USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0.234 (180deg=0.0999) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.867 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= -1.09 (180deg=-1.81) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.318 USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.155 (180deg=-0.302) USER MOD Single : A 30 GLN : amide:sc= -3.28 X(o=-3.3,f=-3.3!) USER MOD Single : A 32 MET CE :methyl -137:sc= -0.0879 (180deg=-1.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -86:sc= 0.0673 USER MOD Single : A 62 THR OG1 : rot 110:sc= 0.957 USER MOD Single : A 63 LYS NZ :NH3+ -123:sc= 1.19 (180deg=-0.551) USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000436) USER MOD Single : A 65 MET CE :methyl -153:sc= -2.87! (180deg=-5.16) USER MOD Single : A 68 ASN : amide:sc= -3.05 K(o=-3.1,f=-9.7!) USER MOD Single : A 70 LYS NZ :NH3+ -128:sc= -0.0092 (180deg=-0.276) USER MOD Single : A 71 LYS NZ :NH3+ -117:sc= -1.46 (180deg=-2.56) USER MOD Single : A 78 LYS NZ :NH3+ -133:sc= 0.919 (180deg=-2.03) USER MOD Single : A 80 GLN : amide:sc= -4.02 K(o=-4,f=-5!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 26:sc= -1.46! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 1.395 6.338 -12.650 1.00 0.00 N ATOM 134 CA LYS A 9 1.807 6.450 -11.255 1.00 0.00 C ATOM 135 C LYS A 9 1.449 7.819 -10.685 1.00 0.00 C ATOM 136 O LYS A 9 1.319 8.797 -11.422 1.00 0.00 O ATOM 137 CB LYS A 9 3.313 6.207 -11.129 1.00 0.00 C ATOM 138 CG LYS A 9 3.678 5.205 -10.044 1.00 0.00 C ATOM 139 CD LYS A 9 4.191 3.903 -10.638 1.00 0.00 C ATOM 140 CE LYS A 9 3.050 3.028 -11.132 1.00 0.00 C ATOM 141 NZ LYS A 9 2.723 3.290 -12.562 1.00 0.00 N ATOM 0 HA LYS A 9 1.273 5.692 -10.682 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.697 5.851 -12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.809 7.154 -10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.439 5.634 -9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.804 5.004 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.868 4.121 -11.464 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.767 3.362 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.318 1.979 -11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.166 3.206 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.063 2.564 -12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.283 4.228 -12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.595 3.261 -13.128 1.00 0.00 H new ATOM 155 N GLU A 10 1.297 7.880 -9.366 1.00 0.00 N ATOM 156 CA GLU A 10 0.960 9.127 -8.690 1.00 0.00 C ATOM 157 C GLU A 10 1.710 9.240 -7.363 1.00 0.00 C ATOM 158 O GLU A 10 1.470 8.460 -6.442 1.00 0.00 O ATOM 159 CB GLU A 10 -0.549 9.204 -8.445 1.00 0.00 C ATOM 160 CG GLU A 10 -1.269 10.157 -9.386 1.00 0.00 C ATOM 161 CD GLU A 10 -1.202 9.708 -10.833 1.00 0.00 C ATOM 162 OE1 GLU A 10 -1.565 8.545 -11.112 1.00 0.00 O ATOM 163 OE2 GLU A 10 -0.785 10.518 -11.687 1.00 0.00 O ATOM 0 H GLU A 10 1.402 7.079 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 10 1.260 9.956 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.978 8.208 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.726 9.519 -7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.313 10.241 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.830 11.151 -9.297 1.00 0.00 H new ATOM 170 N PRO A 11 2.635 10.211 -7.241 1.00 0.00 N ATOM 171 CA PRO A 11 3.414 10.407 -6.019 1.00 0.00 C ATOM 172 C PRO A 11 2.621 11.134 -4.940 1.00 0.00 C ATOM 173 O PRO A 11 2.276 12.306 -5.091 1.00 0.00 O ATOM 174 CB PRO A 11 4.603 11.272 -6.468 1.00 0.00 C ATOM 175 CG PRO A 11 4.447 11.470 -7.946 1.00 0.00 C ATOM 176 CD PRO A 11 3.009 11.185 -8.270 1.00 0.00 C ATOM 0 HA PRO A 11 3.708 9.455 -5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.606 12.229 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.549 10.781 -6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.713 12.488 -8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.108 10.802 -8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.396 12.085 -8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.893 10.778 -9.274 1.00 0.00 H new ATOM 184 N ALA A 12 2.345 10.432 -3.849 1.00 0.00 N ATOM 185 CA ALA A 12 1.601 11.008 -2.737 1.00 0.00 C ATOM 186 C ALA A 12 2.211 10.580 -1.407 1.00 0.00 C ATOM 187 O ALA A 12 2.747 9.479 -1.285 1.00 0.00 O ATOM 188 CB ALA A 12 0.138 10.607 -2.816 1.00 0.00 C ATOM 0 H ALA A 12 2.626 9.461 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 12 1.661 12.094 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.405 11.045 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.288 10.967 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.056 9.521 -2.774 1.00 0.00 H new ATOM 194 N THR A 13 2.143 11.463 -0.417 1.00 0.00 N ATOM 195 CA THR A 13 2.708 11.177 0.897 1.00 0.00 C ATOM 196 C THR A 13 1.676 10.563 1.839 1.00 0.00 C ATOM 197 O THR A 13 0.763 11.244 2.306 1.00 0.00 O ATOM 198 CB THR A 13 3.274 12.457 1.515 1.00 0.00 C ATOM 199 OG1 THR A 13 2.278 13.463 1.584 1.00 0.00 O ATOM 200 CG2 THR A 13 4.447 13.024 0.747 1.00 0.00 C ATOM 0 H THR A 13 1.704 12.380 -0.498 1.00 0.00 H new ATOM 0 HA THR A 13 3.508 10.450 0.758 1.00 0.00 H new ATOM 0 HB THR A 13 3.616 12.171 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.658 14.273 1.983 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.800 13.930 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.252 12.290 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.136 13.261 -0.270 1.00 0.00 H new ATOM 208 N LEU A 14 1.843 9.277 2.131 1.00 0.00 N ATOM 209 CA LEU A 14 0.945 8.573 3.037 1.00 0.00 C ATOM 210 C LEU A 14 1.269 8.947 4.476 1.00 0.00 C ATOM 211 O LEU A 14 2.387 8.734 4.944 1.00 0.00 O ATOM 212 CB LEU A 14 1.066 7.059 2.849 1.00 0.00 C ATOM 213 CG LEU A 14 0.116 6.222 3.714 1.00 0.00 C ATOM 214 CD1 LEU A 14 -0.911 5.501 2.851 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.897 5.226 4.560 1.00 0.00 C ATOM 0 H LEU A 14 2.594 8.701 1.752 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.080 8.867 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.883 6.822 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.091 6.761 3.069 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.417 6.898 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.573 4.914 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.497 6.233 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.399 4.839 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.205 4.642 5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.461 4.558 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.586 5.764 5.212 1.00 0.00 H new ATOM 227 N ILE A 15 0.298 9.524 5.169 1.00 0.00 N ATOM 228 CA ILE A 15 0.508 9.944 6.550 1.00 0.00 C ATOM 229 C ILE A 15 0.521 8.761 7.517 1.00 0.00 C ATOM 230 O ILE A 15 1.339 8.717 8.435 1.00 0.00 O ATOM 231 CB ILE A 15 -0.559 10.960 7.009 1.00 0.00 C ATOM 232 CG1 ILE A 15 -1.948 10.322 7.014 1.00 0.00 C ATOM 233 CG2 ILE A 15 -0.539 12.188 6.113 1.00 0.00 C ATOM 234 CD1 ILE A 15 -2.252 9.530 8.269 1.00 0.00 C ATOM 0 H ILE A 15 -0.636 9.712 4.803 1.00 0.00 H new ATOM 0 HA ILE A 15 1.487 10.422 6.570 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.324 11.269 8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.698 11.105 6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.039 9.664 6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.297 12.896 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.443 12.658 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.749 11.892 5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.255 9.108 8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.526 8.724 8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.195 10.187 9.137 1.00 0.00 H new ATOM 246 N LYS A 16 -0.392 7.811 7.323 1.00 0.00 N ATOM 247 CA LYS A 16 -0.465 6.651 8.209 1.00 0.00 C ATOM 248 C LYS A 16 -1.533 5.661 7.751 1.00 0.00 C ATOM 249 O LYS A 16 -2.421 6.003 6.970 1.00 0.00 O ATOM 250 CB LYS A 16 -0.765 7.107 9.642 1.00 0.00 C ATOM 251 CG LYS A 16 -0.806 5.975 10.658 1.00 0.00 C ATOM 252 CD LYS A 16 -1.136 6.490 12.049 1.00 0.00 C ATOM 253 CE LYS A 16 -1.257 5.350 13.049 1.00 0.00 C ATOM 254 NZ LYS A 16 -1.436 5.850 14.440 1.00 0.00 N ATOM 0 H LYS A 16 -1.082 7.820 6.572 1.00 0.00 H new ATOM 0 HA LYS A 16 0.500 6.146 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.008 7.829 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.723 7.626 9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.550 5.239 10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.157 5.465 10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.360 7.182 12.376 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.070 7.050 12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.103 4.718 12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.364 4.727 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.515 5.043 15.