885 1.00 0.00 N ATOM 965 CA PHE A 68 5.979 -12.819 2.562 1.00 0.00 C ATOM 966 C PHE A 68 6.862 -11.669 3.045 1.00 0.00 C ATOM 967 O PHE A 68 6.368 -10.601 3.395 1.00 0.00 O ATOM 968 CB PHE A 68 6.134 -12.977 1.056 1.00 0.00 C ATOM 969 CG PHE A 68 5.525 -11.836 0.313 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.239 -10.667 0.121 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.233 -11.919 -0.167 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.672 -9.599 -0.545 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.659 -10.856 -0.828 1.00 0.00 C ATOM 974 CZ PHE A 68 4.377 -9.694 -1.020 1.00 0.00 C ATOM 0 H PHE A 68 4.257 -11.626 2.727 1.00 0.00 H new ATOM 0 HA PHE A 68 6.296 -13.729 3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.192 -13.050 0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.666 -13.909 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.249 -10.589 0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.667 -12.827 -0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.238 -8.692 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.647 -10.932 -1.196 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.929 -8.860 -1.540 1.00 0.00 H new ATOM 984 N THR A 69 8.171 -11.892 3.052 1.00 0.00 N ATOM 985 CA THR A 69 9.115 -10.866 3.483 1.00 0.00 C ATOM 986 C THR A 69 10.186 -10.634 2.425 1.00 0.00 C ATOM 987 O THR A 69 10.828 -11.580 1.968 1.00 0.00 O ATOM 988 CB THR A 69 9.773 -11.269 4.805 1.00 0.00 C ATOM 989 OG1 THR A 69 8.795 -11.547 5.790 1.00 0.00 O ATOM 990 CG2 THR A 69 10.698 -10.206 5.359 1.00 0.00 C ATOM 0 H THR A 69 8.602 -12.771 2.765 1.00 0.00 H new ATOM 0 HA THR A 69 8.561 -9.938 3.627 1.00 0.00 H new ATOM 0 HB THR A 69 10.362 -12.157 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.237 -11.804 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.132 -10.554 6.296 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.495 -10.007 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.134 -9.290 5.538 1.00 0.00 H new ATOM 998 N ILE A 70 10.386 -9.375 2.035 1.00 0.00 N ATOM 999 CA ILE A 70 11.392 -9.059 1.033 1.00 0.00 C ATOM 1000 C ILE A 70 12.226 -7.862 1.454 1.00 0.00 C ATOM 1001 O ILE A 70 11.866 -7.130 2.377 1.00 0.00 O ATOM 1002 CB ILE A 70 10.758 -8.778 -0.349 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.978 -7.458 -0.337 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.853 -9.926 -0.761 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.741 -7.489 0.530 1.00 0.00 C ATOM 0 H ILE A 70 9.871 -8.571 2.394 1.00 0.00 H new ATOM 0 HA ILE A 70 12.035 -9.935 0.949 1.00 0.00 H new ATOM 0 HB ILE A 70 11.562 -8.689 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.635 -6.662 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.689 -7.208 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.415 -9.712 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.435 -10.846 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.058 -10.045 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.243 -6.520 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.063 -8.262 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.024 -7.707 1.560 1.00 0.00 H new ATOM 1017 N ASP A 71 13.325 -7.647 0.749 1.00 0.00 N ATOM 1018 CA ASP A 71 14.195 -6.518 1.022 1.00 0.00 C ATOM 1019 C ASP A 71 13.809 -5.370 0.104 1.00 0.00 C ATOM 1020 O ASP A 71 13.370 -5.598 -1.020 1.00 0.00 O ATOM 1021 CB ASP A 71 15.660 -6.902 0.802 1.00 0.00 C ATOM 1022 CG ASP A 71 15.911 -7.456 -0.588 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.528 -8.617 -0.843 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.490 -6.727 -1.421 1.00 0.00 O ATOM 0 H ASP A 71 13.635 -8.243 -0.019 1.00 0.00 H new ATOM 0 HA ASP A 71 14.080 -6.214 2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.290 -6.027 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.954 -7.644 1.544 1.00 0.00 H new ATOM 1029 N VAL A 72 13.981 -4.140 0.564 1.00 0.00 N ATOM 1030 CA VAL A 72 13.651 -2.983 -0.262 1.00 0.00 C ATOM 1031 C VAL A 72 14.605 -1.831 -0.001 1.00 0.00 C ATOM 1032 O VAL A 72 14.850 -1.463 1.145 1.00 0.00 O ATOM 1033 CB VAL A 72 12.210 -2.485 -0.028 