USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 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 46 CYS SG : rot 150:sc= 0.143 USER MOD Set 1.2: A 78 GLN : amide:sc= 0.0242 K(o=0.17,f=-0.36) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -152:sc= -0.385 (180deg=-1.39) USER MOD Single : A 28 HIS : no HD1:sc= -9.38! C(o=-9.4!,f=-8.9!) USER MOD Single : A 29 ASN : amide:sc= -0.893 X(o=-0.89,f=-1.2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -155:sc= -0.228 (180deg=-0.553) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.208 F(o=-1.2,f=-0.21) USER MOD Single : A 52 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=-0.0093) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -100:sc= -0.471 (180deg=-2.26!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 86 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.34) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.840 13.155 4.850 1.00 0.00 N ATOM 191 CA ILE A 16 5.320 11.797 4.737 1.00 0.00 C ATOM 192 C ILE A 16 3.848 11.806 4.335 1.00 0.00 C ATOM 193 O ILE A 16 3.083 12.672 4.759 1.00 0.00 O ATOM 194 CB ILE A 16 5.476 11.022 6.057 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.956 10.813 6.379 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.752 9.686 5.976 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.779 10.377 5.186 1.00 0.00 C ATOM 0 HA ILE A 16 5.904 11.298 3.963 1.00 0.00 H new ATOM 0 HB ILE A 16 5.028 11.608 6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.368 11.741 6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.046 10.064 7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.872 9.150 6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.692 9.857 5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.173 9.093 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.818 10.248 5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.393 9.432 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.720 11.136 4.406 1.00 0.00 H new ATOM 209 N ALA A 17 3.458 10.832 3.518 1.00 0.00 N ATOM 210 CA ALA A 17 2.077 10.725 3.063 1.00 0.00 C ATOM 211 C ALA A 17 1.501 9.349 3.378 1.00 0.00 C ATOM 212 O ALA A 17 1.918 8.345 2.799 1.00 0.00 O ATOM 213 CB ALA A 17 1.990 11.008 1.570 1.00 0.00 C ATOM 0 H ALA A 17 4.078 10.107 3.158 1.00 0.00 H new ATOM 0 HA ALA A 17 1.485 11.468 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.953 10.925 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.354 12.016 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.600 10.287 1.027 1.00 0.00 H new ATOM 219 N GLU A 18 0.543 9.309 4.298 1.00 0.00 N ATOM 220 CA GLU A 18 -0.088 8.053 4.690 1.00 0.00 C ATOM 221 C GLU A 18 -1.272 7.734 3.782 1.00 0.00 C ATOM 222 O GLU A 18 -2.241 8.492 3.717 1.00 0.00 O ATOM 223 CB GLU A 18 -0.551 8.122 6.146 1.00 0.00 C ATOM 224 CG GLU A 18 -1.454 6.971 6.553 1.00 0.00 C ATOM 225 CD GLU A 18 -2.917 7.244 6.257 1.00 0.00 C ATOM 226 OE1 GLU A 18 -3.504 8.119 6.929 1.00 0.00 O ATOM 227 OE2 GLU A 18 -3.474 6.584 5.356 1.00 0.00 O ATOM 0 H GLU A 18 0.186 10.131 4.786 1.00 0.00 H new ATOM 0 HA GLU A 18 0.650 7.257 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.324 8.134 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.080 9.062 6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.143 6.067 6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.333 6.778 7.619 1.00 0.00 H new ATOM 234 N VAL A 19 -1.188 6.608 3.083 1.00 0.00 N ATOM 235 CA VAL A 19 -2.252 6.186 2.179 1.00 0.00 C ATOM 236 C VAL A 19 -2.679 4.751 2.464 1.00 0.00 C ATOM 237 O VAL A 19 -1.844 3.852 2.561 1.00 0.00 O ATOM 238 CB VAL A 19 -1.815 6.297 0.707 1.00 0.00 C ATOM 239 CG1 VAL A 19 -2.937 5.850 -0.219 