USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS :FLIP no HD1:sc= -0.125 F(o=-5.7!,f=1.1) USER MOD Set 1.2: A 83 CYS SG : rot -86:sc= 1.21 USER MOD Set 2.1: A 33 SER OG : rot 137:sc= 1.46! USER MOD Set 2.2: A 39 TYR OH : rot -12:sc= 1.3 USER MOD Single : A 17 GLN : amide:sc= -0.981 K(o=-0.98,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 69:sc= 0.838 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0348 F(o=-1.5!,f=-0.035) USER MOD Single : A 43 HIS : no HD1:sc= -4.52! C(o=-4.5!,f=-5.3!) USER MOD Single : A 52 LYS NZ :NH3+ -111:sc= -0.464 (180deg=-1.52!) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0526) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -113:sc= -0.185 (180deg=-0.879) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= -0.086 (180deg=-0.738) USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 88 MET CE :methyl -177:sc= -2.5! (180deg=-2.51!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= -0.993 (180deg=-0.993) USER MOD Single : A 100 GLN :FLIP amide:sc= -6.82! C(o=-8.8!,f=-6.8!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.659 K(o=-0.66,f=-2.2) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.0235 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.0552 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.326 12.795 1.104 1.00 0.00 N ATOM 157 CA GLU A 11 -9.282 13.587 1.812 1.00 0.00 C ATOM 158 C GLU A 11 -8.342 12.636 2.554 1.00 0.00 C ATOM 159 O GLU A 11 -7.178 12.925 2.749 1.00 0.00 O ATOM 160 CB GLU A 11 -9.952 14.530 2.813 1.00 0.00 C ATOM 161 CG GLU A 11 -9.036 15.726 3.080 1.00 0.00 C ATOM 162 CD GLU A 11 -9.267 16.238 4.503 1.00 0.00 C ATOM 163 OE1 GLU A 11 -9.085 15.462 5.428 1.00 0.00 O ATOM 164 OE2 GLU A 11 -9.622 17.396 4.645 1.00 0.00 O ATOM 0 HA GLU A 11 -8.712 14.171 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.910 14.872 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.159 14.002 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.993 15.435 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.237 16.519 2.360 1.00 0.00 H new ATOM 171 N GLU A 12 -8.839 11.503 2.969 1.00 0.00 N ATOM 172 CA GLU A 12 -7.973 10.533 3.696 1.00 0.00 C ATOM 173 C GLU A 12 -6.982 9.904 2.715 1.00 0.00 C ATOM 174 O GLU A 12 -5.785 9.949 2.913 1.00 0.00 O ATOM 175 CB GLU A 12 -8.842 9.436 4.316 1.00 0.00 C ATOM 176 CG GLU A 12 -10.114 10.058 4.897 1.00 0.00 C ATOM 177 CD GLU A 12 -9.749 10.950 6.085 1.00 0.00 C ATOM 178 OE1 GLU A 12 -8.819 10.606 6.796 1.00 0.00 O ATOM 179 OE2 GLU A 12 -10.406 11.963 6.264 1.00 0.00 O ATOM 0 H GLU A 12 -9.806 11.208 2.836 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.428 11.052 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.100 8.692 3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.288 8.918 5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.627 10.643 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.802 9.275 5.215 1.00 0.00 H new ATOM 186 N LEU A 13 -7.473 9.319 1.656 1.00 0.00 N ATOM 187 CA LEU A 13 -6.558 8.690 0.661 1.00 0.00 C ATOM 188 C LEU A 13 -5.460 9.686 0.286 1.00 0.00 C ATOM 189 O LEU A 13 -4.285 9.385 0.351 1.00 0.00 O ATOM 190 CB LEU A 13 -7.349 8.311 -0.593 1.00 0.00 C ATOM 191 CG LEU A 13 -8.609 7.543 -0.193 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.475 7.302 -1.429 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.213 6.197 0.420 1.00 0.00 C ATOM 0 H LEU A 13 -8.467 9.250 1.437 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.110 7.794 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.619 9.208 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.733 7.700 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.171 8.125 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.373 6.754 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.758 8.259 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.913 6.720 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.111 5.649 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.650 5.616 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.596 6.367 1.302 1.00 0.00 H new ATOM 205 N ILE A 14 -5.836 10.873 -0.106 1.00 0.00 N ATOM 206 CA ILE A 14 -4.817 11.890 -0.486 1.00 0.00 C ATOM 207 C ILE A 14 -3.849 12.103 0.679 1.00 0.00 C ATOM 208 O ILE A 14 -2.666 12.294 0.488 1.00 0.00 O ATOM 209 CB ILE A 14 -5.519 13.210 -0.813 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.349 13.043 -2.088 1.00 0.00 C ATOM 211 CG2 ILE A 14 -4.473 14.306 -1.024 1.00 0.00 C ATOM 212 CD1 ILE A 14 -7.353 14.192 -2.200 1.00 0.00 C ATOM 0 H ILE A 14 -6.805 11.182 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.263 11.544 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.174 13.488 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.696 13.031 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.874 12.088 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.973 15.246 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.882 14.425 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.818 14.029 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.943 14.072 -3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.014 14.183 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.818 15.141 -2.238 1.00 0.00 H new ATOM 224 N GLU A 15 -4.346 12.072 1.885 1.00 0.00 N ATOM 225 CA GLU A 15 -3.457 12.274 3.064 1.00 0.00 C ATOM 226 C GLU A 15 -2.478 11.104 3.180 1.00 0.00 C ATOM 227 O GLU A 15 -1.276 11.284 3.185 1.00 0.00 O ATOM 228 CB GLU A 15 -4.309 12.352 4.333 1.00 0.00 C ATOM 229 CG GLU A 15 -4.560 13.817 4.692 1.00 0.00 C ATOM 230 CD GLU A 15 -3.402 14.339 5.544 1.00 0.00 C ATOM 231 OE1 GLU A 15 -2.311 13.811 5.410 1.00 0.00 O ATOM 232 OE2 GLU A 15 -3.626 15.257 6.315 1.00 0.00 O ATOM 0 H GLU A 15 -5.330 11.915 2.105 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.897 13.201 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.257 11.837 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.802 11.847 5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.656 14.414 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.499 13.913 5.237 1.00 0.00 H new ATOM 239 N ILE A 16 -2.984 9.905 3.277 1.00 0.00 N ATOM 240 CA ILE A 16 -2.085 8.722 3.398 1.00 0.00 C ATOM 241 C ILE A 16 -0.983 8.802 2.340 1.00 0.00 C ATOM 242 O ILE A 16 0.191 8.735 2.646 1.00 0.00 O ATOM 243 CB ILE A 16 -2.895 7.441 3.193 1.00 0.00 C ATOM 244 CG1 ILE A 16 -4.058 7.408 4.187 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.994 6.226 3.421 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.990 6.244 3.844 1.00 0.00 C ATOM 0 H ILE A 16 -3.982 9.693 3.278 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.634 8.713 4.390 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.286 7.417 2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.679 7.297 5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.607 8.349 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.571 5.313 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.166 6.249 2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.602 6.249 4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.818 6.220 4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.379 6.375 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.437 5.306 3.901 1.00 0.00 H new ATOM 258 N GLN A 17 -1.350 8.938 1.095 1.00 0.00 N ATOM 259 CA GLN A 17 -0.321 9.015 0.019 1.00 0.00 C ATOM 260 C GLN A 17 0.504 10.293 0.185 1.00 0.00 C ATOM 261 O GLN A 17 1.590 10.413 -0.346 1.00 0.00 O ATOM 262 CB GLN A 17 -1.011 9.024 -1.347 1.00 0.00 C ATOM 263 CG GLN A 17 -0.302 8.047 -2.286 1.00 0.00 C ATOM 264 CD GLN A 17 -0.357 6.637 -1.695 1.00 0.00 C ATOM 265 OE1 GLN A 17 0.658 6.081 -1.323 1.00 0.00 O ATOM 266 NE2 GLN A 17 -1.508 6.030 -1.590 1.00 0.00 N ATOM 0 H GLN A 17 -2.317 8.999 0.776 1.00 0.00 H new ATOM 0 HA GLN A 17 0.339 8.150 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.059 8.744 -1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.992 10.029 -1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.777 8.060 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.735 8.352 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.360 6.495 -1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.555 5.090 -1.196 1.00 0.00 H new ATOM 275 N LYS A 18 0.004 11.247 0.921 1.00 0.00 N ATOM 276 CA LYS A 18 0.771 12.509 1.119 1.00 0.00 C ATOM 277 C LYS A 18 2.037 12.207 1.924 1.00 0.00 C ATOM 278 O LYS A 18 3.117 12.654 1.592 1.00 0.00 O ATOM 279 CB LYS A 18 -0.089 13.519 1.884 1.00 0.00 C ATOM 280 CG LYS A 18 0.432 14.933 1.626 1.00 0.00 C ATOM 281 CD LYS A 18 -0.591 15.954 2.128 1.00 0.00 C ATOM 282 CE LYS A 18 -1.631 16.214 1.037 1.00 0.00 C ATOM 283 NZ LYS A 18 -2.751 17.019 1.600 1.00 0.00 N ATOM 0 H LYS A 18 -0.900 11.208 1.393 1.00 0.00 H new ATOM 0 HA LYS A 18 1.042 12.927 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.129 13.440 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.063 13.300 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.386 15.079 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.612 15.077 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.079 15.583 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.090 16.884 2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.173 16.743 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.009 15.269 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.458 17.196 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.194 16.498 2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.384 17.926 1.952 1.00 0.00 H new ATOM 297 N GLU A 19 1.911 11.447 2.976 1.00 0.00 N ATOM 298 CA GLU A 19 3.106 11.112 3.802 1.00 0.00 C ATOM 299 C GLU A 19 3.971 10.091 3.059 1.00 0.00 C ATOM 300 O GLU A 19 5.147 10.301 2.839 1.00 0.00 O ATOM 301 CB GLU A 19 2.652 10.519 5.136 1.00 0.00 C ATOM 302 CG GLU A 19 3.617 10.949 6.242 1.00 0.00 C ATOM 303 CD GLU A 19 3.085 12.212 6.921 1.00 0.00 C ATOM 304 OE1 GLU A 19 1.875 12.340 7.024 1.00 0.00 O ATOM 305 OE2 GLU A 19 3.894 13.029 7.327 1.00 0.00 O ATOM 0 H GLU A 19 1.032 11.043 3.300 1.00 0.00 H new ATOM 0 HA GLU A 19 3.687 12.016 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.642 10.855 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.619 9.431 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.728 10.149 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.606 11.137 5.824 1.00 0.00 H new ATOM 312 N GLU A 20 3.398 8.983 2.674 1.00 0.00 N ATOM 313 CA GLU A 20 4.186 7.947 1.950 1.00 0.00 C ATOM 314 C GLU A 20 4.871 8.577 0.735 1.00 0.00 C ATOM 315 O GLU A 20 6.040 8.358 0.487 1.00 0.00 O ATOM 316 CB GLU A 20 3.249 6.830 1.483 1.00 0.00 C ATOM 317 CG GLU A 20 4.046 5.795 0.687 1.00 0.00 C ATOM 318 CD GLU A 20 3.154 4.590 0.380 1.00 0.00 C ATOM 319 OE1 GLU A 20 3.014 3.746 1.248 1.00 0.00 O ATOM 320 OE2 GLU A 20 2.625 4.534 -0.719 1.00 0.00 O ATOM 0 H GLU A 20 2.417 8.751 2.830 1.00 0.00 H new ATOM 0 HA GLU A 20 4.942 7.535 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.774 6.356 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.452 7.244 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.411 6.236 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.921 5.478 1.255 1.00 0.00 H new ATOM 327 N THR A 21 4.153 9.358 -0.025 1.00 0.00 N ATOM 328 CA THR A 21 4.764 10.000 -1.223 1.00 0.00 C ATOM 329 C THR A 21 6.004 10.792 -0.803 1.00 0.00 C ATOM 330 O THR A 21 7.067 10.646 -1.373 1.00 0.00 O ATOM 331 CB THR A 21 3.748 10.947 -1.867 1.00 0.00 C ATOM 332 OG1 THR A 21 2.673 10.189 -2.404 1.00 0.00 O ATOM 333 CG2 THR A 21 4.423 11.743 -2.984 1.00 0.00 C ATOM 0 H THR A 21 3.170 9.579 0.132 1.00 0.00 H new ATOM 0 HA THR A 21 5.051 9.231 -1.940 1.00 0.00 H new ATOM 0 HB THR A 21 3.367 11.637 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.148 9.802 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.697 12.416 -3.441 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.247 12.324 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.807 11.057 -3.739 1.00 0.00 H new ATOM 341 N ARG A 22 5.878 11.631 0.189 1.00 0.00 N ATOM 342 CA ARG A 22 7.050 12.431 0.643 1.00 0.00 C ATOM 343 C ARG A 22 8.227 11.497 0.937 1.00 0.00 C ATOM 344 O ARG A 22 9.353 11.769 0.570 1.00 0.00 O ATOM 345 CB ARG A 22 6.680 13.203 1.914 1.00 0.00 C ATOM 346 CG ARG A 22 6.779 14.706 1.648 1.00 0.00 C ATOM 347 CD ARG A 22 6.792 15.460 2.979 1.00 0.00 C ATOM 348 NE ARG A 22 5.792 16.570 2.942 1.00 0.00 N ATOM 349 CZ ARG A 22 5.676 17.330 1.885 1.00 0.00 C ATOM 350 NH1 ARG A 22 6.487 17.181 0.874 1.00 0.00 N ATOM 351 NH2 ARG A 22 4.759 18.260 1.850 1.00 0.00 N ATOM 0 H ARG A 22 5.014 11.797 0.705 1.00 0.00 H new ATOM 0 HA ARG A 22 7.333 13.134 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.668 12.945 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.347 12.923 2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.685 14.927 1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.936 15.035 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.561 14.777 3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.787 15.861 3.170 1.00 0.00 H new ATOM 0 HE ARG A 22 5.193 16.736 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.216 16.469 0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.392 