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= -0.159 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 -166:sc= -2.55! (180deg=-3.44!) USER MOD Single : A 48 GLN : amide:sc= -0.0487 X(o=-0.049,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= -2.5 (180deg=-2.5) USER MOD Single : A 60 LYS NZ :NH3+ -148:sc= 0.339 (180deg=0.00894) USER MOD Single : A 62 HIS : no HD1:sc= -5.84 K(o=-5.8,f=-4.1) 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 11:sc= -1.18 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-3.3!) USER MOD Single : A 82 ASN : amide:sc= -5.43! K(o=-5.4!,f=-1.9) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc=-0.00231 (180deg=-0.0985) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= -0.207 (180deg=-0.285) USER MOD Single : A 89 LYS NZ :NH3+ -132:sc= 0.0135 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.87 K(o=-2.9,f=-7.1!) 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 -9.098 -0.804 -11.924 1.00 0.00 N ATOM 143 CA GLU A 10 -8.394 -2.076 -11.963 1.00 0.00 C ATOM 144 C GLU A 10 -9.355 -3.262 -11.985 1.00 0.00 C ATOM 145 O GLU A 10 -10.337 -3.301 -11.242 1.00 0.00 O ATOM 146 CB GLU A 10 -7.436 -2.183 -10.778 1.00 0.00 C ATOM 147 CG GLU A 10 -8.102 -1.973 -9.426 1.00 0.00 C ATOM 148 CD GLU A 10 -7.216 -1.218 -8.453 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.987 -1.437 -8.477 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.752 -0.407 -7.670 1.00 0.00 O ATOM 0 HA GLU A 10 -7.822 -2.109 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.965 -3.166 -10.791 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.641 -1.447 -10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.034 -1.424 -9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.363 -2.941 -8.999 1.00 0.00 H new ATOM 157 N LYS A 11 -9.050 -4.229 -12.848 1.00 0.00 N ATOM 158 CA LYS A 11 -9.867 -5.431 -12.991 1.00 0.00 C ATOM 159 C LYS A 11 -9.864 -6.243 -11.691 1.00 0.00 C ATOM 160 O LYS A 11 -9.725 -5.679 -10.606 1.00 0.00 O ATOM 161 CB LYS A 11 -9.344 -6.277 -14.159 1.00 0.00 C ATOM 162 CG LYS A 11 -9.179 -5.494 -15.452 1.00 0.00 C ATOM 163 CD LYS A 11 -8.046 -6.052 -16.302 1.00 0.00 C ATOM 164 CE LYS A 11 -8.488 -7.271 -17.096 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.130 -7.157 -18.537 1.00 0.00 N ATOM 0 H LYS A 11 -8.237 -4.202 -13.463 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.895 -5.137 -13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.383 -6.710 -13.881 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.030 -7.107 -14.331 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.110 -5.525 -16.019 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.981 -4.447 -15.222 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.690 -5.281 -16.986 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.207 -6.320 -15.660 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.025 -8.164 -16.677 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.567 -7.396 -16.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.449 -8.008 -19.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.592 -6.319 -18.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.099 -7.064 -18.632 1.00 0.00 H new ATOM 179 N ASP A 12 -10.024 -7.563 -11.798 1.00 0.00 N ATOM 180 CA ASP A 12 -10.040 -8.424 -10.619 1.00 0.00 C ATOM 181 C ASP A 12 -9.179 -9.668 -10.824 1.00 0.00 C ATOM 182 O ASP A 12 -9.354 -10.673 -10.134 1.00 0.00 O ATOM 183 CB ASP A 12 -11.475 -8.832 -10.279 1.00 0.00 C ATOM 184 CG ASP A 12 -11.651 -9.155 -8.809 1.00 0.00 C ATOM 185 OD1 ASP A 12 -10.883 -8.616 -7.986 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.559 -9.949 -8.479 1.00 0.00 O ATOM 0 H ASP A 12 -10.143 -8.055 -12.684 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.621 -7.856 -9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.154 -8.025 -10.555 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.754 -9.701 -10.875 1.00 0.00 H new ATOM 191 N GLY A 13 -8.256 -9.601 -11.779 1.00 0.00 N ATOM 192 CA GLY A 13 -7.390 -10.735 -12.057 1.00 0.00 C ATOM 193 C GLY A 13 -6.015 -10.598 -11.428 1.00 0.00 C ATOM 194 O GLY A 13 -5.825 -9.811 -10.503 1.00 0.00 O ATOM 0 H GLY A 13 -8.092 -8.783 -12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.863 -11.645 -11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.281 -10.846 -13.136 1.00 0.00 H new ATOM 198 N ALA A 14 -5.055 -11.372 -11.931 1.00 0.00 N ATOM 199 CA ALA A 14 -3.692 -11.343 -11.407 1.00 0.00 C ATOM 200 C ALA A 14 -2.978 -10.041 -11.762 1.00 0.00 C ATOM 201 O ALA A 14 -3.576 -9.129 -12.331 1.00 0.00 O ATOM 202 CB ALA A 14 -2.907 -12.539 -11.926 1.00 0.00 C ATOM 0 H ALA A 14 -5.196 -12.026 -12.700 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.751 -11.398 -10.320 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.892 -12.508 -11.529 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.394 -13.460 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.872 -12.507 -13.015 1.00 0.00 H new ATOM 208 N VAL A 15 -1.678 -9.989 -11.472 1.00 0.00 N ATOM 209 CA VAL A 15 -0.868 -8.823 -11.817 1.00 0.00 C ATOM 210 C VAL A 15 -0.719 -8.695 -13.328 1.00 0.00 C ATOM 211 O VAL A 15 -0.660 -9.700 -14.036 1.00 0.00 O ATOM 212 CB VAL A 15 0.533 -8.875 -11.182 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.314 -10.081 -11.681 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.293 -7.583 -11.457 1.00 0.00 C ATOM 0 H VAL A 15 -1.167 -10.736 -11.002 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.394 -7.955 -11.419 1.00 0.00 H new ATOM 0 HB VAL A 15 0.414 -8.979 -10.104 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.300 -10.093 -11.217 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.779 -10.994 -11.421 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.424 -10.021 -12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.281 -7.638 -11.000 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.398 -7.444 -12.533 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.744 -6.741 -11.034 1.00 0.00 H new ATOM 224 N GLU A 16 -0.616 -7.469 -13.820 1.00 0.00 N ATOM 225 CA GLU A 16 -0.419 -7.236 -15.244 1.00 0.00 C ATOM 226 C GLU A 16 0.649 -6.169 -15.454 1.00 0.00 C ATOM 227 O GLU A 16 1.050 -5.488 -14.509 1.00 0.00 O ATOM 228 CB GLU A 16 -1.731 -6.839 -15.932 1.00 0.00 C ATOM 229 CG GLU A 16 -2.488 -8.021 -16.515 1.00 0.00 C ATOM 230 CD GLU A 16 -3.225 -7.670 -17.792 1.00 0.00 C ATOM 231 OE1 GLU A 16 -4.116 -6.798 -17.742 1.00 0.00 O ATOM 232 OE2 GLU A 16 -2.910 -8.270 -18.843 1.00 0.00 O ATOM 0 H GLU A 16 -0.665 -6.621 -13.255 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.081 -8.167 -15.700 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.370 -6.327 -15.212 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.514 -6.127 -16.728 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.788 -8.832 -16.715 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.201 -8.390 -15.778 1.00 0.00 H new ATOM 239 N ALA A 17 1.135 -6.075 -16.688 1.00 0.00 N ATOM 240 CA ALA A 17 2.207 -5.136 -17.047 1.00 0.00 C ATOM 241 C ALA A 17 2.332 -3.983 -16.041 1.00 0.00 C ATOM 242 O ALA A 17 3.273 -3.951 -15.249 1.00 0.00 O ATOM 243 CB ALA A 17 1.972 -4.587 -18.448 1.00 0.00 C ATOM 0 H ALA A 17 0.803 -6.642 -17.468 1.00 0.00 H new ATOM 0 HA ALA A 17 3.146 -5.689 -17.023 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.771 -3.892 -18.705 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.961 -5.409 -19.164 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.015 -4.066 -18.479 1.00 0.00 H new ATOM 249 N GLU A 18 1.406 -3.030 -16.084 1.00 0.00 N ATOM 250 CA GLU A 18 1.465 -1.880 -15.175 1.00 0.00 C ATOM 251 C GLU A 18 0.241 -1.808 -14.261 1.00 0.00 C ATOM 252 O GLU A 18 -0.622 -0.945 -14.427 1.00 0.00 O ATOM 253 CB GLU A 18 1.586 -0.583 -15.980 1.00 0.00 C ATOM 254 CG GLU A 18 2.793 -0.553 -16.904 1.00 0.00 C ATOM 255 CD GLU A 18 2.673 0.501 -17.987 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.244 1.630 -17.671 1.00 0.00 O ATOM 257 OE2 GLU A 18 3.007 0.197 -19.151 1.00 0.00 O ATOM 0 H GLU A 18 0.614 -3.026 -16.727 1.00 0.00 H new ATOM 0 HA GLU A 18 2.344 -2.007 -14.543 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.681 -0.447 -16.573 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.645 0.259 -15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.691 -0.364 -16.316 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.916 -1.532 -17.367 1.00 0.00 H new ATOM 264 N ASP A 19 0.163 -2.736 -13.307 1.00 0.00 N ATOM 265 CA ASP A 19 -0.965 -2.800 -12.375 1.00 0.00 C ATOM 266 C ASP A 19 -0.644 -2.176 -11.011 1.00 0.00 C ATOM 267 O ASP A 19 0.411 -1.578 -10.821 1.00 0.00 O ATOM 268 CB ASP A 19 -1.361 -4.259 -12.176 1.00 0.00 C ATOM 269 CG ASP A 19 -1.946 -4.866 -13.428 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.570 -4.425 -14.533 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.783 -5.786 -13.302 1.00 0.00 O ATOM 0 H ASP A 19 0.870 -3.456 -13.158 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.782 -2.225 -12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.486 -4.833 -11.870 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.087 -4.330 -11.366 1.00 0.00 H new ATOM 276 N ARG A 20 -1.575 -2.344 -10.063 1.00 0.00 N ATOM 277 CA ARG A 20 -1.416 -1.830 -8.705 1.00 0.00 C ATOM 278 C ARG A 20 -2.000 -2.818 -7.691 1.00 0.00 C ATOM 279 O ARG A 20 -3.213 -3.025 -7.646 1.00 0.00 O ATOM 280 CB ARG A 20 -2.104 -0.472 -8.554 1.00 0.00 C ATOM 281 CG ARG A 20 -1.310 0.686 -9.135 1.00 0.00 C ATOM 282 CD ARG A 20 -0.714 1.565 -8.049 1.00 0.00 C ATOM 283 NE ARG A 20 -0.564 2.949 -8.494 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.144 3.941 -7.713 1.00 0.00 C ATOM 285 NH1 ARG A 20 0.163 3.709 -6.443 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.032 5.169 -8.203 1.00 0.00 N ATOM 0 H ARG A 20 -2.454 -2.838 -10.219 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.350 -1.706 -8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.078 -0.513 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.284 -0.282 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.511 0.298 -9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.958 1.287 -9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.352 1.534 -7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.258 1.170 -7.754 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.796 3.168 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.077 2.767 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.485 