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.384 7.721 0.385 1.00 0.00 C ATOM 0 H VAL A 19 -0.393 5.970 3.125 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.096 6.854 2.351 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.961 5.638 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.609 5.936 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.195 4.813 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.812 6.481 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.078 7.781 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.217 8.402 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.547 8.001 1.025 1.00 0.00 H new ATOM 250 N GLU A 20 -3.985 4.542 2.597 1.00 0.00 N ATOM 251 CA GLU A 20 -4.522 3.216 2.872 1.00 0.00 C ATOM 252 C GLU A 20 -5.294 2.682 1.668 1.00 0.00 C ATOM 253 O GLU A 20 -5.720 3.444 0.800 1.00 0.00 O ATOM 254 CB GLU A 20 -5.436 3.254 4.099 1.00 0.00 C ATOM 255 CG GLU A 20 -4.718 3.652 5.379 1.00 0.00 C ATOM 256 CD GLU A 20 -5.629 4.363 6.360 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.863 4.282 6.192 1.00 0.00 O ATOM 258 OE2 GLU A 20 -5.105 5.001 7.298 1.00 0.00 O ATOM 0 H GLU A 20 -4.690 5.275 2.519 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.684 2.548 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.249 3.956 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.888 2.272 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.305 2.761 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.877 4.301 5.133 1.00 0.00 H new ATOM 265 N VAL A 21 -5.469 1.364 1.621 1.00 0.00 N ATOM 266 CA VAL A 21 -6.188 0.727 0.525 1.00 0.00 C ATOM 267 C VAL A 21 -7.036 -0.437 1.027 1.00 0.00 C ATOM 268 O VAL A 21 -6.669 -1.116 1.987 1.00 0.00 O ATOM 269 CB VAL A 21 -5.222 0.214 -0.558 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.340 -0.895 -0.004 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.993 -0.265 -1.778 1.00 0.00 C ATOM 0 H VAL A 21 -5.122 0.718 2.330 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.838 1.486 0.090 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.578 1.038 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.664 -1.246 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.759 -0.513 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.964 -1.722 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.293 -0.624 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.663 -1.075 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.576 0.560 -2.187 1.00 0.00 H new ATOM 281 N SER A 22 -8.170 -0.663 0.372 1.00 0.00 N ATOM 282 CA SER A 22 -9.072 -1.744 0.754 1.00 0.00 C ATOM 283 C SER A 22 -8.529 -3.092 0.292 1.00 0.00 C ATOM 284 O SER A 22 -8.479 -3.375 -0.905 1.00 0.00 O ATOM 285 CB SER A 22 -10.462 -1.508 0.161 1.00 0.00 C ATOM 286 OG SER A 22 -11.372 -2.509 0.584 1.00 0.00 O ATOM 0 H SER A 22 -8.486 -0.112 -0.426 1.00 0.00 H new ATOM 0 HA SER A 22 -9.147 -1.757 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.829 -0.527 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.401 -1.504 -0.927 1.00 0.00 H new ATOM 0 HG SER A 22 -12.254 -2.336 0.193 1.00 0.00 H new ATOM 292 N ILE A 23 -8.125 -3.919 1.250 1.00 0.00 N ATOM 293 CA ILE A 23 -7.588 -5.239 0.942 1.00 0.00 C ATOM 294 C ILE A 23 -7.887 -6.230 2.062 1.00 0.00 C ATOM 295 O ILE A 23 -7.783 -5.914 3.247 1.00 0.00 O ATOM 296 CB ILE A 23 -6.066 -5.187 0.711 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.738 -4.269 -0.469 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.519 -6.586 0.468 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.256 -4.152 -0.750 1.00 0.00 C ATOM 0 H ILE A 23 -8.159 -3.699 2.245 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.076 -5.572 0.026 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.592 -4.782 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.240 -4.644 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.141 -3.276 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.442 -6.533 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.725 -7.213 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.997 -7.016 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.098 -3.486 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.750 -3.748 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.851 -5.137 -0.981 1.00 0.00 H new ATOM 311 N PRO A 24 -8.265 -7.458 1.680 1.00 0.00 N ATOM 312 CA PRO A 24 -8.585 -8.522 2.637 1.00 0.00 C ATOM 313 C PRO A 24 -7.351 -9.025 3.377 1.00 0.00 C ATOM 314 O PRO A 24 -6.221 -8.742 2.982 1.00 0.00 O ATOM 315 CB PRO A 24 -9.169 -9.628 1.755 1.00 0.00 C ATOM 316 CG PRO A 24 -8.576 -9.393 0.409 1.00 0.00 C ATOM 317 CD PRO A 24 -8.410 -7.904 0.283 1.00 0.00 C ATOM 0 HA PRO A 24 -9.264 -8.179 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.909 -10.616 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.257 -9.575 1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.617 -9.902 0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.225 -9.781 -0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.535 -7.646 -0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.272 -7.443 -0.199 1.00 0.00 H new ATOM 325 N ALA A 25 -7.576 -9.775 4.451 1.00 0.00 N ATOM 326 CA ALA A 25 -6.482 -10.321 5.245 1.00 0.00 C ATOM 327 C ALA A 25 -6.030 -11.672 4.700 1.00 0.00 C ATOM 328 O ALA A 25 -4.940 -12.148 5.019 1.00 0.00 O ATOM 329 CB ALA A 25 -6.900 -10.450 6.702 1.00 0.00 C ATOM 0 H ALA A 25 -8.506 -10.018 4.791 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.640 -9.632 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.073 -10.859 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.167 -9.468 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.760 -11.116 6.776 1.00 0.00 H new ATOM 335 N LYS A 26 -6.874 -12.285 3.879 1.00 0.00 N ATOM 336 CA LYS A 26 -6.562 -13.582 3.289 1.00 0.00 C ATOM 337 C LYS A 26 -5.498 -13.445 2.205 1.00 0.00 C ATOM 338 O LYS A 26 -4.746 -14.383 1.937 1.00 0.00 O ATOM 339 CB LYS A 26 -7.825 -14.215 2.701 1.00 0.00 C ATOM 340 CG LYS A 26 -8.264 -13.592 1.388 1.00 0.00 C ATOM 341 CD LYS A 26 -9.708 -13.933 1.063 1.00 0.00 C ATOM 342 CE LYS A 26 -10.666 -12.901 1.636 1.00 0.00 C ATOM 343 NZ LYS A 26 -10.922 -13.126 3.086 1.00 0.00 N ATOM 0 H LYS A 26 -7.780 -11.905 3.606 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.172 -14.227 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.650 -15.280 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.636 -14.127 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.148 -12.509 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.617 -13.942 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.835 -13.989 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.950 -14.917 1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.253 -11.903 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.609 -12.939 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.866 -12.765 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.876 -14.144 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.203 -12.626 3.647 1.00 0.00 H new ATOM 357 N LEU A 27 -5.438 -12.271 1.587 1.00 0.00 N ATOM 358 CA LEU A 27 -4.464 -12.011 0.533 1.00 0.00 C ATOM 359 C LEU A 27 -3.142 -11.526 1.120 1.00 0.00 C ATOM 360 O LEU A 27 -2.069 -11.818 0.589 1.00 0.00 O ATOM 361 CB LEU A 27 -5.009 -10.972 -0.448 1.00 0.00 C ATOM 362 CG LEU A 27 -6.207 -11.410 -1.293 