USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 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 42 SER OG : rot -12:sc= 0.658 USER MOD Set 1.2: A 80 SER OG : rot -30:sc= 0.637 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 16 THR OG1 : rot 62:sc= 1.04 USER MOD Single : A 20 GLN : amide:sc= 0.554 K(o=0.55,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 130:sc= 1.27 USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= 1.23 (180deg=1.18) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.723 X(o=-0.72,f=-0.64) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.34 F(o=-4!,f=-1.3) USER MOD Single : A 79 GLN : amide:sc= 0.783 K(o=0.78,f=-0.39) USER MOD Single : A 88 ASN :FLIP amide:sc=-0.00396 F(o=-1.2,f=-0.004) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 99 THR OG1 : rot -170:sc= -3.38! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -120:sc= 0.265 USER MOD Single : A 111 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 162:sc= -0.155 (180deg=-0.624) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 14.956 1.984 6.541 1.00 0.00 N ATOM 126 CA LEU A 10 13.628 1.433 6.280 1.00 0.00 C ATOM 127 C LEU A 10 13.618 0.632 4.980 1.00 0.00 C ATOM 128 O LEU A 10 13.207 -0.526 4.963 1.00 0.00 O ATOM 129 CB LEU A 10 12.582 2.549 6.218 1.00 0.00 C ATOM 130 CG LEU A 10 12.317 3.266 7.542 1.00 0.00 C ATOM 131 CD1 LEU A 10 11.332 4.405 7.337 1.00 0.00 C ATOM 132 CD2 LEU A 10 11.789 2.287 8.583 1.00 0.00 C ATOM 0 HA LEU A 10 13.376 0.763 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.903 3.286 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.644 2.127 5.858 1.00 0.00 H new ATOM 0 HG LEU A 10 13.257 3.681 7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.153 4.907 8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.744 5.118 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.392 4.009 6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.606 2.815 9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.858 1.845 8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.525 1.500 8.748 1.00 0.00 H new ATOM 144 N TRP A 11 14.104 1.245 3.902 1.00 0.00 N ATOM 145 CA TRP A 11 14.168 0.576 2.605 1.00 0.00 C ATOM 146 C TRP A 11 15.087 -0.640 2.658 1.00 0.00 C ATOM 147 O TRP A 11 14.814 -1.662 2.030 1.00 0.00 O ATOM 148 CB TRP A 11 14.648 1.541 1.513 1.00 0.00 C ATOM 149 CG TRP A 11 13.534 2.160 0.720 1.00 0.00 C ATOM 150 CD1 TRP A 11 13.371 3.485 0.425 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.426 1.476 0.116 1.00 0.00 C ATOM 152 NE1 TRP A 11 12.241 3.661 -0.340 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.645 2.443 -0.541 1.00 0.00 C ATOM 154 CE3 TRP A 11 12.025 0.138 0.061 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.488 2.114 -1.242 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.874 -0.185 -0.633 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.120 0.799 -1.276 1.00 0.00 C ATOM 0 H TRP A 11 14.458 2.201 3.901 1.00 0.00 H new ATOM 0 HA TRP A 11 13.160 0.241 2.361 1.00 0.00 H new ATOM 0 HB2 TRP A 11 15.237 2.334 1.975 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.311 1.005 0.834 1.00 0.00 H new ATOM 0 HD1 TRP A 11 14.032 4.277 0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.902 4.553 -0.699 1.00 0.00 H new ATOM 0 HE3 TRP A 11 12.604 -0.630 0.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.902 2.872 -1.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.553 -1.215 -0.679 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.227 0.514 -1.812 1.00 0.00 H new ATOM 168 N GLN A 12 16.164 -0.529 3.426 1.00 0.00 N ATOM 169 CA GLN A 12 17.126 -1.619 3.564 1.00 0.00 C ATOM 170 C GLN A 12 16.451 -2.849 4.171 1.00 0.00 C ATOM 171 O GLN A 12 16.702 -3.979 3.749 1.00 0.00 O ATOM 172 CB GLN A 12 18.312 -1.171 4.426 1.00 0.00 C ATOM 173 CG GLN A 12 19.461 -2.162 4.452 1.00 0.00 C ATOM 174 CD GLN A 12 20.685 -1.615 5.160 1.00 0.00 C ATOM 175 OE1 GLN A 12 20.847 -1.781 6.367 1.00 0.00 O ATOM 176 NE2 GLN A 12 21.547 -0.939 4.416 1.00 0.00 N ATOM 0 H GLN A 12 16.395 0.306 3.964 1.00 0.00 H new ATOM 0 HA GLN A 12 17.499 -1.886 2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.678 -0.214 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.965 -1.005 5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.136 -3.076 4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.727 -2.432 3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 12 21.377 -0.823 3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 12 22.381 -0.534 4.842 1.00 0.00 H new ATOM 185 N ARG A 13 15.577 -2.616 5.144 1.00 0.00 N ATOM 186 CA ARG A 13 14.814 -3.695 5.764 1.00 0.00 C ATOM 187 C ARG A 13 13.765 -4.247 4.803 1.00 0.00 C ATOM 188 O ARG A 13 13.532 -5.454 4.753 1.00 0.00 O ATOM 189 CB ARG A 13 14.133 -3.207 7.048 1.00 0.00 C ATOM 190 CG ARG A 13 14.938 -3.426 8.325 1.00 0.00 C ATOM 191 CD ARG A 13 16.276 -2.704 8.306 1.00 0.00 C ATOM 192 NE ARG A 13 17.392 -3.608 8.024 1.00 0.00 N ATOM 193 CZ ARG A 13 18.672 -3.305 8.250 1.00 0.00 C ATOM 194 NH1 ARG A 13 18.993 -2.103 8.719 1.00 0.00 N ATOM 195 NH2 ARG A 13 19.626 -4.204 8.007 1.00 0.00 N ATOM 0 H ARG A 13 15.379 -1.689 5.521 1.00 0.00 H new ATOM 0 HA ARG A 13 15.513 -4.494 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.921 -2.143 6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.174 -3.715 7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.356 -3.082 9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.108 -4.494 8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.250 -1.916 7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.438 -2.219 9.269 1.00 0.00 H new ATOM 0 HE ARG A 13 17.179 -4.525 7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.262 -1.416 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.970 -1.868 8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.378 -5.126 7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.603 -3.970 8.181 1.00 0.00 H new ATOM 209 N LEU A 14 13.144 -3.361 4.031 1.00 0.00 N ATOM 210 CA LEU A 14 12.083 -3.762 3.110 1.00 0.00 C ATOM 211 C LEU A 14 12.630 -4.647 1.990 1.00 0.00 C ATOM 212 O LEU A 14 12.141 -5.755 1.770 1.00 0.00 O ATOM 213 CB LEU A 14 11.379 -2.531 2.528 1.00 0.00 C ATOM 214 CG LEU A 14 10.700 -1.622 3.558 1.00 0.00 C ATOM 215 CD1 LEU A 14 9.969 -0.483 2.867 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.738 -2.417 4.429 1.00 0.00 C ATOM 0 H LEU A 14 13.355 -2.363 4.024 1.00 0.00 H new ATOM 0 HA LEU A 14 11.353 -4.344 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.110 -1.943 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.629 -2.866 1.812 1.00 0.00 H new ATOM 0 HG LEU A 14 11.474 -1.199 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.493 0.151 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.680 0.108 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.209 -0.890 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.268 -1.751 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.971 -2.872 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.286 -3.198 4.957 1.00 0.00 H new ATOM 228 N LEU A 15 13.670 -4.168 1.311 1.00 0.00 N ATOM 229 CA LEU A 15 14.311 -4.929 0.235 1.00 0.00 C ATOM 230 C LEU A 15 14.754 -6.311 0.702 1.00 0.00 C ATOM 231 O LEU A 15 14.903 -7.228 -0.107 1.00 0.00 O ATOM 232 CB LEU A 15 15.506 -4.165 -0.347 1.00 0.00 C ATOM 233 CG LEU A 15 15.179 -3.230 -1.516 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.320 -2.063 -1.063 1.00 0.00 C ATOM 235 CD2 LEU A 15 16.454 -2.733 -2.172 1.00 0.00 C ATOM 0 H LEU A 15 14.089 -3.255 1.486 1.00 0.00 H new ATOM 0 HA LEU A 15 13.563 -5.060 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.964 -3.578 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.251 -4.888 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 15 14.609 -3.798 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.105 -1.418 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.385 -2.439 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.852 -1.493 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.203 -2.070 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.051 -2.189 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.025 -3.582 -2.547 1.00 0.00 H new ATOM 247 N THR A 16 14.981 -6.448 2.003 1.00 0.00 N ATOM 248 CA THR A 16 15.385 -7.721 2.576 1.00 0.00 C ATOM 249 C THR A 16 14.348 -8.816 2.292 1.00 0.00 C ATOM 250 O THR A 16 14.713 -9.934 1.920 1.00 0.00 O ATOM 251 CB THR A 16 15.605 -7.606 4.098 1.00 0.00 C ATOM 252 OG1 THR A 16 16.601 -6.613 4.378 1.00 0.00 O ATOM 253 CG2 THR A 16 16.043 -8.938 4.691 1.00 0.00 C ATOM 0 H THR A 16 14.891 -5.690 2.680 1.00 0.00 H new ATOM 0 HA THR A 16 16.327 -7.996 2.102 1.00 0.00 H new ATOM 0 HB THR A 16 14.657 -7.316 4.552 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.292 -5.740 4.058 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.191 -8.827 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.275 -9.689 4.506 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.978 -9.253 4.227 1.00 0.00 H new ATOM 261 N ARG A 17 13.058 -8.499 2.443 1.00 0.00 N ATOM 262 CA ARG A 17 12.018 -9.506 2.240 1.00 0.00 C ATOM 263 C ARG A 17 10.620 -8.893 2.144 1.00 0.00 C ATOM 264 O ARG A 17 9.861 -9.208 1.228 1.00 0.00 O ATOM 265 CB ARG A 17 12.048 -10.536 3.376 1.00 0.00 C ATOM 266 CG ARG A 17 11.445 -11.870 2.985 1.00 0.00 C ATOM 267 CD ARG A 17 12.256 -12.519 1.871 1.00 0.00 C ATOM 268 NE ARG A 17 11.649 -13.756 1.383 1.00 0.00 N ATOM 269 CZ ARG A 17 12.044 -14.388 0.274 1.00 0.00 C ATOM 270 NH1 ARG A 17 13.050 -13.908 -0.446 1.00 0.00 N ATOM 271 NH2 ARG A 17 11.426 -15.498 -0.121 1.00 0.00 N ATOM 0 H ARG A 17 12.716 -7.573 2.700 1.00 0.00 H new ATOM 0 HA ARG A 17 12.231 -9.993 1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.080 -10.689 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.507 -10.137 4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.415 -12.530 3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.415 -11.728 2.657 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.357 -11.817 1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.262 -12.730 2.234 1.00 0.00 H new ATOM 0 HE ARG A 17 10.881 -14.159 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.525 -13.054 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.349 -14.393 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.648 -15.870 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.731 -15.977 -0.968 1.00 0.00 H new ATOM 285 N GLY A 18 10.279 -8.026 3.089 1.00 0.00 N ATOM 286 CA GLY A 18 8.921 -7.512 3.158 1.00 0.00 C ATOM 287 C GLY A 18 8.764 -6.163 2.486 1.00 0.00 C ATOM 288 O GLY A 18 9.558 -5.261 2.727 1.00 0.00 O ATOM 0 H GLY A 18 10.912 -7.670 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.244 -8.226 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.623 -7.428 4.203 1.00 0.00 H new ATOM 292 N TRP A 19 7.717 -6.038 1.663 1.00 0.00 N ATOM 293 CA TRP A 19 7.426 -4.816 0.902 1.00 0.00 C ATOM 294 C TRP A 19 8.400 -4.643 -0.258 1.00 0.00 C ATOM 295 O TRP A 19 9.605 -4.483 -0.074 1.00 0.00 O ATOM 296 CB TRP A 19 7.437 -3.566 1.788 1.00 0.00 C ATOM 297 CG TRP A 19 6.273 -3.478 2.734 1.00 0.00 C ATOM 298 CD1 TRP A 19 5.912 -4.384 3.690 1.00 0.00 C ATOM 299 CD2 TRP A 19 5.324 -2.405 2.820 1.00 0.00 C ATOM 300 NE1 TRP A 19 4.789 -3.950 4.351 1.00 0.00 N ATOM 301 CE2 TRP A 19 4.411 -2.735 3.838 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.156 -1.199 2.130 1.00 0.00 C ATOM 303 CZ2 TRP A 19 3.349 -1.902 4.185 1.00 0.00 C ATOM 304 CZ3 TRP A 19 4.101 -0.373 2.475 1.00 0.00 C ATOM 305 CH2 TRP A 19 3.209 -0.728 3.495 1.00 0.00 C ATOM 0 H TRP A 19 7.043 -6.787 1.505 1.00 0.00 H new ATOM 0 HA TRP A 19 6.419 -4.932 0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.362 -3.549 2.364 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.442 -2.682 1.151 1.00 0.00 H new ATOM 0 HD1 TRP A 19 6.433 -5.307 3.896 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.313 -4.450 5.102 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.838 -0.918 1.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 2.660 -2.173 4.