4.473 -5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.268 5.352 -9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.290 5.930 -7.604 1.00 0.00 H new ATOM 300 N VAL A 21 -1.135 -3.412 -6.873 1.00 0.00 N ATOM 301 CA VAL A 21 -1.562 -4.367 -5.848 1.00 0.00 C ATOM 302 C VAL A 21 -1.792 -3.686 -4.496 1.00 0.00 C ATOM 303 O VAL A 21 -1.344 -2.560 -4.274 1.00 0.00 O ATOM 304 CB VAL A 21 -0.512 -5.482 -5.652 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.321 -6.288 -6.930 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.810 -4.893 -5.186 1.00 0.00 C ATOM 0 H VAL A 21 -0.128 -3.249 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.500 -4.795 -6.202 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.880 -6.160 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.424 -7.066 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.267 -6.748 -7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.017 -5.628 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.538 -5.693 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.177 -4.188 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.663 -4.375 -4.238 1.00 0.00 H new ATOM 316 N THR A 22 -2.448 -4.399 -3.578 1.00 0.00 N ATOM 317 CA THR A 22 -2.683 -3.888 -2.231 1.00 0.00 C ATOM 318 C THR A 22 -1.942 -4.772 -1.236 1.00 0.00 C ATOM 319 O THR A 22 -2.255 -5.953 -1.100 1.00 0.00 O ATOM 320 CB THR A 22 -4.174 -3.869 -1.893 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.886 -3.047 -2.801 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.453 -3.362 -0.492 1.00 0.00 C ATOM 0 H THR A 22 -2.825 -5.332 -3.745 1.00 0.00 H new ATOM 0 HA THR A 22 -2.317 -2.863 -2.177 1.00 0.00 H new ATOM 0 HB THR A 22 -4.505 -4.905 -1.964 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.838 -3.050 -2.568 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.527 -3.371 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.956 -4.006 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.077 -2.344 -0.392 1.00 0.00 H new ATOM 330 N ILE A 23 -0.934 -4.220 -0.572 1.00 0.00 N ATOM 331 CA ILE A 23 -0.140 -5.005 0.366 1.00 0.00 C ATOM 332 C ILE A 23 0.005 -4.337 1.735 1.00 0.00 C ATOM 333 O ILE A 23 0.025 -3.112 1.850 1.00 0.00 O ATOM 334 CB ILE A 23 1.270 -5.258 -0.199 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.928 -3.935 -0.578 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.214 -6.191 -1.400 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.438 -3.987 -0.563 1.00 0.00 C ATOM 0 H ILE A 23 -0.649 -3.245 -0.663 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.679 -5.943 0.500 1.00 0.00 H new ATOM 0 HB ILE A 23 1.870 -5.740 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.592 -3.643 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.592 -3.161 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.222 -6.354 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.781 -7.145 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.599 -5.743 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.838 -3.012 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.783 -4.248 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.783 -4.738 -1.273 1.00 0.00 H new ATOM 349 N ASP A 24 0.151 -5.175 2.763 1.00 0.00 N ATOM 350 CA ASP A 24 0.347 -4.715 4.138 1.00 0.00 C ATOM 351 C ASP A 24 1.686 -5.253 4.641 1.00 0.00 C ATOM 352 O ASP A 24 1.934 -6.457 4.558 1.00 0.00 O ATOM 353 CB ASP A 24 -0.785 -5.211 5.045 1.00 0.00 C ATOM 354 CG ASP A 24 -0.942 -6.718 5.007 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.331 -7.248 3.945 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.675 -7.368 6.039 1.00 0.00 O ATOM 0 H ASP A 24 0.137 -6.190 2.666 1.00 0.00 H new ATOM 0 HA ASP A 24 0.343 -3.625 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.590 -4.895 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.721 -4.744 4.740 1.00 0.00 H new ATOM 361 N PHE A 25 2.566 -4.381 5.127 1.00 0.00 N ATOM 362 CA PHE A 25 3.879 -4.837 5.588 1.00 0.00 C ATOM 363 C PHE A 25 4.380 -4.092 6.817 1.00 0.00 C ATOM 364 O PHE A 25 3.812 -3.085 7.230 1.00 0.00 O ATOM 365 CB PHE A 25 4.900 -4.687 4.461 1.00 0.00 C ATOM 366 CG PHE A 25 5.253 -3.261 4.139 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.018 -2.497 5.014 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.814 -2.680 2.964 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.333 -1.186 4.714 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.123 -1.369 2.665 1.00 0.00 C ATOM 371 CZ PHE A 25 5.882 -0.622 3.537 1.00 0.00 C ATOM 0 H PHE A 25 2.402 -3.378 5.212 1.00 0.00 H new ATOM 0 HA PHE A 25 3.762 -5.883 5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.809 -5.222 4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.507 -5.165 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.369 -2.933 5.937 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.222 -3.260 2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.931 -0.603 5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.769 -0.928 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.124 0.404 3.301 1.00 0.00 H new ATOM 381 N THR A 26 5.463 -4.614 7.389 1.00 0.00 N ATOM 382 CA THR A 26 6.078 -4.019 8.577 1.00 0.00 C ATOM 383 C THR A 26 7.578 -4.324 8.635 1.00 0.00 C ATOM 384 O THR A 26 7.977 -5.486 8.716 1.00 0.00 O ATOM 385 CB THR A 26 5.398 -4.546 9.841 1.00 0.00 C ATOM 386 OG1 THR A 26 3.988 -4.438 9.739 1.00 0.00 O ATOM 387 CG2 THR A 26 5.832 -3.824 11.099 1.00 0.00 C ATOM 0 H THR A 26 5.936 -5.451 7.048 1.00 0.00 H new ATOM 0 HA THR A 26 5.948 -2.938 8.517 1.00 0.00 H new ATOM 0 HB THR A 26 5.704 -5.589 9.920 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.573 -4.782 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.312 -4.247 11.959 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.908 -3.940 11.232 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.589 -2.765 11.013 1.00 0.00 H new ATOM 395 N GLY A 27 8.411 -3.278 8.594 1.00 0.00 N ATOM 396 CA GLY A 27 9.854 -3.484 8.647 1.00 0.00 C ATOM 397 C GLY A 27 10.642 -2.231 8.989 1.00 0.00 C ATOM 398 O GLY A 27 10.084 -1.142 9.097 1.00 0.00 O ATOM 0 H GLY A 27 8.116 -2.304 8.526 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.074 -4.253 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.193 -3.863 7.683 1.00 0.00 H new ATOM 402 N SER A 28 11.952 -2.402 9.164 1.00 0.00 N ATOM 403 CA SER A 28 12.848 -1.291 9.499 1.00 0.00 C ATOM 404 C SER A 28 13.777 -0.953 8.338 1.00 0.00 C ATOM 405 O SER A 28 13.812 -1.656 7.329 1.00 0.00 O ATOM 406 CB SER A 28 13.690 -1.642 10.729 1.00 0.00 C ATOM 407 OG SER A 28 13.766 -3.045 10.909 1.00 0.00 O ATOM 0 H SER A 28 12.420 -3.304 9.079 1.00 0.00 H new ATOM 0 HA SER A 28 12.226 -0.422 9.711 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.693 -1.231 10.616 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.255 -1.181 11.616 1.00 0.00 H new ATOM 0 HG SER A 28 14.310 -3.244 11.699 1.00 0.00 H new ATOM 413 N VAL A 29 14.541 0.124 8.510 1.00 0.00 N ATOM 414 CA VAL A 29 15.496 0.566 7.503 1.00 0.00 C ATOM 415 C VAL A 29 16.935 0.298 7.956 1.00 0.00 C ATOM 416 O VAL A 29 17.536 -0.698 7.554 1.00 0.00 O ATOM 417 CB VAL A 29 15.288 2.061 7.128 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.024 2.923 8.359 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.466 2.604 6.322 1.00 0.00 C ATOM 0 H VAL A 29 14.514 0.709 9.345 1.00 0.00 H new ATOM 0 HA VAL A 29 15.315 -0.018 6.601 1.00 0.00 H new ATOM 0 HB VAL A 29 14.400 2.110 6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.884 3.960 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.126 2.569 8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.873 2.856 9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.287 3.651 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.379 2.520 6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.573 2.029 5.402 1.00 0.00 H new ATOM 429 N ASP A 30 17.486 1.170 8.797 1.00 0.00 N ATOM 430 CA ASP A 30 18.844 0.989 9.290 1.00 0.00 C ATOM 431 C ASP A 30 18.824 0.286 10.643 1.00 0.00 C ATOM 432 O ASP A 30 19.555 0.657 11.561 1.00 0.00 O ATOM 433 CB ASP A 30 19.555 2.341 9.400 1.00 0.00 C ATOM 434 CG ASP A 30 20.465 2.611 8.217 1.00 0.00 C ATOM 435 OD1 ASP A 30 19.950 2.996 7.147 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.695 2.438 8.362 1.00 0.00 O ATOM 0 H ASP A 30 17.014 2.003 9.148 1.00 0.00 H new ATOM 0 HA ASP A 30 19.393 0.367 8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.812 3.135 9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.140 2.367 10.319 1.00 0.00 H new ATOM 441 N GLY A 31 17.965 -0.726 10.763 1.00 0.00 N ATOM 442 CA GLY A 31 17.849 -1.455 12.010 1.00 0.00 C ATOM 443 C GLY A 31 16.701 -0.944 12.860 1.00 0.00 C ATOM 444 O GLY A 31 16.326 -1.568 13.853 1.00 0.00 O ATOM 0 H GLY A 31 17.349 -1.051 10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.701 -2.514 11.799 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.781 -1.369 12.569 1.00 0.00 H new ATOM 448 N GLU A 32 16.139 0.197 12.464 1.00 0.00 N ATOM 449 CA GLU A 32 15.028 0.799 13.186 1.00 0.00 C ATOM 450 C GLU A 32 13.902 1.180 12.228 1.00 0.00 C ATOM 451 O GLU A 32 14.124 1.872 11.234 1.00 0.00 O ATOM 452 CB GLU A 32 15.505 2.033 13.955 1.00 0.00 C ATOM 453 CG GLU A 32 16.753 1.784 14.786 1.00 0.00 C ATOM 454 CD GLU A 32 17.647 3.005 14.876 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.135 4.091 15.216 1.00 0.00 O ATOM 456 OE2 GLU A 32 18.860 2.874 14.604 1.00 0.00 O ATOM 0 H GLU A 32 16.439 0.722 11.643 1.00 0.00 H new ATOM 0 HA GLU A 32 14.643 0.066 13.895 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.704 2.838 13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.704 2.375 14.610 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.461 1.477 15.790 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.316 0.958 14.351 1.00 0.00 H new ATOM 463 N GLU A 33 12.695 0.719 12.537 1.00 0.00 N ATOM 464 CA GLU A 33 11.526 0.996 11.719 1.00 0.00 C ATOM 465 C GLU A 33 11.176 2.468 11.769 1.00 0.00 C ATOM 466 O GLU A 33 10.856 3.007 12.829 1.00 0.00 O ATOM 467 CB GLU A 33 10.339 0.157 12.193 1.00 0.00 C ATOM 468 CG GLU A 33 10.675 -1.312 12.386 1.00 0.00 C ATOM 469 CD GLU A 33 9.458 -2.150 12.728 1.00 0.00 C ATOM 470 OE1 GLU A 33 8.649 -1.707 13.570 1.00 0.00 O ATOM 471 OE2 GLU A 33 9.315 -3.250 12.153 1.00 0.00 O ATOM 0 H GLU A 33 12.503 0.146 13.358 1.00 0.00 H new ATOM 0 HA GLU A 33 11.757 0.731 10.687 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.969 