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.617 6.433 14.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.302 6.424 14.494 1.00 0.00 H new ATOM 268 N ALA A 17 -1.438 4.434 8.255 1.00 0.00 N ATOM 269 CA ALA A 17 -2.393 3.385 7.916 1.00 0.00 C ATOM 270 C ALA A 17 -3.473 3.265 8.988 1.00 0.00 C ATOM 271 O ALA A 17 -3.217 3.507 10.167 1.00 0.00 O ATOM 272 CB ALA A 17 -1.673 2.056 7.740 1.00 0.00 C ATOM 0 H ALA A 17 -0.706 4.141 8.902 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.876 3.652 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.396 1.281 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.939 2.143 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.167 1.791 8.668 1.00 0.00 H new ATOM 278 N ILE A 18 -4.681 2.891 8.573 1.00 0.00 N ATOM 279 CA ILE A 18 -5.791 2.746 9.508 1.00 0.00 C ATOM 280 C ILE A 18 -5.965 1.293 9.949 1.00 0.00 C ATOM 281 O ILE A 18 -5.582 0.926 11.059 1.00 0.00 O ATOM 282 CB ILE A 18 -7.114 3.254 8.901 1.00 0.00 C ATOM 283 CG1 ILE A 18 -6.926 4.655 8.315 1.00 0.00 C ATOM 284 CG2 ILE A 18 -8.213 3.257 9.953 1.00 0.00 C ATOM 285 CD1 ILE A 18 -8.077 5.106 7.442 1.00 0.00 C ATOM 0 H ILE A 18 -4.914 2.684 7.602 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.545 3.354 10.378 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.410 2.581 8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.799 5.367 9.131 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.007 4.674 7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.141 3.618 9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.360 2.244 10.328 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.926 3.911 10.777 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.875 6.107 7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.191 4.416 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.995 5.120 8.029 1.00 0.00 H new ATOM 297 N ASP A 19 -6.550 0.471 9.079 1.00 0.00 N ATOM 298 CA ASP A 19 -6.776 -0.935 9.395 1.00 0.00 C ATOM 299 C ASP A 19 -6.027 -1.850 8.432 1.00 0.00 C ATOM 300 O ASP A 19 -6.509 -2.930 8.090 1.00 0.00 O ATOM 301 CB ASP A 19 -8.271 -1.252 9.353 1.00 0.00 C ATOM 302 CG ASP A 19 -8.620 -2.502 10.137 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.972 -2.751 11.175 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.540 -3.232 9.713 1.00 0.00 O ATOM 0 H ASP A 19 -6.874 0.754 8.154 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.395 -1.115 10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.830 -0.407 9.755 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.584 -1.378 8.316 1.00 0.00 H new ATOM 309 N GLY A 20 -4.849 -1.418 7.998 1.00 0.00 N ATOM 310 CA GLY A 20 -4.060 -2.220 7.079 1.00 0.00 C ATOM 311 C GLY A 20 -4.364 -1.906 5.626 1.00 0.00 C ATOM 312 O GLY A 20 -3.451 -1.757 4.814 1.00 0.00 O ATOM 0 H GLY A 20 -4.426 -0.529 8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.001 -2.049 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.252 -3.276 7.267 1.00 0.00 H new ATOM 316 N ASP A 21 -5.648 -1.805 5.298 1.00 0.00 N ATOM 317 CA ASP A 21 -6.068 -1.504 3.934 1.00 0.00 C ATOM 318 C ASP A 21 -6.348 -0.015 3.779 1.00 0.00 C ATOM 319 O ASP A 21 -5.744 0.658 2.944 1.00 0.00 O ATOM 320 CB ASP A 21 -7.316 -2.313 3.572 1.00 0.00 C ATOM 321 CG ASP A 21 -6.984 -3.573 2.797 1.00 0.00 C ATOM 322 OD1 ASP A 21 -6.762 -4.622 3.436 1.00 0.00 O ATOM 323 OD2 ASP A 21 -6.948 -3.510 1.550 1.00 0.00 O ATOM 0 H ASP A 21 -6.416 -1.927 5.958 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.260 -1.780 3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.849 -2.581 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.989 -1.692 2.980 1.00 0.00 H new ATOM 328 N THR A 22 -7.262 0.496 4.596 1.00 0.00 N ATOM 329 CA THR A 22 -7.617 1.909 4.557 1.00 0.00 C ATOM 330 C THR A 22 -6.466 2.762 5.079 1.00 0.00 C ATOM 331 O THR A 22 -6.186 2.777 6.278 1.00 0.00 O ATOM 332 CB THR A 22 -8.877 2.164 5.386 1.00 0.00 C ATOM 333 OG1 THR A 22 -8.767 1.566 6.666 1.00 0.00 O ATOM 334 CG2 THR A 22 -10.138 1.635 4.735 1.00 0.00 C ATOM 0 H THR A 22 -7.771 -0.048 5.293 1.00 0.00 H new ATOM 0 HA THR A 22 -7.816 2.186 3.522 1.00 0.00 H new ATOM 0 HB THR A 22 -8.956 3.248 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.582 1.742 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.995 1.848 5.374 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.278 2.117 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.050 0.558 4.594 1.00 0.00 H new ATOM 342 N VAL A 23 -5.794 3.465 4.173 1.00 0.00 N ATOM 343 CA VAL A 23 -4.668 4.311 4.548 1.00 0.00 C ATOM 344 C VAL A 23 -4.804 5.713 3.964 1.00 0.00 C ATOM 345 O VAL A 23 -5.251 5.883 2.830 1.00 0.00 O ATOM 346 CB VAL A 23 -3.333 3.699 4.079 1.00 0.00 C ATOM 347 CG1 VAL A 23 -3.107 2.344 4.731 1.00 0.00 C ATOM 348 CG2 VAL A 23 -3.300 3.576 2.562 1.00 0.00 C ATOM 0 H VAL A 23 -6.009 3.465 3.176 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.673 4.378 5.636 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.526 4.366 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.160 1.928 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.080 2.461 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.919 1.670 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.349 3.142 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.117 2.934 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.411 4.564 2.114 1.00 0.00 H new ATOM 358 N LYS A 24 -4.407 6.717 4.742 1.00 0.00 N ATOM 359 CA LYS A 24 -4.477 8.102 4.292 1.00 0.00 C ATOM 360 C LYS A 24 -3.294 8.421 3.383 1.00 0.00 C ATOM 361 O LYS A 24 -2.170 7.987 3.634 1.00 0.00 O ATOM 362 CB LYS A 24 -4.502 9.056 5.489 1.00 0.00 C ATOM 363 CG LYS A 24 -4.275 10.513 5.114 1.00 0.00 C ATOM 364 CD LYS A 24 -5.332 11.010 4.137 1.00 0.00 C ATOM 365 CE LYS A 24 -6.114 12.182 4.710 1.00 0.00 C ATOM 366 NZ LYS A 24 -7.410 12.383 4.005 1.00 0.00 N ATOM 0 H LYS A 24 -4.035 6.597 5.684 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.399 8.236 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.463 8.966 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.737 8.750 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.292 11.128 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.286 10.625 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.854 11.311 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.017 10.197 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.300 12.010 5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.515 13.090 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.708 13.375 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.296 12.153 2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.132 11.762 4.423 1.00 0.00 H new ATOM 380 N LEU A 25 -3.560 9.165 2.319 1.00 0.00 N ATOM 381 CA LEU A 25 -2.524 9.526 1.358 1.00 0.00 C ATOM 382 C LEU A 25 -2.697 10.959 0.856 1.00 0.00 C ATOM 383 O LEU A 25 -3.702 11.271 0.222 1.00 0.00 O ATOM 384 CB LEU A 25 -2.587 8.571 0.166 1.00 0.00 C ATOM 385 CG LEU A 25 -1.425 7.585 0.021 1.00 0.00 C ATOM 386 CD1 LEU A 25 -1.945 6.204 -0.350 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.448 8.068 -1.036 1.00 0.00 C ATOM 0 H LEU A 25 -4.486 9.532 2.098 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.559 9.453 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.513 8.000 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.646 9.166 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.907 7.523 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.107 5.514 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.618 