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.684 -10.269 -2.176 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.848 -12.625 -2.136 1.00 0.00 C ATOM 0 H LEU A 27 -6.052 -11.484 1.797 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.284 -12.945 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.293 -10.083 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.203 -10.679 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.020 -11.685 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.536 -10.600 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.981 -9.426 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.877 -9.961 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.711 -12.923 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.019 -12.376 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.556 -13.447 -1.483 1.00 0.00 H new ATOM 376 N HIS A 28 -3.225 -10.785 2.221 1.00 0.00 N ATOM 377 CA HIS A 28 -2.035 -10.263 2.883 1.00 0.00 C ATOM 378 C HIS A 28 -0.915 -11.298 2.883 1.00 0.00 C ATOM 379 O HIS A 28 0.136 -11.088 2.279 1.00 0.00 O ATOM 380 CB HIS A 28 -2.365 -9.850 4.318 1.00 0.00 C ATOM 381 CG HIS A 28 -3.301 -8.685 4.406 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.784 -8.196 5.603 1.00 0.00 N ATOM 383 CD2 HIS A 28 -3.843 -7.908 3.439 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.583 -7.171 5.366 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.635 -6.975 4.061 1.00 0.00 N ATOM 0 H HIS A 28 -4.104 -10.533 2.673 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.695 -9.387 2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.806 -10.700 4.840 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.440 -9.602 4.838 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.682 -8.004 2.375 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.105 -6.591 6.113 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.176 -6.249 3.592 1.00 0.00 H new ATOM 393 N ASN A 29 -1.148 -12.414 3.565 1.00 0.00 N ATOM 394 CA ASN A 29 -0.157 -13.482 3.644 1.00 0.00 C ATOM 395 C ASN A 29 0.499 -13.718 2.287 1.00 0.00 C ATOM 396 O ASN A 29 1.724 -13.762 2.177 1.00 0.00 O ATOM 397 CB ASN A 29 -0.807 -14.775 4.140 1.00 0.00 C ATOM 398 CG ASN A 29 -2.141 -15.043 3.472 1.00 0.00 C ATOM 399 OD1 ASN A 29 -2.204 -15.682 2.421 1.00 0.00 O ATOM 400 ND2 ASN A 29 -3.217 -14.556 4.080 1.00 0.00 N ATOM 0 H ASN A 29 -2.013 -12.603 4.071 1.00 0.00 H new ATOM 0 HA ASN A 29 0.613 -13.176 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.135 -15.612 3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.949 -14.717 5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.142 -14.706 3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.118 -14.032 4.950 1.00 0.00 H new ATOM 407 N SER A 30 -0.325 -13.868 1.255 1.00 0.00 N ATOM 408 CA SER A 30 0.173 -14.102 -0.095 1.00 0.00 C ATOM 409 C SER A 30 1.094 -12.970 -0.537 1.00 0.00 C ATOM 410 O SER A 30 2.269 -13.189 -0.835 1.00 0.00 O ATOM 411 CB SER A 30 -0.993 -14.240 -1.075 1.00 0.00 C ATOM 412 OG SER A 30 -1.538 -15.548 -1.040 1.00 0.00 O ATOM 0 H SER A 30 -1.342 -13.832 1.328 1.00 0.00 H new ATOM 0 HA SER A 30 0.744 -15.030 -0.090 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.767 -13.514 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.652 -14.012 -2.085 1.00 0.00 H new ATOM 0 HG SER A 30 -2.283 -15.609 -1.674 1.00 0.00 H new ATOM 418 N LEU A 31 0.553 -11.757 -0.578 1.00 0.00 N ATOM 419 CA LEU A 31 1.325 -10.588 -0.985 1.00 0.00 C ATOM 420 C LEU A 31 2.661 -10.535 -0.253 1.00 0.00 C ATOM 421 O LEU A 31 3.715 -10.384 -0.872 1.00 0.00 O ATOM 422 CB LEU A 31 0.531 -9.309 -0.714 1.00 0.00 C ATOM 423 CG LEU A 31 -0.381 -8.832 -1.845 