0.564 13.134 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.530 0.244 11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.133 -1.698 11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.414 -1.410 13.181 1.00 0.00 H new ATOM 478 N PHE A 34 11.271 3.127 10.625 1.00 0.00 N ATOM 479 CA PHE A 34 11.003 4.560 10.517 1.00 0.00 C ATOM 480 C PHE A 34 9.511 4.869 10.382 1.00 0.00 C ATOM 481 O PHE A 34 8.680 4.281 11.077 1.00 0.00 O ATOM 482 CB PHE A 34 11.813 5.132 9.334 1.00 0.00 C ATOM 483 CG PHE A 34 11.339 4.717 7.955 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.173 3.381 7.615 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.070 5.680 6.992 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.748 3.019 6.350 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.645 5.320 5.726 1.00 0.00 C ATOM 488 CZ PHE A 34 10.483 3.988 5.407 1.00 0.00 C ATOM 0 H PHE A 34 11.536 2.688 9.743 1.00 0.00 H new ATOM 0 HA PHE A 34 11.320 5.043 11.442 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.791 6.220 9.394 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.853 4.827 9.448 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.378 2.615 8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.194 6.725 7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.624 1.976 6.101 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.440 6.081 4.988 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.149 3.705 4.420 1.00 0.00 H new ATOM 498 N GLU A 35 9.181 5.778 9.481 1.00 0.00 N ATOM 499 CA GLU A 35 7.793 6.167 9.231 1.00 0.00 C ATOM 500 C GLU A 35 7.025 5.040 8.550 1.00 0.00 C ATOM 501 O GLU A 35 5.980 4.603 9.033 1.00 0.00 O ATOM 502 CB GLU A 35 7.742 7.418 8.351 1.00 0.00 C ATOM 503 CG GLU A 35 8.488 8.609 8.931 1.00 0.00 C ATOM 504 CD GLU A 35 7.589 9.812 9.137 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.375 9.615 9.360 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.098 10.951 9.074 1.00 0.00 O ATOM 0 H GLU A 35 9.861 6.269 8.901 1.00 0.00 H new ATOM 0 HA GLU A 35 7.327 6.379 10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.161 7.180 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.700 7.696 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.934 8.325 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.306 8.881 8.264 1.00 0.00 H new ATOM 513 N GLY A 36 7.551 4.581 7.418 1.00 0.00 N ATOM 514 CA GLY A 36 6.911 3.511 6.675 1.00 0.00 C ATOM 515 C GLY A 36 7.220 2.138 7.235 1.00 0.00 C ATOM 516 O GLY A 36 6.963 1.128 6.585 1.00 0.00 O ATOM 0 H GLY A 36 8.413 4.933 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.832 3.666 6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.233 3.555 5.635 1.00 0.00 H new ATOM 520 N GLY A 37 7.771 2.098 8.446 1.00 0.00 N ATOM 521 CA GLY A 37 8.101 0.831 9.063 1.00 0.00 C ATOM 522 C GLY A 37 6.900 -0.084 9.219 1.00 0.00 C ATOM 523 O GLY A 37 7.053 -1.265 9.531 1.00 0.00 O ATOM 0 H GLY A 37 7.993 2.920 9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.859 0.327 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.541 1.014 10.043 1.00 0.00 H new ATOM 527 N LYS A 38 5.702 0.450 8.996 1.00 0.00 N ATOM 528 CA LYS A 38 4.487 -0.342 9.109 1.00 0.00 C ATOM 529 C LYS A 38 3.415 0.166 8.152 1.00 0.00 C ATOM 530 O LYS A 38 3.008 1.327 8.208 1.00 0.00 O ATOM 531 CB LYS A 38 3.966 -0.324 10.548 1.00 0.00 C ATOM 532 CG LYS A 38 3.695 1.072 11.084 1.00 0.00 C ATOM 533 CD LYS A 38 2.396 1.124 11.874 1.00 0.00 C ATOM 534 CE LYS A 38 1.369 2.021 11.202 1.00 0.00 C ATOM 535 NZ LYS A 38 0.135 2.160 12.023 1.00 0.00 N ATOM 0 H LYS A 38 5.550 1.425 8.737 1.00 0.00 H new ATOM 0 HA LYS A 38 4.728 -1.370 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.047 -0.908 10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.693 -0.817 11.194 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.522 1.385 11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.646 1.778 10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.990 0.117 11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.596 1.490 12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.804 3.006 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.112 1.611 10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.541 2.779 11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.294 1.223 12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.377 2.575 12.945 1.00 0.00 H new ATOM 549 N ALA A 39 2.962 -0.719 7.276 1.00 0.00 N ATOM 550 CA ALA A 39 1.934 -0.384 6.301 1.00 0.00 C ATOM 551 C ALA A 39 0.868 -1.470 6.264 1.00 0.00 C ATOM 552 O ALA A 39 1.167 -2.652 6.428 1.00 0.00 O ATOM 553 CB ALA A 39 2.549 -0.200 4.919 1.00 0.00 C ATOM 0 H ALA A 39 3.293 -1.682 7.221 1.00 0.00 H new ATOM 0 HA ALA A 39 1.467 0.555 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.766 0.050 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.282 0.606 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.039 -1.124 4.613 1.00 0.00 H new ATOM 559 N SER A 40 -0.373 -1.064 6.048 1.00 0.00 N ATOM 560 CA SER A 40 -1.481 -2.006 5.991 1.00 0.00 C ATOM 561 C SER A 40 -2.109 -2.013 4.605 1.00 0.00 C ATOM 562 O SER A 40 -2.142 -3.039 3.930 1.00 0.00 O ATOM 563 CB SER A 40 -2.536 -1.659 7.043 1.00 0.00 C ATOM 564 OG SER A 40 -2.712 -0.257 7.148 1.00 0.00 O ATOM 0 H SER A 40 -0.639 -0.089 5.909 1.00 0.00 H new ATOM 0 HA SER A 40 -1.090 -3.002 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.484 -2.129 6.780 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.237 -2.064 8.010 1.00 0.00 H new ATOM 0 HG SER A 40 -3.393 -0.063 7.826 1.00 0.00 H new ATOM 570 N ASP A 41 -2.552 -0.850 4.157 1.00 0.00 N ATOM 571 CA ASP A 41 -3.114 -0.695 2.832 1.00 0.00 C ATOM 572 C ASP A 41 -2.081 -0.033 1.936 1.00 0.00 C ATOM 573 O ASP A 41 -2.241 1.127 1.555 1.00 0.00 O ATOM 574 CB ASP A 41 -4.393 0.143 2.879 1.00 0.00 C ATOM 575 CG ASP A 41 -5.450 -0.462 3.780 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.079 -1.065 4.810 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.650 -0.334 3.457 1.00 0.00 O ATOM 0 H ASP A 41 -2.531 0.011 4.704 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.374 -1.676 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.153 1.147 3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.794 0.244 1.871 1.00 0.00 H new ATOM 582 N PHE A 42 -1.031 -0.754 1.591 1.00 0.00 N ATOM 583 CA PHE A 42 0.002 -0.196 0.727 1.00 0.00 C ATOM 584 C PHE A 42 -0.301 -0.523 -0.725 1.00 0.00 C ATOM 585 O PHE A 42 -0.143 -1.662 -1.162 1.00 0.00 O ATOM 586 CB PHE A 42 1.390 -0.724 1.109 1.00 0.00 C ATOM 587 CG PHE A 42 2.522 0.094 0.543 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.488 1.477 0.607 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.618 -0.518 -0.053 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.522 2.236 0.092 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.654 0.238 -0.571 1.00 0.00 C ATOM 592 CZ PHE A 42 4.605 1.616 -0.497 1.00 0.00 C ATOM 0 H PHE A 42 -0.868 -1.716 1.889 1.00 0.00 H new ATOM 0 HA PHE A 42 0.005 0.886 0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.475 -0.745 2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.487 -1.753 0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.643 1.969 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.661 -1.595 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.482 3.314 0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.500 -0.249 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.414 2.208 -0.900 1.00 0.00 H new ATOM 602 N VAL A 43 -0.739 0.482 -1.471 1.00 0.00 N ATOM 603 CA VAL A 43 -1.067 0.299 -2.872 1.00 0.00 C ATOM 604 C VAL A 43 0.179 0.426 -3.734 1.00 0.00 C ATOM 605 O VAL A 43 0.611 1.530 -4.066 1.00 0.00 O ATOM 606 CB VAL A 43 -2.120 1.322 -3.333 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.522 1.076 -4.781 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.334 1.273 -2.419 1.00 0.00 C ATOM 0 H VAL A 43 -0.874 1.432 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.481 -0.703 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.681 2.318 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.267 1.812 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.645 1.164 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.942 0.075 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.072 2.001 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.770 0.275 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.031 1.508 -1.399 1.00 0.00 H new ATOM 618 N LEU A 44 0.760 -0.714 -4.079 1.00 0.00 N ATOM 619 CA LEU A 44 1.964 -0.736 -4.889 1.00 0.00 C ATOM 620 C LEU A 44 1.610 -0.762 -6.366 1.00 0.00 C ATOM 621 O LEU A 44 0.668 -1.432 -6.777 1.00 0.00 O ATOM 622 CB LEU A 44 2.829 -1.947 -4.530 1.00 0.00 C ATOM 623 CG LEU A 44 4.282 -1.621 -4.185 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.099 -2.895 -4.046 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.888 -0.711 -5.242 1.00 0.00 C ATOM 0 H LEU A 44 0.415 -1.635 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 44 2.533 0.171 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.376 -2.460 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.817 -2.644 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 44 4.299 -1.098 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.130 -2.641 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.678 -3.512 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.075 -3.447 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.923 -0.489 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.857 -1.208 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.319 0.217 -5.292 1.00 0.00 H new ATOM 637 N ALA A 45 2.378 -0.024 -7.154 1.00 0.00 N ATOM 638 CA ALA A 45 2.159 0.047 -8.591 1.00 0.00 C ATOM 639 C ALA A 45 3.137 -0.856 -9.329 1.00 0.00 C ATOM 640 O ALA A 45 4.319 -0.533 -9.455 1.00 0.00 O ATOM 641 CB ALA A 45 2.303 1.480 -9.073 1.00 0.00 C ATOM 0 H ALA A 45 3.162 0.537 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 45 1.146 -0.297 -8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.137 1.520 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.569 2.109 -8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.306 1.841 -8.847 1.00 0.00 H new ATOM 647 N MET A 46 2.648 -1.991 -9.810 1.00 0.00 N ATOM 648 CA MET A 46 3.493 -2.934 -10.526 1.00 0.00 C ATOM 649 C MET A 46 3.935 -2.369 -11.870 1.00 0.00 C ATOM 650 O MET A 46 3.398 -2.728 -12.919 1.00 0.00 O ATOM 651 CB MET A 46 2.766 -4.262 -10.715 1.00 0.00 C ATOM 652 CG MET A 46 3.351 -5.379 -9.869 1.00 0.00 C ATOM 653 SD MET A 46 4.550 -6.376 -10.775 1.00 0.00 S ATOM 654 CE MET A 46 6.061 -5.475 -10.441 1.00 0.00 C ATOM 0 H MET A 46 1.674 -2.279 -9.717 1.00 0.00 H new ATOM 0 HA MET A 46 4.387 -3.107 -9.927 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.714 -4.134 -10.462 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.809 -4.548 -11.766 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.831 -4.951 -8.989 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.545 -6.021 -9.513 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.843 -5.811 -11.122 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.888 -4.408 -10.585 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.373 -5.656 -9.412 1.00 0.00 H new ATOM 664 N GLY A 47 4.928 -1.487 -11.817 1.00 0.00 N ATOM 665 CA GLY A 47 5.455 -0.875 -13.024 1.00 0.00 C ATOM 666 C GLY A 47 4.996 0.559 -13.202 1.00 0.00 C ATOM 667 O GLY A 47 4.211 0.860 -14.101 1.00 0.00 O ATOM 0 H GLY A 47 5.380 -1.184 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.544 -0.902 -12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.145 -1.461 -13.889 1.00 0.00 H new ATOM 671 N GLN A 48 5.492 1.444 -12.345 1.00 0.00 N ATOM 672 CA GLN A 48 5.141 2.857 -12.408 1.00 0.00 C ATOM 673 C GLN A 48 6.398 3.713 -12.477 1.00 0.00 C ATOM 674 O GLN A 48 6.670 4.359 -13.487 1.00 0.00 O ATOM 675 CB GLN A 48 4.308 3.249 -11.189 1.00 0.00 C ATOM 676 CG GLN A 48 3.272 4.324 -11.473 1.00 0.00 C ATOM 677 CD GLN A 48 3.588 5.638 -10.783 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.732 6.673 -11.433 1.00 0.00 O ATOM 679 NE2 GLN A 48 3.695 5.601 -9.460 1.00 0.00 N ATOM 0 H GLN A 48 6.141 1.206 -11.595 1.00 0.00 H new ATOM 0 HA GLN A 48 4.551 3.028 -13.309 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.802 2.363 -10.806 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.976 3.600 -10.402 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.211 4.489 -12.549 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.292 3.974 -11.148 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.568 4.720 -8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.905 6.454 -8.941 1.00 0.00 H new ATOM 688 N GLY A 49 7.166 3.701 -11.395 1.00 0.00 N ATOM 689 CA GLY A 49 8.395 4.469 -11.351 1.00 0.00 C ATOM 690 C GLY A 49 9.611 3.607 -11.614 1.00 0.00 C ATOM 691 O GLY A 49 10.409 3.903 -12.503 1.00 0.00 O ATOM 0 H GLY A 49 6.960 3.173 -10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.350 5.268 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.491 4.944 -10.375 1.00 0.00 H new ATOM 695 N ARG A 50 9.748 2.532 -10.840 1.00 0.00 N ATOM 696 CA ARG A 50 10.871 1.613 -10.987 1.00 0.00 C ATOM 697 C ARG A 50 10.841 0.538 -9.901 1.00 0.00 C ATOM 698 O ARG A 50 11.686 0.521 -9.008 1.00 0.00 O ATOM 699 CB ARG A 50 12.196 2.372 -10.924 1.00 0.00 C ATOM 700 CG ARG A 50 12.417 3.109 -9.612 1.00 0.00 C ATOM 701 CD ARG A 50 13.868 3.024 -9.163 1.00 0.00 C ATOM 702 NE ARG A 50 14.787 2.988 -10.297 1.00 0.00 N ATOM 703 CZ ARG A 50 14.935 3.989 -11.159 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.273 5.127 -10.986 1.00 0.00 N ATOM 705 NH2 ARG A 50 15.761 3.864 -12.189 1.00 0.00 N ATOM 0 H ARG A 50 9.091 2.277 -10.102 1.00 0.00 H new ATOM 0 HA ARG A 50 10.783 1.130 -11.960 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.015 1.669 -11.078 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.233 3.089 -11.744 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.132 4.155 -9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.771 2.686 -8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.104 3.881 -8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 50 14.008 2.131 -8.554 1.00 0.00 H new ATOM 0 HE ARG A 50 15.347 2.147 -10.436 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.647 5.237 -10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.391 5.892 -11.651 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.284 2.998 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.873 4.633 -12.849 1.00 0.00 H new ATOM 719 N MET A 51 9.865 -0.361 -9.987 1.00 0.00 N ATOM 720 CA MET A 51 9.734 -1.438 -9.009 1.00 0.00 C ATOM 721 C MET A 51 11.068 -2.153 -8.804 1.00 0.00 C ATOM 722 O MET A 51 11.562 -2.835 -9.702 1.00 0.00 O ATOM 723 CB MET A 51 8.664 -2.435 -9.462 1.00 0.00 C ATOM 724 CG MET A 51 7.929 -3.103 -8.311 1.00 0.00 C ATOM 725 SD MET A 51 6.316 -2.363 -7.993 1.00 0.00 S ATOM 726 CE MET A 51 6.768 -0.638 -7.827 1.00 0.00 C ATOM 0 H MET A 51 9.156 -0.366 -10.720 1.00 0.00 H new ATOM 0 HA MET A 51 9.432 -1.001 -8.057 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.941 -1.918 -10.093 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.132 -3.203 -10.078 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.801 -4.162 -8.533 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.538 -3.038 -7.410 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.875 -0.046 -7.627 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.472 -0.524 -7.002 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.233 -0.293 -8.751 1.00 0.00 H new ATOM 736 N ILE A 52 11.641 -1.994 -7.616 1.00 0.00 N ATOM 737 CA ILE A 52 12.917 -2.631 -7.292 1.00 0.00 C ATOM 738 C ILE A 52 12.756 -4.144 -7.186 1.00 0.00 C ATOM 739 O ILE A 52 11.639 -4.646 -7.067 1.00 0.00 O ATOM 740 CB ILE A 52 13.536 -2.096 -5.972 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.459 -1.569 -5.014 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.559 -1.011 -6.275 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.995 -1.191 -3.651 1.00 0.00 C ATOM 0 H ILE A 52 11.246 -1.432 -6.862 1.00 0.00 H new ATOM 0 HA ILE A 52 13.595 -2.383 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 52 14.036 -2.928 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.981 -0.698 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.687 -2.330 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.986 -0.643 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.352 -1.423 -6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 52 14.073 -0.189 -6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 52 12.179 -0.827 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.448 -2.065 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.746 -0.408 -3.760 1.00 0.00 H new ATOM 755 N PRO A 53 13.871 -4.897 -7.220 1.00 0.00 N ATOM 756 CA PRO A 53 13.831 -6.359 -7.119 1.00 0.00 C ATOM 757 C PRO A 53 13.207 -6.821 -5.806 1.00 0.00 C ATOM 758 O PRO A 53 12.811 -7.976 -5.672 1.00 0.00 O ATOM 759 CB PRO A 53 15.306 -6.774 -7.190 1.00 0.00 C ATOM 760 CG PRO A 53 16.071 -5.544 -6.842 1.00 0.00 C ATOM 761 CD PRO A 53 15.249 -4.394 -7.349 1.00 0.00 C ATOM 0 HA PRO A 53 13.221 -6.805 -7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.522 -7.583 -6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.567 -7.133 -8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.224 -5.470 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.058 -5.553 -7.305 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.407 -3.492 -6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.494 -4.146 -8.382 1.00 0.00 H new ATOM 769 N GLY A 54 13.120 -5.907 -4.844 1.00 0.00 N ATOM 770 CA GLY A 54 12.538 -6.234 -3.557 1.00 0.00 C ATOM 771 C GLY A 54 11.029 -6.356 -3.619 1.00 0.00 C ATOM 772 O GLY A 54 10.474 -7.437 -3.407 1.00 0.00 O ATOM 0 H GLY A 54 13.443 -4.944 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.961 -7.172 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.808 -5.465 -2.833 1.00 0.00 H new ATOM 776 N PHE A 55 10.363 -5.251 -3.931 1.00 0.00 N ATOM 777 CA PHE A 55 8.916 -5.260 -4.041 1.00 0.00 C ATOM 778 C PHE A 55 8.497 -6.133 -5.216 1.00 0.00 C ATOM 779 O PHE A 55 7.631 -6.998 -5.090 1.00 0.00 O ATOM 780 CB PHE A 55 8.375 -3.840 -4.239 1.00 0.00 C ATOM 781 CG PHE A 55 8.215 -3.043 -2.971 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.314 -3.429 -1.990 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.962 -1.893 -2.768 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.163 -2.689 -0.837 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.812 -1.147 -1.612 1.00 0.00 C ATOM 786 CZ PHE A 55 7.912 -1.546 -0.646 1.00 0.00 C ATOM 0 H PHE A 55 10.800 -4.347 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 55 8.503 -5.663 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.045 -3.301 -4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.408 -3.901 -4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.723 -4.322 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.669 -1.576 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.458 -3.004 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.400 -0.253 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.794 -0.966 0.257 1.00 0.00 H new ATOM 796 N GLU A 56 9.137 -5.906 -6.361 1.00 0.00 N ATOM 797 CA GLU A 56 8.855 -6.673 -7.570 1.00 0.00 C ATOM 798 C GLU A 56 8.961 -8.172 -7.295 1.00 0.00 C ATOM 799 O GLU A 56 8.375 -8.988 -8.008 1.00 0.00 O ATOM 800 CB GLU A 56 9.823 -6.271 -8.685 1.00 0.00 C ATOM 801 CG GLU A 56 9.339 -6.638 -10.079 1.00 0.00 C ATOM 802 CD GLU A 56 9.805 -8.014 -10.514 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.028 -8.260 -10.495 1.00 0.00 O ATOM 804 OE2 GLU A 56 8.945 -8.846 -10.872 1.00 0.00 O ATOM 0 H GLU A 56 9.858 -5.193 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 56 7.836 -6.453 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.988 -5.195 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.786 -6.749 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.250 -6.603 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.697 -5.895 -10.791 1.00 0.00 H new ATOM 811 N ASP A 57 9.709 -8.527 -6.252 1.00 0.00 N ATOM 812 CA ASP A 57 9.883 -9.923 -5.877 1.00 0.00 C ATOM 813 C ASP A 57 8.587 -10.497 -5.320 1.00 0.00 C ATOM 814 O ASP A 57 7.906 -11.274 -5.990 1.00 0.00 O ATOM 815 CB ASP A 57 10.999 -10.064 -4.839 1.00 0.00 C ATOM 816 CG ASP A 57 12.188 -10.843 -5.366 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.866 -10.343 -6.287 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.442 -11.954 -4.854 1.00 0.00 O ATOM 0 H ASP A 57 10.203 -7.865 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 57 10.158 -10.481 -6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.328 -9.073 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.606 -10.563 -3.953 1.00 0.00 H new ATOM 823 N GLY A 58 8.268 -10.141 -4.076 1.00 