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.963 0.560 1.949 1.00 0.00 H new ATOM 0 HH2 TRP A 19 2.395 -0.063 3.742 1.00 0.00 H new ATOM 316 N GLN A 20 7.857 -4.664 -1.459 1.00 0.00 N ATOM 317 CA GLN A 20 8.661 -4.566 -2.666 1.00 0.00 C ATOM 318 C GLN A 20 8.354 -3.265 -3.400 1.00 0.00 C ATOM 319 O GLN A 20 7.193 -2.879 -3.523 1.00 0.00 O ATOM 320 CB GLN A 20 8.368 -5.745 -3.594 1.00 0.00 C ATOM 321 CG GLN A 20 9.348 -5.875 -4.749 1.00 0.00 C ATOM 322 CD GLN A 20 8.696 -6.402 -6.009 1.00 0.00 C ATOM 323 OE1 GLN A 20 8.595 -7.611 -6.215 1.00 0.00 O ATOM 324 NE2 GLN A 20 8.272 -5.495 -6.876 1.00 0.00 N ATOM 0 H GLN A 20 6.855 -4.749 -1.628 1.00 0.00 H new ATOM 0 HA GLN A 20 9.712 -4.582 -2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.383 -6.666 -3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.360 -5.638 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.793 -4.901 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.160 -6.542 -4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.375 -4.502 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.843 -5.789 -7.753 1.00 0.00 H new ATOM 333 N PRO A 21 9.385 -2.559 -3.878 1.00 0.00 N ATOM 334 CA PRO A 21 9.198 -1.399 -4.744 1.00 0.00 C ATOM 335 C PRO A 21 8.789 -1.828 -6.148 1.00 0.00 C ATOM 336 O PRO A 21 9.359 -2.768 -6.707 1.00 0.00 O ATOM 337 CB PRO A 21 10.575 -0.717 -4.761 1.00 0.00 C ATOM 338 CG PRO A 21 11.399 -1.433 -3.738 1.00 0.00 C ATOM 339 CD PRO A 21 10.803 -2.803 -3.596 1.00 0.00 C ATOM 0 HA PRO A 21 8.408 -0.738 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.032 -0.785 -5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.489 0.343 -4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.441 -1.494 -4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.383 -0.902 -2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.241 -3.512 -4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.954 -3.211 -2.596 1.00 0.00 H new ATOM 347 N VAL A 22 7.788 -1.166 -6.705 1.00 0.00 N ATOM 348 CA VAL A 22 7.304 -1.500 -8.038 1.00 0.00 C ATOM 349 C VAL A 22 7.894 -0.578 -9.097 1.00 0.00 C ATOM 350 O VAL A 22 8.695 0.307 -8.795 1.00 0.00 O ATOM 351 CB VAL A 22 5.765 -1.459 -8.127 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.173 -2.788 -7.697 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.199 -0.323 -7.284 1.00 0.00 C ATOM 0 H VAL A 22 7.294 -0.394 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 22 7.634 -2.521 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 22 5.491 -1.277 -9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.086 -2.742 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.544 -3.579 -8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.463 -2.999 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.112 -0.317 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.485 -0.466 -6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.595 0.628 -7.642 1.00 0.00 H new ATOM 363 N GLU A 23 7.472 -0.789 -10.338 1.00 0.00 N ATOM 364 CA GLU A 23 8.024 -0.065 -11.480 1.00 0.00 C ATOM 365 C GLU A 23 6.902 0.307 -12.435 1.00 0.00 C ATOM 366 O GLU A 23 5.816 -0.250 -12.349 1.00 0.00 O ATOM 367 CB GLU A 23 9.063 -0.919 -12.214 1.00 0.00 C ATOM 368 CG GLU A 23 10.196 -1.411 -11.330 1.00 0.00 C ATOM 369 CD GLU A 23 11.221 -2.221 -12.099 1.00 0.00 C ATOM 370 OE1 GLU A 23 10.822 -3.079 -12.913 1.00 0.00 O ATOM 371 OE2 GLU A 23 12.433 -2.005 -11.898 1.00 0.00 O ATOM 0 H GLU A 23 6.744 -1.461 -10.582 1.00 0.00 H new ATOM 0 HA GLU A 23 8.514 0.838 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.562 -1.780 -12.658 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.483 -0.337 -13.034 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.687 -0.556 -10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.786 -2.020 -10.524 1.00 0.00 H new ATOM 378 N ALA A 24 7.167 1.221 -13.354 1.00 0.00 N ATOM 379 CA ALA A 24 6.136 1.706 -14.262 1.00 0.00 C ATOM 380 C ALA A 24 5.898 0.724 -15.396 1.00 0.00 C ATOM 381 O ALA A 24 4.759 0.395 -15.721 1.00 0.00 O ATOM 382 CB ALA A 24 6.522 3.064 -14.819 1.00 0.00 C ATOM 0 H ALA A 24 8.085 1.643 -13.492 1.00 0.00 H new ATOM 0 HA ALA A 24 5.209 1.803 -13.697 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.743 3.414 -15.496 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.637 3.774 -14.000 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.463 2.980 -15.362 1.00 0.00 H new ATOM 388 N SER A 25 6.978 0.245 -15.986 1.00 0.00 N ATOM 389 CA SER A 25 6.889 -0.662 -17.119 1.00 0.00 C ATOM 390 C SER A 25 6.582 -2.086 -16.653 1.00 0.00 C ATOM 391 O SER A 25 6.185 -2.942 -17.445 1.00 0.00 O ATOM 392 CB SER A 25 8.202 -0.630 -17.899 1.00 0.00 C ATOM 393 OG SER A 25 8.576 0.706 -18.201 1.00 0.00 O ATOM 0 H SER A 25 7.931 0.469 -15.699 1.00 0.00 H new ATOM 0 HA SER A 25 6.075 -0.338 -17.767 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.988 -1.110 -17.316 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.096 -1.200 -18.822 1.00 0.00 H new ATOM 0 HG SER A 25 9.420 0.705 -18.699 1.00 0.00 H new ATOM 399 N THR A 26 6.755 -2.332 -15.363 1.00 0.00 N ATOM 400 CA THR A 26 6.567 -3.668 -14.815 1.00 0.00 C ATOM 401 C THR A 26 5.261 -3.780 -14.022 1.00 0.00 C ATOM 402 O THR A 26 4.744 -4.878 -13.830 1.00 0.00 O ATOM 403 CB THR A 26 7.763 -4.060 -13.919 1.00 0.00 C ATOM 404 OG1 THR A 26 8.989 -3.763 -14.597 1.00 0.00 O ATOM 405 CG2 THR A 26 7.733 -5.541 -13.566 1.00 0.00 C ATOM 0 H THR A 26 7.025 -1.627 -14.677 1.00 0.00 H new ATOM 0 HA THR A 26 6.508 -4.358 -15.657 1.00 0.00 H new ATOM 0 HB THR A 26 7.693 -3.485 -12.996 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.578 -3.254 -14.001 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.588 -5.782 -12.935 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.811 -5.769 -13.030 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.778 -6.134 -14.480 1.00 0.00 H new ATOM 413 N VAL A 27 4.708 -2.649 -13.585 1.00 0.00 N ATOM 414 CA VAL A 27 3.487 -2.671 -12.778 1.00 0.00 C ATOM 415 C VAL A 27 2.333 -3.306 -13.549 1.00 0.00 C ATOM 416 O VAL A 27 1.532 -4.039 -12.981 1.00 0.00 O ATOM 417 CB VAL A 27 3.083 -1.255 -12.292 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.719 -0.341 -13.457 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.944 -1.332 -11.289 1.00 0.00 C ATOM 0 H VAL A 27 5.079 -1.718 -13.772 1.00 0.00 H new ATOM 0 HA VAL A 27 3.703 -3.277 -11.898 1.00 0.00 H new ATOM 0 HB VAL A 27 3.950 -0.821 -11.795 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.442 0.642 -13.076 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.576 -0.243 -14.124 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.879 -0.768 -14.005 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.678 -0.327 -10.962 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.079 -1.802 -11.756 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.257 -1.922 -10.428 1.00 0.00 H new ATOM 429 N ASP A 28 2.300 -3.067 -14.852 1.00 0.00 N ATOM 430 CA ASP A 28 1.209 -3.547 -15.696 1.00 0.00 C ATOM 431 C ASP A 28 1.209 -5.072 -15.756 1.00 0.00 C ATOM 432 O ASP A 28 0.161 -5.707 -15.866 1.00 0.00 O ATOM 433 CB ASP A 28 1.345 -2.955 -17.103 1.00 0.00 C ATOM 434 CG ASP A 28 0.135 -3.215 -17.979 1.00 0.00 C ATOM 435 OD1 ASP A 28 -0.799 -2.384 -17.969 1.00 0.00 O ATOM 436 OD2 ASP A 28 0.123 -4.230 -18.702 1.00 0.00 O ATOM 0 H ASP A 28 3.018 -2.542 -15.352 1.00 0.00 H new ATOM 0 HA ASP A 28 0.261 -3.225 -15.265 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.504 -1.880 -17.024 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.230 -3.374 -17.583 1.00 0.00 H new ATOM 441 N ASP A 29 2.398 -5.649 -15.661 1.00 0.00 N ATOM 442 CA ASP A 29 2.557 -7.097 -15.675 1.00 0.00 C ATOM 443 C ASP A 29 2.387 -7.662 -14.269 1.00 0.00 C ATOM 444 O ASP A 29 1.805 -8.734 -14.074 1.00 0.00 O ATOM 445 CB ASP A 29 3.931 -7.467 -16.235 1.00 0.00 C ATOM 446 CG ASP A 29 4.127 -8.961 -16.384 1.00 0.00 C ATOM 447 OD1 ASP A 29 3.521 -9.554 -17.303 1.00 0.00 O ATOM 448 OD2 ASP A 29 4.913 -9.540 -15.608 1.00 0.00 O ATOM 0 H ASP A 29 3.273 -5.133 -15.573 1.00 0.00 H new ATOM 0 HA ASP A 29 1.789 -7.529 -16.316 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.061 -6.990 -17.207 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.704 -7.069 -15.578 1.00 0.00 H new ATOM 453 N TRP A 30 2.879 -6.905 -13.295 1.00 0.00 N ATOM 454 CA TRP A 30 2.801 -7.275 -11.884 1.00 0.00 C ATOM 455 C TRP A 30 1.345 -7.470 -11.458 1.00 0.00 C ATOM 456 O TRP A 30 1.019 -8.421 -10.745 1.00 0.00 O ATOM 457 CB TRP A 30 3.462 -6.172 -11.041 1.00 0.00 C ATOM 458 CG TRP A 30 3.721 -6.546 -9.610 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.798 -7.232 -9.128 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.901 -6.239 -8.476 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.699 -7.370 -7.765 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.542 -6.772 -7.341 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.689 -5.565 -8.309 1.00 0.00 C ATOM 464 CZ2 TRP A 30 3.007 -6.653 -6.060 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.161 -5.450 -7.038 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.820 -5.989 -5.929 1.00 0.00 C ATOM 0 H TRP A 30 3.345 -6.013 -13.461 1.00 0.00 H new ATOM 0 HA TRP A 30 3.325 -8.218 -11.728 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.408 -5.895 -11.507 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.826 -5.287 -11.062 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.610 -7.611 -9.731 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.377 -7.841 -7.166 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.174 -5.141 -9.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.512 -7.071 -5.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.222 -4.935 -6.898 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.382 -5.878 -4.948 1.00 0.00 H new ATOM 477 N ILE A 31 0.480 -6.574 -11.932 1.00 0.00 N ATOM 478 CA ILE A 31 -0.946 -6.592 -11.595 1.00 0.00 C ATOM 479 C ILE A 31 -1.568 -7.949 -11.907 1.00 0.00 C ATOM 480 O ILE A 31 -2.228 -8.547 -11.060 1.00 0.00 O ATOM 481 CB ILE A 31 -1.720 -5.492 -12.365 1.00 0.00 C ATOM 482 CG1 ILE A 31 -1.223 -4.104 -11.962 1.00 0.00 C ATOM 483 CG2 ILE A 31 -3.216 -5.606 -12.112 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.752 -2.991 -12.842 1.00 0.00 C ATOM 0 H ILE A 31 0.746 -5.815 -12.560 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.022 -6.399 -10.525 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.538 -5.634 -13.430 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.514 -3.909 -10.930 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.134 -4.094 -11.994 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.739 -4.824 -12.663 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.568 -6.582 -12.446 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.414 -5.494 -11.046 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.357 -2.035 -12.497 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.439 -3.162 -13.872 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.841 -2.974 -12.792 1.00 0.00 H new ATOM 496 N LYS A 32 -1.344 -8.426 -13.126 1.00 0.00 N ATOM 497 CA LYS A 32 -1.863 -9.720 -13.553 1.00 0.00 C ATOM 498 C LYS A 32 -1.318 -10.830 -12.679 1.00 0.00 C ATOM 499 O LYS A 32 -2.066 -11.587 -12.066 1.00 0.00 O ATOM 500 CB LYS A 32 -1.433 -10.030 -14.979 1.00 0.00 C ATOM 501 CG LYS A 32 -1.826 -9.010 -16.019 1.00 0.00 C ATOM 502 CD LYS A 32 -1.161 -9.373 -17.328 1.00 0.00 C ATOM 503 CE LYS A 32 0.335 -9.109 -17.280 1.00 0.00 C ATOM 504 NZ LYS A 32 1.085 -9.899 -18.292 1.00 0.00 N ATOM 0 H LYS A 32 -0.805 -7.934 -13.838 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.949 -9.666 -13.480 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.349 -10.139 -14.996 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.855 -10.994 -15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.909 -8.990 -16.138 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.521 -8.012 -15.704 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.340 -10.425 -17.549 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.608 -8.796 -18.138 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.519 -8.047 -17.444 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.711 -9.348 -16.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.057 -10.057 -17.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.614 -10.815 -18.