17.777 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.136 18.392 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.667 18.854 1.026 1.00 0.00 H new ATOM 365 N ASP A 23 7.978 10.401 1.600 1.00 0.00 N ATOM 366 CA ASP A 23 9.086 9.456 1.919 1.00 0.00 C ATOM 367 C ASP A 23 9.745 8.978 0.623 1.00 0.00 C ATOM 368 O ASP A 23 10.954 8.976 0.495 1.00 0.00 O ATOM 369 CB ASP A 23 8.526 8.252 2.678 1.00 0.00 C ATOM 370 CG ASP A 23 9.555 7.119 2.664 1.00 0.00 C ATOM 371 OD1 ASP A 23 10.481 7.177 3.456 1.00 0.00 O ATOM 372 OD2 ASP A 23 9.399 6.214 1.862 1.00 0.00 O ATOM 0 H ASP A 23 7.057 10.119 1.934 1.00 0.00 H new ATOM 0 HA ASP A 23 9.827 9.964 2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.291 8.532 3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.596 7.919 2.218 1.00 0.00 H new ATOM 377 N ILE A 24 8.962 8.566 -0.337 1.00 0.00 N ATOM 378 CA ILE A 24 9.547 8.084 -1.619 1.00 0.00 C ATOM 379 C ILE A 24 10.397 9.193 -2.245 1.00 0.00 C ATOM 380 O ILE A 24 11.604 9.083 -2.344 1.00 0.00 O ATOM 381 CB ILE A 24 8.422 7.699 -2.580 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.652 6.506 -2.009 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.015 7.318 -3.938 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.422 6.226 -2.877 1.00 0.00 C ATOM 0 H ILE A 24 7.943 8.543 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 24 10.174 7.214 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 24 7.746 8.545 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.295 5.627 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.346 6.714 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.212 7.044 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.565 8.166 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.691 6.472 -3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.875 5.376 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.776 7.104 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.739 5.999 -3.895 1.00 0.00 H new ATOM 396 N ILE A 25 9.779 10.260 -2.672 1.00 0.00 N ATOM 397 CA ILE A 25 10.553 11.371 -3.293 1.00 0.00 C ATOM 398 C ILE A 25 11.782 11.679 -2.435 1.00 0.00 C ATOM 399 O ILE A 25 12.872 11.862 -2.939 1.00 0.00 O ATOM 400 CB ILE A 25 9.672 12.619 -3.388 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.806 12.535 -4.646 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.558 13.865 -3.464 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.078 11.190 -4.677 1.00 0.00 C ATOM 0 H ILE A 25 8.772 10.410 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 25 10.872 11.075 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 25 9.033 12.680 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.084 13.351 -4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.427 12.645 -5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.931 14.754 -3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.178 13.926 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.197 13.804 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.461 11.131 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.808 10.381 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.445 11.098 -3.794 1.00 0.00 H new ATOM 415 N GLN A 26 11.615 11.737 -1.143 1.00 0.00 N ATOM 416 CA GLN A 26 12.774 12.033 -0.255 1.00 0.00 C ATOM 417 C GLN A 26 13.934 11.097 -0.601 1.00 0.00 C ATOM 418 O GLN A 26 14.971 11.524 -1.070 1.00 0.00 O ATOM 419 CB GLN A 26 12.365 11.819 1.204 1.00 0.00 C ATOM 420 CG GLN A 26 11.612 13.051 1.708 1.00 0.00 C ATOM 421 CD GLN A 26 12.608 14.042 2.313 1.00 0.00 C ATOM 422 OE1 GLN A 26 13.879 13.922 2.040 1.00 0.00 O flip ATOM 423 NE2 GLN A 26 12.226 14.936 3.043 1.00 0.00 N flip ATOM 0 H GLN A 26 10.726 11.592 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 26 13.087 13.067 -0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.735 10.934 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.248 11.643 1.818 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.068 13.520 0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.873 12.759 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.233 15.031 3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.898 15.591 3.442 1.00 0.00 H new ATOM 432 N ALA A 27 13.769 9.824 -0.371 1.00 0.00 N ATOM 433 CA ALA A 27 14.861 8.861 -0.685 1.00 0.00 C ATOM 434 C ALA A 27 15.541 9.267 -1.995 1.00 0.00 C ATOM 435 O ALA A 27 16.752 9.275 -2.099 1.00 0.00 O ATOM 436 CB ALA A 27 14.275 7.455 -0.829 1.00 0.00 C ATOM 0 H ALA A 27 12.924 9.409 0.021 1.00 0.00 H new ATOM 0 HA ALA A 27 15.594 8.869 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.074 6.750 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.792 7.165 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.541 7.447 -1.635 1.00 0.00 H new ATOM 442 N LEU A 28 14.773 9.600 -2.996 1.00 0.00 N ATOM 443 CA LEU A 28 15.380 10.000 -4.297 1.00 0.00 C ATOM 444 C LEU A 28 16.173 11.297 -4.120 1.00 0.00 C ATOM 445 O LEU A 28 17.166 11.523 -4.782 1.00 0.00 O ATOM 446 CB LEU A 28 14.272 10.218 -5.331 1.00 0.00 C ATOM 447 CG LEU A 28 13.294 9.043 -5.289 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.321 9.147 -6.464 1.00 0.00 C ATOM 449 CD2 LEU A 28 14.071 7.728 -5.389 1.00 0.00 C ATOM 0 H LEU A 28 13.753 9.612 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 28 16.050 9.211 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.746 11.150 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.704 10.310 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 28 12.738 9.068 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.624 8.310 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.767 10.083 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.878 9.122 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.374 6.890 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.627 7.704 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.766 7.652 -4.553 1.00 0.00 H new ATOM 461 N LEU A 29 15.746 12.152 -3.232 1.00 0.00 N ATOM 462 CA LEU A 29 16.480 13.432 -3.017 1.00 0.00 C ATOM 463 C LEU A 29 17.813 13.145 -2.322 1.00 0.00 C ATOM 464 O LEU A 29 18.865 13.523 -2.798 1.00 0.00 O ATOM 465 CB LEU A 29 15.639 14.367 -2.147 1.00 0.00 C ATOM 466 CG LEU A 29 15.152 15.550 -2.988 1.00 0.00 C ATOM 467 CD1 LEU A 29 14.436 15.030 -4.236 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.184 16.399 -2.161 1.00 0.00 C ATOM 0 H LEU A 29 14.921 12.020 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 29 16.668 13.908 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.788 13.827 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.230 14.726 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 29 16.006 16.158 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.089 15.873 -4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.125 14.425 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.582 14.421 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.837 17.242 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.331 15.790 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.694 16.771 -1.272 1.00 0.00 H new ATOM 480 N GLU A 30 17.779 12.478 -1.200 1.00 0.00 N ATOM 481 CA GLU A 30 19.046 12.169 -0.480 1.00 0.00 C ATOM 482 C GLU A 30 19.949 11.328 -1.383 1.00 0.00 C ATOM 483 O GLU A 30 21.143 11.235 -1.172 1.00 0.00 O ATOM 484 CB GLU A 30 18.732 11.387 0.797 1.00 0.00 C ATOM 485 CG GLU A 30 20.027 11.130 1.571 1.00 0.00 C ATOM 486 CD GLU A 30 19.746 11.193 3.073 1.00 0.00 C ATOM 487 OE1 GLU A 30 19.543 12.287 3.574 1.00 0.00 O ATOM 488 OE2 GLU A 30 19.736 10.146 3.699 1.00 0.00 O ATOM 0 H GLU A 30 16.929 12.134 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 30 19.552 13.098 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.031 11.947 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.251 10.441 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.433 10.153 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 30 20.778 11.872 1.300 1.00 0.00 H new ATOM 495 N ASP A 31 19.389 10.713 -2.388 1.00 0.00 N ATOM 496 CA ASP A 31 20.213 9.877 -3.304 1.00 0.00 C ATOM 497 C ASP A 31 20.923 10.777 -4.317 1.00 0.00 C ATOM 498 O ASP A 31 22.004 10.473 -4.784 1.00 0.00 O ATOM 499 CB ASP A 31 19.308 8.892 -4.047 1.00 0.00 C ATOM 500 CG ASP A 31 20.166 7.832 -4.739 1.00 0.00 C ATOM 501 OD1 ASP A 31 21.335 8.098 -4.963 1.00 0.00 O ATOM 502 OD2 ASP A 31 19.639 6.771 -5.033 1.00 0.00 O ATOM 0 H ASP A 31 18.395 10.754 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 31 20.954 9.326 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.618 8.418 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 31 18.703 9.422 -4.782 1.00 0.00 H new ATOM 507 N GLY A 32 20.325 11.885 -4.663 1.00 0.00 N ATOM 508 CA GLY A 32 20.967 12.803 -5.646 1.00 0.00 C ATOM 509 C GLY A 32 19.984 13.109 -6.778 1.00 0.00 C ATOM 510 O GLY A 32 20.362 13.583 -7.830 1.00 0.00 O ATOM 0 H GLY A 32 19.420 12.194 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.269 13.727 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.871 12.347 -6.049 1.00 0.00 H new ATOM 514 N SER A 33 18.723 12.843 -6.570 1.00 0.00 N ATOM 515 CA SER A 33 17.716 13.119 -7.634 1.00 0.00 C ATOM 516 C SER A 33 17.604 14.630 -7.850 1.00 0.00 C ATOM 517 O SER A 33 17.464 15.391 -6.914 1.00 0.00 O ATOM 518 CB SER A 33 16.357 12.564 -7.207 1.00 0.00 C ATOM 519 OG SER A 33 15.382 12.906 -8.184 1.00 0.00 O ATOM 0 H SER A 33 18.347 12.446 -5.709 1.00 0.00 H new ATOM 0 HA SER A 33 18.028 12.641 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.412 11.481 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.074 12.971 -6.236 1.00 0.00 H new ATOM 0 HG SER A 33 14.806 12.132 -8.356 1.00 0.00 H new ATOM 525 N ASP A 34 17.663 15.067 -9.077 1.00 0.00 N ATOM 526 CA ASP A 34 17.559 16.528 -9.352 1.00 0.00 C ATOM 527 C ASP A 34 16.156 16.848 -9.879 1.00 0.00 C ATOM 528 O ASP A 34 15.551 16.054 -10.572 1.00 0.00 O ATOM 529 CB ASP A 34 18.601 16.926 -10.400 1.00 0.00 C ATOM 530 CG ASP A 34 19.911 16.186 -10.122 1.00 0.00 C ATOM 531 OD1 ASP A 34 20.452 16.365 -9.043 1.00 0.00 O ATOM 532 OD2 ASP A 34 20.352 15.454 -10.992 1.00 0.00 O ATOM 0 H ASP A 34 17.779 14.477 -9.901 1.00 0.00 H new ATOM 0 HA ASP A 34 17.739 17.085 -8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.239 16.684 -11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.766 18.003 -10.373 1.00 0.00 H new ATOM 537 N PRO A 35 15.646 18.005 -9.551 1.00 0.00 N ATOM 538 CA PRO A 35 14.291 18.445 -9.993 1.00 0.00 C ATOM 539 C PRO A 35 14.247 18.781 -11.488 1.00 0.00 C ATOM 540 O PRO A 35 13.191 18.963 -12.061 1.00 0.00 O ATOM 541 CB PRO A 35 14.018 19.696 -9.157 1.00 0.00 C ATOM 542 CG PRO A 35 15.364 20.225 -8.781 1.00 0.00 C ATOM 543 CD PRO A 35 16.307 19.023 -8.719 1.00 0.00 C ATOM 0 HA PRO A 35 13.549 17.659 -9.853 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.452 20.433 -9.726 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.429 19.456 -8.272 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.712 20.953 -9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.324 20.736 -7.819 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.296 19.272 -9.104 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.442 18.675 -7.695 1.00 0.00 H new ATOM 551 N ASP A 36 15.384 18.866 -12.123 1.00 0.00 N ATOM 552 CA ASP A 36 15.401 19.192 -13.577 1.00 0.00 C ATOM 553 C ASP A 36 15.607 17.910 -14.387 1.00 0.00 C ATOM 554 O ASP A 36 15.688 17.936 -15.599 1.00 0.00 O ATOM 555 CB ASP A 36 16.544 20.167 -13.867 1.00 0.00 C ATOM 556 CG ASP A 36 17.879 19.511 -13.510 1.00 0.00 C ATOM 557 OD1 ASP A 36 17.874 18.325 -13.223 1.00 0.00 O ATOM 558 OD2 ASP A 36 18.881 20.205 -13.529 1.00 0.00 O ATOM 0 H ASP A 36 16.301 18.724 -11.698 1.00 0.00 H new ATOM 0 HA ASP A 36 14.452 19.649 -13.857 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.536 20.450 -14.920 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.411 21.082 -13.290 1.00 0.00 H new ATOM 563 N ALA A 37 15.696 16.788 -13.726 1.00 0.00 N ATOM 564 CA ALA A 37 15.900 15.506 -14.459 1.00 0.00 C ATOM 565 C ALA A 37 14.559 15.014 -15.009 1.00 0.00 C ATOM 566 O ALA A 37 14.506 14.280 -15.976 1.00 0.00 O ATOM 567 CB ALA A 37 16.473 14.459 -13.503 1.00 0.00 C ATOM 0 H ALA A 37 15.636 16.704 -12.711 1.00 0.00 H new ATOM 0 HA ALA A 37 16.595 15.665 -15.284 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.623 13.521 -14.038 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.428 14.809 -13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.778 14.300 -12.679 1.00 0.00 H new ATOM 573 N LEU A 38 13.475 15.407 -14.399 1.00 0.00 N ATOM 574 CA LEU A 38 12.141 14.956 -14.886 1.00 0.00 C ATOM 575 C LEU A 38 11.936 13.488 -14.505 1.00 0.00 C ATOM 576 O LEU A 38 12.851 12.691 -14.562 1.00 0.00 O ATOM 577 CB LEU A 38 12.076 15.104 -16.408 1.00 0.00 C ATOM 578 CG LEU A 38 10.784 15.827 -16.796 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.894 17.306 -16.424 1.00 0.00 C ATOM 580 CD2 LEU A 38 10.559 15.698 -18.306 1.00 0.00 C ATOM 0 H LEU A 38 13.455 16.021 -13.585 1.00 0.00 H new ATOM 0 HA LEU A 38 11.360 15.565 -14.