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.225 -3.257 -0.892 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.833 -2.579 1.440 1.00 0.00 C ATOM 0 H VAL A 72 14.342 -3.916 1.491 1.00 0.00 H new ATOM 0 HA VAL A 72 13.744 -3.318 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 72 12.165 -1.435 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.215 -2.889 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.478 -3.119 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.275 -4.317 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.812 -2.222 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.901 -3.616 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.514 -1.966 2.031 1.00 0.00 H new ATOM 1045 N THR A 73 15.123 -1.245 -1.070 1.00 0.00 N ATOM 1046 CA THR A 73 16.032 -0.116 -0.964 1.00 0.00 C ATOM 1047 C THR A 73 15.846 0.765 -2.189 1.00 0.00 C ATOM 1048 O THR A 73 15.959 0.295 -3.322 1.00 0.00 O ATOM 1049 CB THR A 73 17.487 -0.593 -0.859 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.743 -1.170 0.412 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.501 0.514 -1.068 1.00 0.00 C ATOM 0 H THR A 73 14.927 -1.536 -2.028 1.00 0.00 H new ATOM 0 HA THR A 73 15.809 0.451 -0.060 1.00 0.00 H new ATOM 0 HB THR A 73 17.601 -1.327 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.900 -1.272 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.508 0.106 -0.980 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.369 0.945 -2.060 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.356 1.288 -0.314 1.00 0.00 H new ATOM 1059 N PHE A 74 15.541 2.033 -1.970 1.00 0.00 N ATOM 1060 CA PHE A 74 15.316 2.952 -3.070 1.00 0.00 C ATOM 1061 C PHE A 74 16.627 3.549 -3.581 1.00 0.00 C ATOM 1062 O PHE A 74 17.406 4.108 -2.809 1.00 0.00 O ATOM 1063 CB PHE A 74 14.344 4.040 -2.632 1.00 0.00 C ATOM 1064 CG PHE A 74 12.951 3.511 -2.433 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.705 2.475 -1.540 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.894 4.033 -3.152 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.426 1.976 -1.372 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.612 3.541 -2.989 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.378 2.511 -2.098 1.00 0.00 C ATOM 0 H PHE A 74 15.444 2.447 -1.043 1.00 0.00 H new ATOM 0 HA PHE A 74 14.878 2.401 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.697 4.487 -1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.326 4.832 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.521 2.055 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.071 4.837 -3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.246 1.170 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.795 3.961 -3.557 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.378 2.124 -1.969 1.00 0.00 H new ATOM 1079 N PRO A 75 16.895 3.433 -4.899 1.00 0.00 N ATOM 1080 CA PRO A 75 18.124 3.956 -5.506 1.00 0.00 C ATOM 1081 C PRO A 75 18.218 5.475 -5.432 1.00 0.00 C ATOM 1082 O PRO A 75 17.325 6.141 -4.911 1.00 0.00 O ATOM 1083 CB PRO A 75 18.029 3.505 -6.968 1.00 0.00 C ATOM 1084 CG PRO A 75 16.577 3.262 -7.202 1.00 0.00 C ATOM 1085 CD PRO A 75 16.027 2.775 -5.896 1.00 0.00 C ATOM 0 HA PRO A 75 19.010 3.590 -4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.415 4.269 -7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.614 2.601 -7.141 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.075 4.175 -7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.426 2.523 -7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.982 3.057 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.076 1.689 -5.818 1.00 0.00 H new ATOM 1093 N GLU A 76 19.310 6.016 -5.966 1.00 0.00 N ATOM 1094 CA GLU A 76 19.529 7.458 -5.971 1.00 0.00 C ATOM 1095 C GLU A 76 18.681 8.141 -7.040 1.00 0.00 C ATOM 1096 O GLU A 76 18.596 9.369 -7.086 1.00 0.00 O ATOM 1097 CB GLU A 76 21.009 7.770 -6.201 1.00 0.00 C ATOM 1098 CG GLU A 76 21.555 7.214 -7.505 1.00 0.00 C ATOM 1099 CD GLU A 76 23.045 7.446 -7.660 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.774 7.313 -6.654 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.483 7.762 -8.786 1.00 0.00 O ATOM 0 H GLU A 76 20.058 