5.847 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.483 6.260 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.372 7.355 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.961 8.154 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.052 9.042 -0.748 1.00 0.00 H new ATOM 399 N MET A 26 -1.701 11.811 1.092 1.00 0.00 N ATOM 400 CA MET A 26 -1.758 13.188 0.605 1.00 0.00 C ATOM 401 C MET A 26 -1.558 13.167 -0.905 1.00 0.00 C ATOM 402 O MET A 26 -0.436 13.033 -1.393 1.00 0.00 O ATOM 403 CB MET A 26 -0.672 14.040 1.266 1.00 0.00 C ATOM 404 CG MET A 26 -1.029 15.516 1.360 1.00 0.00 C ATOM 405 SD MET A 26 -0.982 16.141 3.052 1.00 0.00 S ATOM 406 CE MET A 26 -1.599 17.805 2.814 1.00 0.00 C ATOM 0 H MET A 26 -0.855 11.576 1.611 1.00 0.00 H new ATOM 0 HA MET A 26 -2.725 13.626 0.853 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.481 13.656 2.268 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.255 13.934 0.702 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.337 16.092 0.745 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.026 15.671 0.948 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.629 18.322 3.773 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.941 18.343 2.132 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.603 17.764 2.392 1.00 0.00 H new ATOM 416 N TYR A 27 -2.660 13.250 -1.639 1.00 0.00 N ATOM 417 CA TYR A 27 -2.625 13.190 -3.093 1.00 0.00 C ATOM 418 C TYR A 27 -2.588 14.579 -3.727 1.00 0.00 C ATOM 419 O TYR A 27 -3.582 15.304 -3.723 1.00 0.00 O ATOM 420 CB TYR A 27 -3.844 12.407 -3.581 1.00 0.00 C ATOM 421 CG TYR A 27 -3.913 12.228 -5.076 1.00 0.00 C ATOM 422 CD1 TYR A 27 -4.287 13.278 -5.899 1.00 0.00 C ATOM 423 CD2 TYR A 27 -3.622 11.004 -5.661 1.00 0.00 C ATOM 424 CE1 TYR A 27 -4.368 13.119 -7.265 1.00 0.00 C ATOM 425 CE2 TYR A 27 -3.701 10.832 -7.028 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.075 11.892 -7.828 1.00 0.00 C ATOM 427 OH TYR A 27 -4.155 11.728 -9.191 1.00 0.00 O ATOM 0 H TYR A 27 -3.595 13.360 -1.247 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.708 12.686 -3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.842 11.424 -3.110 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.747 12.919 -3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.519 14.238 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.329 10.173 -5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.659 13.949 -7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.471 9.873 -7.469 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.954 12.578 -9.635 1.00 0.00 H new ATOM 437 N LYS A 28 -1.429 14.932 -4.283 1.00 0.00 N ATOM 438 CA LYS A 28 -1.240 16.225 -4.942 1.00 0.00 C ATOM 439 C LYS A 28 -1.807 17.370 -4.106 1.00 0.00 C ATOM 440 O LYS A 28 -2.526 18.229 -4.618 1.00 0.00 O ATOM 441 CB LYS A 28 -1.895 16.211 -6.325 1.00 0.00 C ATOM 442 CG LYS A 28 -1.017 16.797 -7.419 1.00 0.00 C ATOM 443 CD LYS A 28 0.270 16.005 -7.583 1.00 0.00 C ATOM 444 CE LYS A 28 1.469 16.921 -7.771 1.00 0.00 C ATOM 445 NZ LYS A 28 1.747 17.728 -6.550 1.00 0.00 N ATOM 0 H LYS A 28 -0.601 14.336 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.168 16.390 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.151 15.184 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.829 16.771 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.564 16.804 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.780 17.834 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.425 15.376 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.182 15.339 -8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.347 16.324 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.288 17.588 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.678 18.183 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.014 18.458 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.744 17.107 -5.715 1.00 0.00 H new ATOM 459 N GLY A 29 -1.480 17.377 -2.818 1.00 0.00 N ATOM 460 CA GLY A 29 -1.968 18.422 -1.938 1.00 0.00 C ATOM 461 C GLY A 29 -3.345 18.120 -1.377 1.00 0.00 C ATOM 462 O GLY A 29 -3.789 18.767 -0.428 1.00 0.00 O ATOM 0 H GLY A 29 -0.887 16.679 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.266 18.555 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.001 19.365 -2.484 1.00 0.00 H new ATOM 466 N GLN A 30 -4.024 17.136 -1.962 1.00 0.00 N ATOM 467 CA GLN A 30 -5.353 16.753 -1.508 1.00 0.00 C ATOM 468 C GLN A 30 -5.355 15.285 -1.068 1.00 0.00 C ATOM 469 O GLN A 30 -5.434 14.376 -1.892 1.00 0.00 O ATOM 470 CB GLN A 30 -6.379 17.036 -2.632 1.00 0.00 C ATOM 471 CG GLN A 30 -7.265 15.863 -3.049 1.00 0.00 C ATOM 472 CD GLN A 30 -6.691 15.080 -4.211 1.00 0.00 C ATOM 473 OE1 GLN A 30 -6.108 15.651 -5.131 1.00 0.00 O ATOM 474 NE2 GLN A 30 -6.859 13.764 -4.176 1.00 0.00 N ATOM 0 H GLN A 30 -3.674 16.592 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.641 17.345 -0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.023 17.854 -2.310 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.837 17.385 -3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.401 15.195 -2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.252 16.237 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.349 13.333 -3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.498 13.183 -4.933 1.00 0.00 H new ATOM 483 N PRO A 31 -5.236 15.037 0.250 1.00 0.00 N ATOM 484 CA PRO A 31 -5.202 13.680 0.804 1.00 0.00 C ATOM 485 C PRO A 31 -6.470 12.881 0.538 1.00 0.00 C ATOM 486 O PRO A 31 -7.580 13.415 0.551 1.00 0.00 O ATOM 487 CB PRO A 31 -5.020 13.902 2.311 1.00 0.00 C ATOM 488 CG PRO A 31 -4.473 15.280 2.429 1.00 0.00 C ATOM 489 CD PRO A 31 -5.090 16.052 1.302 1.00 0.00 C ATOM 0 HA PRO A 31 -4.408 13.093 0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.967 13.806 2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.338 13.168 2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.726 15.722 3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.386 15.279 2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.051 16.482 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.454 16.877 0.982 1.00 0.00 H new ATOM 497 N MET A 32 -6.280 11.589 0.310 1.00 0.00 N ATOM 498 CA MET A 32 -7.376 10.665 0.052 1.00 0.00 C ATOM 499 C MET A 32 -7.049 9.310 0.659 1.00 0.00 C ATOM 500 O MET A 32 -5.890 8.898 0.679 1.00 0.00 O ATOM 501 CB MET A 32 -7.613 10.523 -1.452 1.00 0.00 C ATOM 502 CG MET A 32 -8.435 11.655 -2.046 1.00 0.00 C ATOM 503 SD MET A 32 -10.178 11.559 -1.595 1.00 0.00 S ATOM 504 CE MET A 32 -10.951 12.096 -3.120 1.00 0.00 C ATOM 0 H MET A 32 -5.359 11.151 0.299 1.00 0.00 H new ATOM 0 HA MET A 32 -8.285 11.056 0.508 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.650 10.478 -1.961 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.120 9.577 -1.644 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.029 12.609 -1.710 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.343 11.634 -3.132 1.00 0.00 H new ATOM 0 HE1 MET A 32 -11.764 12.785 -2.893 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.213 12.599 -3.745 1.00 0.00 H new ATOM 0 HE3 MET A 32 -11.347 11.231 -3.652 1.00 0.00 H new ATOM 514 N THR A 33 -8.063 8.622 1.162 1.00 0.00 N ATOM 515 CA THR A 33 -7.858 7.316 1.772 1.00 0.00 C ATOM 516 C THR A 33 -7.799 6.231 0.703 1.00 0.00 C ATOM 517 O THR A 33 -8.752 6.037 -0.048 1.00 0.00 O ATOM 518 CB THR A 33 -8.978 7.014 2.767 1.00 0.00 C ATOM 519 OG1 THR A 33 -9.035 8.010 3.773 1.00 0.00 O ATOM 520 CG2 THR A 33 -8.823 5.674 3.455 1.00 0.00 C ATOM 0 H THR A 33 -9.031 8.944 1.160 1.00 0.00 H new ATOM 0 HA THR A 33 -6.908 7.330 2.306 1.00 0.00 H new ATOM 0 HB THR A 33 -9.894 6.996 2.176 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.759 7.801 4.400 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.651 5.523 4.148 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.824 4.880 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.882 5.654 4.005 1.00 0.00 H new ATOM 528 N PHE A 34 -6.675 5.524 0.638 1.00 0.00 N ATOM 529 CA PHE A 34 -6.510 4.462 -0.345 1.00 0.00 C ATOM 530 C PHE A 34 -6.629 3.093 0.313 1.00 0.00 C ATOM 531 O PHE A 34 -5.918 2.787 1.270 1.00 0.00 O ATOM 532 CB PHE A 34 -5.172 4.590 -1.072 1.00 0.00 C ATOM 533 CG