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.940 15.663 -16.767 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.112 14.123 -16.881 1.00 0.00 H new ATOM 0 HG LEU A 38 9.945 15.379 -16.263 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.974 17.820 -16.701 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.053 17.400 -15.350 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.734 17.754 -16.956 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.639 16.213 -18.582 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.399 16.145 -18.838 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.479 14.644 -18.573 1.00 0.00 H new ATOM 592 N TYR A 39 10.746 13.126 -14.111 1.00 0.00 N ATOM 593 CA TYR A 39 10.490 11.711 -13.722 1.00 0.00 C ATOM 594 C TYR A 39 9.288 11.170 -14.500 1.00 0.00 C ATOM 595 O TYR A 39 8.525 11.915 -15.082 1.00 0.00 O ATOM 596 CB TYR A 39 10.196 11.641 -12.222 1.00 0.00 C ATOM 597 CG TYR A 39 11.484 11.434 -11.464 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.378 12.498 -11.297 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.784 10.177 -10.923 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.573 12.307 -10.592 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.979 9.985 -10.218 1.00 0.00 C ATOM 602 CZ TYR A 39 13.873 11.050 -10.052 1.00 0.00 C ATOM 603 OH TYR A 39 15.051 10.861 -9.357 1.00 0.00 O ATOM 0 H TYR A 39 9.941 13.748 -14.042 1.00 0.00 H new ATOM 0 HA TYR A 39 11.370 11.110 -13.952 1.00 0.00 H new ATOM 0 HB2 TYR A 39 9.712 12.560 -11.893 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.504 10.824 -12.014 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.146 13.468 -11.712 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.094 9.356 -11.050 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.263 13.128 -10.465 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.211 9.016 -9.802 1.00 0.00 H new ATOM 0 HH TYR A 39 15.640 11.632 -9.496 1.00 0.00 H new ATOM 613 N GLU A 40 9.113 9.877 -14.511 1.00 0.00 N ATOM 614 CA GLU A 40 7.960 9.283 -15.245 1.00 0.00 C ATOM 615 C GLU A 40 6.969 8.694 -14.239 1.00 0.00 C ATOM 616 O GLU A 40 7.170 7.618 -13.714 1.00 0.00 O ATOM 617 CB GLU A 40 8.462 8.177 -16.176 1.00 0.00 C ATOM 618 CG GLU A 40 9.969 8.337 -16.392 1.00 0.00 C ATOM 619 CD GLU A 40 10.381 7.609 -17.673 1.00 0.00 C ATOM 620 OE1 GLU A 40 9.619 7.650 -18.626 1.00 0.00 O ATOM 621 OE2 GLU A 40 11.451 7.023 -17.680 1.00 0.00 O ATOM 0 H GLU A 40 9.720 9.205 -14.042 1.00 0.00 H new ATOM 0 HA GLU A 40 7.466 10.055 -15.835 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.247 7.199 -15.745 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.940 8.226 -17.131 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.227 9.394 -16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.514 7.932 -15.540 1.00 0.00 H new ATOM 628 N ILE A 41 5.902 9.393 -13.964 1.00 0.00 N ATOM 629 CA ILE A 41 4.903 8.874 -12.989 1.00 0.00 C ATOM 630 C ILE A 41 4.087 7.753 -13.638 1.00 0.00 C ATOM 631 O ILE A 41 3.587 7.893 -14.736 1.00 0.00 O ATOM 632 CB ILE A 41 3.968 10.008 -12.567 1.00 0.00 C ATOM 633 CG1 ILE A 41 4.799 11.240 -12.201 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.145 9.569 -11.354 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.004 10.813 -11.363 1.00 0.00 C ATOM 0 H ILE A 41 5.679 10.301 -14.372 1.00 0.00 H new ATOM 0 HA ILE A 41 5.420 8.483 -12.113 1.00 0.00 H new ATOM 0 HB ILE A 41 3.296 10.251 -13.390 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.134 11.748 -13.106 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.189 11.951 -11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.479 10.378 -11.054 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.555 8.690 -11.614 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.814 9.325 -10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.596 11.691 -11.103 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.659 10.325 -10.452 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.618 10.119 -11.936 1.00 0.00 H new ATOM 647 N GLU A 42 3.948 6.641 -12.967 1.00 0.00 N ATOM 648 CA GLU A 42 3.164 5.514 -13.546 1.00 0.00 C ATOM 649 C GLU A 42 2.031 5.133 -12.588 1.00 0.00 C ATOM 650 O GLU A 42 2.263 4.730 -11.466 1.00 0.00 O ATOM 651 CB GLU A 42 4.082 4.307 -13.756 1.00 0.00 C ATOM 652 CG GLU A 42 4.992 4.137 -12.538 1.00 0.00 C ATOM 653 CD GLU A 42 5.732 2.801 -12.637 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.746 2.232 -13.716 1.00 0.00 O ATOM 655 OE2 GLU A 42 6.272 2.370 -11.631 1.00 0.00 O ATOM 0 H GLU A 42 4.344 6.465 -12.043 1.00 0.00 H new ATOM 0 HA GLU A 42 2.742 5.821 -14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.487 3.406 -13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.683 4.446 -14.655 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.707 4.958 -12.487 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.402 4.171 -11.622 1.00 0.00 H new ATOM 662 N HIS A 43 0.806 5.259 -13.023 1.00 0.00 N ATOM 663 CA HIS A 43 -0.341 4.905 -12.139 1.00 0.00 C ATOM 664 C HIS A 43 -0.914 3.551 -12.564 1.00 0.00 C ATOM 665 O HIS A 43 -0.774 3.136 -13.697 1.00 0.00 O ATOM 666 CB HIS A 43 -1.426 5.978 -12.258 1.00 0.00 C ATOM 667 CG HIS A 43 -0.903 7.280 -11.717 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.432 7.407 -10.418 1.00 0.00 N ATOM 669 CD2 HIS A 43 -0.772 8.525 -12.285 1.00 0.00 C ATOM 670 CE1 HIS A 43 -0.043 8.684 -10.248 1.00 0.00 C ATOM 671 NE2 HIS A 43 -0.230 9.404 -11.355 1.00 0.00 N ATOM 0 H HIS A 43 0.550 5.592 -13.953 1.00 0.00 H new ATOM 0 HA HIS A 43 0.001 4.846 -11.106 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.722 6.097 -13.300 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.316 5.674 -11.707 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.048 8.781 -13.297 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.369 9.077 -9.330 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.019 10.393 -11.491 1.00 0.00 H new ATOM 679 N HIS A 44 -1.560 2.859 -11.664 1.00 0.00 N ATOM 680 CA HIS A 44 -2.141 1.533 -12.019 1.00 0.00 C ATOM 681 C HIS A 44 -3.579 1.449 -11.502 1.00 0.00 C ATOM 682 O HIS A 44 -3.815 1.280 -10.322 1.00 0.00 O ATOM 683 CB HIS A 44 -1.300 0.421 -11.383 1.00 0.00 C ATOM 684 CG HIS A 44 -0.769 -0.492 -12.455 1.00 0.00 C ATOM 685 ND1 HIS A 44 -1.325 -0.960 -13.622 1.00 0.00 N flip ATOM 686 CD2 HIS A 44 0.503 -1.043 -12.395 1.00 0.00 C flip ATOM 687 CE1 HIS A 44 -0.414 -1.786 -14.270 1.00 0.00 C flip ATOM 688 NE2 HIS A 44 0.670 -1.803 -13.493 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.710 3.155 -10.699 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.140 1.414 -13.102 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.474 0.854 -10.819 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.905 -0.146 -10.676 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.228 -0.890 -11.609 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.554 -2.305 -15.206 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.519 -2.327 -13.705 1.00 0.00 H new ATOM 696 N LEU A 45 -4.541 1.563 -12.376 1.00 0.00 N ATOM 697 CA LEU A 45 -5.963 1.486 -11.935 1.00 0.00 C ATOM 698 C LEU A 45 -6.618 0.253 -12.559 1.00 0.00 C ATOM 699 O LEU A 45 -6.228 -0.201 -13.618 1.00 0.00 O ATOM 700 CB LEU A 45 -6.706 2.746 -12.387 1.00 0.00 C ATOM 701 CG LEU A 45 -6.056 3.976 -11.752 1.00 0.00 C ATOM 702 CD1 LEU A 45 -5.129 4.644 -12.769 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.143 4.964 -11.326 1.00 0.00 C ATOM 0 H LEU A 45 -4.404 1.706 -13.377 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.007 1.412 -10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.679 2.827 -13.474 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.755 2.686 -12.098 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.479 3.673 -10.879 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.665 5.521 -12.317 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.355 3.940 -13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.706 4.948 -13.642 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.680 5.841 -10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.720 5.268 -12.199 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.804 4.488 -10.602 1.00 0.00 H new ATOM 715 N PHE A 46 -7.609 -0.299 -11.913 1.00 0.00 N ATOM 716 CA PHE A 46 -8.278 -1.507 -12.475 1.00 0.00 C ATOM 717 C PHE A 46 -9.797 -1.343 -12.397 1.00 0.00 C ATOM 718 O PHE A 46 -10.309 -0.503 -11.684 1.00 0.00 O ATOM 719 CB PHE A 46 -7.856 -2.740 -11.674 1.00 0.00 C ATOM 720 CG PHE A 46 -7.489 -2.329 -10.268 1.00 0.00 C ATOM 721 CD1 PHE A 46 -6.328 -1.581 -10.039 1.00 0.00 C ATOM 722 CD2 PHE A 46 -8.309 -2.696 -9.193 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.985 -1.200 -8.737 1.00 0.00 C ATOM 724 CE2 PHE A 46 -7.967 -2.313 -7.891 1.00 0.00 C ATOM 725 CZ PHE A 46 -6.805 -1.566 -7.662 1.00 0.00 C ATOM 0 H PHE A 46 -7.983 0.033 -11.024 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.984 -1.629 -13.517 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.668 -3.467 -11.651 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.007 -3.226 -12.155 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.696 -1.298 -10.868 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.204 -3.274 -9.369 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.088 -0.624 -8.561 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.600 -2.594 -7.062 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.541 -1.272 -6.657 1.00 0.00 H new ATOM 735 N ALA A 47 -10.521 -2.147 -13.128 1.00 0.00 N ATOM 736 CA ALA A 47 -12.008 -2.047 -13.102 1.00 0.00 C ATOM 737 C ALA A 47 -12.612 -3.431 -13.350 1.00 0.00 C ATOM 738 O ALA A 47 -11.909 -4.391 -13.593 1.00 0.00 O ATOM 739 CB ALA A 47 -12.473 -1.084 -14.197 1.00 0.00 C ATOM 0 H ALA A 47 -10.146 -2.869 -13.743 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.333 -1.675 -12.130 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.560 -1.010 -14.179 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.039 -0.099 -14.024 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.151 -1.456 -15.170 1.00 0.00 H new ATOM 745 N GLU A 48 -13.911 -3.542 -13.295 1.00 0.00 N ATOM 746 CA GLU A 48 -14.555 -4.864 -13.530 1.00 0.00 C ATOM 747 C GLU A 48 -15.354 -4.816 -14.834 1.00 0.00 C ATOM 748 O GLU A 48 -15.529 -5.815 -15.503 1.00 0.00 O ATOM 749 CB GLU A 48 -15.495 -5.191 -12.367 1.00 0.00 C ATOM 750 CG GLU A 48 -15.958 -6.647 -12.477 1.00 0.00 C ATOM 751 CD GLU A 48 -17.485 -6.706 -12.404 1.00 0.00 C ATOM 752 OE1 GLU A 48 -18.021 -6.398 -11.353 1.00 0.00 O ATOM 753 OE2 GLU A 48 -18.092 -7.060 -13.401 1.00 0.00 O ATOM 0 H GLU A 48 -14.553 -2.775 -13.098 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.787 -5.634 -13.601 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.985 -5.032 -11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.356 -4.523 -12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.612 -7.080 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.522 -7.240 -11.673 1.00 0.00 H new ATOM 760 N ASP A 49 -15.841 -3.662 -15.200 1.00 0.00 N ATOM 761 CA ASP A 49 -16.627 -3.550 -16.459 1.00 0.00 C ATOM 762 C ASP A 49 -15.727 -3.023 -17.579 1.00 0.00 C ATOM 763 O ASP A 49 -15.465 -1.839 -17.674 1.00 0.00 O ATOM 764 CB ASP A 49 -17.795 -2.585 -16.246 1.00 0.00 C ATOM 765 CG ASP A 49 -19.058 -3.378 -15.905 1.00 0.00 C ATOM 766 OD1 ASP A 49 -19.526 -4.107 -16.764 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.535 -3.244 -14.790 1.00 0.00 O ATOM 0 H ASP A 49 -15.728 -2.792 -14.680 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.012 -4.532 -16.735 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.562 -1.888 -15.441 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.958 -1.991 -17.145 1.00 0.00 H new ATOM 772 N PHE A 50 -15.251 -3.891 -18.430 1.00 0.00 N ATOM 773 CA PHE A 50 -14.370 -3.437 -19.543 1.00 0.00 C ATOM 774 C PHE A 50 -14.927 -2.143 -20.138 1.00 0.00 C ATOM 775 O PHE A 50 -14.198 -1.213 -20.422 1.00 0.00 O ATOM 776 CB PHE A 50 -14.320 -4.518 -20.626 1.00 0.00 C ATOM 777 CG PHE A 50 -13.620 -3.976 -21.851 1.00 0.00 C ATOM 778 CD1 PHE A 50 -12.222 -3.934 -21.899 1.00 0.00 C ATOM 779 CD2 PHE A 50 -14.372 -3.517 -22.940 1.00 0.00 C ATOM 780 CE1 PHE A 50 -11.575 -3.433 -23.035 1.00 0.00 C ATOM 781 CE2 PHE A 50 -13.724 -3.017 -24.076 1.00 0.00 C ATOM 782 CZ PHE A 50 -12.326 -2.974 -24.123 1.00 0.00 C ATOM 0 H PHE A 50 -15.434 -4.894 -18.402 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.365 -3.258 -19.162 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -13.794 -5.397 -20.253 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -15.330 -4.837 -20.883 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.642 -4.288 -21.060 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -15.451 -3.549 -22.903 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.496 -3.401 -23.072 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.303 -2.664 -24.916 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.827 -2.587 -24.999 1.00 0.00 H new ATOM 792 N ASP A 51 -16.216 -2.074 -20.329 1.00 0.00 N ATOM 793 CA ASP A 51 -16.819 -0.840 -20.904 1.00 0.00 C ATOM 794 C ASP A 51 -16.418 0.364 -20.051 1.00 0.00 C ATOM 795 O ASP A 51 -15.789 1.290 -20.524 1.00 0.00 O ATOM 796 CB ASP A 51 -18.343 -0.974 -20.912 1.00 0.00 C ATOM 797 CG ASP A 51 -18.725 -2.454 -20.850 1.00 0.00 C ATOM 798 OD1 ASP A 51 -18.493 -3.147 -21.827 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.242 -2.870 -19.826 1.00 0.00 O ATOM 0 H ASP A 51 -16.877 -2.819 -20.111 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.462 -0.700 -21.924 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.770 -0.441 -20.062 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.754 -0.519 -21.813 1.00 0.00 H new ATOM 804 N LYS A 52 -16.778 0.360 -18.798 1.00 0.00 N ATOM 805 CA LYS A 52 -16.417 1.504 -17.914 1.00 0.00 C ATOM 806 C LYS A 52 -14.898 1.686 -17.913 1.00 0.00 C ATOM 807 O LYS A 52 -14.390 2.746 -17.607 1.00 0.00 O ATOM 808 CB LYS A 52 -16.898 1.219 -16.490 1.00 0.00 C ATOM 809 CG LYS A 52 -16.750 2.482 -15.639 1.00 0.00 C ATOM 810 CD LYS A 52 -18.049 3.288 -15.691 1.00 0.00 C ATOM 811 CE LYS A 52 -19.130 2.571 -14.878 1.00 0.00 C ATOM 812 NZ LYS A 52 -20.104 1.930 -15.804 1.00 0.00 N ATOM 0 H LYS A 52 -17.307 -0.386 -18.347 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.892 2.413 -18.282 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.939 0.897 -16.504 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.318 0.405 -16.055 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.517 2.214 -14.609 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.920 3.086 -16.006 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.884 4.289 -15.293 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.375 3.406 -16.724 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.676 1.819 -14.233 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.642 3.281 -14.