0.00 N ATOM 824 CA GLY A 58 7.069 -10.662 -3.442 1.00 0.00 C ATOM 825 C GLY A 58 5.797 -10.030 -3.963 1.00 0.00 C ATOM 826 O GLY A 58 4.844 -10.729 -4.306 1.00 0.00 O ATOM 0 H GLY A 58 8.817 -9.504 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.022 -11.740 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.134 -10.498 -2.366 1.00 0.00 H new ATOM 830 N ILE A 59 5.779 -8.706 -4.017 1.00 0.00 N ATOM 831 CA ILE A 59 4.631 -7.957 -4.487 1.00 0.00 C ATOM 832 C ILE A 59 4.529 -7.991 -6.002 1.00 0.00 C ATOM 833 O ILE A 59 4.061 -7.045 -6.637 1.00 0.00 O ATOM 834 CB ILE A 59 4.734 -6.509 -3.987 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.056 -6.506 -2.492 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.452 -5.745 -4.266 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.523 -6.662 -2.174 1.00 0.00 C ATOM 0 H ILE A 59 6.566 -8.122 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 59 3.727 -8.418 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 59 5.538 -6.006 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.699 -5.573 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.504 -7.314 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.551 -4.722 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.263 -5.731 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.620 -6.232 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.664 -6.650 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.884 -7.609 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.082 -5.841 -2.622 1.00 0.00 H new ATOM 849 N LYS A 60 4.904 -9.135 -6.548 1.00 0.00 N ATOM 850 CA LYS A 60 4.782 -9.349 -7.981 1.00 0.00 C ATOM 851 C LYS A 60 3.338 -9.011 -8.338 1.00 0.00 C ATOM 852 O LYS A 60 3.055 -8.253 -9.263 1.00 0.00 O ATOM 853 CB LYS A 60 5.130 -10.787 -8.405 1.00 0.00 C ATOM 854 CG LYS A 60 5.153 -11.803 -7.273 1.00 0.00 C ATOM 855 CD LYS A 60 5.661 -13.155 -7.756 1.00 0.00 C ATOM 856 CE LYS A 60 6.654 -13.763 -6.776 1.00 0.00 C ATOM 857 NZ LYS A 60 8.037 -13.793 -7.331 1.00 0.00 N ATOM 0 H LYS A 60 5.291 -9.923 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 60 5.493 -8.717 -8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.407 -11.114 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.107 -10.781 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.790 -11.439 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.150 -11.915 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.819 -13.834 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.135 -13.039 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.647 -13.189 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.342 -14.777 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.543 -14.622 -6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.994 -13.851 -8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.541 -12.927 -7.054 1.00 0.00 H new ATOM 871 N GLY A 61 2.437 -9.632 -7.588 1.00 0.00 N ATOM 872 CA GLY A 61 1.016 -9.470 -7.793 1.00 0.00 C ATOM 873 C GLY A 61 0.424 -10.743 -8.334 1.00 0.00 C ATOM 874 O GLY A 61 -0.305 -10.749 -9.325 1.00 0.00 O ATOM 0 H GLY A 61 2.678 -10.261 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.533 -9.206 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.832 -8.650 -8.487 1.00 0.00 H new ATOM 878 N HIS A 62 0.772 -11.837 -7.667 1.00 0.00 N ATOM 879 CA HIS A 62 0.304 -13.164 -8.071 1.00 0.00 C ATOM 880 C HIS A 62 -0.419 -13.897 -6.940 1.00 0.00 C ATOM 881 O HIS A 62 -1.184 -14.829 -7.193 1.00 0.00 O ATOM 882 CB HIS A 62 1.477 -14.012 -8.576 1.00 0.00 C ATOM 883 CG HIS A 62 2.425 -14.460 -7.501 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.162 -15.624 -7.585 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.761 -13.896 -6.314 1.00 0.00 C ATOM 886 CE1 HIS A 62 3.906 -15.758 -6.502 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.682 -14.722 -5.716 1.00 0.00 N ATOM 0 H HIS A 62 1.376 -11.835 -6.845 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.415 -13.016 -8.877 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.082 -14.891 -9.085 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.032 -13.438 -9.317 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.376 -12.970 -5.913 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.581 -16.575 -6.295 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.122 -14.560 -4.810 1.00 0.00 H new ATOM 895 N LYS A 63 -0.177 -13.493 -5.698 1.00 0.00 N ATOM 896 CA LYS A 63 -0.815 -14.142 -4.555 1.00 0.00 C ATOM 897 C LYS A 63 -1.728 -13.182 -3.802 1.00 0.00 C ATOM 898 O LYS A 63 -1.333 -12.601 -2.792 1.00 0.00 O ATOM 899 CB LYS A 63 0.240 -14.699 -3.600 1.00 0.00 C ATOM 900 CG LYS A 63 0.871 -15.996 -4.078 1.00 0.00 C ATOM 901 CD LYS A 63 0.202 -17.206 -3.446 1.00 0.00 C ATOM 902 CE LYS A 63 -0.171 -18.248 -4.488 1.00 0.00 C ATOM 903 NZ LYS A 63 -0.868 -19.415 -3.882 1.00 0.00 N ATOM 0 H LYS A 63 0.450 -12.726 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.423 -14.959 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.023 -13.953 -3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.217 -14.865 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.794 -16.061 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.933 -15.997 -3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.873 -17.650 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.693 -16.889 -2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.813 -17.793 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.729 -18.588 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.105 -20.102 -4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.246 -19.865 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.741 -19.094 -3.416 1.00 0.00 H new ATOM 917 N ALA A 64 -2.956 -13.038 -4.283 1.00 0.00 N ATOM 918 CA ALA A 64 -3.927 -12.171 -3.633 1.00 0.00 C ATOM 919 C ALA A 64 -4.178 -12.624 -2.194 1.00 0.00 C ATOM 920 O ALA A 64 -4.968 -13.539 -1.954 1.00 0.00 O ATOM 921 CB ALA A 64 -5.227 -12.150 -4.423 1.00 0.00 C ATOM 0 H ALA A 64 -3.302 -13.509 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.522 -11.159 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.945 -11.498 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.035 -11.778 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.634 -13.160 -4.481 1.00 0.00 H new ATOM 927 N GLY A 65 -3.504 -11.986 -1.242 1.00 0.00 N ATOM 928 CA GLY A 65 -3.674 -12.346 0.158 1.00 0.00 C ATOM 929 C GLY A 65 -2.528 -13.192 0.680 1.00 0.00 C ATOM 930 O GLY A 65 -2.741 -14.142 1.433 1.00 0.00 O ATOM 0 H GLY A 65 -2.844 -11.227 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.754 -11.439 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.610 -12.892 0.279 1.00 0.00 H new ATOM 934 N GLU A 66 -1.311 -12.855 0.262 1.00 0.00 N ATOM 935 CA GLU A 66 -0.119 -13.596 0.670 1.00 0.00 C ATOM 936 C GLU A 66 0.607 -12.921 1.831 1.00 0.00 C ATOM 937 O GLU A 66 0.347 -11.764 2.154 1.00 0.00 O ATOM 938 CB GLU A 66 0.834 -13.723 -0.517 1.00 0.00 C ATOM 939 CG GLU A 66 1.444 -15.107 -0.670 1.00 0.00 C ATOM 940 CD GLU A 66 2.731 -15.090 -1.470 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.211 -13.987 -1.805 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.262 -16.183 -1.762 1.00 0.00 O ATOM 0 H GLU A 66 -1.123 -12.070 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.442 -14.581 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.296 -13.470 -1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.636 -12.993 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.640 -15.525 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.725 -15.765 -1.158 1.00 0.00 H new ATOM 949 N GLU A 67 1.537 -13.661 2.436 1.00 0.00 N ATOM 950 CA GLU A 67 2.346 -13.160 3.547 1.00 0.00 C ATOM 951 C GLU A 67 3.807 -13.561 3.338 1.00 0.00 C ATOM 952 O GLU A 67 4.177 -14.715 3.556 1.00 0.00 O ATOM 953 CB GLU A 67 1.824 -13.699 4.883 1.00 0.00 C ATOM 954 CG GLU A 67 1.579 -15.200 4.887 1.00 0.00 C ATOM 955 CD GLU A 67 0.515 -15.616 5.885 1.00 0.00 C ATOM 956 OE1 GLU A 67 -0.577 -15.007 5.878 1.00 0.00 O ATOM 957 OE2 GLU A 67 0.772 -16.551 6.673 1.00 0.00 O ATOM 0 H GLU A 67 1.750 -14.622 2.170 1.00 0.00 H new ATOM 0 HA GLU A 67 2.276 -12.073 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.541 -13.455 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.894 -13.188 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.279 -15.518 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.511 -15.716 5.119 1.00 0.00 H new ATOM 964 N PHE A 68 4.629 -12.618 2.877 1.00 0.00 N ATOM 965 CA PHE A 68 6.042 -12.898 2.596 1.00 0.00 C ATOM 966 C PHE A 68 6.962 -11.807 3.142 1.00 0.00 C ATOM 967 O PHE A 68 6.512 -10.727 3.519 1.00 0.00 O ATOM 968 CB PHE A 68 6.245 -13.025 1.096 1.00 0.00 C ATOM 969 CG PHE A 68 5.697 -11.847 0.365 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.450 -10.696 0.229 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.419 -11.880 -0.154 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.934 -9.595 -0.422 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.897 -10.785 -0.802 1.00 0.00 C ATOM 974 CZ PHE A 68 4.653 -9.640 -0.937 1.00 0.00 C ATOM 0 H PHE A 68 4.345 -11.656 2.690 1.00 0.00 H new ATOM 0 HA PHE A 68 6.300 -13.832 3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.309 -13.125 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.760 -13.933 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.450 -10.658 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.823 -12.774 -0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.530 -8.700 -0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.896 -10.822 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.244 -8.779 -1.445 1.00 0.00 H new ATOM 984 N THR A 69 8.261 -12.100 3.167 1.00 0.00 N ATOM 985 CA THR A 69 9.254 -11.146 3.655 1.00 0.00 C ATOM 986 C THR A 69 10.335 -10.889 2.605 1.00 0.00 C ATOM 987 O THR A 69 11.079 -11.796 2.233 1.00 0.00 O ATOM 988 CB THR A 69 9.896 -11.665 4.944 1.00 0.00 C ATOM 989 OG1 THR A 69 8.910 -12.040 5.895 1.00 0.00 O ATOM 990 CG2 THR A 69 10.806 -10.651 5.605 1.00 0.00 C ATOM 0 H THR A 69 8.650 -12.990 2.855 1.00 0.00 H new ATOM 0 HA THR A 69 8.744 -10.205 3.859 1.00 0.00 H new ATOM 0 HB THR A 69 10.489 -12.527 4.638 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.348 -12.369 6.708 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.230 -11.080 6.513 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.611 -10.384 