PHE A 34 -5.061 5.860 -1.856 1.00 0.00 C ATOM 534 CD1 PHE A 34 -5.075 7.074 -1.202 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.956 5.841 -3.238 1.00 0.00 C ATOM 536 CE1 PHE A 34 -4.987 8.258 -1.904 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.870 7.025 -3.950 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.885 8.235 -3.278 1.00 0.00 C ATOM 0 H PHE A 34 -5.871 5.666 1.250 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.308 4.562 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.362 4.545 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.045 3.741 -1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.156 7.098 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.941 4.897 -3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.998 9.201 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.791 7.005 -5.027 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.817 9.161 -3.830 1.00 0.00 H new ATOM 548 N ARG A 35 -7.543 2.278 -0.199 1.00 0.00 N ATOM 549 CA ARG A 35 -7.771 0.945 0.343 1.00 0.00 C ATOM 550 C ARG A 35 -7.565 -0.124 -0.727 1.00 0.00 C ATOM 551 O ARG A 35 -8.187 -0.083 -1.788 1.00 0.00 O ATOM 552 CB ARG A 35 -9.189 0.856 0.913 1.00 0.00 C ATOM 553 CG ARG A 35 -9.565 -0.527 1.423 1.00 0.00 C ATOM 554 CD ARG A 35 -10.958 -0.930 0.967 1.00 0.00 C ATOM 555 NE ARG A 35 -11.018 -1.164 -0.473 1.00 0.00 N ATOM 556 CZ ARG A 35 -12.150 -1.186 -1.176 1.00 0.00 C ATOM 557 NH1 ARG A 35 -13.316 -0.988 -0.573 1.00 0.00 N ATOM 558 NH2 ARG A 35 -12.114 -1.405 -2.483 1.00 0.00 N ATOM 0 H ARG A 35 -8.140 2.518 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.049 0.767 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.287 1.572 1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.899 1.153 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.839 -1.257 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.520 -0.539 2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.264 -1.834 1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.668 -0.148 1.237 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.141 -1.320 -0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.348 -0.818 0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.180 -1.006 -1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.220 -1.557 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.980 -1.422 -3.021 1.00 0.00 H new ATOM 572 N LEU A 36 -6.697 -1.088 -0.433 1.00 0.00 N ATOM 573 CA LEU A 36 -6.418 -2.175 -1.366 1.00 0.00 C ATOM 574 C LEU A 36 -5.473 -3.199 -0.752 1.00 0.00 C ATOM 575 O LEU A 36 -5.638 -4.402 -0.949 1.00 0.00 O ATOM 576 CB LEU A 36 -5.819 -1.638 -2.664 1.00 0.00 C ATOM 577 CG LEU A 36 -5.709 -2.668 -3.791 1.00 0.00 C ATOM 578 CD1 LEU A 36 -7.040 -2.814 -4.514 1.00 0.00 C ATOM 579 CD2 LEU A 36 -4.604 -2.281 -4.766 1.00 0.00 C ATOM 0 H LEU A 36 -6.176 -1.139 0.442 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.366 -2.664 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.428 -0.803 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.825 -1.242 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.452 -3.632 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.942 -3.550 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.803 -3.143 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.330 -1.854 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.542 -3.026 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.826 -1.306 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.652 -2.234 -4.237 1.00 0.00 H new ATOM 900 N PRO A 56 2.567 -4.197 14.129 1.00 0.00 N ATOM 901 CA PRO A 56 3.764 -3.401 13.829 1.00 0.00 C ATOM 902 C PRO A 56 4.125 -3.371 12.344 1.00 0.00 C ATOM 903 O PRO A 56 4.877 -2.504 11.900 1.00 0.00 O ATOM 904 CB PRO A 56 4.854 -4.131 14.611 1.00 0.00 C ATOM 905 CG PRO A 56 4.140 -4.684 15.790 1.00 0.00 C ATOM 906 CD PRO A 56 2.791 -5.101 15.277 1.00 0.00 C ATOM 0 HA PRO A 56 3.623 -2.354 14.096 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.312 -4.920 14.015 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.653 -3.453 14.910 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.679 -5.531 16.214 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.047 -3.938 16.579 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.783 -6.147 14.972 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.018 -4.984 16.037 1.00 0.00 H new ATOM 914 N GLU A 57 3.623 -4.339 11.588 1.00 0.00 N ATOM 915 CA GLU A 57 3.936 -4.436 10.165 1.00 0.00 C ATOM 916 C GLU A 57 2.894 -3.762 9.270 1.00 0.00 C ATOM 917 O GLU A 57 3.211 -3.338 8.159 1.00 0.00 O ATOM 918 CB GLU A 57 4.076 -5.906 9.769 1.00 0.00 C ATOM 919 CG GLU A 57 4.618 -6.783 10.885 1.00 0.00 C ATOM 920 CD GLU A 57 6.037 -6.419 11.278 1.00 0.00 C ATOM 921 OE1 GLU A 57 6.764 -5.866 10.425 1.00 0.00 O ATOM 922 OE2 GLU A 57 6.420 -6.685 12.436 1.00 0.00 O ATOM 0 H GLU A 57 2.998 -5.068 11.934 1.00 0.00 H new ATOM 0 HA GLU A 57 4.875 -3.905 10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.102 -6.285 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.737 -5.980 8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.970 -6.696 11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.589 -7.826 10.569 1.00 0.00 H new ATOM 929 N ALA A 58 1.651 -3.692 9.732 1.00 0.00 N ATOM 930 CA ALA A 58 0.582 -3.101 8.937 1.00 0.00 C ATOM 931 C ALA A 58 0.417 -1.608 9.188 1.00 0.00 C ATOM 932 O ALA A 58 0.628 -0.799 8.290 1.00 0.00 O ATOM 933 CB ALA A 58 -0.728 -3.826 9.200 1.00 0.00 C ATOM 0 H ALA A 58 1.360 -4.035 10.647 1.00 0.00 H new ATOM 0 HA ALA A 58 0.862 -3.217 7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.520 -3.376 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.622 -4.877 8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.983 -3.745 10.257 1.00 0.00 H new ATOM 939 N SER A 59 0.020 -1.249 10.402 1.00 0.00 N ATOM 940 CA SER A 59 -0.192 0.152 10.750 1.00 0.00 C ATOM 941 C SER A 59 1.124 0.852 11.075 1.00 0.00 C ATOM 942 O SER A 59 1.233 2.072 10.953 1.00 0.00 O ATOM 943 CB SER A 59 -1.148 0.263 11.938 1.00 0.00 C ATOM 944 OG SER A 59 -1.061 -0.879 12.771 1.00 0.00 O ATOM 0 H SER A 59 -0.162 -1.906 11.161 1.00 0.00 H new ATOM 0 HA SER A 59 -0.633 0.646 9.884 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.913 1.157 12.516 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.170 0.376 11.577 1.00 0.00 H new ATOM 0 HG SER A 59 -1.659 -1.578 12.432 1.00 0.00 H new ATOM 950 N ALA A 60 2.115 0.078 11.498 1.00 0.00 N ATOM 951 CA ALA A 60 3.414 0.634 11.849 1.00 0.00 C ATOM 952 C ALA A 60 4.351 0.695 10.647 1.00 0.00 C ATOM 953 O ALA A 60 4.861 1.764 10.314 1.00 0.00 O ATOM 954 CB ALA A 60 4.042 -0.171 12.973 1.00 0.00 C ATOM 0 H ALA A 60 2.044 -0.934 11.606 1.00 0.00 H new ATOM 0 HA ALA A 60 3.255 1.658 12.188 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.013 0.254 13.227 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.393 -0.141 13.848 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.171 -1.205 12.652 1.00 0.00 H new ATOM 960 N PHE A 61 4.584 -0.445 9.996 1.00 0.00 N ATOM 961 CA PHE A 61 5.475 -0.476 8.840 1.00 0.00 C ATOM 962 C PHE A 61 4.975 0.453 7.743 1.00 0.00 C ATOM 963 O PHE A 61 5.760 1.131 7.082 1.00 0.00 O ATOM 964 CB PHE A 61 5.608 -1.897 8.299 1.00 0.00 C ATOM 965 CG PHE A 61 6.988 -2.216 7.804 1.00 0.00 C ATOM 966 CD1 PHE A 61 7.997 -2.545 8.693 1.00 0.00 C ATOM 967 CD2 PHE A 61 7.277 -2.179 6.450 1.00 0.00 C ATOM 968 CE1 PHE A 61 9.270 -2.835 8.242 1.00 0.00 C ATOM 969 CE2 PHE A 61 8.548 -2.469 5.992 1.00 0.00 C ATOM 970 CZ PHE A 61 9.545 -2.797 6.888 1.00 0.00 C ATOM 0 H PHE A 61 4.175 -1.345 10.246 1.00 0.00 H new ATOM 0 HA PHE A 61 6.456 -0.131 9.166 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.338 -2.604 9.084 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.896 -2.037 7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.786 -2.575 9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.501 -1.921 5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.048 -3.091 8.946 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.761 -2.439 4.934 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.539 -3.024 6.532 1.00 0.00 H new ATOM 980 N THR A 62 3.663 0.479 7.558 1.00 0.00 N ATOM 981 CA THR A 62 