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -21.018 2.423 -15.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.745 1.986 -16.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.230 0.932 -15.539 1.00 0.00 H new ATOM 826 N LEU A 53 -14.168 0.659 -18.253 1.00 0.00 N ATOM 827 CA LEU A 53 -12.682 0.774 -18.272 1.00 0.00 C ATOM 828 C LEU A 53 -12.256 1.697 -19.415 1.00 0.00 C ATOM 829 O LEU A 53 -11.534 2.653 -19.216 1.00 0.00 O ATOM 830 CB LEU A 53 -12.067 -0.613 -18.478 1.00 0.00 C ATOM 831 CG LEU A 53 -10.616 -0.608 -17.992 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.152 -2.047 -17.758 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.725 0.048 -19.049 1.00 0.00 C ATOM 0 H LEU A 53 -14.536 -0.254 -18.518 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.337 1.188 -17.325 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.641 -1.361 -17.932 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.107 -0.887 -19.532 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.548 -0.047 -17.060 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.118 -2.044 -17.412 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.786 -2.516 -17.005 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.221 -2.608 -18.690 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.692 0.051 -18.702 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.793 -0.513 -19.981 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.055 1.073 -19.217 1.00 0.00 H new ATOM 845 N GLU A 54 -12.699 1.420 -20.610 1.00 0.00 N ATOM 846 CA GLU A 54 -12.321 2.284 -21.763 1.00 0.00 C ATOM 847 C GLU A 54 -12.875 3.693 -21.543 1.00 0.00 C ATOM 848 O GLU A 54 -12.370 4.660 -22.079 1.00 0.00 O ATOM 849 CB GLU A 54 -12.904 1.701 -23.051 1.00 0.00 C ATOM 850 CG GLU A 54 -11.874 0.779 -23.707 1.00 0.00 C ATOM 851 CD GLU A 54 -10.835 1.619 -24.451 1.00 0.00 C ATOM 852 OE1 GLU A 54 -10.252 2.492 -23.829 1.00 0.00 O ATOM 853 OE2 GLU A 54 -10.640 1.376 -25.630 1.00 0.00 O ATOM 0 H GLU A 54 -13.306 0.633 -20.838 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.235 2.328 -21.845 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.816 1.146 -22.831 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.177 2.504 -23.735 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.386 0.165 -22.950 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.369 0.098 -24.399 1.00 0.00 H new ATOM 860 N LYS A 55 -13.908 3.817 -20.757 1.00 0.00 N ATOM 861 CA LYS A 55 -14.493 5.164 -20.501 1.00 0.00 C ATOM 862 C LYS A 55 -13.513 5.988 -19.667 1.00 0.00 C ATOM 863 O LYS A 55 -13.044 7.028 -20.087 1.00 0.00 O ATOM 864 CB LYS A 55 -15.811 5.012 -19.739 1.00 0.00 C ATOM 865 CG LYS A 55 -16.935 4.687 -20.724 1.00 0.00 C ATOM 866 CD LYS A 55 -18.285 4.827 -20.020 1.00 0.00 C ATOM 867 CE LYS A 55 -19.413 4.617 -21.032 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.511 3.171 -21.372 1.00 0.00 N ATOM 0 H LYS A 55 -14.373 3.044 -20.281 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.680 5.668 -21.449 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.724 4.220 -18.995 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.040 5.931 -19.200 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.888 5.359 -21.581 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.816 3.674 -21.107 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.364 4.097 -19.214 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.369 5.814 -19.565 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.358 4.969 -20.618 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.222 5.201 -21.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.350 3.010 -21.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.658 2.878 -21.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.594 2.614 -20.498 1.00 0.00 H new ATOM 882 N ALA A 56 -13.195 5.530 -18.486 1.00 0.00 N ATOM 883 CA ALA A 56 -12.240 6.286 -17.628 1.00 0.00 C ATOM 884 C ALA A 56 -10.900 6.408 -18.353 1.00 0.00 C ATOM 885 O ALA A 56 -10.318 7.472 -18.427 1.00 0.00 O ATOM 886 CB ALA A 56 -12.041 5.541 -16.307 1.00 0.00 C ATOM 0 H ALA A 56 -13.555 4.666 -18.080 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.638 7.280 -17.425 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.342 6.094 -15.679 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.998 5.450 -15.793 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.641 4.547 -16.507 1.00 0.00 H new ATOM 892 N ALA A 57 -10.407 5.327 -18.894 1.00 0.00 N ATOM 893 CA ALA A 57 -9.107 5.386 -19.619 1.00 0.00 C ATOM 894 C ALA A 57 -9.200 6.433 -20.730 1.00 0.00 C ATOM 895 O ALA A 57 -8.343 7.284 -20.869 1.00 0.00 O ATOM 896 CB ALA A 57 -8.800 4.017 -20.229 1.00 0.00 C ATOM 0 H ALA A 57 -10.848 4.408 -18.865 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.311 5.657 -18.926 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.849 4.060 -20.760 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.740 3.271 -19.437 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.592 3.743 -20.926 1.00 0.00 H new ATOM 902 N VAL A 58 -10.237 6.381 -21.521 1.00 0.00 N ATOM 903 CA VAL A 58 -10.390 7.375 -22.620 1.00 0.00 C ATOM 904 C VAL A 58 -10.327 8.786 -22.035 1.00 0.00 C ATOM 905 O VAL A 58 -9.637 9.650 -22.540 1.00 0.00 O ATOM 906 CB VAL A 58 -11.740 7.170 -23.309 1.00 0.00 C ATOM 907 CG1 VAL A 58 -12.119 8.435 -24.079 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.642 5.992 -24.281 1.00 0.00 C ATOM 0 H VAL A 58 -10.986 5.692 -21.453 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.588 7.243 -23.347 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.502 6.961 -22.558 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.081 8.288 -24.570 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.189 9.275 -23.387 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.357 8.646 -24.830 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.604 5.845 -24.773 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.879 6.202 -25.031 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.373 5.089 -23.733 1.00 0.00 H new ATOM 918 N GLU A 59 -11.042 9.026 -20.969 1.00 0.00 N ATOM 919 CA GLU A 59 -11.024 10.379 -20.346 1.00 0.00 C ATOM 920 C GLU A 59 -9.612 10.686 -19.842 1.00 0.00 C ATOM 921 O GLU A 59 -9.161 11.813 -19.877 1.00 0.00 O ATOM 922 CB GLU A 59 -12.005 10.410 -19.169 1.00 0.00 C ATOM 923 CG GLU A 59 -12.796 11.720 -19.190 1.00 0.00 C ATOM 924 CD GLU A 59 -11.894 12.871 -18.739 1.00 0.00 C ATOM 925 OE1 GLU A 59 -10.910 13.125 -19.415 1.00 0.00 O ATOM 926 OE2 GLU A 59 -12.200 13.476 -17.726 1.00 0.00 O ATOM 0 H GLU A 59 -11.638 8.342 -20.503 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.318 11.126 -21.084 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.687 9.562 -19.229 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.462 10.317 -18.228 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.174 11.913 -20.194 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.662 11.644 -18.533 1.00 0.00 H new ATOM 933 N ALA A 60 -8.909 9.689 -19.377 1.00 0.00 N ATOM 934 CA ALA A 60 -7.527 9.922 -18.875 1.00 0.00 C ATOM 935 C ALA A 60 -6.609 10.254 -20.052 1.00 0.00 C ATOM 936 O ALA A 60 -6.086 11.346 -20.153 1.00 0.00 O ATOM 937 CB ALA A 60 -7.019 8.663 -18.171 1.00 0.00 C ATOM 0 H ALA A 60 -9.233 8.723 -19.324 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.532 10.753 -18.170 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.007 8.835 -17.804 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.674 8.426 -17.333 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.013 7.830 -18.874 1.00 0.00 H new ATOM 943 N PHE A 61 -6.412 9.324 -20.945 1.00 0.00 N ATOM 944 CA PHE A 61 -5.530 9.594 -22.113 1.00 0.00 C ATOM 945 C PHE A 61 -5.784 11.016 -22.616 1.00 0.00 C ATOM 946 O PHE A 61 -4.872 11.726 -22.990 1.00 0.00 O ATOM 947 CB PHE A 61 -5.837 8.597 -23.231 1.00 0.00 C ATOM 948 CG PHE A 61 -4.908 8.846 -24.394 1.00 0.00 C ATOM 949 CD1 PHE A 61 -3.530 8.645 -24.245 1.00 0.00 C ATOM 950 CD2 PHE A 61 -5.422 9.277 -25.623 1.00 0.00 C ATOM 951 CE1 PHE A 61 -2.667 8.876 -25.322 1.00 0.00 C ATOM 952 CE2 PHE A 61 -4.559 9.509 -26.702 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.182 9.308 -26.551 1.00 0.00 C ATOM 0 H PHE A 61 -6.823 8.391 -20.916 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.487 9.489 -21.814 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.716 7.577 -22.867 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.874 8.700 -23.551 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.133 8.311 -23.298 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.485 9.431 -25.739 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.604 8.721 -25.206 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.956 9.843 -27.649 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.516 9.486 -27.383 1.00 0.00 H new ATOM 963 N LYS A 62 -7.018 11.438 -22.625 1.00 0.00 N ATOM 964 CA LYS A 62 -7.332 12.813 -23.100 1.00 0.00 C ATOM 965 C LYS A 62 -6.706 13.833 -22.146 1.00 0.00 C ATOM 966 O LYS A 62 -6.075 14.782 -22.564 1.00 0.00 O ATOM 967 CB LYS A 62 -8.850 13.007 -23.129 1.00 0.00 C ATOM 968 CG LYS A 62 -9.200 14.157 -24.074 1.00 0.00 C ATOM 969 CD LYS A 62 -10.720 14.294 -24.169 1.00 0.00 C ATOM 970 CE LYS A 62 -11.254 13.340 -25.239 1.00 0.00 C ATOM 971 NZ LYS A 62 -12.700 13.076 -24.993 1.00 0.00 N ATOM 0 H LYS A 62 -7.823 10.889 -22.323 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.928 12.955 -24.103 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.338 12.090 -23.459 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.219 13.221 -22.126 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.762 15.087 -23.710 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.778 13.971 -25.062 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.177 14.068 -23.205 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.988 15.321 -24.416 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.116 13.774 -26.229 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.694 12.405 -25.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.063 12.427 -25.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.819 12.645 -24.