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.233 -9.759 5.858 1.00 0.00 H new ATOM 998 N ILE A 70 10.421 -9.645 2.132 1.00 0.00 N ATOM 999 CA ILE A 70 11.418 -9.275 1.131 1.00 0.00 C ATOM 1000 C ILE A 70 12.166 -8.013 1.541 1.00 0.00 C ATOM 1001 O ILE A 70 11.715 -7.268 2.412 1.00 0.00 O ATOM 1002 CB ILE A 70 10.781 -9.057 -0.262 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.993 -7.742 -0.311 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.886 -10.231 -0.628 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.776 -7.721 0.586 1.00 0.00 C ATOM 0 H ILE A 70 9.814 -8.880 2.426 1.00 0.00 H new ATOM 0 HA ILE A 70 12.119 -10.107 1.068 1.00 0.00 H new ATOM 0 HB ILE A 70 11.586 -8.992 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.654 -6.923 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.678 -7.557 -1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.446 -10.061 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.477 -11.147 -0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.092 -10.328 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.273 -6.758 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.092 -8.517 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.084 -7.873 1.621 1.00 0.00 H new ATOM 1017 N ASP A 71 13.289 -7.753 0.879 1.00 0.00 N ATOM 1018 CA ASP A 71 14.074 -6.554 1.140 1.00 0.00 C ATOM 1019 C ASP A 71 13.698 -5.472 0.136 1.00 0.00 C ATOM 1020 O ASP A 71 13.326 -5.781 -0.991 1.00 0.00 O ATOM 1021 CB ASP A 71 15.572 -6.859 1.038 1.00 0.00 C ATOM 1022 CG ASP A 71 16.436 -5.733 1.576 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.291 -4.590 1.094 1.00 0.00 O ATOM 1024 OD2 ASP A 71 17.259 -5.994 2.477 1.00 0.00 O ATOM 0 H ASP A 71 13.676 -8.359 0.156 1.00 0.00 H new ATOM 0 HA ASP A 71 13.860 -6.206 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.791 -7.774 1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.831 -7.044 -0.004 1.00 0.00 H new ATOM 1029 N VAL A 72 13.825 -4.212 0.523 1.00 0.00 N ATOM 1030 CA VAL A 72 13.525 -3.106 -0.381 1.00 0.00 C ATOM 1031 C VAL A 72 14.452 -1.929 -0.090 1.00 0.00 C ATOM 1032 O VAL A 72 14.604 -1.521 1.060 1.00 0.00 O ATOM 1033 CB VAL A 72 12.052 -2.663 -0.279 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.831 -1.273 -0.872 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.136 -3.677 -0.950 1.00 0.00 C ATOM 0 H VAL A 72 14.132 -3.928 1.453 1.00 0.00 H new ATOM 0 HA VAL A 72 13.691 -3.456 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 72 11.804 -2.612 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.780 -1.001 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.443 -0.547 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.113 -1.278 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.101 -3.344 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.404 -3.768 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.246 -4.646 -0.462 1.00 0.00 H new ATOM 1045 N THR A 73 15.056 -1.369 -1.134 1.00 0.00 N ATOM 1046 CA THR A 73 15.949 -0.230 -0.989 1.00 0.00 C ATOM 1047 C THR A 73 15.796 0.665 -2.212 1.00 0.00 C ATOM 1048 O THR A 73 15.938 0.207 -3.344 1.00 0.00 O ATOM 1049 CB THR A 73 17.401 -0.702 -0.840 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.632 -1.209 0.463 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.429 0.382 -1.096 1.00 0.00 C ATOM 0 H THR A 73 14.940 -1.690 -2.095 1.00 0.00 H new ATOM 0 HA THR A 73 15.690 0.331 -0.091 1.00 0.00 H new ATOM 0 HB THR A 73 17.523 -1.475 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.777 -1.309 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.431 -0.030 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.315 0.758 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.281 1.198 -0.388 1.00 0.00 H new ATOM 1059 N PHE A 74 15.485 1.934 -1.989 1.00 0.00 N ATOM 1060 CA PHE A 74 15.292 2.868 -3.087 1.00 0.00 C ATOM 1061 C PHE A 74 16.621 3.459 -3.555 1.00 0.00 C ATOM 1062 O PHE A 74 17.432 3.902 -2.742 1.00 0.00 O ATOM 1063 CB PHE A 74 14.326 3.965 -2.661 1.00 0.00 C ATOM 1064 CG PHE A 74 12.919 3.464 -2.487 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.634 2.434 -1.601 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.887 4.016 -3.219 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.339 1.969 -1.453 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.590 3.557 -3.075 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.316 2.533 -2.191 1.00 0.00 C ATOM 0 H PHE A 74 15.361 2.339 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 74 14.865 2.328 -3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.670 4.403 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.335 4.760 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.431 1.991 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.095 4.817 -3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.128 1.166 -0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.793 3.999 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.304 2.173 -2.076 1.00 0.00 H new ATOM 1079 N PRO A 75 16.864 3.465 -4.879 1.00 0.00 N ATOM 1080 CA PRO A 75 18.105 3.995 -5.455 1.00 0.00 C ATOM 1081 C PRO A 75 18.236 5.506 -5.297 1.00 0.00 C ATOM 1082 O PRO A 75 17.350 6.166 -4.754 1.00 0.00 O ATOM 1083 CB PRO A 75 17.999 3.631 -6.937 1.00 0.00 C ATOM 1084 CG PRO A 75 16.539 3.486 -7.192 1.00 0.00 C ATOM 1085 CD PRO A 75 15.954 2.946 -5.919 1.00 0.00 C ATOM 0 HA PRO A 75 18.981 3.581 -4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.435 4.407 -7.567 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.532 2.706 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.090 4.445 -7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.353 2.809 -8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.932 3.292 -5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.925 1.856 -5.920 1.00 0.00 H new ATOM 1093 N GLU A 76 19.350 6.041 -5.781 1.00 0.00 N ATOM 1094 CA GLU A 76 19.614 7.473 -5.708 1.00 0.00 C ATOM 1095 C GLU A 76 18.782 8.237 -6.738 1.00 0.00 C ATOM 1096 O GLU A 76 18.661 9.461 -6.666 1.00 0.00 O ATOM 1097 CB GLU A 76 21.101 7.745 -5.936 1.00 0.00 C ATOM 1098 CG GLU A 76 21.664 8.856 -5.062 1.00 0.00 C ATOM 1099 CD GLU A 76 23.177 8.907 -5.088 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.813 7.947 -4.602 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.730 9.904 -5.598 1.00 0.00 O ATOM 0 H GLU A 76 20.089 5.501 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 76 19.332 7.820 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.661 6.829 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.257 8.005 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.266 9.814 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.327 8.712 -4.036 1.00 0.00 H new ATOM 1108 N GLU A 77 18.215 7.511 -7.699 1.00 0.00 N ATOM 1109 CA GLU A 77 17.403 8.130 -8.740 1.00 0.00 C ATOM 1110 C GLU A 77 15.947 8.276 -8.295 1.00 0.00 C ATOM 1111 O GLU A 77 15.273 9.236 -8.668 1.00 0.00 O ATOM 1112 CB GLU A 77 17.490 7.323 -10.041 1.00 0.00 C ATOM 1113 CG GLU A 77 17.372 5.821 -9.850 1.00 0.00 C ATOM 1114 CD GLU A 77 18.607 5.071 -10.316 1.00 0.00 C ATOM 1115 OE1 GLU A 77 19.541 4.900 -9.505 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.639 4.659 -11.495 1.00 0.00 O ATOM 0 H GLU A 77 18.303 6.498 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 77 17.798 9.129 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.701 7.655 -10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.440 7.543 -10.529 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.198 5.606 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.503 5.457 -10.398 1.00 0.00 H new ATOM 1123 N TYR A 78 15.467 7.334 -7.484 1.00 0.00 N ATOM 1124 CA TYR A 78 14.094 7.392 -6.985 1.00 0.00 C ATOM 1125 C TYR A 78 13.915 8.628 -6.114 1.00 0.00 C ATOM 1126 O TYR A 78 13.231 9.581 -6.489 1.00 0.00 O ATOM 1127 CB TYR A 78 13.758 6.131 -6.176 1.00 0.00 C ATOM 1128 CG TYR A 78 12.274 5.860 -6.057 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.458 6.632 -5.232 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.688 4.826 -6.773 1.00 0.00 C ATOM 1131 CE1 TYR A 78 10.103 6.376 -5.132 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.335 4.568 -6.680 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.546 5.346 -5.858 1.00 0.00 C ATOM 1134 OH TYR A 78 8.197 5.092 -5.762 1.00 0.00 O ATOM 0 H TYR A 78 16.003 6.529 -7.161 1.00 0.00 H new ATOM 0 HA TYR A 78 13.416 7.447 -7.837 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.239 5.272 -6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.182 6.228 -5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.890 7.442 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.302 4.212 -7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.483 6.981 -4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.896 3.761 -7.248 1.00 0.00 H new ATOM 0 HH TYR A 78 7.965 4.334 -6.338 1.00 0.00 H new ATOM 1144 N HIS A 79 14.564 8.600 -4.955 1.00 0.00 N ATOM 1145 CA HIS A 79 14.533 9.700 -3.998 1.00 0.00 C ATOM 1146 C HIS A 79 13.183 10.421 -3.944 1.00 0.00 C ATOM 1147 O HIS A 79 13.046 11.536 -4.449 1.00 0.00 O ATOM 1148 CB HIS A 79 15.654 10.683 -4.309 1.00 0.00 C ATOM 1149 CG HIS A 79 16.979 10.217 -3.797 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.076 11.039 -3.663 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.372 8.994 -3.365 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.089 10.345 -3.172 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.686 9.101 -2.982 1.00 0.00 N ATOM 0 H HIS A 79 15.130 7.808 -4.651 1.00 0.00 H new ATOM 0 HA HIS A 79 14.682 9.266 -3.009 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.716 10.830 -5.387 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.417 11.651 -3.868 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.765 8.102 -3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.076 10.729 -2.962 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.259 8.343 -2.611 1.00 0.00 H new ATOM 1161 N ALA A 80 12.200 9.787 -3.306 1.00 0.00 N ATOM 1162 CA ALA A 80 10.875 10.376 -3.158 1.00 0.00 C ATOM 1163 C ALA A 80 10.830 11.278 -1.925 1.00 0.00 C ATOM 1164 O ALA A 80 11.492 11.012 -0.924 1.00 0.00 O ATOM 1165 CB ALA A 80 9.816 9.289 -3.066 1.00 0.00 C ATOM 0 H ALA A 80 12.299 8.864 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 80 10.665 10.984 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.833 9.747 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.835 