3.052 1.325 6.544 1.00 0.00 C ATOM 982 C THR A 62 3.395 2.795 6.789 1.00 0.00 C ATOM 983 O THR A 62 4.098 3.421 5.994 1.00 0.00 O ATOM 984 CB THR A 62 1.534 1.113 6.546 1.00 0.00 C ATOM 985 OG1 THR A 62 1.197 -0.063 5.831 1.00 0.00 O ATOM 986 CG2 THR A 62 0.755 2.258 5.931 1.00 0.00 C ATOM 0 H THR A 62 3.000 -0.077 8.098 1.00 0.00 H new ATOM 0 HA THR A 62 3.446 1.050 5.566 1.00 0.00 H new ATOM 0 HB THR A 62 1.259 1.039 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.875 -0.745 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.311 2.035 5.969 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.954 3.174 6.488 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.061 2.390 4.893 1.00 0.00 H new ATOM 994 N LYS A 63 2.890 3.338 7.891 1.00 0.00 N ATOM 995 CA LYS A 63 3.132 4.729 8.249 1.00 0.00 C ATOM 996 C LYS A 63 4.623 5.015 8.440 1.00 0.00 C ATOM 997 O LYS A 63 5.110 6.083 8.068 1.00 0.00 O ATOM 998 CB LYS A 63 2.371 5.063 9.531 1.00 0.00 C ATOM 999 CG LYS A 63 2.551 6.498 9.995 1.00 0.00 C ATOM 1000 CD LYS A 63 3.693 6.619 10.992 1.00 0.00 C ATOM 1001 CE LYS A 63 4.671 7.712 10.594 1.00 0.00 C ATOM 1002 NZ LYS A 63 4.409 8.984 11.324 1.00 0.00 N ATOM 0 H LYS A 63 2.306 2.831 8.556 1.00 0.00 H new ATOM 0 HA LYS A 63 2.778 5.356 7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.310 4.873 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.700 4.391 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.747 7.138 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.627 6.853 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.291 6.833 11.982 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.219 5.667 11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.689 7.380 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.601 7.888 9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.245 9.750 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.568 8.872 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.230 9.219 11.917 1.00 0.00 H new ATOM 1016 N LYS A 64 5.340 4.066 9.035 1.00 0.00 N ATOM 1017 CA LYS A 64 6.771 4.231 9.289 1.00 0.00 C ATOM 1018 C LYS A 64 7.560 4.423 7.996 1.00 0.00 C ATOM 1019 O LYS A 64 8.208 5.451 7.801 1.00 0.00 O ATOM 1020 CB LYS A 64 7.322 3.024 10.050 1.00 0.00 C ATOM 1021 CG LYS A 64 7.053 3.071 11.547 1.00 0.00 C ATOM 1022 CD LYS A 64 8.289 3.503 12.321 1.00 0.00 C ATOM 1023 CE LYS A 64 8.122 3.270 13.814 1.00 0.00 C ATOM 1024 NZ LYS A 64 7.057 4.134 14.396 1.00 0.00 N ATOM 0 H LYS A 64 4.956 3.175 9.351 1.00 0.00 H new ATOM 0 HA LYS A 64 6.888 5.130 9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.883 2.115 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.398 2.961 9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.235 3.763 11.749 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.732 2.088 11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.157 2.951 11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.484 4.559 12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.878 2.223 13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.067 3.468 14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.986 3.957 15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.293 5.134 14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.147 3.915 13.943 1.00 0.00 H new ATOM 1038 N MET A 65 7.516 3.421 7.123 1.00 0.00 N ATOM 1039 CA MET A 65 8.243 3.471 5.855 1.00 0.00 C ATOM 1040 C MET A 65 8.041 4.805 5.138 1.00 0.00 C ATOM 1041 O MET A 65 9.001 5.423 4.679 1.00 0.00 O ATOM 1042 CB MET A 65 7.807 2.319 4.948 1.00 0.00 C ATOM 1043 CG MET A 65 8.958 1.669 4.197 1.00 0.00 C ATOM 1044 SD MET A 65 8.451 0.980 2.611 1.00 0.00 S ATOM 1045 CE MET A 65 9.359 -0.563 2.604 1.00 0.00 C ATOM 0 H MET A 65 6.984 2.563 7.269 1.00 0.00 H new ATOM 0 HA MET A 65 9.305 3.371 6.082 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.304 1.563 5.551 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.077 2.690 4.228 1.00 0.00 H new ATOM 0 HG2 MET A 65 9.743 2.407 4.034 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.387 0.878 4.812 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.551 -0.868 1.575 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.307 -0.430 3.126 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.773 -1.332 3.107 1.00 0.00 H new ATOM 1055 N VAL A 66 6.790 5.238 5.038 1.00 0.00 N ATOM 1056 CA VAL A 66 6.469 6.495 4.370 1.00 0.00 C ATOM 1057 C VAL A 66 6.940 7.705 5.177 1.00 0.00 C ATOM 1058 O VAL A 66 6.923 8.832 4.683 1.00 0.00 O ATOM 1059 CB VAL A 66 4.957 6.622 4.114 1.00 0.00 C ATOM 1060 CG1 VAL A 66 4.482 5.533 3.165 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.187 6.570 5.426 1.00 0.00 C ATOM 0 H VAL A 66 5.982 4.739 5.410 1.00 0.00 H new ATOM 0 HA VAL A 66 6.998 6.480 3.417 1.00 0.00 H new ATOM 0 HB VAL A 66 4.766 7.588 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.410 5.639 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.010 5.622 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.685 4.555 3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.120 6.661 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.382 5.621 5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.507 7.390 6.068 1.00 0.00 H new ATOM 1071 N GLU A 67 7.354 7.470 6.420 1.00 0.00 N ATOM 1072 CA GLU A 67 7.820 8.549 7.284 1.00 0.00 C ATOM 1073 C GLU A 67 9.319 8.781 7.118 1.00 0.00 C ATOM 1074 O GLU A 67 9.794 9.912 7.218 1.00 0.00 O ATOM 1075 CB GLU A 67 7.501 8.232 8.746 1.00 0.00 C ATOM 1076 CG GLU A 67 7.741 9.400 9.688 1.00 0.00 C ATOM 1077 CD GLU A 67 7.827 8.970 11.139 1.00 0.00 C ATOM 1078 OE1 GLU A 67 8.772 8.230 11.484 1.00 0.00 O ATOM 1079 OE2 GLU A 67 6.949 9.374 11.931 1.00 0.00 O ATOM 0 H GLU A 67 7.376 6.545 6.849 1.00 0.00 H new ATOM 0 HA GLU A 67 7.299 9.461 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.459 7.922 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.109 7.386 9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.665 9.905 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.935 10.125 9.575 1.00 0.00 H new ATOM 1086 N ASN A 68 10.061 7.705 6.871 1.00 0.00 N ATOM 1087 CA ASN A 68 11.506 7.801 6.699 1.00 0.00 C ATOM 1088 C ASN A 68 11.873 8.035 5.237 1.00 0.00 C ATOM 1089 O ASN A 68 12.906 8.633 4.935 1.00 0.00 O ATOM 1090 CB ASN A 68 12.188 6.530 7.212 1.00 0.00 C ATOM 1091 CG ASN A 68 11.620 5.273 6.586 1.00 0.00 C ATOM 1092 OD1 ASN A 68 11.384 5.217 5.379 1.00 0.00 O ATOM 1093 ND2 ASN A 68 11.396 4.253 7.407 1.00 0.00 N ATOM 0 H ASN A 68 9.687 6.760 6.786 1.00 0.00 H new ATOM 0 HA ASN A 68 11.856 8.654 7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.256 6.585 7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.078 6.474 8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.014 3.380 7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.606 4.343 8.401 1.00 0.00 H new ATOM 1100 N ALA A 69 11.024 7.560 4.331 1.00 0.00 N ATOM 1101 CA ALA A 69 11.265 7.722 2.902 1.00 0.00 C ATOM 1102 C ALA A 69 10.356 8.796 2.313 1.00 0.00 C ATOM 1103 O ALA A 69 9.162 8.572 2.114 1.00 0.00 O ATOM 1104 CB ALA A 69 11.064 6.398 2.179 1.00 0.00 C ATOM 0 H ALA A 69 10.165 7.061 4.561 1.00 0.00 H new ATOM 0 HA ALA A 69 12.298 8.042 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.247 6.534 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.759 5.658 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.041 6.053 2.330 1.00 0.00 H new ATOM 1110 N LYS A 70 10.929 9.962 2.037 1.00 0.00 N ATOM 1111 CA LYS A 70 10.169 11.072 1.472 1.00 0.00 C ATOM 1112 C LYS A 70 9.538 10.682 0.137 1.00 0.00 C ATOM 1113 O LYS A 70 8.517 11.241 -0.262 1.00 0.00 O ATOM 1114 CB LYS A 70 11.070 12.294 1.287 1.00 0.00 C ATOM 1115 CG LYS A 70 12.315 12.015 0.462 1.00 0.00 C ATOM 1116 CD LYS A 70 13.478 12.895 0.893 1.00 0.00 C ATOM 1117 CE LYS A 70 13.171 14.368 0.679 1.00 0.00 C ATOM 1118 NZ LYS A 70 12.763 15.040 1.944 1.00 0.00 N ATOM 0 H LYS A 70 11.916 10.164 2.195 1.00 0.00 H new ATOM 0 HA LYS A 70 9.369 11.321 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.497 13.088 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.370 12.665 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.593 10.966 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.100 