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.228 13.971 -25.033 1.00 0.00 H new ATOM 985 N MET A 63 -6.875 13.640 -20.866 1.00 0.00 N ATOM 986 CA MET A 63 -6.287 14.595 -19.886 1.00 0.00 C ATOM 987 C MET A 63 -4.841 14.901 -20.280 1.00 0.00 C ATOM 988 O MET A 63 -4.401 16.033 -20.238 1.00 0.00 O ATOM 989 CB MET A 63 -6.312 13.974 -18.488 1.00 0.00 C ATOM 990 CG MET A 63 -6.282 15.083 -17.435 1.00 0.00 C ATOM 991 SD MET A 63 -7.971 15.454 -16.902 1.00 0.00 S ATOM 992 CE MET A 63 -8.249 13.936 -15.958 1.00 0.00 C ATOM 0 H MET A 63 -7.394 12.863 -20.458 1.00 0.00 H new ATOM 0 HA MET A 63 -6.868 15.517 -19.884 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.208 13.366 -18.365 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.456 13.311 -18.358 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.680 14.772 -16.581 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.814 15.977 -17.847 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.012 13.335 -16.452 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.321 13.368 -15.901 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.582 14.189 -14.951 1.00 0.00 H new ATOM 1002 N GLY A 64 -4.098 13.898 -20.662 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.681 14.128 -21.058 1.00 0.00 C ATOM 1004 C GLY A 64 -1.817 12.974 -20.550 1.00 0.00 C ATOM 1005 O GLY A 64 -0.605 13.017 -20.613 1.00 0.00 O ATOM 0 H GLY A 64 -4.412 12.929 -20.717 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.603 14.205 -22.142 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.325 15.072 -20.645 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.433 11.940 -20.044 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.649 10.783 -19.531 1.00 0.00 C ATOM 1011 C PHE A 65 -1.515 9.729 -20.632 1.00 0.00 C ATOM 1012 O PHE A 65 -2.224 9.754 -21.618 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.372 10.170 -18.329 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.249 11.093 -17.141 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -2.784 12.385 -17.200 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.600 10.656 -15.980 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -2.670 13.241 -16.098 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.486 11.512 -14.878 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.021 12.804 -14.937 1.00 0.00 C ATOM 0 H PHE A 65 -3.446 11.848 -19.964 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.659 11.122 -19.228 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.423 10.006 -18.568 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.944 9.196 -18.092 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.285 12.722 -18.096 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.187 9.659 -15.934 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.083 14.238 -16.144 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.985 11.175 -13.982 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.933 13.464 -14.087 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.611 8.803 -20.469 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.432 7.747 -21.505 1.00 0.00 C ATOM 1031 C GLU A 66 -1.003 6.426 -20.984 1.00 0.00 C ATOM 1032 O GLU A 66 -0.340 5.683 -20.288 1.00 0.00 O ATOM 1033 CB GLU A 66 1.060 7.578 -21.808 1.00 0.00 C ATOM 1034 CG GLU A 66 1.328 7.923 -23.275 1.00 0.00 C ATOM 1035 CD GLU A 66 1.218 9.437 -23.470 1.00 0.00 C ATOM 1036 OE1 GLU A 66 2.087 10.142 -22.986 1.00 0.00 O ATOM 1037 OE2 GLU A 66 0.266 9.865 -24.102 1.00 0.00 O ATOM 0 H GLU A 66 0.011 8.732 -19.664 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.955 8.035 -22.417 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.649 8.225 -21.158 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.369 6.553 -21.602 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.321 7.579 -23.565 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.612 7.410 -23.917 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.231 6.130 -21.312 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.847 4.860 -20.832 1.00 0.00 C ATOM 1046 C VAL A 67 -2.056 3.667 -21.377 1.00 0.00 C ATOM 1047 O VAL A 67 -1.712 3.616 -22.541 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.295 4.780 -21.322 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.315 4.696 -22.849 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.963 3.533 -20.736 1.00 0.00 C ATOM 0 H VAL A 67 -2.835 6.713 -21.892 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.829 4.837 -19.742 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.836 5.670 -21.000 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.346 4.639 -23.197 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.839 5.582 -23.268 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.774 3.807 -23.172 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.994 3.475 -21.084 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.421 2.644 -21.058 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.950 3.591 -19.648 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.769 2.705 -20.542 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.005 1.513 -21.008 1.00 0.00 C ATOM 1062 C LEU A 68 -1.919 0.287 -20.992 1.00 0.00 C ATOM 1063 O LEU A 68 -2.730 0.117 -20.103 1.00 0.00 O ATOM 1064 CB LEU A 68 0.188 1.274 -20.076 1.00 0.00 C ATOM 1065 CG LEU A 68 1.482 1.260 -20.892 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.681 1.377 -19.947 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.578 -0.050 -21.679 1.00 0.00 C ATOM 0 H LEU A 68 -2.031 2.693 -19.556 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.644 1.685 -22.022 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.233 2.056 -19.318 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.068 0.327 -19.550 1.00 0.00 H new ATOM 0 HG LEU A 68 1.482 2.100 -21.587 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.604 1.367 -20.527 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.614 2.310 -19.388 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.680 0.537 -19.252 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.500 -0.059 -22.260 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.578 -0.892 -20.986 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.725 -0.134 -22.352 1.00 0.00 H new ATOM 1079 N GLU A 69 -1.795 -0.569 -21.968 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.658 -1.783 -22.007 1.00 0.00 C ATOM 1081 C GLU A 69 -2.720 -2.409 -20.612 1.00 0.00 C ATOM 1082 O GLU A 69 -1.860 -2.189 -19.782 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.074 -2.794 -22.995 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.164 -2.231 -24.415 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.524 -2.583 -25.019 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.477 -1.878 -24.733 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -3.590 -3.553 -25.757 1.00 0.00 O ATOM 0 H GLU A 69 -1.134 -0.481 -22.740 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.663 -1.504 -22.325 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.035 -3.007 -22.742 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.618 -3.737 -22.931 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.031 -1.149 -24.398 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.364 -2.641 -25.031 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.731 -3.190 -20.348 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.848 -3.830 -19.008 1.00 0.00 C ATOM 1096 C ALA A 70 -3.360 -5.276 -19.088 1.00 0.00 C ATOM 1097 O ALA A 70 -2.992 -5.760 -20.140 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.310 -3.809 -18.559 1.00 0.00 C ATOM 0 H ALA A 70 -4.481 -3.413 -21.002 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.239 -3.281 -18.290 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.396 -4.277 -17.578 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.658 -2.778 -18.500 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.919 -4.357 -19.278 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.351 -5.971 -17.985 1.00 0.00 N ATOM 1105 CA GLU A 71 -2.884 -7.385 -18.000 1.00 0.00 C ATOM 1106 C GLU A 71 -3.716 -8.208 -17.014 1.00 0.00 C ATOM 1107 O GLU A 71 -3.566 -8.093 -15.813 1.00 0.00 O ATOM 1108 CB GLU A 71 -1.410 -7.439 -17.594 1.00 0.00 C ATOM 1109 CG GLU A 71 -0.896 -8.874 -17.718 1.00 0.00 C ATOM 1110 CD GLU A 71 0.547 -8.858 -18.224 1.00 0.00 C ATOM 1111 OE1 GLU A 71 1.424 -8.519 -17.446 1.00 0.00 O ATOM 1112 OE2 GLU A 71 0.752 -9.187 -19.382 1.00 0.00 O ATOM 0 H GLU A 71 -3.647 -5.621 -17.074 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.000 -7.795 -19.003 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.823 -6.776 -18.229 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.291 -7.087 -16.569 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.948 -9.375 -16.751 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.527 -9.439 -18.404 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.591 -9.039 -17.511 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.429 -9.870 -16.602 1.00 0.00 C ATOM 1121 C GLU A 72 -4.597 -10.287 -15.388 1.00 0.00 C ATOM 1122 O GLU A 72 -3.891 -11.275 -15.417 1.00 0.00 O ATOM 1123 CB GLU A 72 -5.905 -11.119 -17.349 1.00 0.00 C ATOM 1124 CG GLU A 72 -6.503 -10.710 -18.697 1.00 0.00 C ATOM 1125 CD GLU A 72 -7.413 -11.826 -19.212 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -8.267 -12.263 -18.457 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -7.242 -12.225 -20.352 1.00 0.00 O ATOM 0 H GLU A 72 -4.761 -9.178 -18.507 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.293 -9.294 -16.271 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.071 -11.804 -17.502 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.649 -11.650 -16.755 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.069 -9.785 -18.590 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.707 -10.515 -19.416 1.00 0.00 H new ATOM 1134 N THR A 73 -4.668 -9.537 -14.323 1.00 0.00 N ATOM 1135 CA THR A 73 -3.876 -9.888 -13.111 1.00 0.00 C ATOM 1136 C THR A 73 -4.816 -10.339 -11.992 1.00 0.00 C ATOM 1137 O THR A 73 -5.952 -10.700 -12.227 1.00 0.00 O ATOM 1138 CB THR A 73 -3.084 -8.663 -12.651 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.342 -8.992 -11.485 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.048 -7.518 -12.339 1.00 0.00 C ATOM 0 H THR A 73 -5.240 -8.697 -14.240 1.00 0.00 H new ATOM 0 HA THR A 73 -3.189 -10.699 -13.350 1.00 0.00 H new ATOM 0 HB THR A 73 -2.400 -8.353 -13.442 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.832 -8.209 -11.190 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.483 -6.646 -12.011 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.616 -7.267 -13.234 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.733 -7.824 -11.548 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.034 -11.910 -10.535 1.00 0.00 N ATOM 1224 CA LYS A 80 -9.771 -11.521 -11.949 1.00 0.00 C ATOM 1225 C LYS A 80 -10.193 -10.066 -12.163 1.00 0.00 C ATOM 1226 O LYS A 80 -11.306 -9.682 -11.865 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.574 -12.429 -12.884 1.00 0.00 C ATOM 1228 CG LYS A 80 -10.439 -11.930 -14.325 1.00 0.00 C ATOM 1229 CD LYS A 80 -11.800 -11.440 -14.828 1.00 0.00 C ATOM 1230 CE LYS A 80 -11.751 -11.276 -16.348 1.00 0.00 C ATOM 1231 NZ LYS A 80 -10.396 -10.809 -16.752 1.00 0.00 N ATOM 0 HA LYS A 80 -8.708 -11.626 -12.165 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.214 -13.455 -12.809 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.623 -12.437 -12.588 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.709 -11.122 -14.374 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.070 -12.731 -14.965 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.579 -12.151 -14.553 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.054 -10.491 -14.357 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.981 -12.224 -16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.506 -10.560 -16.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.435 -10.425 -17.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.075 -10.068 -16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.731 -11.608 -16.724 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.310 -9.252 -12.674 1.00 0.00 N ATOM 1246 CA LEU A 81 -9.660 -7.822 -12.903 1.00 0.00 C ATOM 1247 C LEU A 81 -8.676 -7.206 -13.900 1.00 0.00 C ATOM 1248 O LEU A 81 -7.513 -7.553 -13.932 1.00 0.00 O ATOM 1249 CB LEU A 81 -9.582 -7.063 -11.577 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.304 -7.461 -10.837 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -7.577 -6.203 -10.358 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -8.663 -8.332 -9.630 1.00 0.00 C ATOM 0 H LEU A 81 -8.362 -9.516 -12.943 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.671 -7.755 -13.305 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.590 -5.988 -11.760 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.455 -7.289 -10.965 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.655 -8.021 -11.510 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.666 -6.488 -9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.320 -5.582 -11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.226 -5.642 -9.685 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.752 -8.616 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.312 -7.772 -8.957 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.180 -9.229 -9.970 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.133 -6.291 -14.711 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.221 -5.651 -15.700 1.00 0.00 C ATOM 1266 C LEU A 82 -7.481 -4.492 -15.029 1.00 0.00 C ATOM 1267 O LEU A 82 -8.060 -3.722 -14.289 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.037 -5.121 -16.882 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.540 -6.295 -17.724 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -10.728 -6.954 -17.019 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.983 -5.789 -19.101 1.00 0.00 C ATOM 0 H LEU A 82 -10.097 -5.960 -14.731 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.500 -6.385 -16.060 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.880 -4.532 -16.520 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.424 -4.458 -17.493 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.737 -7.022 -17.847 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.088 -7.791 -17.618 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.415 -7.316 -16.040 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.529 -6.225 -16.897 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.341 -6.627 -19.699 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.785 -5.061 -18.980 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.139 -5.318 -19.605 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.207 -4.362 -15.276 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.440 -3.251 -14.642 1.00 0.00 C ATOM 1285 C CYS A 83 -4.652 -2.491 -15.710 1.00 0.00 C ATOM 1286 O CYS A 83 -3.604 -2.924 -16.145 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.471 -3.826 -13.608 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.776 -2.478 -12.619 1.00 0.00 S ATOM 0 H CYS A 83 -5.665 -4.974 -15.886 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.134 -2.568 -14.153 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.989 -4.535 -12.963 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.672 -4.374 -14.107 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.732 -1.992 -13.221 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.140 -1.355 -16.129 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.405 -0.569 -17.160 1.00 0.00 C ATOM 1296 C PHE A 84 -3.475 0.422 -16.459 1.00 0.00 C ATOM 1297 O PHE A 84 -3.780 0.926 -15.398 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.397 0.187 -18.049 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.439 0.867 -17.192 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.418 0.107 -16.544 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.427 2.260 -17.056 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.387 0.741 -15.755 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.396 2.893 -16.269 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.375 2.134 -15.619 1.00 0.00 C ATOM 0 H PHE A 84 -6.012 -0.939 -15.803 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.820 -1.243 -17.786 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.869 0.927 -18.651 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.877 -0.504 -18.742 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.427 -0.968 -16.652 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.671 2.846 -17.558 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.142 0.155 -15.252 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.388 3.968 -16.164 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.122 2.623 -15.012 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.337 0.695 -17.036 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.387 1.642 -16.388 1.00 0.00 C ATOM 1316 C ASP A 85 -1.378 2.974 -17.139 1.00 0.00 C ATOM 1317 O ASP A 85 -1.707 3.044 -18.305 1.00 0.00 O ATOM 1318 CB ASP A 85 0.019 1.038 -16.405 1.00 0.00 C ATOM 1319 CG ASP A 85 1.056 2.150 -16.229 1.00 0.00 C ATOM 1320 OD1 ASP A 85 1.183 2.645 -15.122 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.706 2.485 -17.206 1.00 0.00 O ATOM 0 H ASP A 85 -2.025 0.305 -17.925 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.702 1.817 -15.359 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.120 0.303 -15.607 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.189 0.513 -17.345 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.994 4.030 -16.475 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.951 5.361 -17.141 1.00 0.00 C ATOM 1328 C ALA A 86 0.436 5.974 -16.934 1.00 0.00 C ATOM 1329 O ALA A 86 1.113 5.682 -15.969 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.013 6.275 -16.525 1.00 0.00 C ATOM 0 H ALA A 86 -0.707 4.027 -15.496 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.150 5.249 -18.207 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.982 7.249 -17.013 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.999 5.832 -16.663 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.816 6.396 -15.460 1.00 0.00 H new ATOM 1336 N THR A 87 0.870 6.816 -17.830 1.00 0.00 N ATOM 1337 CA THR A 87 2.219 7.432 -17.672 1.00 0.00 C ATOM 1338 C THR A 87 2.124 8.950 -17.845 1.00 0.00 C ATOM 1339 O THR A 87 1.321 9.451 -18.606 1.00 0.00 O ATOM 1340 CB THR A 87 3.167 6.858 -18.727 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.411 6.176 -19.718 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.140 5.882 -18.063 1.00 0.00 C ATOM 0 H THR A 87 0.353 7.104 -18.661 1.00 0.00 H new ATOM 0 HA THR A 87 2.600 7.209 -16.675 1.00 0.00 H new ATOM 0 HB THR A 87 3.729 7.668 -19.192 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.016 5.809 -20.396 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.815 5.473 -18.815 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.719 6.406 -17.302 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.581 5.070 -17.598 1.00 0.00 H new ATOM 1350 N MET A 88 2.944 9.683 -17.142 1.00 0.00 N ATOM 1351 CA MET A 88 2.913 11.168 -17.261 1.00 0.00 C ATOM 1352 C MET A 88 4.283 11.735 -16.880 1.00 0.00 C ATOM 1353 O MET A 88 4.641 11.791 -15.720 1.00 0.00 O ATOM 1354 CB MET A 88 1.848 11.736 -16.319 1.00 0.00 C ATOM 1355 CG MET A 88 1.803 13.260 -16.457 1.00 0.00 C ATOM 1356 SD MET A 88 0.493 13.923 -15.397 1.00 0.00 S ATOM 1357 CE MET A 88 -0.286 14.988 -16.636 1.00 0.00 C ATOM 0 H MET A 88 3.636 9.316 -16.489 1.00 0.00 H new ATOM 0 HA MET A 88 2.674 11.446 -18.288 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.873 11.310 -16.556 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.074 11.460 -15.289 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.765 13.690 -16.177 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.620 13.537 -17.495 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.102 15.545 -16.176 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.452 15.686 -17.031 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.677 14.375 -17.448 1.00 0.00 H new ATOM 1367 N GLN A 89 5.053 12.154 -17.848 1.00 0.00 N ATOM 1368 CA GLN A 89 6.398 12.715 -17.535 1.00 0.00 C ATOM 1369 C GLN A 89 6.238 14.080 -16.865 1.00 0.00 C ATOM 1370 O GLN A 89 5.790 15.032 -17.471 1.00 0.00 O ATOM 1371 CB GLN A 89 7.201 12.876 -18.829 1.00 0.00 C ATOM 1372 CG GLN A 89 6.674 11.902 -19.884 1.00 0.00 C ATOM 1373 CD GLN A 89 7.785 11.590 -20.888 1.00 0.00 C ATOM 1374 OE1 GLN A 89 8.001 12.335 -21.824 1.00 0.00 O ATOM 1375 NE2 GLN A 89 8.504 10.513 -20.733 1.00 0.00 N ATOM 0 H GLN A 89 4.810 12.132 -18.838 1.00 0.00 H new ATOM 0 HA GLN A 89 6.924 12.037 -16.863 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.122 13.900 -19.193 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.257 12.686 -18.639 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.331 10.984 -19.408 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.816 12.335 -20.398 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.323 9.888 -19.948 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.247 10.296 -21.397 1.00 0.00 H new ATOM 1384 N SER A 90 6.602 14.184 -15.616 1.00 0.00 N ATOM 1385 CA SER A 90 6.471 15.487 -14.908 1.00 0.00 C ATOM 1386 C SER A 90 7.672 15.687 -13.983 1.00 0.00 C ATOM 1387 O SER A 90 8.558 14.858 -13.912 1.00 0.00 O ATOM 1388 CB SER A 90 5.184 15.492 -14.083 1.00 0.00 C ATOM 1389 OG SER A 90 5.396 14.766 -12.878 1.00 0.00 O ATOM 0 H SER A 90 6.984 13.422 -15.056 1.00 0.00 H new ATOM 0 HA SER A 90 6.437 16.296 -15.638 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.887 16.516 -13.857 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.371 15.043 -14.653 1.00 0.00 H new ATOM 0 HG SER A 90 4.573 14.768 -12.346 1.00 0.00 H new ATOM 1395 N ALA A 91 7.711 16.781 -13.274 1.00 0.00 N ATOM 1396 CA ALA A 91 8.856 17.033 -12.355 1.00 0.00 C ATOM 1397 C ALA A 91 8.794 16.055 -11.180 1.00 0.00 C ATOM 1398 O ALA A 91 7.960 15.172 -11.139 1.00 0.00 O ATOM 1399 CB ALA A 91 8.781 18.469 -11.829 1.00 0.00 C ATOM 0 H ALA A 91 6.999 17.511 -13.291 1.00 0.00 H new ATOM 0 HA ALA A 91 9.792 16.892 -12.895 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.618 18.654 -11.156 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.827 19.166 -12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.844 18.610 -11.290 1.00 0.00 H new ATOM 1405 N LEU A 92 9.671 16.203 -10.227 1.00 0.00 N ATOM 1406 CA LEU A 92 9.663 15.281 -9.057 1.00 0.00 C ATOM 1407 C LEU A 92 9.280 16.061 -7.798 1.00 0.00 C ATOM 1408 O LEU A 92 10.083 16.777 -7.232 1.00 0.00 O ATOM 1409 CB LEU A 92 11.055 14.674 -8.877 1.00 0.00 C ATOM 1410 CG LEU A 92 11.052 13.737 -7.669 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.229 12.489 -7.994 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.490 13.329 -7.339 1.00 0.00 C ATOM 0 H LEU A 92 10.393 16.923 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 92 8.939 14.484 -9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.343 14.126 -9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.792 15.464 -8.735 1.00 0.00 H new ATOM 0 HG LEU A 92 10.613 14.248 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.226 11.820 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.205 12.780 -8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.668 11.976 -8.850 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.490 12.661 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.929 12.817 -8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.077 14.218 -7.108 1.00 0.00 H new ATOM 1424 N ASP A 93 8.060 15.931 -7.356 1.00 0.00 N ATOM 1425 CA ASP A 93 7.630 16.667 -6.134 1.00 0.00 C ATOM 1426 C ASP A 93 6.374 16.010 -5.557 1.00 0.00 C ATOM 1427 O ASP A 93 5.512 15.552 -6.280 1.00 0.00 O ATOM 1428 CB ASP A 93 7.324 18.121 -6.499 1.00 0.00 C ATOM 1429 CG ASP A 93 8.462 19.019 -6.009 1.00 0.00 C ATOM 1430 OD1 ASP A 93 8.799 18.929 -4.840 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.977 19.780 -6.812 1.00 0.00 O ATOM 0 H ASP A 93 7.343 15.348 -7.787 1.00 0.00 H new ATOM 0 HA ASP A 93 8.427 16.638 -5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.207 18.220 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.382 18.430 -6.047 1.00 0.00 H new ATOM 1436 N ALA A 94 6.265 15.962 -4.257 1.00 0.00 N ATOM 1437 CA ALA A 94 5.068 15.335 -3.633 1.00 0.00 C ATOM 1438 C ALA A 94 3.837 16.206 -3.899 1.00 0.00 C ATOM 1439 O ALA A 94 2.815 15.730 -4.350 1.00 0.00 O ATOM 1440 CB ALA A 94 5.287 15.208 -2.124 1.00 0.00 C ATOM 0 H ALA A 94 6.954 16.330 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 94 4.911 14.345 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.411 14.749 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.163 14.587 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.444 16.197 -1.695 1.00 0.00 H new ATOM 1446 N LYS A 95 3.928 17.479 -3.626 1.00 0.00 N ATOM 1447 CA LYS A 95 2.762 18.376 -3.868 1.00 0.00 C ATOM 1448 C LYS A 95 2.273 18.195 -5.307 1.00 0.00 C ATOM 1449 O LYS A 95 1.104 17.975 -5.553 1.00 0.00 O ATOM 1450 CB LYS A 95 3.180 19.831 -3.650 1.00 0.00 C ATOM 1451 CG LYS A 95 4.701 19.908 -3.500 1.00 0.00 C ATOM 1452 CD LYS A 95 5.135 21.373 -3.433 1.00 0.00 C ATOM 1453 CE LYS A 95 6.474 21.543 -4.154 1.00 0.00 C ATOM 1454 NZ LYS A 95 6.288 21.304 -5.613 1.00 0.00 N ATOM 0 H LYS A 95 4.757 17.936 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 95 1.959 18.124 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.855 20.444 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.695 20.230 -2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.015 19.383 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.185 19.413 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.379 22.009 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.227 21.689 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.864 22.547 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.207 20.844 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.198 21.420 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.934 20.338 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.602 21.987 -5.992 1.00 0.00 H new ATOM 1468 N LEU A 96 3.162 18.282 -6.259 1.00 0.00 N ATOM 1469 CA LEU A 96 2.750 18.114 -7.680 1.00 0.00 C ATOM 1470 C LEU A 96 2.151 16.718 -7.872 1.00 0.00 C ATOM 1471 O LEU A 96 1.225 16.529 -8.635 1.00 0.00 O ATOM 1472 CB LEU A 96 3.973 18.276 -8.587 1.00 0.00 C ATOM 1473 CG LEU A 96 3.823 19.545 -9.428 1.00 0.00 C ATOM 1474 CD1 LEU A 96 5.186 19.946 -9.996 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.850 19.281 -10.579 1.00 0.00 C ATOM 0 H LEU A 96 4.155 18.462 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 96 2.006 18.868 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.880 18.332 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.074 17.407 -9.237 1.00 0.00 H new ATOM 0 HG LEU A 96 3.439 20.351 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.079 20.850 -10.595 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.881 20.134 -9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.571 19.140 -10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.742 20.185 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.235 18.475 -11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.878 18.995 -10.176 1.00 0.00 H new ATOM 1487 N ILE A 97 2.675 15.741 -7.185 1.00 0.00 N ATOM 1488 CA ILE A 97 2.135 14.359 -7.326 1.00 0.00 C ATOM 1489 C ILE A 97 0.762 14.276 -6.658 