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.109 -9.378 -19.192 1.00 0.00 H new ATOM 518 N ARG A 33 0.004 -10.907 -12.657 1.00 0.00 N ATOM 519 CA ARG A 33 0.719 -12.011 -12.017 1.00 0.00 C ATOM 520 C ARG A 33 0.291 -12.221 -10.568 1.00 0.00 C ATOM 521 O ARG A 33 0.045 -13.351 -10.141 1.00 0.00 O ATOM 522 CB ARG A 33 2.215 -11.742 -12.034 1.00 0.00 C ATOM 523 CG ARG A 33 3.055 -13.002 -11.904 1.00 0.00 C ATOM 524 CD ARG A 33 4.500 -12.673 -11.580 1.00 0.00 C ATOM 525 NE ARG A 33 5.341 -13.867 -11.570 1.00 0.00 N ATOM 526 CZ ARG A 33 5.587 -14.605 -10.488 1.00 0.00 C ATOM 527 NH1 ARG A 33 4.975 -14.354 -9.337 1.00 0.00 N ATOM 528 NH2 ARG A 33 6.416 -15.632 -10.568 1.00 0.00 N ATOM 0 H ARG A 33 0.615 -10.209 -13.081 1.00 0.00 H new ATOM 0 HA ARG A 33 0.476 -12.910 -12.584 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.475 -11.235 -12.963 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.464 -11.062 -11.219 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.641 -13.638 -11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.009 -13.569 -12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.884 -11.964 -12.314 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.552 -12.184 -10.607 1.00 0.00 H new ATOM 0 HE ARG A 33 5.769 -14.155 -12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.306 -13.587 -9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.174 -14.928 -8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.865 -15.857 -11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.607 -16.199 -9.742 1.00 0.00 H new ATOM 542 N VAL A 34 0.213 -11.139 -9.813 1.00 0.00 N ATOM 543 CA VAL A 34 -0.153 -11.242 -8.404 1.00 0.00 C ATOM 544 C VAL A 34 -1.666 -11.298 -8.235 1.00 0.00 C ATOM 545 O VAL A 34 -2.172 -11.920 -7.301 1.00 0.00 O ATOM 546 CB VAL A 34 0.422 -10.083 -7.557 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.937 -10.025 -7.688 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.206 -8.750 -7.941 1.00 0.00 C ATOM 0 H VAL A 34 0.394 -10.191 -10.142 1.00 0.00 H new ATOM 0 HA VAL A 34 0.286 -12.171 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 34 0.173 -10.276 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.323 -9.203 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.368 -10.964 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.206 -9.866 -8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.220 -7.957 -7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.005 -8.543 -8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.283 -8.795 -7.779 1.00 0.00 H new ATOM 558 N GLY A 35 -2.379 -10.637 -9.136 1.00 0.00 N ATOM 559 CA GLY A 35 -3.825 -10.632 -9.098 1.00 0.00 C ATOM 560 C GLY A 35 -4.366 -9.677 -8.059 1.00 0.00 C ATOM 561 O GLY A 35 -5.188 -8.814 -8.357 1.00 0.00 O ATOM 0 H GLY A 35 -1.974 -10.098 -9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.211 -10.356 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.185 -11.639 -8.886 1.00 0.00 H new ATOM 565 N ASP A 36 -3.889 -9.828 -6.840 1.00 0.00 N ATOM 566 CA ASP A 36 -4.376 -9.046 -5.726 1.00 0.00 C ATOM 567 C ASP A 36 -3.213 -8.357 -5.022 1.00 0.00 C ATOM 568 O ASP A 36 -2.251 -9.005 -4.605 1.00 0.00 O ATOM 569 CB ASP A 36 -5.131 -9.947 -4.744 1.00 0.00 C ATOM 570 CG ASP A 36 -6.185 -10.808 -5.423 1.00 0.00 C ATOM 571 OD1 ASP A 36 -7.211 -10.265 -5.887 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.984 -12.038 -5.509 1.00 0.00 O ATOM 0 H ASP A 36 -3.156 -10.494 -6.596 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.059 -8.284 -6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.419 -10.592 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.609 -9.328 -3.984 1.00 0.00 H new ATOM 577 N GLY A 37 -3.296 -7.044 -4.908 1.00 0.00 N ATOM 578 CA GLY A 37 -2.249 -6.277 -4.273 1.00 0.00 C ATOM 579 C GLY A 37 -2.517 -4.788 -4.353 1.00 0.00 C ATOM 580 O GLY A 37 -3.562 -4.373 -4.852 1.00 0.00 O ATOM 0 H GLY A 37 -4.081 -6.489 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.162 -6.575 -3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.294 -6.501 -4.749 1.00 0.00 H new ATOM 584 N VAL A 38 -1.586 -3.984 -3.862 1.00 0.00 N ATOM 585 CA VAL A 38 -1.740 -2.533 -3.884 1.00 0.00 C ATOM 586 C VAL A 38 -0.423 -1.843 -4.230 1.00 0.00 C ATOM 587 O VAL A 38 0.645 -2.266 -3.788 1.00 0.00 O ATOM 588 CB VAL A 38 -2.259 -1.976 -2.530 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.715 -2.354 -2.302 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.397 -2.463 -1.373 1.00 0.00 C ATOM 0 H VAL A 38 -0.715 -4.310 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.480 -2.319 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.192 -0.889 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.050 -1.950 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.328 -1.943 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.812 -3.440 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.782 -2.058 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.421 -3.552 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.370 -2.127 -1.518 1.00 0.00 H new ATOM 600 N ILE A 39 -0.509 -0.797 -5.043 1.00 0.00 N ATOM 601 CA ILE A 39 0.648 0.031 -5.359 1.00 0.00 C ATOM 602 C ILE A 39 0.509 1.383 -4.662 1.00 0.00 C ATOM 603 O ILE A 39 -0.460 2.113 -4.895 1.00 0.00 O ATOM 604 CB ILE A 39 0.820 0.269 -6.891 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.334 -0.982 -7.628 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.764 1.439 -7.152 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.330 -2.111 -7.730 1.00 0.00 C ATOM 0 H ILE A 39 -1.373 -0.501 -5.497 1.00 0.00 H new ATOM 0 HA ILE A 39 1.530 -0.504 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.170 0.502 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.641 -0.695 -8.634 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.223 -1.349 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.870 1.588 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.357 2.343 -6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.740 1.223 -6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.778 -2.949 -8.264 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.040 -2.431 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.551 -1.766 -8.271 1.00 0.00 H new ATOM 619 N LEU A 40 1.452 1.698 -3.789 1.00 0.00 N ATOM 620 CA LEU A 40 1.485 3.006 -3.156 1.00 0.00 C ATOM 621 C LEU A 40 2.351 3.959 -3.970 1.00 0.00 C ATOM 622 O LEU A 40 3.512 3.656 -4.268 1.00 0.00 O ATOM 623 CB LEU A 40 2.036 2.936 -1.724 1.00 0.00 C ATOM 624 CG LEU A 40 1.130 2.278 -0.680 1.00 0.00 C ATOM 625 CD1 LEU A 40 1.274 0.767 -0.702 1.00 0.00 C ATOM 626 CD2 LEU A 40 1.446 2.824 0.704 1.00 0.00 C ATOM 0 H LEU A 40 2.202 1.068 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 40 0.458 3.369 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.981 2.394 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.259 3.950 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 40 0.096 2.517 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.618 0.328 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.000 0.390 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.307 0.497 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.796 2.350 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.487 2.613 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.282 3.901 0.716 1.00 0.00 H new ATOM 638 N LEU A 41 1.786 5.097 -4.350 1.00 0.00 N ATOM 639 CA LEU A 41 2.554 6.139 -5.015 1.00 0.00 C ATOM 640 C LEU A 41 3.303 6.954 -3.973 1.00 0.00 C ATOM 641 O LEU A 41 2.695 7.744 -3.247 1.00 0.00 O ATOM 642 CB LEU A 41 1.651 7.057 -5.848 1.00 0.00 C ATOM 643 CG LEU A 41 1.209 6.508 -7.210 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.298 5.301 -7.046 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.510 7.592 -8.014 1.00 0.00 C ATOM 0 H LEU A 41 0.801 5.321 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 41 3.262 5.664 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.760 7.285 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.175 7.999 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 41 2.100 6.187 -7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.001 4.933 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.829 4.515 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.589 5.589 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.202 7.188 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.368 7.940 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.194 8.426 -8.172 1.00 0.00 H new ATOM 657 N SER A 42 4.621 6.756 -3.912 1.00 0.00 N ATOM 658 CA SER A 42 5.458 7.323 -2.854 1.00 0.00 C ATOM 659 C SER A 42 5.113 6.693 -1.500 1.00 0.00 C ATOM 660 O SER A 42 4.130 5.959 -1.374 1.00 0.00 O ATOM 661 CB SER A 42 5.313 8.848 -2.795 1.00 0.00 C ATOM 662 OG SER A 42 5.484 9.423 -4.082 1.00 0.00 O ATOM 0 H SER A 42 5.137 6.199 -4.593 1.00 0.00 H new ATOM 0 HA SER A 42 6.498 7.094 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.330 9.109 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.050 9.261 -2.107 1.00 0.00 H new ATOM 0 HG SER A 42 5.850 8.751 -4.694 1.00 0.00 H new ATOM 863 N VAL A 56 2.449 3.621 7.217 1.00 0.00 N ATOM 864 CA VAL A 56 2.526 2.542 8.196 1.00 0.00 C ATOM 865 C VAL A 56 1.129 1.992 8.475 1.00 0.00 C ATOM 866 O VAL A 56 0.963 0.843 8.893 1.00 0.00 O ATOM 867 CB VAL A 56 3.166 3.027 9.518 1.00 0.00 C ATOM 868 CG1 VAL A 56 3.379 1.872 10.485 1.00 0.00 C ATOM 869 CG2 VAL A 56 4.478 3.744 9.244 1.00 0.00 C ATOM 0 HA VAL A 56 3.155 1.755 7.780 1.00 0.00 H new ATOM 0 HB VAL A 56 2.476 3.730 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.830 2.246 11.404 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.420 1.408 10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.040 1.134 10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.914 4.078 10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.168 3.063 8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.294 4.606 8.603 1.00 0.00 H new ATOM 879 N MET A 57 0.125 2.823 8.221 1.00 0.00 N ATOM 880 CA MET A 57 -1.269 2.433 8.389 1.00 0.00 C ATOM 881 C MET A 57 -1.638 1.300 7.433 1.00 0.00 C ATOM 882 O MET A 57 -2.469 0.453 7.754 1.00 0.00 O ATOM 883 CB MET A 57 -2.194 3.638 8.170 1.00 0.00 C ATOM 884 CG MET A 57 -2.188 4.647 9.315 1.00 0.00 C ATOM 885 SD MET A 57 -0.555 5.345 9.651 1.00 0.00 S ATOM 886 CE MET A 57 -0.956 6.549 10.914 1.00 0.00 C ATOM 0 H MET A 57 0.253 3.781 7.895 1.00 0.00 H new ATOM 0 HA MET A 57 -1.399 2.074 9.410 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.900 4.146 7.252 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.212 3.278 8.023 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.879 5.456 9.079 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.560 4.163 10.218 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.048 7.065 11.226 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.666 7.273 10.514 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.399 6.043 11.772 1.00 0.00 H new ATOM 896 N ILE A 58 -0.997 1.276 6.266 1.00 0.00 N ATOM 897 CA ILE A 58 -1.230 0.218 5.285 1.00 0.00 C ATOM 898 C ILE A 58 -0.692 -1.112 5.818 1.00 0.00 C ATOM 899 O ILE A 58 -1.291 -2.169 5.613 1.00 0.00 O ATOM 900 CB ILE A 58 -0.580 0.535 3.905 1.00 0.00 C ATOM 901 CG1 ILE A 58 -1.262 1.731 3.220 1.00 0.00 C ATOM 902 CG2 ILE A 58 -0.633 -0.680 2.987 1.00 0.00 C ATOM 903 CD1 ILE A 58 -0.859 3.080 3.771 1.00 0.00 C ATOM 0 H ILE A 58 -0.313 1.976 5.977 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.307 0.150 5.130 1.00 0.00 H new ATOM 0 HB ILE A 58 0.462 0.795 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.032 1.704 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.342 1.621 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.173 -0.433 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.092 -1.507 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.671 -0.970 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.387 3.866 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.115 3.132 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.216 3.216 3.651 1.00 0.00 H new ATOM 915 N ALA A 59 0.422 -1.044 6.538 1.00 0.00 N ATOM 916 CA ALA A 59 1.029 -2.231 7.125 1.00 0.00 C ATOM 917 C ALA A 59 0.124 -2.832 8.192 1.00 0.00 C ATOM 918 O ALA A 59 0.031 -4.051 8.328 1.00 0.00 O ATOM 919 CB ALA A 59 2.389 -1.891 7.715 1.00 0.00 C ATOM 0 H ALA A 59 0.924 -0.177 6.729 1.00 0.00 H new ATOM 0 HA ALA A 59 1.163 -2.971 6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.831 -2.787 8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.041 -1.509 6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.271 -1.132 8.489 1.00 0.00 H new ATOM 925 N GLU A 60 -0.546 -1.964 8.944 1.00 0.00 N ATOM 926 CA GLU A 60 -1.472 -2.400 9.980 1.00 0.00 C ATOM 927 C GLU A 60 -2.723 -2.994 9.336 1.00 0.00 C ATOM 928 O GLU A 60 -3.249 -4.012 9.784 1.00 0.00 O ATOM 929 CB GLU A 60 -1.844 -1.213 10.875 1.00 0.00 C ATOM 930 CG GLU A 60 -2.500 -1.609 12.188 1.00 0.00 C ATOM 931 CD GLU A 60 -1.569 -2.398 13.090 1.00 0.00 C ATOM 932 OE1 GLU A 60 -0.842 -1.776 13.896 1.00 0.00 O ATOM 933 OE2 GLU A 60 -1.554 -3.639 12.998 1.00 0.00 O ATOM 0 H GLU A 60 -0.463 -0.951 8.853 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.996 -3.165 10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.944 -0.637 11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.519 -0.556 10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.831 -0.711 12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.390 -2.204 11.981 1.00 0.00 H new ATOM 940 N LEU A 61 -3.171 -2.347 8.264 1.00 0.00 N ATOM 941 CA LEU A 61 -4.328 -2.795 7.489 1.00 0.00 C ATOM 942 C LEU A 61 -4.117 -4.227 7.003 1.00 0.00 C ATOM 943 O LEU A 61 -5.003 -5.073 7.117 1.00 0.00 O ATOM 944 CB LEU A 61 -4.519 -1.852 6.295 1.00 0.00 C ATOM 945 CG LEU A 61 -5.912 -1.824 5.648 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.037 -0.616 4.734 1.00 0.00 C ATOM 947 CD2 LEU A 61 -6.183 -3.095 4.856 1.00 0.00 C ATOM 0 H LEU A 61 -2.742 -1.494 7.906 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.219 -2.777 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.275 -0.840 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.794 -2.124 5.528 