5.476 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 76 19.229 7.845 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.149 8.851 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.590 7.365 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.351 6.144 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.030 7.677 -8.341 1.00 0.00 H new ATOM 1108 N GLU A 77 18.052 7.344 -7.900 1.00 0.00 N ATOM 1109 CA GLU A 77 17.211 7.882 -8.962 1.00 0.00 C ATOM 1110 C GLU A 77 15.791 8.121 -8.457 1.00 0.00 C ATOM 1111 O GLU A 77 15.103 9.033 -8.915 1.00 0.00 O ATOM 1112 CB GLU A 77 17.194 6.935 -10.166 1.00 0.00 C ATOM 1113 CG GLU A 77 16.775 5.514 -9.825 1.00 0.00 C ATOM 1114 CD GLU A 77 17.607 4.472 -10.547 1.00 0.00 C ATOM 1115 OE1 GLU A 77 17.666 4.520 -11.794 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.198 3.606 -9.866 1.00 0.00 O ATOM 0 H GLU A 77 18.109 6.326 -7.881 1.00 0.00 H new ATOM 0 HA GLU A 77 17.631 8.838 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.514 7.333 -10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.188 6.913 -10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.862 5.362 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.725 5.377 -10.082 1.00 0.00 H new ATOM 1123 N TYR A 78 15.362 7.302 -7.498 1.00 0.00 N ATOM 1124 CA TYR A 78 14.031 7.434 -6.918 1.00 0.00 C ATOM 1125 C TYR A 78 13.955 8.688 -6.050 1.00 0.00 C ATOM 1126 O TYR A 78 13.314 9.672 -6.416 1.00 0.00 O ATOM 1127 CB TYR A 78 13.693 6.194 -6.082 1.00 0.00 C ATOM 1128 CG TYR A 78 12.215 5.882 -6.019 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.356 6.622 -5.213 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.681 4.840 -6.765 1.00 0.00 C ATOM 1131 CE1 TYR A 78 10.007 6.332 -5.157 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.333 4.544 -6.714 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.500 5.293 -5.909 1.00 0.00 C ATOM 1134 OH TYR A 78 8.156 5.002 -5.856 1.00 0.00 O ATOM 0 H TYR A 78 15.918 6.541 -7.108 1.00 0.00 H new ATOM 0 HA TYR A 78 13.305 7.522 -7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.219 5.334 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.068 6.338 -5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.750 7.436 -4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.331 4.251 -7.396 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.352 6.916 -4.527 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.933 3.731 -7.301 1.00 0.00 H new ATOM 0 HH TYR A 78 7.962 4.243 -6.445 1.00 0.00 H new ATOM 1144 N HIS A 79 14.637 8.637 -4.908 1.00 0.00 N ATOM 1145 CA HIS A 79 14.692 9.748 -3.962 1.00 0.00 C ATOM 1146 C HIS A 79 13.397 10.562 -3.914 1.00 0.00 C ATOM 1147 O HIS A 79 13.340 11.689 -4.407 1.00 0.00 O ATOM 1148 CB HIS A 79 15.875 10.655 -4.298 1.00 0.00 C ATOM 1149 CG HIS A 79 17.175 10.103 -3.809 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.318 10.861 -3.676 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.506 8.853 -3.408 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.297 10.104 -3.214 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.830 8.880 -3.042 1.00 0.00 N ATOM 0 H HIS A 79 15.170 7.819 -4.612 1.00 0.00 H new ATOM 0 HA HIS A 79 14.822 9.316 -2.970 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.926 10.795 -5.378 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.712 11.638 -3.856 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.851 7.995 -3.381 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.307 10.430 -3.011 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.365 8.085 -2.694 1.00 0.00 H new ATOM 1161 N ALA A 80 12.365 9.988 -3.299 1.00 0.00 N ATOM 1162 CA ALA A 80 11.081 10.663 -3.167 1.00 0.00 C ATOM 1163 C ALA A 80 11.033 11.479 -1.876 1.00 0.00 C ATOM 1164 O ALA A 80 11.592 11.082 -0.857 1.00 0.00 O ATOM 1165 CB ALA A 80 9.946 9.651 -3.196 1.00 0.00 C ATOM 0 H ALA A 80 12.396 9.056 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 80 10.962 11.344 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.993 10.170 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.966 9.108 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.064 8.948 -2.371 