12.186 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.699 12.718 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.370 12.623 0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.050 14.866 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.375 14.469 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.865 15.543 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.642 14.328 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.497 15.720 2.228 1.00 0.00 H new ATOM 1132 N LYS A 71 10.151 9.721 -0.549 1.00 0.00 N ATOM 1133 CA LYS A 71 9.639 9.265 -1.838 1.00 0.00 C ATOM 1134 C LYS A 71 8.579 8.187 -1.661 1.00 0.00 C ATOM 1135 O LYS A 71 8.896 7.011 -1.474 1.00 0.00 O ATOM 1136 CB LYS A 71 10.774 8.738 -2.719 1.00 0.00 C ATOM 1137 CG LYS A 71 11.565 7.602 -2.090 1.00 0.00 C ATOM 1138 CD LYS A 71 13.043 7.688 -2.447 1.00 0.00 C ATOM 1139 CE LYS A 71 13.904 7.909 -1.213 1.00 0.00 C ATOM 1140 NZ LYS A 71 13.604 9.207 -0.548 1.00 0.00 N ATOM 0 H LYS A 71 10.998 9.246 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 71 9.180 10.123 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.357 8.396 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.454 9.558 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.449 7.632 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.163 6.647 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.351 6.770 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.201 8.504 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.742 7.094 -0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.956 7.881 -1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.447 9.815 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.821 9.678 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.334 9.036 0.442 1.00 0.00 H new ATOM 1154 N ILE A 72 7.320 8.596 -1.739 1.00 0.00 N ATOM 1155 CA ILE A 72 6.203 7.673 -1.605 1.00 0.00 C ATOM 1156 C ILE A 72 5.315 7.737 -2.838 1.00 0.00 C ATOM 1157 O ILE A 72 4.392 8.548 -2.908 1.00 0.00 O ATOM 1158 CB ILE A 72 5.357 7.980 -0.354 1.00 0.00 C ATOM 1159 CG1 ILE A 72 6.250 8.085 0.885 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.292 6.909 -0.159 1.00 0.00 C ATOM 1161 CD1 ILE A 72 6.323 9.482 1.461 1.00 0.00 C ATOM 0 H ILE A 72 7.047 9.566 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 72 6.621 6.672 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 72 4.859 8.939 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.877 7.404 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.256 7.754 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.702 7.139 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.639 6.882 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.771 5.938 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.973 9.481 2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.725 10.164 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.324 9.809 1.751 1.00 0.00 H new ATOM 1173 N GLU A 73 5.603 6.886 -3.817 1.00 0.00 N ATOM 1174 CA GLU A 73 4.828 6.863 -5.048 1.00 0.00 C ATOM 1175 C GLU A 73 3.766 5.773 -5.005 1.00 0.00 C ATOM 1176 O GLU A 73 4.008 4.673 -4.507 1.00 0.00 O ATOM 1177 CB GLU A 73 5.748 6.667 -6.255 1.00 0.00 C ATOM 1178 CG GLU A 73 5.567 7.721 -7.336 1.00 0.00 C ATOM 1179 CD GLU A 73 6.423 7.455 -8.558 1.00 0.00 C ATOM 1180 OE1 GLU A 73 6.704 6.271 -8.840 1.00 0.00 O ATOM 1181 OE2 GLU A 73 6.813 8.430 -9.234 1.00 0.00 O ATOM 0 H GLU A 73 6.364 6.207 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 73 4.322 7.823 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.784 6.679 -5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.565 5.682 -6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.519 7.756 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.816 8.701 -6.928 1.00 0.00 H new ATOM 1188 N VAL A 74 2.586 6.092 -5.521 1.00 0.00 N ATOM 1189 CA VAL A 74 1.479 5.149 -5.535 1.00 0.00 C ATOM 1190 C VAL A 74 1.153 4.692 -6.954 1.00 0.00 C ATOM 1191 O VAL A 74 1.189 5.482 -7.897 1.00 0.00 O ATOM 1192 CB VAL A 74 0.217 5.765 -4.906 1.00 0.00 C ATOM 1193 CG1 VAL A 74 -0.884 4.726 -4.787 1.00 0.00 C ATOM 1194 CG2 VAL A 74 0.538 6.370 -3.547 1.00 0.00 C ATOM 0 H VAL A 74 2.372 6.999 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 74 1.793 4.287 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.138 6.562 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.768 5.182 -4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.134 4.345 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.542 3.904 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.367 6.801 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.920 5.594 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.291 7.150 -3.664 1.00 0.00 H new ATOM 1204 N GLU A 75 0.825 3.412 -7.091 1.00 0.00 N ATOM 1205 CA GLU A 75 0.481 2.842 -8.387 1.00 0.00 C ATOM 1206 C GLU A 75 -1.024 2.616 -8.483 1.00 0.00 C ATOM 1207 O GLU A 75 -1.485 1.482 -8.616 1.00 0.00 O ATOM 1208 CB GLU A 75 1.230 1.522 -8.598 1.00 0.00 C ATOM 1209 CG GLU A 75 0.889 0.825 -9.906 1.00 0.00 C ATOM 1210 CD GLU A 75 0.722 -0.673 -9.742 1.00 0.00 C ATOM 1211 OE1 GLU A 75 1.749 -1.383 -9.700 1.00 0.00 O ATOM 1212 OE2 GLU A 75 -0.434 -1.136 -9.656 1.00 0.00 O ATOM 0 H GLU A 75 0.790 2.748 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 75 0.778 3.543 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.302 1.715 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.004 0.850 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.031 1.247 -10.309 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.676 1.022 -10.634 1.00 0.00 H new ATOM 1219 N PHE A 76 -1.789 3.701 -8.397 1.00 0.00 N ATOM 1220 CA PHE A 76 -3.243 3.612 -8.458 1.00 0.00 C ATOM 1221 C PHE A 76 -3.780 4.010 -9.836 1.00 0.00 C ATOM 1222 O PHE A 76 -3.200 4.848 -10.526 1.00 0.00 O ATOM 1223 CB PHE A 76 -3.863 4.471 -7.343 1.00 0.00 C ATOM 1224 CG PHE A 76 -4.303 5.848 -7.759 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.495 6.650 -8.549 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.530 6.338 -7.346 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -3.908 7.916 -8.921 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.947 7.600 -7.712 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.136 8.391 -8.502 1.00 0.00 C ATOM 0 H PHE A 76 -1.427 4.648 -8.285 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.531 2.573 -8.301 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.724 3.941 -6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.137 4.568 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.534 6.283 -8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.169 5.724 -6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.272 8.533 -9.538 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.906 7.970 -7.381 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.461 9.379 -8.792 1.00 0.00 H new ATOM 1239 N ASP A 77 -4.894 3.391 -10.227 1.00 0.00 N ATOM 1240 CA ASP A 77 -5.523 3.662 -11.516 1.00 0.00 C ATOM 1241 C ASP A 77 -6.297 4.976 -11.486 1.00 0.00 C ATOM 1242 O ASP A 77 -6.619 5.495 -10.417 1.00 0.00 O ATOM 1243 CB ASP A 77 -6.466 2.517 -11.892 1.00 0.00 C ATOM 1244 CG ASP A 77 -6.854 2.546 -13.358 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -5.971 2.809 -14.200 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -8.041 2.304 -13.662 1.00 0.00 O ATOM 0 H ASP A 77 -5.381 2.694 -9.664 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.734 3.744 -12.264 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.986 1.565 -11.665 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.366 2.575 -11.279 1.00 0.00 H new ATOM 1251 N LYS A 78 -6.598 5.504 -12.668 1.00 0.00 N ATOM 1252 CA LYS A 78 -7.342 6.755 -12.782 1.00 0.00 C ATOM 1253 C LYS A 78 -8.825 6.484 -13.019 1.00 0.00 C ATOM 1254 O LYS A 78 -9.510 7.254 -13.692 1.00 0.00 O ATOM 1255 CB LYS A 78 -6.777 7.607 -13.920 1.00 0.00 C ATOM 1256 CG LYS A 78 -5.600 8.477 -13.504 1.00 0.00 C ATOM 1257 CD LYS A 78 -4.284 7.944 -14.052 1.00 0.00 C ATOM 1258 CE LYS A 78 -3.411 7.364 -12.949 1.00 0.00 C ATOM 1259 NZ LYS A 78 -3.462 5.875 -12.922 1.00 0.00 N ATOM 0 H LYS A 78 -6.338 5.085 -13.561 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.236 7.300 -11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.464 6.951 -14.732 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.569 8.245 -14.312 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.757 9.495 -13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.549 8.524 -12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.485 7.176 -14.799 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.747 8.747 -14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.381 7.689 -13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.737 7.756 -11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.606 5.550 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.249 5.544 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.567 5.490 -13.286 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.312 5.386 -12.452 1.00 0.00 N ATOM 1274 CA GLY A 79 -10.704 5.016 -12.593 1.00 0.00 C ATOM 1275 C GLY A 79 -11.083 3.981 -11.567 1.00 0.00 C ATOM 1276 O GLY A 79 -11.906 3.101 -11.824 1.00 0.00 O ATOM 0 H GLY A 79 -8.758 4.740 -11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.334 5.898 -12.478 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.883 4.625 -13.595 1.00 0.00 H new ATOM 1280 N GLN A 80 -10.458 4.081 -10.403 1.00 0.00 N ATOM 1281 CA GLN A 80 -10.701 3.144 -9.326 1.00 0.00 C ATOM 1282 C GLN A 80 -12.002 3.471 -8.605 1.00 0.00 C ATOM 1283 O GLN A 80 -12.236 4.603 -8.181 1.00 0.00 O ATOM 1284 CB GLN A 80 -9.502 3.135 -8.363 1.00 0.00 C ATOM 1285 CG GLN A 80 -9.822 3.519 -6.924 1.00 0.00 C ATOM 1286 CD GLN A 80 -10.304 2.339 -6.102 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -10.126 1.184 -6.489 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -10.920 2.624 -4.960 1.00 0.00 N ATOM 0 H GLN A 80 -9.776 4.807 -10.184 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.810 2.143 -9.742 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.061 2.138 -8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.745 3.820 -8.745 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.933 3.943 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.586 4.297 -6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.046 3.596 -4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.267 1.871 -4.366 1.00 0.00 H new ATOM 1297 N ARG A 81 -12.838 2.459 -8.483 1.00 0.00 N ATOM 1298 CA ARG A 81 -14.133 2.596 -7.818 1.00 0.00 C ATOM 1299 C ARG A 81 -13.960 3.122 -6.393 1.00 0.00 C ATOM 1300 O ARG A 81 -13.386 2.448 -5.539 1.00 0.00 O ATOM 1301 CB ARG A 81 -14.862 1.252 -7.793 1.00 0.00 C ATOM 1302 CG ARG A 81 -16.357 1.375 -7.546 1.00 0.00 C ATOM 1303 CD ARG A 81 -16.978 0.030 -7.203 1.00 0.00 C ATOM 1304 NE ARG A 81 -16.624 -0.999 -8.178 1.00 0.00 N ATOM 1305 CZ ARG A 81 -17.111 -1.046 -9.416 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -17.973 -0.127 -9.833 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -16.736 -2.016 -10.238 1.00 0.00 N ATOM 0 H ARG A 81 -12.647 1.522 -8.837 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.729 3.314 -8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.700 0.742 -8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.424 0.625 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.536 2.078 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.841 1.785 -8.433 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.647 -0.280 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.062 0.131 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.965 -1.724 -7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.266 0.621 -9.204 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.343 -0.168 -10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.075 -2.725 -9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.109 -2.053 -11.187 1.00 0.00 H new ATOM 1321 N THR A 82 -14.453 4.332 -6.150 1.00 0.00 N ATOM 1322 CA THR A 82 -14.344 4.958 -4.834 1.00 0.00 C ATOM 1323 C THR A 82 -15.468 4.512 -3.899 1.00 0.00 C ATOM 1324 O THR A 82 -16.410 3.842 -4.318 1.00 0.00 O ATOM 1325 CB THR A 82 -14.362 6.479 -4.972 1.00 0.00 C ATOM 1326 OG1 THR A 82 -15.649 6.933 -5.351 1.00 0.00 O ATOM 1327 CG2 THR A 82 -13.372 7.000 -5.990 1.00 0.00 C ATOM 0 H THR A 82 -14.933 4.901 -6.847 1.00 0.00 H new ATOM 0 HA THR A 82 -13.397 4.640 -4.397 1.00 0.00 H new ATOM 0 HB THR A 82 -14.082 6.861 -3.990 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.641 7.910 -5.433 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.437 8.087 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.363 6.709 -5.698 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.602 6.579 -6.969 1.00 0.00 H new ATOM 1421 N TRP A 88 -9.449 4.974 -2.703 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.643 4.661 -3.870 1.00 0.00 C ATOM 1423 C TRP A 88 -7.748 3.450 -3.626 1.00 0.00 C ATOM 1424 O TRP A 88 -7.240 3.253 -2.529 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.767 5.864 -4.225 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.527 7.048 -4.738 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -8.894 8.149 -4.019 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -9.000 7.264 -6.074 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -9.579 9.029 -4.820 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.654 8.511 -6.087 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.938 6.526 -7.261 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.242 9.034 -7.237 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -9.519 7.047 -8.401 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -10.164 8.290 -8.382 1.00 0.00 C ATOM 0 HA TRP A 88 -9.321 4.428 -4.691 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.205 6.163 -3.340 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.039 5.560 -4.978 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.677 8.305 -2.973 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.969 9.923 -4.521 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.444 5.566 -7.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -10.741 9.992 -7.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.475 6.486 -9.323 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.609 8.669 -9.290 1.00 0.00 H new ATOM 1445 N LEU A 89 -7.529 2.656 -4.658 1.00 0.00 N ATOM 1446 CA LEU A 89 -6.659 1.494 -4.537 1.00 0.00 C ATOM 1447 C LEU A 89 -5.204 1.946 -4.563 1.00 0.00 C ATOM 1448 O LEU A 89 -4.898 3.019 -5.079 1.00 0.00 O ATOM 1449 CB LEU A 89 -6.941 0.493 -5.663 1.00 0.00 C ATOM 1450 CG LEU A 89 -6.221 0.735 -7.001 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -6.302 2.196 -7.422 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -4.770 0.278 -6.923 1.00 0.00 C ATOM 0 H LEU A 89 -7.936 2.790 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.856 0.993 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.673 -0.502 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.015 0.486 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.730 0.142 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.783 2.330 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.347 2.484 -7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.834 2.820 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.280 0.458 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.255 0.835 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.736 -0.787 -6.693 1.00 0.00 H new ATOM 1464 N ALA A 90 -4.306 1.148 -3.999 1.00 0.00 N ATOM 1465 CA ALA A 90 -2.897 1.520 -3.977 1.00 0.00 C ATOM 1466 C ALA A 90 -2.048 0.513 -3.215 1.00 0.00 C ATOM 1467 O ALA A 90 -2.551 -0.256 -2.396 1.00 0.00 O ATOM 1468 CB ALA A 90 -2.730 2.903 -3.364 1.00 0.00 C ATOM 0 H ALA A 90 -4.522 0.254 -3.558 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.549 1.530 -5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.673 3.171 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.283 3.632 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.114 2.898 -2.344 1.00 0.00 H new ATOM 1474 N TYR A 91 -0.749 0.544 -3.486 1.00 0.00 N ATOM 1475 CA TYR A 91 0.199 -0.341 -2.829 1.00 0.00 C ATOM 1476 C TYR A 91 1.064 0.459 -1.861 1.00 0.00 C ATOM 1477 O TYR A 91 1.423 -0.020 -0.785 1.00 0.00 O ATOM 1478 CB TYR A 91 1.072 -1.048 -3.866 1.00 0.00 C ATOM 1479 CG TYR A 91 0.353 -2.149 -4.615 