8.685 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.020 8.655 -2.203 1.00 0.00 H new ATOM 1171 N GLU A 81 10.063 12.350 -2.014 1.00 0.00 N ATOM 1172 CA GLU A 81 9.946 13.314 -0.924 1.00 0.00 C ATOM 1173 C GLU A 81 9.657 12.660 0.433 1.00 0.00 C ATOM 1174 O GLU A 81 9.999 13.223 1.474 1.00 0.00 O ATOM 1175 CB GLU A 81 8.844 14.326 -1.248 1.00 0.00 C ATOM 1176 CG GLU A 81 9.251 15.769 -1.000 1.00 0.00 C ATOM 1177 CD GLU A 81 8.074 16.724 -1.044 1.00 0.00 C ATOM 1178 OE1 GLU A 81 7.208 16.560 -1.930 1.00 0.00 O ATOM 1179 OE2 GLU A 81 8.016 17.633 -0.191 1.00 0.00 O ATOM 0 H GLU A 81 9.505 12.580 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 81 10.912 13.811 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.555 14.213 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.964 14.097 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.738 15.843 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.985 16.069 -1.748 1.00 0.00 H new ATOM 1186 N ASN A 82 8.996 11.504 0.436 1.00 0.00 N ATOM 1187 CA ASN A 82 8.641 10.843 1.694 1.00 0.00 C ATOM 1188 C ASN A 82 9.644 9.773 2.145 1.00 0.00 C ATOM 1189 O ASN A 82 9.874 9.615 3.345 1.00 0.00 O ATOM 1190 CB ASN A 82 7.244 10.231 1.588 1.00 0.00 C ATOM 1191 CG ASN A 82 7.081 9.358 0.362 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.416 9.737 -0.602 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.687 8.178 0.395 1.00 0.00 N ATOM 0 H ASN A 82 8.698 11.010 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 82 8.662 11.621 2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.043 9.639 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.503 11.030 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.612 7.544 -0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.228 7.905 1.216 1.00 0.00 H new ATOM 1200 N LEU A 83 10.215 9.014 1.211 1.00 0.00 N ATOM 1201 CA LEU A 83 11.152 7.947 1.585 1.00 0.00 C ATOM 1202 C LEU A 83 12.408 7.923 0.717 1.00 0.00 C ATOM 1203 O LEU A 83 13.123 6.927 0.678 1.00 0.00 O ATOM 1204 CB LEU A 83 10.445 6.580 1.544 1.00 0.00 C ATOM 1205 CG LEU A 83 10.325 5.884 0.173 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.213 6.870 -0.981 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.496 4.952 -0.056 1.00 0.00 C ATOM 0 H LEU A 83 10.052 9.111 0.209 1.00 0.00 H new ATOM 0 HA LEU A 83 11.481 8.159 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.974 5.907 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.440 6.708 1.946 1.00 0.00 H new ATOM 0 HG LEU A 83 9.400 5.309 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.131 6.323 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.328 7.491 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.100 7.503 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.393 4.471 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.425 5.522 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.514 4.192 0.725 1.00 0.00 H new ATOM 1219 N LYS A 84 12.675 9.018 0.030 1.00 0.00 N ATOM 1220 CA LYS A 84 13.846 9.123 -0.845 1.00 0.00 C ATOM 1221 C LYS A 84 15.056 8.332 -0.334 1.00 0.00 C ATOM 1222 O LYS A 84 15.531 8.543 0.784 1.00 0.00 O ATOM 1223 CB LYS A 84 14.240 10.590 -1.031 1.00 0.00 C ATOM 1224 CG LYS A 84 14.472 11.329 0.275 1.00 0.00 C ATOM 1225 CD LYS A 84 15.536 12.403 0.120 1.00 0.00 C ATOM 1226 CE LYS A 84 16.088 12.837 1.466 1.00 0.00 C ATOM 1227 NZ LYS A 84 16.986 11.807 2.056 1.00 0.00 N ATOM 0 H LYS A 84 12.097 9.858 0.056 1.00 0.00 H new ATOM 0 HA LYS A 84 13.554 8.685 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.147 10.640 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.457 11.099 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.539 11.784 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.776 10.622 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.347 12.026 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.112 13.265 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.636 13.772 1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.263 13.034 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.511 12.220 2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.418 11.004 2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.657 11.477 1.334 1.00 0.00 H new ATOM 1241 N GLY A 85 15.556 7.434 -1.184 1.00 0.00 N ATOM 1242 CA GLY A 85 16.717 6.625 -0.847 1.00 0.00 C ATOM 1243 C GLY A 85 16.594 5.906 0.484 1.00 0.00 C ATOM 1244 O GLY A 85 17.474 6.020 1.336 1.00 0.00 O ATOM 0 H GLY A 85 15.171 7.252 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.876 5.888 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.600 7.264 -0.825 1.00 0.00 H new ATOM 1248 N LYS A 86 15.509 5.161 0.665 1.00 0.00 N ATOM 1249 CA LYS A 86 15.301 4.425 1.906 1.00 0.00 C ATOM 1250 C LYS A 86 15.692 2.957 1.773 1.00 0.00 C ATOM 1251 O LYS A 86 14.850 2.107 1.480 1.00 0.00 O ATOM 1252 CB LYS A 86 13.846 4.526 2.360 1.00 0.00 C ATOM 1253 CG LYS A 86 13.682 4.546 3.870 1.00 0.00 C ATOM 1254 CD LYS A 86 14.167 5.858 4.467 1.00 0.00 C ATOM 1255 CE LYS A 86 13.162 6.979 4.245 1.00 0.00 C ATOM 1256 NZ LYS A 86 13.809 8.205 3.700 1.00 0.00 N ATOM 0 H LYS A 86 14.766 5.051 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 86 15.947 4.882 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.406 5.432 1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.287 3.683 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.633 4.395 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.239 3.718 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.340 5.730 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.123 6.131 4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.387 6.641 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.669 7.217 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.117 8.981 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.609 8.475 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.154 8.017 2.737 1.00 0.00 H new ATOM 1270 N ALA A 87 16.959 2.655 2.027 1.00 0.00 N ATOM 1271 CA ALA A 87 17.430 1.280 1.973 1.00 0.00 C ATOM 1272 C ALA A 87 16.955 0.558 3.225 1.00 0.00 C ATOM 1273 O ALA A 87 17.578 0.658 4.281 1.00 0.00 O ATOM 1274 CB ALA A 87 18.948 1.238 1.863 1.00 0.00 C ATOM 0 H ALA A 87 17.674 3.340 2.271 1.00 0.00 H new ATOM 0 HA ALA A 87 17.026 0.784 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.281 0.201 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.261 1.754 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.389 1.728 2.731 1.00 0.00 H new ATOM 1280 N ALA A 88 15.819 -0.125 3.118 1.00 0.00 N ATOM 1281 CA ALA A 88 15.244 -0.801 4.271 1.00 0.00 C ATOM 1282 C ALA A 88 14.886 -2.259 4.007 1.00 0.00 C ATOM 1283 O ALA A 88 15.205 -2.827 2.964 1.00 0.00 O ATOM 1284 CB ALA A 88 14.011 -0.036 4.736 1.00 0.00 C ATOM 0 H ALA A 88 15.285 -0.223 2.254 1.00 0.00 H new ATOM 0 HA ALA A 88 16.008 -0.813 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.576 -0.538 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.295 0.980 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.279 -0.001 3.929 1.00 0.00 H new ATOM 1290 N LYS A 89 14.204 -2.837 4.986 1.00 0.00 N ATOM 1291 CA LYS A 89 13.748 -4.213 4.929 1.00 0.00 C ATOM 1292 C LYS A 89 12.303 -4.251 5.405 1.00 0.00 C ATOM 1293 O LYS A 89 11.966 -3.603 6.394 1.00 0.00 O ATOM 1294 CB LYS A 89 14.622 -5.108 5.813 1.00 0.00 C ATOM 1295 CG LYS A 89 15.892 -5.593 5.128 1.00 0.00 C ATOM 1296 CD LYS A 89 17.030 -4.588 5.268 1.00 0.00 C ATOM 1297 CE LYS A 89 17.331 -4.280 6.727 1.00 0.00 C ATOM 1298 NZ LYS A 89 18.702 -3.728 6.909 1.00 0.00 N ATOM 0 H LYS A 89 13.951 -2.356 5.849 1.00 0.00 H new ATOM 0 HA LYS A 89 13.819 -4.586 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.893 -4.559 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.038 -5.972 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.195 -6.548 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.691 -5.769 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.925 -4.982 4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.768 -3.667 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.599 -3.566 7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.225 -5.189 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.178 -4.229 7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.246 -3.854 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.641 -2.715 7.136 1.00 0.00 H new ATOM 1312 N PHE A 90 11.464 -5.044 4.755 1.00 0.00 N ATOM 1313 CA PHE A 90 10.078 -5.183 5.185 1.00 0.00 C ATOM 1314 C PHE A 90 9.610 -6.625 5.098 1.00 0.00 C ATOM 1315 O PHE A 90 10.200 -7.444 4.395 1.00 0.00 O ATOM 1316 CB PHE A 90 9.120 -4.337 4.343 1.00 0.00 C ATOM 1317 CG PHE A 90 9.684 -3.068 3.784 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.377 -2.178 4.584 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.482 -2.755 2.455 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.863 -0.996 4.064 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.961 -1.572 1.928 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.653 -0.689 2.734 1.00 0.00 C ATOM 0 H PHE A 90 11.714 -5.597 3.935 1.00 0.00 H new ATOM 0 HA PHE A 90 10.059 -4.838 6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.760 -4.947 3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.253 -4.088 4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.539 -2.410 5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.943 -3.443 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.408 -0.311 4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.795 -1.337 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.028 0.238 2.326 1.00 0.00 H new ATOM 1332 N ALA A 91 8.492 -6.902 5.751 1.00 0.00 N ATOM 1333 CA ALA A 91 7.852 -8.202 5.706 1.00 0.00 C ATOM 1334 C ALA A 91 6.432 -7.906 5.263 1.00 0.00 C ATOM 1335 O ALA A 91 5.644 -7.323 6.007 1.00 0.00 O ATOM 1336 CB ALA A 91 7.882 -8.890 7.065 1.00 0.00 C ATOM 0 H ALA A 91 8.001 -6.222 6.332 1.00 0.00 H new ATOM 0 HA ALA A 91 8.361 -8.888 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.393 -9.861 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.916 -9.027 7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.358 -8.274 7.796 1.00 0.00 H new ATOM 1342 N ILE A 92 6.161 -8.193 4.002 1.00 0.00 N ATOM 1343 CA ILE A 92 4.890 -7.834 3.394 1.00 0.00 C ATOM 1344 C ILE A 92 3.871 -8.966 3.277 1.00 0.00 C ATOM 1345 O ILE A 92 4.200 -10.148 3.348 1.00 0.00 O ATOM 1346 CB ILE A 92 5.160 -7.283 1.985 