1.00 0.00 H new ATOM 1171 N GLU A 81 10.366 12.625 -1.927 1.00 0.00 N ATOM 1172 CA GLU A 81 10.252 13.503 -0.764 1.00 0.00 C ATOM 1173 C GLU A 81 9.708 12.774 0.469 1.00 0.00 C ATOM 1174 O GLU A 81 9.779 13.296 1.581 1.00 0.00 O ATOM 1175 CB GLU A 81 9.342 14.689 -1.095 1.00 0.00 C ATOM 1176 CG GLU A 81 10.069 15.854 -1.746 1.00 0.00 C ATOM 1177 CD GLU A 81 10.072 15.766 -3.259 1.00 0.00 C ATOM 1178 OE1 GLU A 81 10.985 15.122 -3.815 1.00 0.00 O ATOM 1179 OE2 GLU A 81 9.160 16.342 -3.889 1.00 0.00 O ATOM 0 H GLU A 81 9.894 12.971 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 81 11.257 13.851 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.547 14.351 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.865 15.036 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.597 16.788 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.097 15.883 -1.385 1.00 0.00 H new ATOM 1186 N ASN A 82 9.145 11.584 0.274 1.00 0.00 N ATOM 1187 CA ASN A 82 8.574 10.823 1.383 1.00 0.00 C ATOM 1188 C ASN A 82 9.551 9.801 1.972 1.00 0.00 C ATOM 1189 O ASN A 82 9.704 9.719 3.191 1.00 0.00 O ATOM 1190 CB ASN A 82 7.283 10.128 0.934 1.00 0.00 C ATOM 1191 CG ASN A 82 7.535 8.893 0.085 1.00 0.00 C ATOM 1192 OD1 ASN A 82 7.511 7.767 0.583 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.777 9.099 -1.204 1.00 0.00 N ATOM 0 H ASN A 82 9.072 11.128 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 82 8.352 11.536 2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.705 9.845 1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.676 10.834 0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.952 8.307 -1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.788 10.049 -1.575 1.00 0.00 H new ATOM 1200 N LEU A 83 10.193 9.005 1.117 1.00 0.00 N ATOM 1201 CA LEU A 83 11.123 7.981 1.596 1.00 0.00 C ATOM 1202 C LEU A 83 12.424 7.948 0.792 1.00 0.00 C ATOM 1203 O LEU A 83 13.151 6.960 0.822 1.00 0.00 O ATOM 1204 CB LEU A 83 10.441 6.603 1.573 1.00 0.00 C ATOM 1205 CG LEU A 83 10.343 5.894 0.209 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.225 6.878 -0.948 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.530 4.978 0.000 1.00 0.00 C ATOM 0 H LEU A 83 10.089 9.047 0.103 1.00 0.00 H new ATOM 0 HA LEU A 83 11.393 8.239 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.979 5.947 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.432 6.718 1.968 1.00 0.00 H new ATOM 0 HG LEU A 83 9.429 5.300 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.159 6.329 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.329 7.486 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.102 7.525 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.444 4.486 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.450 5.562 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.552 4.226 0.789 1.00 0.00 H new ATOM 1219 N LYS A 84 12.707 9.026 0.072 1.00 0.00 N ATOM 1220 CA LYS A 84 13.915 9.125 -0.757 1.00 0.00 C ATOM 1221 C LYS A 84 15.096 8.303 -0.224 1.00 0.00 C ATOM 1222 O LYS A 84 15.526 8.470 0.918 1.00 0.00 O ATOM 1223 CB LYS A 84 14.348 10.586 -0.905 1.00 0.00 C ATOM 1224 CG LYS A 84 14.574 11.293 0.423 1.00 0.00 C ATOM 1225 CD LYS A 84 14.145 12.751 0.360 1.00 0.00 C ATOM 1226 CE LYS A 84 15.260 13.683 0.807 1.00 0.00 C ATOM 1227 NZ LYS A 84 14.893 15.116 0.632 1.00 0.00 N ATOM 0 H LYS A 84 12.114 9.855 0.042 1.00 0.00 H new ATOM 0 HA LYS A 84 13.642 8.708 -1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.267 10.626 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.588 11.126 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.016 10.782 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.629 11.235 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.849 13.000 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.270 12.901 0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.493 13.494 1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.163 13.468 0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.680 15.717 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.696 15.304 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.046 15.329 1.197 1.00 0.00 H new ATOM 1241 N GLY