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.650 -1.757 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.028 -0.604 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.893 0.296 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.280 -0.672 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.177 -3.042 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.438 -3.198 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.129 -3.957 5.521 1.00 0.00 H new ATOM 959 N LEU A 62 -2.929 -4.471 6.462 1.00 0.00 N ATOM 960 CA LEU A 62 -2.547 -5.782 5.935 1.00 0.00 C ATOM 961 C LEU A 62 -2.802 -6.884 6.970 1.00 0.00 C ATOM 962 O LEU A 62 -3.316 -7.954 6.642 1.00 0.00 O ATOM 963 CB LEU A 62 -1.059 -5.744 5.537 1.00 0.00 C ATOM 964 CG LEU A 62 -0.568 -6.830 4.565 1.00 0.00 C ATOM 965 CD1 LEU A 62 0.834 -6.501 4.084 1.00 0.00 C ATOM 966 CD2 LEU A 62 -0.568 -8.208 5.211 1.00 0.00 C ATOM 0 H LEU A 62 -2.199 -3.764 6.375 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.154 -6.009 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.853 -4.771 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.463 -5.810 6.447 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.257 -6.850 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.174 -7.275 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.827 -5.539 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.510 -6.452 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.215 -8.947 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.091 -8.203 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.580 -8.463 5.525 1.00 0.00 H new ATOM 978 N ARG A 63 -2.473 -6.593 8.222 1.00 0.00 N ATOM 979 CA ARG A 63 -2.499 -7.595 9.283 1.00 0.00 C ATOM 980 C ARG A 63 -3.913 -8.082 9.580 1.00 0.00 C ATOM 981 O ARG A 63 -4.123 -9.266 9.847 1.00 0.00 O ATOM 982 CB ARG A 63 -1.892 -7.028 10.567 1.00 0.00 C ATOM 983 CG ARG A 63 -0.474 -6.516 10.399 1.00 0.00 C ATOM 984 CD ARG A 63 0.049 -5.898 11.685 1.00 0.00 C ATOM 985 NE ARG A 63 0.237 -6.893 12.743 1.00 0.00 N ATOM 986 CZ ARG A 63 0.198 -6.610 14.046 1.00 0.00 C ATOM 987 NH1 ARG A 63 -0.196 -5.410 14.459 1.00 0.00 N ATOM 988 NH2 ARG A 63 0.489 -7.555 14.934 1.00 0.00 N ATOM 0 H ARG A 63 -2.183 -5.665 8.530 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.911 -8.442 8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.522 -6.215 10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.901 -7.802 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.177 -7.336 10.097 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.445 -5.775 9.600 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.997 -5.399 11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.648 -5.133 12.028 1.00 0.00 H new ATOM 0 HE ARG A 63 0.408 -7.860 12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.470 -4.701 13.779 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.224 -5.198 15.456 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.741 -8.492 14.618 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.461 -7.344 15.931 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.877 -7.172 9.535 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.223 -7.480 9.976 1.00 0.00 C ATOM 1004 C GLU A 64 -7.190 -7.684 8.808 1.00 0.00 C ATOM 1005 O GLU A 64 -8.406 -7.564 8.974 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.722 -6.379 10.915 1.00 0.00 C ATOM 1007 CG GLU A 64 -6.584 -4.968 10.364 1.00 0.00 C ATOM 1008 CD GLU A 64 -6.928 -3.915 11.400 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -8.129 -3.711 11.675 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -5.999 -3.300 11.961 1.00 0.00 O ATOM 0 H GLU A 64 -4.749 -6.218 9.198 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.188 -8.427 10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.771 -6.564 11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.173 -6.444 11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.563 -4.813 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.237 -4.852 9.499 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.660 -8.021 7.635 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.508 -8.355 6.493 1.00 0.00 C ATOM 1019 C PHE A 65 -7.619 -9.874 6.351 1.00 0.00 C ATOM 1020 O PHE A 65 -6.703 -10.527 5.854 1.00 0.00 O ATOM 1021 CB PHE A 65 -6.959 -7.746 5.200 1.00 0.00 C ATOM 1022 CG PHE A 65 -8.033 -7.215 4.293 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.855 -8.076 3.584 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.225 -5.850 4.159 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.849 -7.585 2.758 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.217 -5.352 3.336 1.00 0.00 C ATOM 1027 CZ PHE A 65 -10.030 -6.219 2.634 1.00 0.00 C ATOM 0 H PHE A 65 -5.658 -8.070 7.451 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.498 -7.936 6.671 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.271 -6.938 5.450 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.383 -8.502 4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.718 -9.143 3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.592 -5.166 4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.483 -8.267 2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.356 -4.285 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.805 -5.832 1.990 1.00 0.00 H new ATOM 1037 N PRO A 66 -8.741 -10.458 6.802 1.00 0.00 N ATOM 1038 CA PRO A 66 -8.921 -11.906 6.847 1.00 0.00 C ATOM 1039 C PRO A 66 -9.560 -12.488 5.587 1.00 0.00 C ATOM 1040 O PRO A 66 -9.955 -13.656 5.566 1.00 0.00 O ATOM 1041 CB PRO A 66 -9.858 -12.067 8.039 1.00 0.00 C ATOM 1042 CG PRO A 66 -10.714 -10.840 8.024 1.00 0.00 C ATOM 1043 CD PRO A 66 -9.921 -9.755 7.331 1.00 0.00 C ATOM 0 HA PRO A 66 -7.971 -12.434 6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.461 -12.971 7.948 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.300 -12.148 8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.650 -11.029 7.498 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.974 -10.539 9.039 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.498 -9.287 6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.636 -8.964 8.025 1.00 0.00 H new ATOM 1051 N GLN A 67 -9.661 -11.685 4.537 1.00 0.00 N ATOM 1052 CA GLN A 67 -10.300 -12.145 3.313 1.00 0.00 C ATOM 1053 C GLN A 67 -9.253 -12.695 2.343 1.00 0.00 C ATOM 1054 O GLN A 67 -9.061 -13.905 2.253 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.117 -11.020 2.665 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.273 -11.514 1.800 1.00 0.00 C ATOM 1057 CD GLN A 67 -11.829 -12.125 0.484 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -11.554 -13.323 0.396 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -11.788 -11.309 -0.554 1.00 0.00 N ATOM 0 H GLN A 67 -9.314 -10.726 4.507 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.990 -12.950 3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.513 -10.374 3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.454 -10.409 2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.844 -12.254 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.945 -10.680 1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.023 -10.323 -0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.521 -11.665 -1.472 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.564 -11.809 1.634 1.00 0.00 N ATOM 1069 CA PHE A 68 -7.557 -12.235 0.672 1.00 0.00 C ATOM 1070 C PHE A 68 -6.151 -11.931 1.170 1.00 0.00 C ATOM 1071 O PHE A 68 -5.952 -11.064 2.021 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.789 -11.594 -0.708 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.143 -10.127 -0.688 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -7.359 -9.199 -0.016 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.264 -9.679 -1.370 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -7.693 -7.859 -0.025 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.600 -8.341 -1.379 1.00 0.00 C ATOM 1078 CZ PHE A 68 -8.814 -7.430 -0.706 1.00 0.00 C ATOM 0 H PHE A 68 -8.683 -10.799 1.706 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.654 -13.315 0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.888 -11.725 -1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.589 -12.137 -1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.480 -9.528 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.883 -10.387 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.076 -7.146 0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.478 -8.008 -1.913 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.075 -6.382 -0.712 1.00 0.00 H new ATOM 1088 N ASP A 69 -5.181 -12.656 0.635 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.784 -12.446 0.974 1.00 0.00 C ATOM 1090 C ASP A 69 -3.096 -11.748 -0.189 1.00 0.00 C ATOM 1091 O ASP A 69 -2.688 -12.387 -1.157 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.098 -13.780 1.279 1.00 0.00 C ATOM 1093 CG ASP A 69 -1.707 -13.606 1.857 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -1.592 -13.476 3.092 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -0.723 -13.614 1.084 1.00 0.00 O ATOM 0 H ASP A 69 -5.339 -13.402 -0.042 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.716 -11.824 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.710 -14.346 1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.035 -14.369 0.364 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.015 -10.431 -0.108 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.515 -9.627 -1.214 1.00 0.00 C ATOM 1102 C TRP A 70 -1.071 -9.199 -1.004 1.00 0.00 C ATOM 1103 O TRP A 70 -0.526 -9.303 0.098 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.409 -8.397 -1.436 1.00 0.00 C ATOM 1105 CG TRP A 70 -3.632 -7.533 -0.219 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.110 -7.699 1.036 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.453 -6.362 -0.153 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -3.557 -6.705 1.870 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.383 -5.872 1.164 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.241 -5.681 -1.085 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.072 -4.731 1.571 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -5.925 -4.552 -0.681 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -5.837 -4.086 0.637 1.00 0.00 C ATOM 0 H TRP A 70 -3.289 -9.893 0.714 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.544 -10.254 -2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.966 -7.783 -2.220 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.378 -8.734 -1.804 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.443 -8.497 1.327 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.314 -6.603 2.855 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.314 -6.032 -2.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.005 -4.369 2.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.538 -4.019 -1.393 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.384 -3.200 0.922 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.458 -8.722 -2.078 1.00 0.00 N ATOM 1125 CA GLN A 71 0.915 -8.244 -2.032 1.00 0.00 C ATOM 1126 C GLN A 71 0.944 -6.718 -2.034 1.00 0.00 C ATOM 1127 O GLN A 71 0.453 -6.078 -2.962 1.00 0.00 O ATOM 1128 CB GLN A 71 1.734 -8.783 -3.216 1.00 0.00 C ATOM 1129 CG GLN A 71 2.069 -10.271 -3.139 1.00 0.00 C ATOM 1130 CD GLN A 71 0.896 -11.181 -3.463 1.00 0.00 C ATOM 1131 OE1 GLN A 71 0.017 -10.739 -4.351 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 0.793 -12.285 -2.934 1.00 0.00 N flip ATOM 0 H GLN A 71 -0.894 -8.656 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 71 1.365 -8.612 -1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.181 -8.597 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.664 -8.219 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.885 -10.486 -3.829 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.430 -10.501 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.489 -12.592 -2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.011 -12.895 -3.174 1.00 0.00 H new ATOM 1141 N VAL A 72 1.510 -6.143 -0.987 1.00 0.00 N ATOM 1142 CA VAL A 72 1.623 -4.695 -0.876 1.00 0.00 C ATOM 1143 C VAL A 72 2.945 -4.208 -1.462 1.00 0.00 C ATOM 1144 O VAL A 72 4.014 -4.717 -1.115 1.00 0.00 O ATOM 1145 CB VAL A 72 1.507 -4.229 0.594 1.00 0.00 C ATOM 1146 CG1 VAL A 72 1.674 -2.721 0.703 1.00 0.00 C ATOM 1147 CG2 VAL A 72 0.173 -4.649 1.184 1.00 0.00 C ATOM 0 H VAL A 72 1.901 -6.657 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 72 0.798 -4.263 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 72 2.308 -4.706 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.588 -2.420 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.655 -2.435 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.899 -2.226 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.111 -4.312 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.637 -4.202 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.086 -5.735 1.150 1.00 0.00 H new ATOM 1157 N ALA A 73 2.867 -3.232 -2.357 1.00 0.00 N ATOM 1158 CA ALA A 73 4.048 -2.691 -3.005 1.00 0.00 C ATOM 1159 C ALA A 73 4.042 -1.166 -2.959 1.00 0.00 C ATOM 1160 O ALA A 73 2.997 -0.534 -3.106 1.00 0.00 O ATOM 1161 CB ALA A 73 4.123 -3.184 -4.441 1.00 0.00 C ATOM 0 H ALA A 73 1.991 -2.799 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 73 4.930 -3.038 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.012 -2.774 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.176 -4.273 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.235 -2.859 -4.984 1.00 0.00 H new ATOM 1167 N VAL A 74 5.209 -0.578 -2.758 1.00 0.00 N ATOM 1168 CA VAL A 74 5.329 0.871 -2.646 1.00 0.00 C ATOM 1169 C VAL A 74 6.476 1.381 -3.516 1.00 0.00 C ATOM 1170 O VAL A 74 7.515 0.735 -3.628 1.00 0.00 O ATOM 1171 CB VAL A 74 5.541 1.303 -1.170 1.00 0.00 C ATOM 1172 CG1 VAL A 74 6.697 0.537 -0.543 1.00 0.00 C ATOM 1173 CG2 VAL A 74 5.782 2.801 -1.062 1.00 0.00 C ATOM 0 H VAL A 74 6.092 -1.081 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 74 4.397 1.313 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 74 4.628 1.066 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.827 0.856 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.482 -0.531 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.611 0.737 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.927 3.072 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.671 3.069 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.921 3.338 -1.460 1.00 0.00 H new ATOM 1183 N ALA A 75 6.270 2.521 -4.160 1.00 0.00 N ATOM 1184 CA ALA A 75 7.312 3.139 -4.972 1.00 0.00 C ATOM 1185 C ALA A 75 7.972 4.279 -4.203 1.00 0.00 C ATOM 1186 O ALA A 75 7.409 4.780 -3.231 1.00 0.00 O ATOM 1187 CB ALA A 75 6.732 3.642 -6.289 1.00 0.00 C ATOM 0 H ALA A 75 5.391 3.038 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 75 8.071 2.390 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.522 4.100 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.302 2.806 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.956 4.380 -6.086 1.00 0.00 H new ATOM 1193 N ASP A 76 9.166 4.675 -4.634 1.00 0.00 N ATOM 1194 CA ASP A 76 9.910 5.738 -3.963 1.00 0.00 C ATOM 1195 C ASP A 76 9.309 7.119 -4.255 1.00 0.00 C ATOM 1196 O ASP A 76 8.415 7.570 -3.544 1.00 0.00 O ATOM 1197 CB ASP A 76 11.404 5.684 -4.343 1.00 0.00 C ATOM 1198 CG ASP A 76 11.648 5.630 -5.845 1.00 0.00 C ATOM 1199 OD1 ASP A 76 11.594 4.524 -6.419 1.00 0.00 O ATOM 1200 OD2 ASP A 76 11.892 6.697 -6.454 1.00 0.00 O ATOM 0 H ASP A 76 9.640 4.276 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 76 9.829 5.573 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.907 6.560 -3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.858 4.809 -3.878 1.00 0.00 H new ATOM 1205 N LEU A 77 9.793 7.778 -5.300 1.00 0.00 N ATOM 1206 CA LEU A 77 9.306 9.094 -5.689 1.00 0.00 C ATOM 1207 C LEU A 77 9.267 9.215 -7.205 1.00 0.00 C ATOM 1208 O LEU A 77 8.256 9.605 -7.787 1.00 0.00 O ATOM 1209 CB LEU A 77 10.203 10.195 -5.109 1.00 0.00 C ATOM 1210 CG LEU A 77 10.113 10.383 -3.596 1.00 0.00 C ATOM 1211 CD1 LEU A 77 11.130 11.410 -3.125 1.00 0.00 C ATOM 1212 CD2 LEU A 77 8.710 10.814 -3.207 1.00 0.00 C ATOM 0 H LEU A 77 10.533 7.415 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 77 8.298 9.214 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.238 9.972 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.949 11.139 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 77 10.336 9.432 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.051 11.531 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.134 11.071 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.935 12.365 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.656 10.945 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.469 11.756 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.996 10.050 -3.516 1.00 0.00 H new ATOM 1224 N GLU A 78 10.370 8.849 -7.841 1.00 0.00 N ATOM 1225 CA GLU A 78 10.501 8.961 -9.280 1.00 0.00 C ATOM 1226 C GLU A 78 9.618 7.941 -9.986 1.00 0.00 C ATOM 1227 O GLU A 78 9.097 8.195 -11.074 1.00 0.00 O ATOM 1228 CB GLU A 78 11.957 8.749 -9.665 1.00 0.00 C ATOM 1229 CG GLU A 78 12.900 9.769 -9.052 1.00 0.00 C ATOM 1230 CD GLU A 78 14.348 9.464 -9.344 1.00 0.00 C ATOM 1231 OE1 GLU A 78 14.805 9.749 -10.469 1.00 0.00 O ATOM 1232 OE2 GLU A 78 15.037 8.932 -8.448 1.00 0.00 O ATOM 0 H GLU A 78 11.193 8.468 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 78 10.179 9.955 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.265 7.750 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.047 8.789 -10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.656 10.760 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.748 9.797 -7.973 1.00 0.00 H new ATOM 1239 N GLN A 79 9.460 6.786 -9.361 1.00 0.00 N ATOM 1240 CA GLN A 79 8.634 5.724 -9.914 1.00 0.00 C ATOM 1241 C GLN A 79 7.154 6.049 -9.750 1.00 0.00 C ATOM 1242 O GLN A 79 6.342 5.692 -10.598 1.00 0.00 O ATOM 1243 CB GLN A 79 8.964 4.386 -9.240 1.00 0.00 C ATOM 1244 CG GLN A 79 10.166 3.659 -9.838 1.00 0.00 C ATOM 1245 CD GLN A 79 11.369 4.557 -10.079 1.00 0.00 C ATOM 1246 OE1 GLN A 79 11.546 5.101 -11.170 1.00 0.00 O ATOM 1247 NE2 GLN A 79 12.187 4.747 -9.058 1.00 0.00 N ATOM 0 H GLN A 79 9.895 6.559 -8.467 1.00 0.00 H new ATOM 0 HA GLN A 79 8.850 5.642 -10.979 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.152 4.563 -8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.092 3.735 -9.305 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.458 2.848 -9.170 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.870 3.203 -10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.010 4.280 -8.169 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.995 5.361 -9.160 1.00 0.00 H new ATOM 1256 N SER A 80 6.823 6.749 -8.669 1.00 0.00 N ATOM 1257 CA SER A 80 5.441 7.078 -8.337 1.00 0.00 C ATOM 1258 C SER A 80 4.688 7.708 -9.514 1.00 0.00 C ATOM 1259 O SER A 80 3.626 7.222 -9.902 1.00 0.00 O ATOM 1260 CB SER A 80 5.431 8.021 -7.139 1.00 0.00 C ATOM 1261 OG SER A 80 6.297 7.537 -6.126 1.00 0.00 O ATOM 0 H SER A 80 7.505 7.104 -7.999 1.00 0.00 H new ATOM 0 HA SER A 80 4.922 6.150 -8.095 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.744 9.018 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.418 8.113 -6.748 1.00 0.00 H new ATOM 0 HG SER A 80 6.332 6.558 -6.165 1.00 0.00 H new ATOM 1267 N GLU A 81 5.240 8.774 -10.090 1.00 0.00 N ATOM 1268 CA GLU A 81 4.571 9.471 -11.187 1.00 0.00 C ATOM 1269 C GLU A 81 4.490 8.591 -12.431 1.00 0.00 C ATOM 1270 O GLU A 81 3.460 8.548 -13.106 1.00 0.00 O ATOM 1271 CB GLU A 81 5.286 10.779 -11.523 1.00 0.00 C ATOM 1272 CG GLU A 81 4.647 11.523 -12.687 1.00 0.00 C ATOM 1273 CD GLU A 81 5.379 12.790 -13.064 1.00 0.00 C ATOM 1274 OE1 GLU A 81 6.537 12.697 -13.525 1.00 0.00 O ATOM 1275 OE2 GLU A 81 4.794 13.884 -12.921 1.00 0.00 O ATOM 0 H GLU A 81 6.140 9.171 -9.819 1.00 0.00 H new ATOM 0 HA GLU A 81 3.558 9.700 -10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.286 11.423 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.328 10.566 -11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.609 10.863 -13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.617 11.770 -12.429 1.00 0.00 H new ATOM 1282 N ALA A 82 5.575 7.890 -12.727 1.00 0.00 N ATOM 1283 CA ALA A 82 5.634 7.024 -13.896 1.00 0.00 C ATOM 1284 C ALA A 82 4.593 5.911 -13.812 1.00 0.00 C ATOM 1285 O ALA A 82 3.931 5.592 -14.803 1.00 0.00 O ATOM 1286 CB ALA A 82 7.031 6.448 -14.049 1.00 0.00 C ATOM 0 H ALA A 82 6.430 7.904 -12.171 1.00 0.00 H new ATOM 0 HA ALA A 82 5.404 7.622 -14.778 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.064 5.802 -14.926 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.748 7.260 -14.169 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.285 5.868 -13.162 1.00 0.00 H new ATOM 1292 N ILE A 83 4.447 5.334 -12.625 1.00 0.00 N ATOM 1293 CA ILE A 83 3.443 4.307 -12.387 1.00 0.00 C ATOM 1294 C ILE A 83 2.045 4.915 -12.453 1.00 0.00 C ATOM 1295 O ILE A 83 1.123 4.318 -13.007 1.00 0.00 O ATOM 1296 CB ILE A 83 3.644 3.625 -11.014 1.00 0.00 C ATOM 1297 CG1 ILE A 83 5.024 2.970 -10.948 1.00 0.00 C ATOM 1298 CG2 ILE A 83 2.554 2.590 -10.760 1.00 0.00 C ATOM 1299 CD1 ILE A 83 5.355 2.381 -9.595 1.00 0.00 C ATOM 0 H ILE A 83 5.015 5.562 -11.809 1.00 0.00 H new ATOM 0 HA ILE A 83 3.553 3.551 -13.164 1.00 0.00 H new ATOM 0 HB ILE A 83 3.578 4.387 -10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.079 2.183 -11.700 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.781 3.711 -11.206 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.715 2.123 -9.789 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.579 3.078 -10.771 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.587 1.828 -11.539 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.349 1.935 -9.626 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.334 3.168 -8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.621 1.616 -9.342 1.00 0.00 H new ATOM 1311 N GLY A 84 1.906 6.114 -11.897 1.00 0.00 N ATOM 1312 CA GLY A 84 0.634 6.807 -11.923 1.00 0.00 C ATOM 1313 C GLY A 84 0.156 7.089 -13.331 1.00 0.00 C ATOM 1314 O GLY A 84 -1.035 7.002 -13.616 1.00 0.00 O ATOM 0 H GLY A 84 2.657 6.619 -11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.113 6.208 -11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.725 7.747 -11.379 1.00 0.00 H new ATOM 1318 N ASP A 85 1.093 7.415 -14.214 1.00 0.00 N ATOM 1319 CA ASP A 85 0.782 7.713 -15.612 1.00 0.00 C ATOM 1320 C ASP A 85 0.131 6.511 -16.285 1.00 0.00 C ATOM 1321 O ASP A 85 -0.798 6.658 -17.078 1.00 0.00 O ATOM 1322 CB ASP A 85 2.057 8.100 -16.361 1.00 0.00 C ATOM 1323 CG ASP A 85 1.790 8.562 -17.782 1.00 0.00 C ATOM 1324 OD1 ASP A 85 1.364 9.726 -17.968 1.00 0.00 O ATOM 1325 OD2 ASP A 85 2.036 7.777 -18.719 1.00 0.00 O ATOM 0 H ASP A 85 2.085 7.481 -13.986 1.00 0.00 H new ATOM 0 HA ASP A 85 0.082 8.548 -15.639 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.566 8.895 -15.815 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.733 7.245 -16.383 1.00 0.00 H new ATOM 1330 N ARG A 86 0.622 5.327 -15.930 1.00 0.00 N ATOM 1331 CA ARG A 86 0.089 4.058 -16.439 1.00 0.00 C ATOM 1332 C ARG A 86 -1.438 4.007 -16.323 1.00 0.00 C ATOM 1333 O ARG A 86 -2.136 3.692 -17.287 1.00 0.00 O ATOM 1334 CB ARG A 86 0.714 2.888 -15.664 1.00 0.00 C ATOM 1335 CG ARG A 86 0.192 1.502 -16.043 1.00 0.00 C ATOM 1336 CD ARG A 86 0.670 1.041 -17.418 1.00 0.00 C ATOM 1337 NE ARG A 86 0.045 1.792 -18.505 1.00 0.00 N ATOM 1338 CZ ARG A 86 -0.941 1.325 -19.272 1.00 0.00 C ATOM 1339 NH1 ARG A 86 -1.392 0.082 -19.116 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -1.468 2.099 -20.209 1.00 0.00 N ATOM 0 H ARG A 86 1.401 5.216 -15.281 1.00 0.00 H new ATOM 0 HA ARG A 86 0.347 3.978 -17.495 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.793 2.907 -15.818 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.541 3.045 -14.599 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.513 0.781 -15.292 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.898 1.513 -16.028 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.753 1.151 -17.479 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.450 -0.020 -17.539 1.00 0.00 H new ATOM 0 HE ARG A 86 0.385 2.736 -18.689 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.983 -0.523 -18.404 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.147 -0.265 -19.708 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.119 3.048 -20.342 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.222 1.746 -20.798 1.00 0.00 H new ATOM 1354 N PHE A 87 -1.953 4.333 -15.147 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.396 4.298 -14.924 1.00 0.00 C ATOM 1356 C PHE A 87 -3.992 5.707 -14.868 1.00 0.00 C ATOM 1357 O PHE A 87 -5.126 5.894 -14.430 1.00 0.00 O ATOM 1358 CB PHE A 87 -3.742 3.505 -13.656 1.00 0.00 C ATOM 1359 CG PHE A 87 -2.793 3.699 -12.509 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -2.798 4.868 -11.771 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -1.904 2.695 -12.161 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -1.934 5.035 -10.707 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.037 2.855 -11.099 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.051 4.027 -10.371 1.00 0.00 C ATOM 0 H PHE A 87 -1.403 4.622 -14.338 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.844 3.785 -15.775 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.744 3.787 -13.331 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.774 2.445 -13.906 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.486 5.660 -12.030 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.889 1.776 -12.728 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.948 