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.296 -6.245 2.030 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.892 -6.715 1.375 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.335 -5.307 0.847 1.00 0.00 C ATOM 0 H ILE A 92 6.806 -8.675 3.376 1.00 0.00 H new ATOM 0 HA ILE A 92 4.444 -7.100 4.065 1.00 0.00 H new ATOM 0 HB ILE A 92 5.484 -8.100 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.197 -5.656 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.249 -6.771 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.108 -6.331 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.138 -7.499 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.517 -5.906 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.166 -4.611 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.468 -5.882 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.400 -4.750 0.793 1.00 0.00 H new ATOM 1361 N ASN A 93 2.618 -8.555 3.056 1.00 0.00 N ATOM 1362 CA ASN A 93 1.501 -9.470 2.871 1.00 0.00 C ATOM 1363 C ASN A 93 0.637 -8.999 1.693 1.00 0.00 C ATOM 1364 O ASN A 93 -0.104 -8.023 1.812 1.00 0.00 O ATOM 1365 CB ASN A 93 0.655 -9.546 4.143 1.00 0.00 C ATOM 1366 CG ASN A 93 1.308 -10.375 5.229 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.514 -10.618 5.202 1.00 0.00 O ATOM 1368 ND2 ASN A 93 0.510 -10.812 6.197 1.00 0.00 N ATOM 0 H ASN A 93 2.355 -7.571 3.001 1.00 0.00 H new ATOM 0 HA ASN A 93 1.892 -10.464 2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.478 -8.538 4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.319 -9.972 3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.892 -11.373 6.958 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.485 -10.586 6.179 1.00 0.00 H new ATOM 1375 N LEU A 94 0.744 -9.684 0.553 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.023 -9.314 -0.643 1.00 0.00 C ATOM 1377 C LEU A 94 -1.522 -9.468 -0.416 1.00 0.00 C ATOM 1378 O LEU A 94 -1.955 -10.247 0.431 1.00 0.00 O ATOM 1379 CB LEU A 94 0.408 -10.171 -1.837 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.001 -9.637 -3.212 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.616 -8.271 -3.461 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.413 -10.612 -4.306 1.00 0.00 C ATOM 0 H LEU A 94 1.351 -10.495 0.430 1.00 0.00 H new ATOM 0 HA LEU A 94 0.184 -8.265 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.493 -10.275 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.011 -11.170 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.086 -9.534 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.313 -7.909 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.276 -7.573 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.702 -8.350 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.115 -10.217 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.495 -10.745 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.074 -11.573 -4.140 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.317 -8.727 -1.193 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.767 -8.796 -1.084 1.00 0.00 C ATOM 1396 C LYS A 95 -4.437 -8.494 -2.431 1.00 0.00 C ATOM 1397 O LYS A 95 -4.374 -9.305 -3.353 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.274 -7.847 0.009 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.913 -8.289 1.417 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.830 -7.654 2.449 1.00 0.00 C ATOM 1401 CE LYS A 95 -6.243 -8.206 2.351 1.00 0.00 C ATOM 1402 NZ LYS A 95 -7.268 -7.153 2.587 1.00 0.00 N ATOM 0 H LYS A 95 -1.977 -8.076 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.037 -9.813 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.864 -6.853 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.358 -7.763 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.980 -9.375 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.879 -8.019 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.436 -7.835 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.849 -6.574 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.394 -8.645 1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.371 -9.007 3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.218 -7.570 2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.141 -6.752 3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.163 -6.401 1.877 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.115 -7.354 -2.534 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.824 -7.007 -3.757 1.00 0.00 C ATOM 1418 C LYS A 96 -4.879 -6.624 -4.889 1.00 0.00 C ATOM 1419 O LYS A 96 -4.359 -5.509 -4.931 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.799 -5.860 -3.489 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.258 -6.294 -3.483 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.890 -6.135 -2.107 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.158 -5.297 -2.169 1.00 0.00 C ATOM 1424 NZ LYS A 96 -11.373 -6.144 -2.312 1.00 0.00 N ATOM 0 H LYS A 96 -5.187 -6.661 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.371 -7.895 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.559 -5.406 -2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.660 -5.090 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.816 -5.703 -4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.329 -7.335 -3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.122 -7.118 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.176 -5.667 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.240 -4.694 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.096 -4.605 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.217 -5.537 -2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.307 -6.701 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.446 -6.787 -1.498 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.698 -7.548 -5.830 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.858 -7.315 -6.998 1.00 0.00 C ATOM 1440 C VAL A 97 -4.739 -7.186 -8.239 1.00 0.00 C ATOM 1441 O VAL A 97 -5.287 -8.174 -8.725 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.842 -8.467 -7.198 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.509 -9.829 -7.017 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.169 -8.377 -8.565 1.00 0.00 C ATOM 0 H VAL A 97 -5.127 -8.473 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.298 -6.393 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.073 -8.362 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.771 -10.618 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.922 -9.901 -6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.310 -9.942 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.461 -9.198 -8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.925 -8.440 -9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.639 -7.428 -8.648 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.886 -5.962 -8.736 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.719 -5.714 -9.909 1.00 0.00 C ATOM 1456 C GLU A 98 -4.994 -4.837 -10.931 1.00 0.00 C ATOM 1457 O GLU A 98 -3.950 -4.262 -10.635 1.00 0.00 O ATOM 1458 CB GLU A 98 -7.033 -5.067 -9.480 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.789 -5.862 -8.428 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.765 -5.008 -7.643 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -9.927 -4.877 -8.085 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -8.371 -4.472 -6.588 1.00 0.00 O ATOM 0 H GLU A 98 -4.442 -5.130 -8.348 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.931 -6.669 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.827 -4.070 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.670 -4.942 -10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.331 -6.675 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.076 -6.318 -7.741 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.548 -4.758 -12.145 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.938 -3.978 -13.228 1.00 0.00 C ATOM 1471 C GLU A 99 -5.453 -2.544 -13.279 1.00 0.00 C ATOM 1472 O GLU A 99 -6.415 -2.245 -13.981 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.206 -4.659 -14.572 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.409 -4.077 -15.728 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.085 -2.875 -16.357 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.323 -2.908 -16.525 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.378 -1.899 -16.684 1.00 0.00 O ATOM 0 H GLU A 99 -6.418 -5.224 -12.403 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.867 -3.937 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.975 -5.721 -14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.269 -4.582 -14.801 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.420 -3.788 -15.373 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.263 -4.846 -16.487 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.784 -1.659 -12.545 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.156 -0.249 -12.505 1.00 0.00 C ATOM 1486 C ARG A 100 -5.071 0.400 -13.882 1.00 0.00 C ATOM 1487 O ARG A 100 -4.286 -0.017 -14.735 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.254 0.504 -11.530 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.793 0.548 -11.961 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.227 1.961 -11.901 1.00 0.00 C ATOM 1491 NE ARG A 100 -2.348 2.668 -13.174 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.622 3.737 -13.497 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.709 4.208 -12.656 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -1.806 4.337 -14.665 1.00 0.00 N ATOM 0 H ARG A 100 -3.977 -1.896 -11.967 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.192 -0.194 -12.170 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.623 1.524 -11.420 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.321 0.034 -10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.205 -0.107 -11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.702 0.163 -12.977 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.747 2.524 -11.126 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.177 1.916 -11.613 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.026 2.324 -13.853 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.560 3.751 -11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.156 5.027 -12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.504 3.980 -15.317 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.249 5.156 -14.911 1.00 0.00 H new