A 85 15.623 7.437 -1.090 1.00 0.00 N ATOM 1242 CA GLY A 85 16.769 6.605 -0.747 1.00 0.00 C ATOM 1243 C GLY A 85 16.637 5.882 0.579 1.00 0.00 C ATOM 1244 O GLY A 85 17.515 5.988 1.435 1.00 0.00 O ATOM 0 H GLY A 85 15.271 7.296 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.918 5.868 -1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.662 7.229 -0.720 1.00 0.00 H new ATOM 1248 N LYS A 86 15.555 5.133 0.753 1.00 0.00 N ATOM 1249 CA LYS A 86 15.349 4.387 1.991 1.00 0.00 C ATOM 1250 C LYS A 86 15.747 2.921 1.841 1.00 0.00 C ATOM 1251 O LYS A 86 14.918 2.078 1.499 1.00 0.00 O ATOM 1252 CB LYS A 86 13.893 4.482 2.447 1.00 0.00 C ATOM 1253 CG LYS A 86 13.737 4.593 3.955 1.00 0.00 C ATOM 1254 CD LYS A 86 14.210 5.945 4.468 1.00 0.00 C ATOM 1255 CE LYS A 86 13.308 7.073 3.990 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.645 7.772 5.126 1.00 0.00 N ATOM 0 H LYS A 86 14.813 5.025 0.061 1.00 0.00 H new ATOM 0 HA LYS A 86 15.991 4.839 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.429 5.349 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.353 3.602 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.691 4.446 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.306 3.800 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.233 5.934 5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.230 6.126 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.896 7.789 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.549 6.672 3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.975 8.477 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.133 7.079 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.364 8.249 5.707 1.00 0.00 H new ATOM 1270 N ALA A 87 17.007 2.614 2.131 1.00 0.00 N ATOM 1271 CA ALA A 87 17.488 1.239 2.061 1.00 0.00 C ATOM 1272 C ALA A 87 17.012 0.487 3.297 1.00 0.00 C ATOM 1273 O ALA A 87 17.656 0.530 4.344 1.00 0.00 O ATOM 1274 CB ALA A 87 19.006 1.208 1.956 1.00 0.00 C ATOM 0 H ALA A 87 17.711 3.295 2.415 1.00 0.00 H new ATOM 0 HA ALA A 87 17.088 0.756 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.346 0.174 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.319 1.738 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.441 1.690 2.831 1.00 0.00 H new ATOM 1280 N ALA A 88 15.853 -0.159 3.187 1.00 0.00 N ATOM 1281 CA ALA A 88 15.273 -0.863 4.327 1.00 0.00 C ATOM 1282 C ALA A 88 14.921 -2.321 4.046 1.00 0.00 C ATOM 1283 O ALA A 88 15.232 -2.878 2.993 1.00 0.00 O ATOM 1284 CB ALA A 88 14.029 -0.112 4.795 1.00 0.00 C ATOM 0 H ALA A 88 15.303 -0.209 2.330 1.00 0.00 H new ATOM 0 HA ALA A 88 16.038 -0.885 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.589 -0.631 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.305 0.900 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.303 -0.068 3.983 1.00 0.00 H new ATOM 1290 N LYS A 89 14.246 -2.909 5.025 1.00 0.00 N ATOM 1291 CA LYS A 89 13.784 -4.288 4.970 1.00 0.00 C ATOM 1292 C LYS A 89 12.306 -4.293 5.324 1.00 0.00 C ATOM 1293 O LYS A 89 11.904 -3.589 6.247 1.00 0.00 O ATOM 1294 CB LYS A 89 14.573 -5.160 5.949 1.00 0.00 C ATOM 1295 CG LYS A 89 15.488 -6.164 5.268 1.00 0.00 C ATOM 1296 CD LYS A 89 16.561 -6.668 6.219 1.00 0.00 C ATOM 1297 CE LYS A 89 17.509 -5.555 6.633 1.00 0.00 C ATOM 1298 NZ LYS A 89 18.919 -6.028 6.714 1.00 0.00 N ATOM 0 H LYS A 89 14.001 -2.433 5.893 1.00 0.00 H new ATOM 0 HA LYS A 89 13.937 -4.698 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.170 -4.517 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.873 -5.696 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.900 -7.005 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.957 -5.701 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.091 -7.095 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.125 -7.468 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.441 -4.736 5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.203 -5.159 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.534 -5.239 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.989 -6.793 7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.220 -6.383 5.784 1.00 0.00 H new ATOM 1312 N PHE A 90 11.504 -5.099 4.635 