5.953 -10.138 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.349 2.064 -10.838 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.373 4.156 -9.540 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.210 6.689 -15.328 1.00 0.00 N ATOM 1375 CA ASN A 88 -3.658 8.077 -15.460 1.00 0.00 C ATOM 1376 C ASN A 88 -4.002 8.709 -14.111 1.00 0.00 C ATOM 1377 O ASN A 88 -4.719 9.709 -14.047 1.00 0.00 O ATOM 1378 CB ASN A 88 -4.858 8.170 -16.405 1.00 0.00 C ATOM 1379 CG ASN A 88 -4.487 8.064 -17.878 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -3.419 7.342 -18.183 1.00 0.00 O flip ATOM 1381 ND2 ASN A 88 -5.162 8.629 -18.740 1.00 0.00 N flip ATOM 0 H ASN A 88 -2.244 6.541 -15.620 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.824 8.639 -15.881 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.565 7.377 -16.160 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.370 9.117 -16.236 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.979 9.177 -18.470 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.904 8.548 -19.724 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.461 8.152 -13.042 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.691 8.686 -11.708 1.00 0.00 C ATOM 1390 C VAL A 89 -2.364 9.081 -11.076 1.00 0.00 C ATOM 1391 O VAL A 89 -1.669 8.255 -10.492 1.00 0.00 O ATOM 1392 CB VAL A 89 -4.428 7.681 -10.791 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -4.683 8.288 -9.419 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -5.736 7.235 -11.425 1.00 0.00 C ATOM 0 H VAL A 89 -2.859 7.329 -13.070 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.331 9.562 -11.813 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.789 6.807 -10.666 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.202 7.564 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.733 8.554 -8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.297 9.182 -9.525 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.238 6.529 -10.764 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.377 8.102 -11.585 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.531 6.754 -12.382 1.00 0.00 H new ATOM 1404 N ARG A 90 -2.003 10.342 -11.229 1.00 0.00 N ATOM 1405 CA ARG A 90 -0.732 10.840 -10.718 1.00 0.00 C ATOM 1406 C ARG A 90 -0.926 12.153 -9.968 1.00 0.00 C ATOM 1407 O ARG A 90 -0.005 12.960 -9.849 1.00 0.00 O ATOM 1408 CB ARG A 90 0.268 11.007 -11.871 1.00 0.00 C ATOM 1409 CG ARG A 90 -0.340 11.620 -13.122 1.00 0.00 C ATOM 1410 CD ARG A 90 0.663 11.682 -14.264 1.00 0.00 C ATOM 1411 NE ARG A 90 1.689 12.699 -14.042 1.00 0.00 N ATOM 1412 CZ ARG A 90 1.843 13.772 -14.812 1.00 0.00 C ATOM 1413 NH1 ARG A 90 1.081 13.928 -15.891 1.00 0.00 N ATOM 1414 NH2 ARG A 90 2.779 14.669 -14.522 1.00 0.00 N ATOM 0 H ARG A 90 -2.571 11.044 -11.704 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.329 10.113 -10.013 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.095 11.633 -11.535 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.687 10.032 -12.121 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.206 11.034 -13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.698 12.625 -12.898 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.138 10.708 -14.381 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.138 11.895 -15.195 1.00 0.00 H new ATOM 0 HE ARG A 90 2.323 12.579 -13.252 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.380 13.225 -16.126 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.197 14.750 -16.483 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.380 14.535 -13.709 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.897 15.492 -15.113 1.00 0.00 H new ATOM 1428 N ARG A 91 -2.129 12.349 -9.449 1.00 0.00 N ATOM 1429 CA ARG A 91 -2.440 13.525 -8.650 1.00 0.00 C ATOM 1430 C ARG A 91 -2.497 13.145 -7.175 1.00 0.00 C ATOM 1431 O ARG A 91 -3.405 12.429 -6.751 1.00 0.00 O ATOM 1432 CB ARG A 91 -3.765 14.151 -9.105 1.00 0.00 C ATOM 1433 CG ARG A 91 -4.298 15.215 -8.159 1.00 0.00 C ATOM 1434 CD ARG A 91 -5.493 15.943 -8.748 1.00 0.00 C ATOM 1435 NE ARG A 91 -6.223 16.717 -7.741 1.00 0.00 N ATOM 1436 CZ ARG A 91 -6.047 18.019 -7.512 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -5.095 18.697 -8.140 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -6.816 18.637 -6.624 1.00 0.00 N ATOM 0 H ARG A 91 -2.910 11.704 -9.568 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.654 14.267 -8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.628 14.592 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.511 13.363 -9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.583 14.752 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.508 15.933 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.155 16.610 -9.541 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.167 15.219 -9.206 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.915 16.225 -7.175 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.487 18.223 -8.807 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.971 19.693 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.535 18.116 -6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.687 19.633 -6.443 1.00 0.00 H new ATOM 1452 N PHE A 92 -1.504 13.623 -6.417 1.00 0.00 N ATOM 1453 CA PHE A 92 -1.360 13.311 -4.988 1.00 0.00 C ATOM 1454 C PHE A 92 -0.925 11.859 -4.769 1.00 0.00 C ATOM 1455 O PHE A 92 -1.188 10.983 -5.594 1.00 0.00 O ATOM 1456 CB PHE A 92 -2.652 13.603 -4.209 1.00 0.00 C ATOM 1457 CG PHE A 92 -2.969 15.067 -4.079 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -2.167 15.895 -3.308 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -4.070 15.612 -4.718 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -2.460 17.239 -3.177 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -4.365 16.956 -4.592 1.00 0.00 C ATOM 1462 CZ PHE A 92 -3.561 17.771 -3.821 1.00 0.00 C ATOM 0 H PHE A 92 -0.775 14.239 -6.777 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.577 13.964 -4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.484 13.104 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.569 13.170 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.304 15.485 -2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.705 14.980 -5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.829 17.873 -2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.225 17.369 -5.097 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.792 18.821 -3.721 1.00 0.00 H new ATOM 1472 N PRO A 93 -0.216 11.592 -3.659 1.00 0.00 N ATOM 1473 CA PRO A 93 0.203 10.239 -3.296 1.00 0.00 C ATOM 1474 C PRO A 93 -0.966 9.410 -2.780 1.00 0.00 C ATOM 1475 O PRO A 93 -1.496 9.674 -1.700 1.00 0.00 O ATOM 1476 CB PRO A 93 1.235 10.453 -2.176 1.00 0.00 C ATOM 1477 CG PRO A 93 1.476 11.928 -2.116 1.00 0.00 C ATOM 1478 CD PRO A 93 0.244 12.577 -2.675 1.00 0.00 C ATOM 0 HA PRO A 93 0.603 9.695 -4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.860 10.080 -1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.159 9.915 -2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.655 12.252 -1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.357 12.202 -2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.504 12.759 -1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.466 13.539 -3.137 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.373 8.421 -3.557 1.00 0.00 N ATOM 1487 CA ALA A 94 -2.506 7.584 -3.199 1.00 0.00 C ATOM 1488 C ALA A 94 -2.139 6.109 -3.292 1.00 0.00 C ATOM 1489 O ALA A 94 -1.042 5.761 -3.739 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.687 7.892 -4.106 1.00 0.00 C ATOM 0 H ALA A 94 -0.933 8.177 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.784 7.801 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.532 7.260 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.967 8.940 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.411 7.697 -5.142 1.00 0.00 H new ATOM 1496 N THR A 95 -3.051 5.245 -2.875 1.00 0.00 N ATOM 1497 CA THR A 95 -2.836 3.816 -2.953 1.00 0.00 C ATOM 1498 C THR A 95 -3.984 3.192 -3.722 1.00 0.00 C ATOM 1499 O THR A 95 -5.140 3.384 -3.364 1.00 0.00 O ATOM 1500 CB THR A 95 -2.757 3.192 -1.549 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.819 3.917 -0.745 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.346 1.729 -1.623 1.00 0.00 C ATOM 0 H THR A 95 -3.951 5.515 -2.478 1.00 0.00 H new ATOM 0 HA THR A 95 -1.890 3.628 -3.461 1.00 0.00 H new ATOM 0 HB THR A 95 -3.747 3.248 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.775 3.516 0.148 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.298 1.313 -0.617 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.078 1.175 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.367 1.650 -2.095 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.678 2.488 -4.793 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.714 1.881 -5.607 1.00 0.00 C ATOM 1512 C LEU A 96 -4.891 0.411 -5.255 1.00 0.00 C ATOM 1513 O LEU A 96 -3.921 -0.284 -4.949 1.00 0.00 O ATOM 1514 CB LEU A 96 -4.395 2.046 -7.090 1.00 0.00 C ATOM 1515 CG LEU A 96 -4.444 3.486 -7.607 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -3.154 4.228 -7.296 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.730 3.507 -9.098 1.00 0.00 C ATOM 0 H LEU A 96 -2.726 2.322 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.654 2.393 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.401 1.642 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.098 1.445 -7.666 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.255 4.000 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.220 5.248 -7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.999 4.252 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.317 3.717 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.761 4.539 -9.448 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.944 2.968 -9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.691 3.029 -9.291 1.00 0.00 H new ATOM 1529 N VAL A 97 -6.135 -0.049 -5.303 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.471 -1.408 -4.908 1.00 0.00 C ATOM 1531 C VAL A 97 -6.615 -2.306 -6.128 1.00 0.00 C ATOM 1532 O VAL A 97 -7.528 -2.134 -6.941 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.781 -1.453 -4.094 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.074 -2.871 -3.616 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.713 -0.491 -2.915 1.00 0.00 C ATOM 0 H VAL A 97 -6.932 0.506 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.654 -1.769 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.597 -1.140 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.002 -2.878 -3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.173 -3.532 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.256 -3.218 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.646 -0.537 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.884 -0.770 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.560 0.524 -3.282 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.712 -3.262 -6.245 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.725 -4.201 -7.347 1.00 0.00 C ATOM 1547 C PHE A 98 -6.147 -5.571 -6.849 1.00 0.00 C ATOM 1548 O PHE A 98 -5.517 -6.142 -5.970 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.346 -4.271 -8.006 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.902 -2.959 -8.587 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.286 -2.004 -7.794 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.114 -2.676 -9.924 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.891 -0.792 -8.325 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.716 -1.467 -10.461 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.107 -0.525 -9.662 1.00 0.00 C ATOM 0 H PHE A 98 -4.952 -3.408 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.442 -3.861 -8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.614 -4.601 -7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.365 -5.023 -8.795 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.113 -2.210 -6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.596 -3.408 -10.555 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.414 -0.055 -7.696 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.883 -1.260 -11.508 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.799 0.422 -10.081 1.00 0.00 H new ATOM 1565 N THR A 99 -7.231 -6.071 -7.393 1.00 0.00 N ATOM 1566 CA THR A 99 -7.743 -7.381 -7.035 1.00 0.00 C ATOM 1567 C THR A 99 -8.426 -8.001 -8.246 1.00 0.00 C ATOM 1568 O THR A 99 -8.918 -7.272 -9.115 1.00 0.00 O ATOM 1569 CB THR A 99 -8.719 -7.295 -5.839 1.00 0.00 C ATOM 1570 OG1 THR A 99 -9.296 -5.986 -5.781 1.00 0.00 O ATOM 1571 CG2 THR A 99 -8.011 -7.585 -4.524 1.00 0.00 C ATOM 0 H THR A 99 -7.786 -5.584 -8.097 1.00 0.00 H new ATOM 0 HA THR A 99 -6.910 -8.012 -6.727 1.00 0.00 H new ATOM 0 HB THR A 99 -9.497 -8.044 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.788 -5.882 -4.940 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.725 -7.516 -3.703 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.587 -8.589 -4.553 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.213 -6.858 -4.372 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.415 -9.332 -8.321 1.00 0.00 N ATOM 1580 CA ASP A 100 -8.934 -10.064 -9.484 1.00 0.00 C ATOM 1581 C ASP A 100 -8.036 -9.853 -10.698 1.00 0.00 C ATOM 1582 O ASP A 100 -8.402 -10.189 -11.829 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.365 -9.633 -9.835 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.412 -10.183 -8.896 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -11.685 -9.541 -7.864 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -11.995 -11.244 -9.209 1.00 0.00 O ATOM 0 H ASP A 100 -8.049 -9.934 -7.583 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.946 -11.120 -9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.419 -8.544 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.594 -9.957 -10.850 1.00 0.00 H new ATOM 1591 N GLY A 101 -6.856 -9.305 -10.456 1.00 0.00 N ATOM 1592 CA GLY A 101 -5.948 -8.975 -11.535 1.00 0.00 C ATOM 1593 C GLY A 101 -6.328 -7.672 -12.206 1.00 0.00 C ATOM 1594 O GLY A 101 -5.830 -7.345 -13.284 1.00 0.00 O ATOM 0 H GLY A 101 -6.508 -9.081 -9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.932 -8.902 -11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.951 -9.778 -12.272 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.225 -6.932 -11.569 1.00 0.00 N ATOM 1599 CA LYS A 102 -7.718 -5.681 -12.122 1.00 0.00 C ATOM 1600 C LYS A 102 -7.691 -4.571 -11.078 1.00 0.00 C ATOM 1601 O LYS A 102 -7.512 -4.824 -9.887 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.146 -5.863 -12.632 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.264 -6.832 -13.796 1.00 0.00 C ATOM 1604 CD LYS A 102 -10.715 -7.143 -14.104 1.00 0.00 C ATOM 1605 CE LYS A 102 -10.855 -8.031 -15.327 1.00 0.00 C ATOM 1606 NZ LYS A 102 -12.270 -8.412 -15.566 1.00 0.00 N ATOM 0 H LYS A 102 -7.627 -7.179 -10.665 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.065 -5.397 -12.948 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.772 -6.216 -11.813 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.539 -4.893 -12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.785 -6.406 -14.678 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.734 -7.755 -13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.172 -7.634 -13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.259 -6.213 -14.266 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.465 -7.511 -16.202 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.253 -8.930 -15.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.329 -9.018 -16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.634 -8.930 -14.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.840 -7.555 -15.716 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.870 -3.341 -11.534 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.938 -2.199 -10.641 1.00 0.00 C ATOM 1622 C LEU A 103 -9.375 -1.997 -10.173 1.00 0.00 C ATOM 1623 O LEU A 103 -10.247 -1.624 -10.957 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.415 -0.947 -11.354 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.396 0.332 -10.513 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.584 0.132 -9.245 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.844 1.494 -11.327 1.00 0.00 C ATOM 0 H LEU A 103 -7.971 -3.109 -12.522 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.312 -2.382 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.402 -1.146 -11.704 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.028 -0.771 -12.238 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.420 0.568 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.585 1.054 -8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.025 -0.671 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.559 -0.131 -9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.837 2.396 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.827 1.264 -11.646 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.472 1.655 -12.203 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.620 -2.272 -8.903 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.956 -2.146 -8.338 1.00 0.00 C ATOM 1641 C ARG A 104 -11.240 -0.702 -7.941 1.00 0.00 C ATOM 1642 O ARG A 104 -12.353 -0.212 -8.110 1.00 0.00 O ATOM 1643 CB ARG A 104 -11.102 -3.057 -7.118 1.00 0.00 C ATOM 1644 CG ARG A 104 -11.207 -4.540 -7.443 1.00 0.00 C ATOM 1645 CD ARG A 104 -12.644 -4.978 -7.683 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.786 -6.437 -7.602 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.906 -7.068 -7.229 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -14.997 -6.379 -6.913 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -13.931 -8.389 -7.159 1.00 0.00 N ATOM 0 H ARG A 104 -8.910 -2.585 -8.241 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.677 -2.447 -9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.246 -2.902 -6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.990 -2.757 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.610 -4.759 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.785 -5.120 -6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.296 -4.507 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.970 -4.634 -8.664 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.977 -7.008 -7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.986 -5.360 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.846 -6.869 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.096 -8.928 -7.389 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.785 -8.869 -6.875 1.00 0.00 H new ATOM 1663 N GLY A 105 -10.224 -0.028 -7.416 1.00 0.00 N ATOM 1664 CA GLY A 105 -10.394 1.340 -6.970 1.00 0.00 C ATOM 1665 C GLY A 105 -9.171 1.864 -6.245 1.00 0.00 C ATOM 1666 O GLY A 105 -8.045 1.486 -6.566 1.00 0.00 O ATOM 0 H GLY A 105 -9.285 -0.406 -7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.605 1.977 -7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.259 1.400 -6.309 1.00 0.00 H new ATOM 1670 N ALA A 106 -9.387 2.712 -5.249 1.00 0.00 N ATOM 1671 CA ALA A 106 -8.290 3.325 -4.515 1.00 0.00 C ATOM 1672 C ALA A 106 -8.545 3.273 -3.013 1.00 0.00 C ATOM 1673 O ALA A 106 -9.679 3.085 -2.579 1.00 0.00 O ATOM 1674 CB ALA A 106 -8.088 4.762 -4.972 1.00 0.00 C ATOM 0 H ALA A 106 -10.315 2.991 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.381 2.761 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.264 5.209 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.855 4.776 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.999 5.332 -4.792 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.486 3.458 -2.234 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.568 3.401 -0.780 1.00 0.00 C ATOM 1682 C LEU A 107 -7.392 4.804 -0.215 1.00 0.00 C ATOM 1683 O LEU A 107 -7.166 4.998 0.977 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.471 2.469 -0.245 1.00 0.00 C ATOM 1685 CG LEU A 107 -6.891 1.496 0.867 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -7.202 2.228 2.163 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -8.091 0.673 0.428 1.00 0.00 C ATOM 0 H LEU A 107 -6.550 3.651 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.540 3.013 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.079 1.887 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.652 3.083 0.129 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.051 0.827 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.495 1.507 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.317 2.770 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.017 2.932 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.375 -0.011 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.926 1.337 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.834 0.102 -0.464 1.00 0.00 H new ATOM 1699 N SER A 108 -7.507 5.788 -1.090 1.00 0.00 N ATOM 1700 CA SER A 108 -7.284 7.166 -0.708 1.00 0.00 C ATOM 1701 C SER A 108 -8.446 8.051 -1.149 1.00 0.00 C ATOM 1702 O SER A 108 -8.536 8.457 -2.307 1.00 0.00 O ATOM 1703 CB SER A 108 -5.969 7.658 -1.311 1.00 0.00 C ATOM 1704 OG SER A 108 -4.920 6.734 -1.050 1.00 0.00 O ATOM 0 H SER A 108 -7.754 5.655 -2.071 1.00 0.00 H new ATOM 0 HA SER A 108 -7.221 7.223 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.084 7.791 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.714 8.632 -0.894 1.00 0.00 H new ATOM 0 HG SER A 108 -4.213 7.178 -0.537 1.00 0.00 H new ATOM 1710 N GLY A 109 -9.354 8.306 -0.222 1.00 0.00 N ATOM 1711 CA GLY A 109 -10.449 9.222 -0.475 1.00 0.00 C ATOM 1712 C GLY A 109 -10.443 10.353 0.525 1.00 0.00 C ATOM 1713 O GLY A 109 -10.183 11.502 0.178 1.00 0.00 O ATOM 0 H GLY A 109 -9.353 7.892 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.368 9.623 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -11.397 8.687 -0.420 1.00 0.00 H new ATOM 1717 N ILE A 110 -10.714 10.018 1.777 1.00 0.00 N ATOM 1718 CA ILE A 110 -10.607 10.970 2.868 1.00 0.00 C ATOM 1719 C ILE A 110 -10.091 10.249 4.114 1.00 0.00 C ATOM 1720 O ILE A 110 -10.847 9.594 4.830 1.00 0.00 O ATOM 1721 CB ILE A 110 -11.953 11.700 3.142 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -11.835 12.611 4.367 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -13.104 10.710 3.302 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -13.066 13.458 4.616 1.00 0.00 C ATOM 0 H ILE A 110 -11.012 9.085 2.063 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.897 11.747 2.585 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.177 12.322 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -11.642 11.998 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.973 13.266 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -14.029 11.255 3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -13.209 10.124 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.897 10.043 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -12.909 14.077 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -13.248 14.098 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.928 12.810 4.776 1.00 0.00 H new ATOM 1736 N HIS A 111 -8.776 10.355 4.328 1.00 0.00 N ATOM 1737 CA HIS A 111 -8.064 9.599 5.369 1.00 0.00 C ATOM 1738 C HIS A 111 -7.967 8.125 4.984 1.00 0.00 C ATOM 1739 O HIS A 111 -8.911 7.555 4.438 1.00 0.00 O ATOM 1740 CB HIS A 111 -8.715 9.751 6.752 1.00 0.00 C ATOM 1741 CG HIS A 111 -8.561 11.119 7.343 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -7.458 11.502 8.076 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -9.375 12.198 7.303 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -7.602 12.755 8.463 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -8.755 13.200 8.006 1.00 0.00 N ATOM 0 H HIS A 111 -8.171 10.969 3.783 1.00 0.00 H new ATOM 0 HA HIS A 111 -7.060 10.018 5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -9.777 9.517 6.672 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -8.278 9.020 7.432 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -10.334 12.260 6.810 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.896 13.320 9.053 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -9.127 14.139 8.151 1.00 0.00 H new ATOM 1754 N PRO A 112 -6.807 7.497 5.238 1.00 0.00 N ATOM 1755 CA PRO A 112 -6.563 6.094 4.876 1.00 0.00 C ATOM 1756 C PRO A 112 -7.603 5.142 5.462 1.00 0.00 C ATOM 1757 O PRO A 112 -8.095 4.247 4.776 1.00 0.00 O ATOM 1758 CB PRO A 112 -5.175 5.794 5.459 1.00 0.00 C ATOM 1759 CG PRO A 112 -4.897 6.903 6.416 1.00 0.00 C ATOM 1760 CD PRO A 112 -5.630 8.099 5.883 1.00 0.00 C ATOM 0 HA PRO A 112 -6.624 5.949 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -5.162 4.828 5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.420 5.754 4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.241 6.649 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -3.827 7.100 6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -5.913 8.788 6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -5.024 8.662 5.174 1.00 0.00 H new ATOM 1768 N TRP A 113 -7.948 5.340 6.726 1.00 0.00 N ATOM 1769 CA TRP A 113 -8.901 4.461 7.376 1.00 0.00 C ATOM 1770 C TRP A 113 -10.157 5.221 7.780 1.00 0.00 C ATOM 1771 O TRP A 113 -10.158 5.965 8.759 1.00 0.00 O ATOM 1772 CB TRP A 113 -8.283 3.789 8.601 1.00 0.00 C ATOM 1773 CG TRP A 113 -9.000 2.533 8.989 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -10.294 2.420 9.408 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -8.463 1.209 8.980 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.593 1.104 9.661 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.483 0.340 9.408 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.212 0.674 8.656 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -9.295 -1.035 9.509 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -7.026 -0.691 8.758 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -8.062 -1.532 9.183 1.00 0.00 C ATOM 0 H TRP A 113 -7.586 6.092 7.313 1.00 0.00 H new ATOM 0 HA TRP A 113 -9.176 3.689 6.658 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -7.238 3.558 8.396 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -8.297 4.485 9.439 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -10.982 3.245 9.524 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.494 0.752 9.984 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.406 1.316 8.