1.00 0.00 C ATOM 1490 O ILE A 97 -0.031 13.405 -6.954 1.00 0.00 O ATOM 1491 CB ILE A 97 3.091 13.369 -6.658 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.236 13.040 -7.620 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.337 12.085 -6.308 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.378 12.372 -6.849 1.00 0.00 C ATOM 0 H ILE A 97 3.453 15.839 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 97 2.037 14.112 -8.383 1.00 0.00 H new ATOM 0 HB ILE A 97 3.494 13.812 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.882 12.379 -8.411 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.593 13.950 -8.102 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.019 11.381 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.520 12.317 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.933 11.641 -7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.192 12.138 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.739 13.049 -6.074 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.017 11.453 -6.388 1.00 0.00 H new ATOM 1506 N ASP A 98 0.474 15.177 -5.759 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.849 15.149 -5.074 1.00 0.00 C ATOM 1508 C ASP A 98 -1.914 15.718 -6.012 1.00 0.00 C ATOM 1509 O ASP A 98 -3.035 15.252 -6.050 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.784 15.995 -3.800 1.00 0.00 C ATOM 1511 CG ASP A 98 -0.239 15.144 -2.651 1.00 0.00 C ATOM 1512 OD1 ASP A 98 0.420 14.155 -2.932 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -0.490 15.494 -1.510 1.00 0.00 O ATOM 0 H ASP A 98 1.097 15.931 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.103 14.122 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.144 16.863 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.776 16.371 -3.549 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.573 16.722 -6.773 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.565 17.317 -7.711 1.00 0.00 C ATOM 1520 C GLU A 99 -2.873 16.315 -8.825 1.00 0.00 C ATOM 1521 O GLU A 99 -4.016 16.055 -9.141 1.00 0.00 O ATOM 1522 CB GLU A 99 -1.989 18.599 -8.318 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.037 19.723 -7.279 1.00 0.00 C ATOM 1524 CD GLU A 99 -0.627 20.275 -7.057 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -0.142 20.978 -7.927 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -0.056 19.985 -6.018 1.00 0.00 O ATOM 0 H GLU A 99 -0.650 17.156 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.482 17.554 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.961 18.431 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.559 18.883 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.701 20.518 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.444 19.347 -6.340 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.860 15.747 -9.420 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.097 14.758 -10.508 1.00 0.00 C ATOM 1535 C GLN A 100 -2.888 13.576 -9.944 1.00 0.00 C ATOM 1536 O GLN A 100 -3.912 13.188 -10.474 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.755 14.264 -11.052 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.304 15.174 -12.197 1.00 0.00 C ATOM 1539 CD GLN A 100 0.071 16.548 -11.638 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -0.813 17.227 -10.960 1.00 0.00 O flip ATOM 1541 NE2 GLN A 100 1.181 17.008 -11.819 1.00 0.00 N flip ATOM 0 H GLN A 100 -0.880 15.925 -9.200 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.661 15.226 -11.315 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.007 14.262 -10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.849 13.237 -11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.550 14.733 -12.711 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.102 15.274 -12.932 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.873 16.478 -12.349 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.421 17.924 -11.441 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.424 13.007 -8.866 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.150 11.859 -8.259 1.00 0.00 C ATOM 1552 C VAL A 101 -4.551 12.311 -7.849 1.00 0.00 C ATOM 1553 O VAL A 101 -5.480 11.530 -7.806 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.388 11.369 -7.028 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.221 10.314 -6.297 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.056 10.755 -7.464 1.00 0.00 C ATOM 0 H VAL A 101 -1.573 13.288 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.226 11.047 -8.983 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.200 12.209 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.677 9.965 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.170 10.751 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.410 9.473 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.512 10.405 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.244 9.915 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.462 11.507 -7.984 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.711 13.572 -7.551 1.00 0.00 N ATOM 1567 CA GLU A 102 -6.054 14.077 -7.148 1.00 0.00 C ATOM 1568 C GLU A 102 -7.020 13.926 -8.323 1.00 0.00 C ATOM 1569 O GLU A 102 -8.151 13.514 -8.161 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.951 15.554 -6.759 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.327 16.068 -6.329 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.263 17.581 -6.116 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.347 18.196 -6.637 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -8.133 18.101 -5.436 1.00 0.00 O ATOM 0 H GLU A 102 -3.971 14.273 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.419 13.504 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.235 15.678 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.580 16.138 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.070 15.828 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.641 15.574 -5.410 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.581 14.252 -9.507 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.472 14.122 -10.693 1.00 0.00 C ATOM 1583 C LYS A 103 -7.837 12.649 -10.884 1.00 0.00 C ATOM 1584 O LYS A 103 -8.979 12.306 -11.116 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.746 14.634 -11.939 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.784 16.163 -11.961 1.00 0.00 C ATOM 1587 CD LYS A 103 -5.458 16.700 -12.505 1.00 0.00 C ATOM 1588 CE LYS A 103 -5.193 16.101 -13.888 1.00 0.00 C ATOM 1589 NZ LYS A 103 -4.714 17.170 -14.808 1.00 0.00 N ATOM 0 H LYS A 103 -5.644 14.603 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.377 14.709 -10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.713 14.285 -11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.218 14.235 -12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.610 16.508 -12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.959 16.547 -10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.493 17.788 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.645 16.446 -11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.449 15.308 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.104 15.649 -14.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.534 16.764 -15.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.438 17.912 -14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.835 17.581 -14.434 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.872 11.775 -10.786 1.00 0.00 N ATOM 1604 CA LEU A 104 -7.162 10.323 -10.961 1.00 0.00 C ATOM 1605 C LEU A 104 -8.066 9.842 -9.823 1.00 0.00 C ATOM 1606 O LEU A 104 -8.834 8.913 -9.977 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.849 9.538 -10.934 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.933 10.037 -12.052 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.509 9.534 -11.810 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.439 9.509 -13.397 1.00 0.00 C ATOM 0 H LEU A 104 -5.897 12.003 -10.593 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.664 10.164 -11.915 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.360 9.660 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.047 8.473 -11.059 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.935 11.127 -12.064 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.857 9.890 -12.607 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.149 9.909 -10.852 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.505 8.444 -11.798 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.787 9.864 -14.196 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.437 8.419 -13.384 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.454 9.868 -13.570 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.980 10.468 -8.680 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.832 10.046 -7.531 1.00 0.00 C ATOM 1624 C VAL A 105 -10.285 10.452 -7.793 1.00 0.00 C ATOM 1625 O VAL A 105 -11.179 9.629 -7.789 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.332 10.727 -6.256 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.477 10.833 -5.246 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.195 9.902 -5.649 1.00 0.00 C ATOM 0 H VAL A 105 -7.357 11.253 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.777 8.964 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.970 11.726 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.118 11.319 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.288 11.421 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.842 9.835 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.838 10.387 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.559 8.903 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.377 9.827 -6.365 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.527 11.715 -8.011 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.920 12.177 -8.264 1.00 0.00 C ATOM 1640 C ASN A 106 -12.466 11.519 -9.535 1.00 0.00 C ATOM 1641 O ASN A 106 -13.538 10.949 -9.537 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.926 13.698 -8.437 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.175 14.345 -7.272 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -10.273 15.133 -7.478 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -11.511 14.043 -6.049 1.00 0.00 N ATOM 0 H ASN A 106 -9.818 12.448 -8.025 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.549 11.899 -7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.456 13.969 -9.382 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.951 14.067 -8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -11.017 14.468 -5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -12.268 13.382 -5.877 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.741 11.597 -10.617 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.225 10.981 -11.886 1.00 0.00 C ATOM 1654 C LEU A 107 -12.546 9.502 -11.654 1.00 0.00 C ATOM 1655 O LEU A 107 -13.574 9.007 -12.072 1.00 0.00 O ATOM 1656 CB LEU A 107 -11.140 11.101 -12.958 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.643 10.486 -14.268 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.839 11.590 -15.308 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.615 9.477 -14.786 1.00 0.00 C ATOM 0 H LEU A 107 -10.834 12.060 -10.678 1.00 0.00 H new ATOM 0 HA LEU A 107 -13.125 11.499 -12.216 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.881 12.148 -13.112 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.233 10.593 -12.630 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.592 9.981 -14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.197 11.153 -16.240 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.570 12.310 -14.941 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.890 12.095 -15.485 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.973 9.039 -15.718 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.666 9.983 -14.963 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.473 8.689 -14.046 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.672 8.791 -10.998 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.924 7.344 -10.748 1.00 0.00 C ATOM 1673 C ALA A 108 -13.215 7.171 -9.943 1.00 0.00 C ATOM 1674 O ALA A 108 -14.084 6.403 -10.305 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.751 6.752 -9.962 1.00 0.00 C ATOM 0 H ALA A 108 -10.793 9.149 -10.624 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.025 6.827 -11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.934 5.693 -9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.832 6.867 -10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.651 7.274 -9.010 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.347 7.874 -8.851 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.581 7.740 -8.025 1.00 0.00 C ATOM 1683 C GLU A 109 -15.792 8.234 -8.821 1.00 0.00 C ATOM 1684 O GLU A 109 -16.918 7.866 -8.546 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.435 8.573 -6.749 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.143 8.183 -6.028 1.00 0.00 C ATOM 1687 CD GLU A 109 -13.464 7.198 -4.903 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -14.396 7.459 -4.160 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -12.771 6.199 -4.801 1.00 0.00 O ATOM 0 H GLU A 109 -12.655 8.534 -8.496 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.726 6.692 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.420 9.635 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.292 8.409 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.443 7.732 -6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.659 9.071 -5.621 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.575 9.065 -9.803 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.718 9.579 -10.609 1.00 0.00 C ATOM 1698 C LYS A 110 -17.148 8.513 -11.618 1.00 0.00 C ATOM 1699 O LYS A 110 -18.277 8.490 -12.068 1.00 0.00 O ATOM 1700 CB LYS A 110 -16.288 10.844 -11.357 1.00 0.00 C ATOM 1701 CG LYS A 110 -17.523 11.678 -11.703 1.00 0.00 C ATOM 1702 CD LYS A 110 -17.148 12.740 -12.739 1.00 0.00 C ATOM 1703 CE LYS A 110 -16.465 13.916 -12.039 1.00 0.00 C ATOM 1704 NZ LYS A 110 -16.384 15.071 -12.977 1.00 0.00 N ATOM 0 H LYS A 110 -14.657 9.410 -10.082 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.552 9.814 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.603 11.428 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.751 10.576 -12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -18.311 11.035 -12.095 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.917 12.154 -10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.482 12.313 -13.489 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -18.040 13.083 -13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.024 14.197 -11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.466 13.628 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -15.920 15.872 -12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.833 14.799 -13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.343 15.350 -13.268 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.258 7.629 -11.976 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.616 6.564 -12.953 1.00 0.00 C ATOM 1720 C PHE A 111 -17.029 5.301 -12.196 1.00 0.00 C ATOM 1721 O PHE A 111 -18.191 4.949 -12.143 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.404 6.255 -13.835 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.433 7.134 -15.061 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.529 7.087 -15.931 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.364 7.997 -15.329 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -16.555 7.902 -17.068 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.390 8.813 -16.466 1.00 0.00 C ATOM 1728 CZ PHE A 111 -15.486 8.765 -17.336 1.00 0.00 C ATOM 0 H PHE A 111 -15.298 7.599 -11.634 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.443 6.903 -13.577 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.483 6.423 -13.277 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.413 5.205 -14.128 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.354 6.422 -15.724 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.519 8.033 -14.658 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -17.400 7.865 -17.739 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.565 9.479 -16.672 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.507 9.394 -18.214 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.086 4.619 -11.606 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.419 3.380 -10.849 1.00 0.00 C ATOM 1740 C ASP A 112 -15.166 2.513 -10.713 1.00 0.00 C ATOM 1741 O ASP A 112 -15.233 1.300 -10.717 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.502 2.599 -11.597 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.867 2.891 -10.969 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.970 2.801 -9.756 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.785 3.199 -11.711 1.00 0.00 O ATOM 0 H ASP A 112 -15.097 4.867 -11.616 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.785 3.648 -9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.507 2.880 -12.650 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.291 1.531 -11.553 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.020 3.127 -10.591 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.762 2.340 -10.450 1.00 0.00 C ATOM 1752 C ILE A 113 -12.029 2.784 -9.184 1.00 0.00 C ATOM 1753 O ILE A 113 -12.369 3.780 -8.576 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.868 2.581 -11.670 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.632 4.083 -11.839 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.552 2.029 -12.922 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -11.174 4.369 -13.271 1.00 0.00 C ATOM 0 H ILE A 113 -13.901 4.140 -10.583 1.00 0.00 H new ATOM 0 HA ILE A 113 -13.000 1.279 -10.381 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.913 2.076 -11.526 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.548 4.633 -11.622 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.879 4.426 -11.130 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.915 2.201 -13.790 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.721 0.959 -12.802 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.507 2.534 -13.067 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -11.006 5.439 -13.392 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.247 3.831 -13.471 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.942 4.041 -13.971 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.025 2.056 -8.779 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.277 2.441 -7.549 1.00 0.00 C ATOM 1771 C ILE A 114 -8.865 2.895 -7.928 1.00 0.00 C ATOM 1772 O ILE A 114 -8.304 2.458 -8.913 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.186 1.238 -6.609 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.013 1.434 -5.647 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -9.967 -0.035 -7.429 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.086 0.393 -4.527 1.00 0.00 C ATOM 0 H ILE A 114 -10.691 1.213 -9.246 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.800 3.257 -7.050 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.112 1.148 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -8.069 1.339 -6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -9.040 2.439 -5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.902 -0.893 -6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.802 -0.173 -8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.041 0.053 -7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.249 0.535 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -10.023 0.509 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.038 -0.608 -4.957 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.285 3.767 -7.148 1.00 0.00 N ATOM 1789 CA TYR A 115 -6.908 4.247 -7.459 1.00 0.00 C ATOM 1790 C TYR A 115 -5.961 3.836 -6.330 1.00 0.00 C ATOM 1791 O TYR A 115 -5.855 4.505 -5.321 1.00 0.00 O ATOM 1792 CB TYR A 115 -6.914 5.773 -7.585 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.515 6.299 -7.377 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.599 6.293 -8.434 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.133 6.794 -6.123 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.301 6.781 -8.241 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -3.835 7.281 -5.929 1.00 0.00 C ATOM 1798 CZ TYR A 115 -2.919 7.275 -6.987 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.639 7.755 -6.796 1.00 0.00 O ATOM 0 H TYR A 115 -8.705 4.168 -6.309 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.573 3.806 -8.398 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.282 6.066 -8.568 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.591 6.207 -6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.893 5.911 -9.400 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -5.840 6.800 -5.306 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.595 6.777 -9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.540 7.662 -4.962 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.539 8.060 -5.870 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.273 2.738 -6.489 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.336 2.287 -5.421 1.00 0.00 C ATOM 1811 C ASP A 116 -3.183 1.500 -6.049 1.00 0.00 C ATOM 1812 O ASP A 116 -3.229 0.291 -6.153 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.086 1.392 -4.431 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.549 1.630 -3.019 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -3.341 1.589 -2.851 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -5.355 1.847 -2.129 1.00 0.00 O ATOM 0 H ASP A 116 -5.319 2.135 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.937 3.156 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.154 1.608 -4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.963 0.345 -4.706 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.147 2.176 -6.466 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.993 1.464 -7.085 1.00 0.00 C ATOM 1823 C GLY A 117 -0.219 2.427 -7.988 1.00 0.00 C ATOM 1824 O GLY A 117 -0.236 2.308 -9.196 1.00 0.00 O ATOM 0 H GLY A 117 -2.050 3.190 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.337 1.071 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.347 0.612 -7.665 1.00 0.00 H new ATOM 1828 N TRP A 118 0.462 3.381 -7.411 1.00 0.00 N ATOM 1829 CA TRP A 118 1.235 4.347 -8.240 1.00 0.00 C ATOM 1830 C TRP A 118 2.729 4.201 -7.937 1.00 0.00 C ATOM 1831 O TRP A 118 3.115 3.684 -6.907 1.00 0.00 O ATOM 1832 CB TRP A 118 0.780 5.774 -7.919 1.00 0.00 C ATOM 1833 CG TRP A 118 1.572 6.313 -6.769 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.261 6.143 -5.463 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.795 7.103 -6.799 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.215 6.780 -4.690 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.182 7.386 -5.468 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.600 7.598 -7.842 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.326 8.133 -5.181 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.751 8.349 -7.557 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.113 8.617 -6.229 1.00 0.00 C ATOM 0 H TRP A 118 0.516 3.532 -6.404 1.00 0.00 H new ATOM 0 HA TRP A 118 1.060 4.141 -9.296 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.910 6.412 -8.793 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.282 5.780 -7.675 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.408 5.599 -5.086 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.205 6.800 -3.670 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.330 7.399 -8.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.601 8.335 -4.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.362 8.723 -8.366 1.00 0.00 H new ATOM 0 HH2 TRP A 118 5.999 9.197 -6.017 1.00 0.00 H new ATOM 1852 N GLY A 119 3.573 4.654 -8.825 1.00 0.00 N ATOM 1853 CA GLY A 119 5.039 4.540 -8.583 1.00 0.00 C ATOM 1854 C GLY A 119 5.795 5.398 -9.599 1.00 0.00 C ATOM 1855 O GLY A 119 5.226 5.898 -10.550 1.00 0.00 O ATOM 0 H GLY A 119 3.311 5.097 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.277 4.864 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.352 3.499 -8.667 1.00 0.00 H new ATOM 1859 N THR A 120 7.073 5.573 -9.407 1.00 0.00 N ATOM 1860 CA THR A 120 7.865 6.398 -10.362 1.00 0.00 C ATOM 1861 C THR A 120 9.193 5.697 -10.660 1.00 0.00 C ATOM 1862 O THR A 120 9.828 5.152 -9.779 1.00 0.00 O ATOM 1863 CB THR A 120 8.138 7.773 -9.747 1.00 0.00 C ATOM 1864 OG1 THR A 120 8.976 8.522 -10.617 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.827 7.603 -8.393 1.00 0.00 C ATOM 0 H THR A 120 7.604 5.180 -8.630 1.00 0.00 H new ATOM 0 HA THR A 120 7.304 6.522 -11.288 1.00 0.00 H new ATOM 0 HB THR A 120 7.195 8.301 -9.607 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.150 9.403 -10.225 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.020 8.583 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.182 7.030 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.770 7.074 -8.529 1.00 0.00 H new ATOM 1873 N TYR A 121 9.614 5.702 -11.895 1.00 0.00 N ATOM 1874 CA TYR A 121 10.897 5.031 -12.249 1.00 0.00 C ATOM 1875 C TYR A 121 12.052 6.026 -12.118 1.00 0.00 C ATOM 1876 O TYR A 121 11.889 7.213 -12.322 1.00 0.00 O ATOM 1877 CB TYR A 121 10.824 4.522 -13.689 1.00 0.00 C ATOM 1878 CG TYR A 121 10.478 3.053 -13.687 1.00 0.00 C ATOM 1879 CD1 TYR A 121 9.166 2.644 -13.423 1.00 0.00 C ATOM 1880 CD2 TYR A 121 11.470 2.100 -13.949 1.00 0.00 C ATOM 1881 CE1 TYR A 121 8.845 1.282 -13.419 1.00 0.00 C ATOM 1882 CE2 TYR A 121 11.148 0.737 -13.945 1.00 0.00 C ATOM 1883 CZ TYR A 121 9.835 0.328 -13.681 1.00 0.00 C ATOM 1884 OH TYR A 121 9.518 -1.015 -13.676 1.00 0.00 O ATOM 0 H TYR A 121 9.125 6.142 -12.675 1.00 0.00 H new ATOM 0 HA TYR A 121 11.065 4.192 -11.573 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.073 5.082 -14.246 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.778 4.681 -14.191 1.00 0.00 H new ATOM 0 HD1 TYR A 121 8.401 3.380 -13.222 1.00 0.00 H new ATOM 0 HD2 TYR A 121 12.482 2.416 -14.154 1.00 0.00 H new ATOM 0 HE1 TYR A 121 7.833 0.967 -13.214 1.00 0.00 H new ATOM 0 HE2 TYR A 121 11.913 0.001 -14.146 1.00 0.00 H new ATOM 0 HH TYR A 121 10.320 -1.541 -13.878 1.00 0.00 H new