1.00 0.00 N ATOM 1313 CA PHE A 90 10.070 -5.180 4.938 1.00 0.00 C ATOM 1314 C PHE A 90 9.558 -6.612 4.927 1.00 0.00 C ATOM 1315 O PHE A 90 10.101 -7.474 4.237 1.00 0.00 O ATOM 1316 CB PHE A 90 9.223 -4.440 3.896 1.00 0.00 C ATOM 1317 CG PHE A 90 9.446 -2.966 3.754 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.211 -2.248 4.651 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.852 -2.301 2.703 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.387 -0.886 4.498 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.020 -0.939 2.541 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.789 -0.230 3.441 1.00 0.00 C ATOM 0 H PHE A 90 11.813 -5.700 3.871 1.00 0.00 H new ATOM 0 HA PHE A 90 9.973 -4.733 5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.401 -4.903 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.173 -4.601 4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.677 -2.757 5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.248 -2.851 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.991 -0.336 5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.550 -0.431 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.923 0.835 3.319 1.00 0.00 H new ATOM 1332 N ALA A 91 8.451 -6.837 5.628 1.00 0.00 N ATOM 1333 CA ALA A 91 7.783 -8.125 5.640 1.00 0.00 C ATOM 1334 C ALA A 91 6.358 -7.823 5.212 1.00 0.00 C ATOM 1335 O ALA A 91 5.586 -7.213 5.952 1.00 0.00 O ATOM 1336 CB ALA A 91 7.826 -8.764 7.020 1.00 0.00 C ATOM 0 H ALA A 91 7.995 -6.128 6.203 1.00 0.00 H new ATOM 0 HA ALA A 91 8.267 -8.842 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.316 -9.727 6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.863 -8.911 7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.329 -8.112 7.739 1.00 0.00 H new ATOM 1342 N ILE A 92 6.063 -8.148 3.962 1.00 0.00 N ATOM 1343 CA ILE A 92 4.784 -7.801 3.358 1.00 0.00 C ATOM 1344 C ILE A 92 3.766 -8.939 3.272 1.00 0.00 C ATOM 1345 O ILE A 92 4.099 -10.118 3.348 1.00 0.00 O ATOM 1346 CB ILE A 92 5.040 -7.268 1.933 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.120 -6.176 1.963 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.754 -6.773 1.294 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.039 -5.179 0.828 1.00 0.00 C ATOM 0 H ILE A 92 6.696 -8.654 3.343 1.00 0.00 H new ATOM 0 HA ILE A 92 4.341 -7.056 4.019 1.00 0.00 H new ATOM 0 HB ILE A 92 5.407 -8.087 1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.048 -5.638 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.100 -6.652 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.965 -6.403 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.038 -7.593 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.335 -5.967 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.839 -4.446 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.144 -5.701 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.075 -4.671 0.858 1.00 0.00 H new ATOM 1361 N ASN A 93 2.512 -8.531 3.076 1.00 0.00 N ATOM 1362 CA ASN A 93 1.389 -9.447 2.924 1.00 0.00 C ATOM 1363 C ASN A 93 0.504 -8.983 1.761 1.00 0.00 C ATOM 1364 O ASN A 93 -0.226 -8.000 1.886 1.00 0.00 O ATOM 1365 CB ASN A 93 0.574 -9.502 4.214 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.385 -10.674 4.259 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.101 -11.698 4.881 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.527 -10.529 3.599 1.00 0.00 N ATOM 0 H ASN A 93 2.248 -7.547 3.018 1.00 0.00 H new ATOM 0 HA ASN A 93 1.769 -10.446 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.253 -9.563 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.011 -8.575 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.212 -11.284 3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.720 -9.662 3.097 1.00 0.00 H new ATOM 1375 N LEU A 94 0.588 -9.676 0.627 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.191 -9.307 -0.559 1.00 0.00 C ATOM 1377 C LEU A 94 -1.684 -9.522 -0.358 1.00 0.00 C ATOM 1378 O LEU A 94 -2.099 -10.372 0.428 1.00 0.00 O ATOM 1379 CB LEU A 94 0.278 -10.107 -1.772 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.149 -9.542 -3.127 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.587 -8.242 -3.413 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.105 -10.558 -4.234 1.00 0.00 C ATOM 0 H LEU A 94 1.185 -10.494 0.502 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.026 -8.243 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.366 -10.169 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.101 -11.125 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.218 -9.333 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.273 -7.851 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.355 -7.514 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.661 -8.428 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.205 -10.138 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.168 -10.799 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.466 -11.465 -4.034 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.486 -8.748 -1.091 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.937 -8.855 -1.013 1.00 0.00 C ATOM 1396 C LYS A 95 -4.583 -8.535 -2.370 1.00 0.00 C ATOM 1397 O LYS A 95 -4.555 -9.358 -3.282 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.487 -7.935 0.085 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.259 -8.457 1.496 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.572 -8.726 2.214 1.00 0.00 C ATOM 1401 CE LYS A 95 -6.059 -7.499 2.969 1.00 0.00 C ATOM 1402 NZ LYS A 95 -7.467 -7.156 2.619 1.00 0.00 N ATOM 0 H LYS A 95 -2.151 -8.041 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.190 -9.883 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.021 -6.954 -0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.557 -7.796 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.672 -9.375 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.676 -7.731 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.327 -9.032 1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.444 -9.555 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.985 -7.679 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.411 -6.652 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.785 -6.356 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.521 -6.894 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.079 -7.978 2.795 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.204 -7.364 -2.486 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.889 -6.994 -3.716 1.00 0.00 C ATOM 1418 C LYS A 96 -4.928 -6.635 -4.844 1.00 0.00 C ATOM 1419 O LYS A 96 -4.387 -5.528 -4.887 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.834 -5.820 -3.455 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.287 -6.233 -3.293 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.756 -6.076 -1.855 1.00 0.00 C ATOM 1423 CE LYS A 96 -8.809 -7.414 -1.134 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.108 -7.617 -0.437 1.00 0.00 N ATOM 0 H LYS A 96 -5.246 -6.661 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.453 -7.869 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.511 -5.298 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.756 -5.112 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.913 -5.628 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.408 -7.270 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.084 -5.402 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.744 -5.616 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.652 -8.220 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.996 -7.469 -0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.104 -8.540 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.247 -6.863 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.882 -7.590 -1.131 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.754 -7.566 -5.778 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.903 -7.365 -6.943 1.00 0.00 C ATOM 1440 C VAL A 97 -4.769 -7.307 -8.205 1.00 0.00 C ATOM 1441 O VAL A 97 -5.274 -8.332 -8.660 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.867 -8.506 -7.082 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.530 -9.870 -6.889 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.151 -8.441 -8.429 1.00 0.00 C ATOM 0 H VAL A 97 -5.201 -8.482 