1.00 0.00 C ATOM 1480 CD1 TYR A 91 -0.875 -1.919 -5.226 1.00 0.00 C ATOM 1481 CD2 TYR A 91 0.904 -3.421 -4.709 1.00 0.00 C ATOM 1482 CE1 TYR A 91 -1.532 -2.926 -5.909 1.00 0.00 C ATOM 1483 CE2 TYR A 91 0.253 -4.432 -5.390 1.00 0.00 C ATOM 1484 CZ TYR A 91 -0.963 -4.180 -5.987 1.00 0.00 C ATOM 1485 OH TYR A 91 -1.614 -5.185 -6.666 1.00 0.00 O ATOM 0 H TYR A 91 -0.327 1.180 -4.163 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.350 -1.099 -2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.438 -0.312 -4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 91 1.945 -1.470 -3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.323 -0.938 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.857 -3.623 -4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.485 -2.732 -6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.695 -5.415 -5.454 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.079 -6.005 -6.628 1.00 0.00 H new ATOM 1495 N ILE A 92 1.374 1.695 -2.250 1.00 0.00 N ATOM 1496 CA ILE A 92 2.176 2.591 -1.424 1.00 0.00 C ATOM 1497 C ILE A 92 3.555 2.010 -1.125 1.00 0.00 C ATOM 1498 O ILE A 92 3.671 0.928 -0.550 1.00 0.00 O ATOM 1499 CB ILE A 92 1.465 2.901 -0.092 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.010 3.310 -0.346 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.206 3.995 0.662 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.988 2.204 -0.074 1.00 0.00 C ATOM 0 H ILE A 92 1.079 2.099 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 92 2.300 3.510 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 92 1.466 2.000 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.232 4.168 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.092 3.633 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.692 4.203 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.224 3.667 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.234 4.900 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.996 2.566 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.773 1.353 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.915 1.896 0.969 1.00 0.00 H new ATOM 1514 N TYR A 93 4.601 2.743 -1.503 1.00 0.00 N ATOM 1515 CA TYR A 93 5.966 2.298 -1.254 1.00 0.00 C ATOM 1516 C TYR A 93 6.887 3.465 -0.938 1.00 0.00 C ATOM 1517 O TYR A 93 6.766 4.543 -1.514 1.00 0.00 O ATOM 1518 CB TYR A 93 6.523 1.508 -2.440 1.00 0.00 C ATOM 1519 CG TYR A 93 6.302 2.143 -3.793 1.00 0.00 C ATOM 1520 CD1 TYR A 93 6.944 3.324 -4.152 1.00 0.00 C ATOM 1521 CD2 TYR A 93 5.467 1.541 -4.723 1.00 0.00 C ATOM 1522 CE1 TYR A 93 6.753 3.885 -5.400 1.00 0.00 C ATOM 1523 CE2 TYR A 93 5.274 2.092 -5.974 1.00 0.00 C ATOM 1524 CZ TYR A 93 5.918 3.264 -6.308 1.00 0.00 C ATOM 1525 OH TYR A 93 5.729 3.812 -7.556 1.00 0.00 O ATOM 0 H TYR A 93 4.528 3.642 -1.980 1.00 0.00 H new ATOM 0 HA TYR A 93 5.927 1.642 -0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.594 1.367 -2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.069 0.517 -2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.601 3.809 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.958 0.624 -4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.254 4.805 -5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.623 1.608 -6.686 1.00 0.00 H new ATOM 0 HH TYR A 93 6.511 4.351 -7.798 1.00 0.00 H new ATOM 1535 N ALA A 94 7.817 3.232 -0.018 1.00 0.00 N ATOM 1536 CA ALA A 94 8.776 4.249 0.383 1.00 0.00 C ATOM 1537 C ALA A 94 10.187 3.854 -0.039 1.00 0.00 C ATOM 1538 O ALA A 94 10.694 2.806 0.364 1.00 0.00 O ATOM 1539 CB ALA A 94 8.710 4.473 1.888 1.00 0.00 C ATOM 0 H ALA A 94 7.925 2.340 0.466 1.00 0.00 H new ATOM 0 HA ALA A 94 8.520 5.182 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.433 5.237 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.708 4.801 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.942 3.542 2.405 1.00 0.00 H new ATOM 1545 N ASP A 95 10.813 4.695 -0.855 1.00 0.00 N ATOM 1546 CA ASP A 95 12.167 4.438 -1.341 1.00 0.00 C ATOM 1547 C ASP A 95 12.165 3.377 -2.439 1.00 0.00 C ATOM 1548 O ASP A 95 13.156 2.674 -2.637 1.00 0.00 O ATOM 1549 CB ASP A 95 13.082 4.000 -0.192 1.00 0.00 C ATOM 1550 CG ASP A 95 14.413 4.725 -0.204 1.00 0.00 C ATOM 1551 OD1 ASP A 95 15.052 4.777 -1.277 1.00 0.00 O ATOM 1552 OD2 ASP A 95 14.818 5.242 0.859 1.00 0.00 O ATOM 0 H ASP A 95 10.404 5.565 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 95 12.550 5.368 -1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.580 4.183 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.256 2.926 -0.259 1.00 0.00 H new ATOM 1557 N GLY A 96 11.049 3.272 -3.155 1.00 0.00 N ATOM 1558 CA GLY A 96 10.945 2.298 -4.228 1.00 0.00 C ATOM 1559 C GLY A 96 10.469 0.936 -3.753 1.00 0.00 C ATOM 1560 O GLY A 96 10.068 0.100 -4.563 1.00 0.00 O ATOM 0 H GLY A 96 10.216 3.843 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.257 2.673 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.918 2.189 -4.707 1.00 0.00 H new ATOM 1564 N LYS A 97 10.514 0.707 -2.445 1.00 0.00 N ATOM 1565 CA LYS A 97 10.085 -0.568 -1.879 1.00 0.00 C ATOM 1566 C LYS A 97 8.785 -0.409 -1.098 1.00 0.00 C ATOM 1567 O LYS A 97 8.657 0.487 -0.264 1.00 0.00 O ATOM 1568 CB LYS A 97 11.174 -1.132 -0.966 1.00 0.00 C ATOM 1569 CG LYS A 97 11.685 -0.134 0.060 1.00 0.00 C ATOM 1570 CD LYS A 97 12.385 -0.830 1.215 1.00 0.00 C ATOM 1571 CE LYS A 97 12.830 0.164 2.276 1.00 0.00 C ATOM 1572 NZ LYS A 97 13.253 -0.516 3.531 1.00 0.00 N ATOM 0 H LYS A 97 10.842 1.385 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 97 9.910 -1.262 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.784 -2.007 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.010 -1.471 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.375 0.561 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.852 0.456 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.713 -1.563 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.251 -1.377 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.656 0.761 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.014 0.853 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.549 0.196 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.457 -1.066 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.049 -1.154 3.329 1.00 0.00 H new ATOM 1586 N MET A 98 7.825 -1.286 -1.373 1.00 0.00 N ATOM 1587 CA MET A 98 6.536 -1.243 -0.693 1.00 0.00 C ATOM 1588 C MET A 98 6.673 -1.705 0.753 1.00 0.00 C ATOM 1589 O MET A 98 7.409 -2.647 1.046 1.00 0.00 O ATOM 1590 CB MET A 98 5.514 -2.116 -1.427 1.00 0.00 C ATOM 1591 CG MET A 98 5.431 -1.835 -2.918 1.00 0.00 C ATOM 1592 SD MET A 98 4.591 -3.147 -3.827 1.00 0.00 S ATOM 1593 CE MET A 98 5.826 -3.548 -5.061 1.00 0.00 C ATOM 0 H MET A 98 7.915 -2.034 -2.061 1.00 0.00 H new ATOM 0 HA MET A 98 6.185 -0.211 -0.696 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.771 -3.165 -1.277 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.531 -1.962 -0.982 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.905 -0.894 -3.078 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.438 -1.709 -3.317 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.453 -4.346 -5.703 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.037 -2.665 -5.665 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.740 -3.877 -4.567 1.00 0.00 H new ATOM 1603 N VAL A 99 5.958 -1.036 1.655 1.00 0.00 N ATOM 1604 CA VAL A 99 6.000 -1.379 3.074 1.00 0.00 C ATOM 1605 C VAL A 99 5.844 -2.882 3.276 1.00 0.00 C ATOM 1606 O VAL A 99 6.487 -3.474 4.143 1.00 0.00 O ATOM 1607 CB VAL A 99 4.900 -0.646 3.861 1.00 0.00 C ATOM 1608 CG1 VAL A 99 5.135 0.856 3.829 1.00 0.00 C ATOM 1609 CG2 VAL A 99 3.525 -0.992 3.309 1.00 0.00 C ATOM 0 H VAL A 99 5.343 -0.254 1.428 1.00 0.00 H new ATOM 0 HA VAL A 99 6.973 -1.063 3.451 1.00 0.00 H new ATOM 0 HB VAL A 99 4.940 -0.975 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.348 1.359 4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.102 1.083 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.123 1.204 2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.761 -0.464 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.468 -0.694 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.360 -2.066 3.390 1.00 0.00 H new