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -10.093 -1.687 9.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -6.066 -1.117 8.506 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.884 -2.595 9.255 1.00 0.00 H new ATOM 1792 N ALA A 114 -11.208 5.025 6.998 1.00 0.00 N ATOM 1793 CA ALA A 114 -12.526 5.591 7.275 1.00 0.00 C ATOM 1794 C ALA A 114 -13.510 5.108 6.229 1.00 0.00 C ATOM 1795 O ALA A 114 -14.490 4.432 6.537 1.00 0.00 O ATOM 1796 CB ALA A 114 -12.488 7.115 7.289 1.00 0.00 C ATOM 0 H ALA A 114 -11.173 4.465 6.146 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.841 5.258 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.485 7.502 7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.798 7.455 8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.154 7.480 6.318 1.00 0.00 H new ATOM 1802 N GLU A 115 -13.207 5.420 4.979 1.00 0.00 N ATOM 1803 CA GLU A 115 -14.058 5.029 3.864 1.00 0.00 C ATOM 1804 C GLU A 115 -13.924 3.543 3.562 1.00 0.00 C ATOM 1805 O GLU A 115 -14.658 3.009 2.739 1.00 0.00 O ATOM 1806 CB GLU A 115 -13.727 5.853 2.623 1.00 0.00 C ATOM 1807 CG GLU A 115 -14.340 7.242 2.641 1.00 0.00 C ATOM 1808 CD GLU A 115 -15.852 7.206 2.538 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -16.368 7.151 1.403 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -16.532 7.227 3.587 1.00 0.00 O ATOM 0 H GLU A 115 -12.375 5.945 4.709 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.092 5.224 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.644 5.943 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -14.077 5.321 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.053 7.751 3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.936 7.826 1.814 1.00 0.00 H new ATOM 1817 N LEU A 116 -12.989 2.879 4.238 1.00 0.00 N ATOM 1818 CA LEU A 116 -12.822 1.433 4.113 1.00 0.00 C ATOM 1819 C LEU A 116 -14.126 0.705 4.405 1.00 0.00 C ATOM 1820 O LEU A 116 -14.407 -0.341 3.822 1.00 0.00 O ATOM 1821 CB LEU A 116 -11.731 0.936 5.061 1.00 0.00 C ATOM 1822 CG LEU A 116 -10.309 1.038 4.517 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -9.297 0.767 5.615 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.119 0.056 3.372 1.00 0.00 C ATOM 0 H LEU A 116 -12.333 3.322 4.881 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.527 1.220 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.791 1.504 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.935 -0.105 5.311 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.150 2.050 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.289 0.844 5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.423 1.498 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.452 -0.236 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.101 0.135 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.294 -0.959 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.825 0.286 2.574 1.00 0.00 H new ATOM 1836 N LEU A 117 -14.917 1.279 5.303 1.00 0.00 N ATOM 1837 CA LEU A 117 -16.220 0.733 5.652 1.00 0.00 C ATOM 1838 C LEU A 117 -17.140 0.700 4.429 1.00 0.00 C ATOM 1839 O LEU A 117 -17.931 -0.225 4.257 1.00 0.00 O ATOM 1840 CB LEU A 117 -16.842 1.568 6.776 1.00 0.00 C ATOM 1841 CG LEU A 117 -16.112 1.492 8.121 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -16.793 2.383 9.148 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -16.053 0.055 8.618 1.00 0.00 C ATOM 0 H LEU A 117 -14.674 2.132 5.807 1.00 0.00 H new ATOM 0 HA LEU A 117 -16.093 -0.292 6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -16.877 2.610 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -17.873 1.244 6.921 1.00 0.00 H new ATOM 0 HG LEU A 117 -15.092 1.848 7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -16.261 2.317 10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -16.783 3.415 8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -17.824 2.057 9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.531 0.022 9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -17.066 -0.328 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.520 -0.559 7.892 1.00 0.00 H new ATOM 1855 N THR A 118 -17.017 1.705 3.575 1.00 0.00 N ATOM 1856 CA THR A 118 -17.795 1.762 2.348 1.00 0.00 C ATOM 1857 C THR A 118 -17.072 1.008 1.229 1.00 0.00 C ATOM 1858 O THR A 118 -17.701 0.380 0.381 1.00 0.00 O ATOM 1859 CB THR A 118 -18.025 3.226 1.917 1.00 0.00 C ATOM 1860 OG1 THR A 118 -18.329 4.035 3.067 1.00 0.00 O ATOM 1861 CG2 THR A 118 -19.164 3.326 0.911 1.00 0.00 C ATOM 0 H THR A 118 -16.384 2.493 3.710 1.00 0.00 H new ATOM 0 HA THR A 118 -18.761 1.293 2.535 1.00 0.00 H new ATOM 0 HB THR A 118 -17.111 3.588 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 118 -18.472 4.963 2.786 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.305 4.368 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.922 2.736 0.027 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.081 2.946 1.361 1.00 0.00 H new ATOM 1869 N LEU A 119 -15.743 1.076 1.244 1.00 0.00 N ATOM 1870 CA LEU A 119 -14.900 0.372 0.278 1.00 0.00 C ATOM 1871 C LEU A 119 -15.208 -1.118 0.250 1.00 0.00 C ATOM 1872 O LEU A 119 -15.421 -1.700 -0.817 1.00 0.00 O ATOM 1873 CB LEU A 119 -13.430 0.575 0.643 1.00 0.00 C ATOM 1874 CG LEU A 119 -12.713 1.735 -0.053 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -12.220 1.302 -1.423 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -13.616 2.953 -0.183 1.00 0.00 C ATOM 0 H LEU A 119 -15.218 1.622 1.927 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.106 0.782 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.363 0.728 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -12.891 -0.345 0.417 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.859 2.016 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.712 2.136 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.526 0.469 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -13.068 0.990 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -13.074 3.756 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.497 2.692 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -13.925 3.284 0.808 1.00 0.00 H new ATOM 1888 N MET A 120 -15.243 -1.721 1.433 1.00 0.00 N ATOM 1889 CA MET A 120 -15.491 -3.157 1.566 1.00 0.00 C ATOM 1890 C MET A 120 -16.905 -3.523 1.123 1.00 0.00 C ATOM 1891 O MET A 120 -17.231 -4.696 0.957 1.00 0.00 O ATOM 1892 CB MET A 120 -15.262 -3.617 3.011 1.00 0.00 C ATOM 1893 CG MET A 120 -16.247 -3.032 4.013 1.00 0.00 C ATOM 1894 SD MET A 120 -15.989 -3.658 5.684 1.00 0.00 S ATOM 1895 CE MET A 120 -14.305 -3.133 5.997 1.00 0.00 C ATOM 0 H MET A 120 -15.102 -1.237 2.320 1.00 0.00 H new ATOM 0 HA MET A 120 -14.785 -3.670 0.914 1.00 0.00 H new ATOM 0 HB2 MET A 120 -15.324 -4.705 3.049 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.250 -3.345 3.311 1.00 0.00 H new ATOM 0 HG2 MET A 120 -16.154 -1.946 4.017 1.00 0.00 H new ATOM 0 HG3 MET A 120 -17.264 -3.263 3.695 1.00 0.00 H new ATOM 0 HE1 MET A 120 -14.110 -3.155 7.069 1.00 0.00 H new ATOM 0 HE2 MET A 120 -13.614 -3.805 5.489 1.00 0.00 H new ATOM 0 HE3 MET A 120 -14.165 -2.119 5.624 1.00 0.00 H new ATOM 1905 N ARG A 121 -17.747 -2.517 0.948 1.00 0.00 N ATOM 1906 CA ARG A 121 -19.103 -2.740 0.487 1.00 0.00 C ATOM 1907 C ARG A 121 -19.220 -2.453 -1.008 1.00 0.00 C ATOM 1908 O ARG A 121 -19.651 -3.300 -1.788 1.00 0.00 O ATOM 1909 CB ARG A 121 -20.082 -1.837 1.244 1.00 0.00 C ATOM 1910 CG ARG A 121 -21.546 -2.155 0.945 1.00 0.00 C ATOM 1911 CD ARG A 121 -22.109 -3.283 1.811 1.00 0.00 C ATOM 1912 NE ARG A 121 -21.203 -4.430 1.960 1.00 0.00 N ATOM 1913 CZ ARG A 121 -20.991 -5.370 1.031 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -21.584 -5.300 -0.156 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -20.174 -6.385 1.298 1.00 0.00 N ATOM 0 H ARG A 121 -17.513 -1.539 1.119 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.350 -3.785 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.906 -1.938 2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.882 -0.797 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.144 -1.257 1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.644 -2.429 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.343 -2.887 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.047 -3.628 1.376 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.696 -4.517 2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.210 -4.523 -0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.413 -6.023 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -19.713 -6.444 2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -20.008 -7.105 0.595 1.00 0.00 H new ATOM 1929 N SER A 122 -18.825 -1.248 -1.389 1.00 0.00 N ATOM 1930 CA SER A 122 -19.031 -0.744 -2.739 1.00 0.00 C ATOM 1931 C SER A 122 -18.057 -1.367 -3.740 1.00 0.00 C ATOM 1932 O SER A 122 -18.473 -1.903 -4.767 1.00 0.00 O ATOM 1933 CB SER A 122 -18.887 0.782 -2.735 1.00 0.00 C ATOM 1934 OG SER A 122 -19.224 1.348 -3.990 1.00 0.00 O ATOM 0 H SER A 122 -18.351 -0.590 -0.770 1.00 0.00 H new ATOM 0 HA SER A 122 -20.036 -1.023 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.528 1.205 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.862 1.049 -2.480 1.00 0.00 H new ATOM 0 HG SER A 122 -19.122 2.322 -3.948 1.00 0.00 H new ATOM 1940 N ILE A 123 -16.768 -1.311 -3.439 1.00 0.00 N ATOM 1941 CA ILE A 123 -15.754 -1.711 -4.409 1.00 0.00 C ATOM 1942 C ILE A 123 -15.357 -3.177 -4.255 1.00 0.00 C ATOM 1943 O ILE A 123 -15.361 -3.934 -5.230 1.00 0.00 O ATOM 1944 CB ILE A 123 -14.501 -0.812 -4.302 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -14.852 0.624 -4.711 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -13.370 -1.357 -5.161 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -13.671 1.572 -4.716 1.00 0.00 C ATOM 0 H ILE A 123 -16.400 -0.996 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 123 -16.198 -1.587 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 123 -14.161 -0.808 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -15.296 0.609 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -15.611 1.009 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -12.499 -0.708 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -13.111 -2.362 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -13.689 -1.392 -6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -14.003 2.566 -5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -13.239 1.620 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -12.919 1.213 -5.419 1.00 0.00 H new ATOM 1959 N VAL A 124 -15.033 -3.585 -3.036 1.00 0.00 N ATOM 1960 CA VAL A 124 -14.618 -4.959 -2.786 1.00 0.00 C ATOM 1961 C VAL A 124 -15.672 -5.710 -1.982 1.00 0.00 C ATOM 1962 O VAL A 124 -15.421 -6.167 -0.865 1.00 0.00 O ATOM 1963 CB VAL A 124 -13.246 -5.037 -2.076 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.125 -4.710 -3.050 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.188 -4.098 -0.878 1.00 0.00 C ATOM 0 H VAL A 124 -15.049 -2.989 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 124 -14.511 -5.437 -3.760 1.00 0.00 H new ATOM 0 HB VAL A 124 -13.117 -6.057 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.166 -4.769 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.139 -5.424 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.265 -3.702 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.211 -4.177 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.348 -3.073 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.964 -4.372 -0.163 1.00 0.00 H new ATOM 1975 N ASP A 125 -16.855 -5.825 -2.577 1.00 0.00 N ATOM 1976 CA ASP A 125 -17.991 -6.506 -1.969 1.00 0.00 C ATOM 1977 C ASP A 125 -17.616 -7.900 -1.472 1.00 0.00 C ATOM 1978 O ASP A 125 -17.749 -8.190 -0.282 1.00 0.00 O ATOM 1979 CB ASP A 125 -19.139 -6.586 -2.983 1.00 0.00 C ATOM 1980 CG ASP A 125 -18.662 -6.883 -4.396 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -18.491 -8.070 -4.743 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -18.444 -5.923 -5.164 1.00 0.00 O ATOM 0 H ASP A 125 -17.053 -5.445 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 125 -18.310 -5.931 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -19.839 -7.361 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -19.686 -5.643 -2.980 1.00 0.00 H new