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.365 -6.426 -6.815 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.121 -8.374 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.782 -10.656 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.976 -9.921 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.306 -10.007 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.429 -9.255 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.880 -8.534 -9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.631 -7.487 -8.519 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.952 -6.111 -8.756 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.776 -5.943 -9.954 1.00 0.00 C ATOM 1456 C GLU A 98 -5.012 -5.206 -11.056 1.00 0.00 C ATOM 1457 O GLU A 98 -3.813 -4.974 -10.931 1.00 0.00 O ATOM 1458 CB GLU A 98 -7.059 -5.198 -9.597 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.834 -5.840 -8.457 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.413 -4.821 -7.496 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.702 -4.425 -6.549 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.579 -4.417 -7.693 1.00 0.00 O ATOM 0 H GLU A 98 -4.545 -5.247 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.032 -6.931 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.811 -4.172 -9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.698 -5.148 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.642 -6.446 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.176 -6.515 -7.911 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.705 -4.852 -12.142 1.00 0.00 N ATOM 1470 CA GLU A 99 -5.067 -4.158 -13.265 1.00 0.00 C ATOM 1471 C GLU A 99 -5.481 -2.694 -13.350 1.00 0.00 C ATOM 1472 O GLU A 99 -6.363 -2.331 -14.127 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.388 -4.858 -14.585 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.551 -4.357 -15.752 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.354 -4.212 -17.031 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.546 -3.849 -16.944 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.790 -4.460 -18.117 1.00 0.00 O ATOM 0 H GLU A 99 -6.701 -5.033 -12.268 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.993 -4.192 -13.085 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.230 -5.930 -14.467 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.444 -4.715 -14.816 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.113 -3.393 -15.492 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.725 -5.047 -15.923 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.813 -1.856 -12.571 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.086 -0.422 -12.565 1.00 0.00 C ATOM 1486 C ARG A 100 -4.742 0.207 -13.905 1.00 0.00 C ATOM 1487 O ARG A 100 -4.182 -0.441 -14.788 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.271 0.254 -11.471 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.777 0.224 -11.742 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.242 1.599 -12.100 1.00 0.00 C ATOM 1491 NE ARG A 100 -0.876 1.531 -12.609 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.235 2.560 -13.153 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.830 3.743 -13.250 1.00 0.00 N ATOM 1494 NH2 ARG A 100 1.003 2.408 -13.601 1.00 0.00 N ATOM 0 H ARG A 100 -4.073 -2.144 -11.931 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.151 -0.282 -12.377 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.596 1.290 -11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.472 -0.237 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.255 -0.151 -10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.569 -0.470 -12.556 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.887 2.057 -12.850 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.271 2.241 -11.220 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.384 0.640 -12.543 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.783 3.864 -12.906 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.334 4.530 -13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.464 1.501 -13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.495 3.198 -14.019 1.00 0.00 H new