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.550 -8.034 -1.287 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.403 -8.001 -2.849 1.00 0.00 C ATOM 0 H LEU A 31 -0.417 -11.557 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 31 1.521 -10.667 -2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.079 -9.466 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.235 -8.510 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.777 -9.707 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.188 -7.703 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.127 -8.661 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.173 -7.166 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.263 -7.671 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.829 -7.132 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.205 -8.605 -3.273 1.00 0.00 H new ATOM 437 N ILE A 32 2.610 -10.665 1.069 1.00 0.00 N ATOM 438 CA ILE A 32 3.818 -10.635 1.886 1.00 0.00 C ATOM 439 C ILE A 32 4.824 -11.680 1.417 1.00 0.00 C ATOM 440 O ILE A 32 5.942 -11.350 1.026 1.00 0.00 O ATOM 441 CB ILE A 32 3.498 -10.877 3.373 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.455 -9.870 3.863 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.765 -10.785 4.209 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.771 -10.284 5.147 1.00 0.00 C ATOM 0 H ILE A 32 1.746 -10.792 1.597 1.00 0.00 H new ATOM 0 HA ILE A 32 4.251 -9.641 1.773 1.00 0.00 H new ATOM 0 HB ILE A 32 3.086 -11.880 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.937 -8.904 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.702 -9.733 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.522 -10.958 5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.478 -11.537 3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.204 -9.793 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.045 -9.523 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.260 -11.235 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.514 -10.393 5.937 1.00 0.00 H new ATOM 456 N GLY A 33 4.417 -12.946 1.460 1.00 0.00 N ATOM 457 CA GLY A 33 5.294 -14.021 1.035 1.00 0.00 C ATOM 458 C GLY A 33 5.733 -14.901 2.189 1.00 0.00 C ATOM 459 O GLY A 33 5.210 -14.791 3.298 1.00 0.00 O ATOM 0 H GLY A 33 3.496 -13.245 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.782 -14.631 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.173 -13.598 0.550 1.00 0.00 H new ATOM 463 N THR A 34 6.698 -15.778 1.929 1.00 0.00 N ATOM 464 CA THR A 34 7.206 -16.681 2.953 1.00 0.00 C ATOM 465 C THR A 34 8.043 -15.930 3.982 1.00 0.00 C ATOM 466 O THR A 34 7.824 -16.057 5.188 1.00 0.00 O ATOM 467 CB THR A 34 8.060 -17.806 2.337 1.00 0.00 C ATOM 468 OG1 THR A 34 8.478 -18.719 3.358 1.00 0.00 O ATOM 469 CG2 THR A 34 9.280 -17.234 1.630 1.00 0.00 C ATOM 0 H THR A 34 7.143 -15.882 1.017 1.00 0.00 H new ATOM 0 HA THR A 34 6.338 -17.121 3.445 1.00 0.00 H new ATOM 0 HB THR A 34 7.450 -18.335 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.019 -19.432 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.868 -18.047 1.203 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.958 -16.562 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.890 -16.682 2.346 1.00 0.00 H new ATOM 477 N LYS A 35 9.002 -15.147 3.501 1.00 0.00 N ATOM 478 CA LYS A 35 9.871 -14.373 4.379 1.00 0.00 C ATOM 479 C LYS A 35 9.763 -12.882 4.075 1.00 0.00 C ATOM 480 O LYS A 35 10.743 -12.145 4.178 1.00 0.00 O ATOM 481 CB LYS A 35 11.324 -14.831 4.226 1.00 0.00 C ATOM 482 CG LYS A 35 12.221 -14.401 5.373 1.00 0.00 C ATOM 483 CD LYS A 35 13.567 -15.104 5.323 1.00 0.00 C ATOM 484 CE LYS A 35 13.451 -16.563 5.737 1.00 0.00 C ATOM 485 NZ LYS A 35 14.782 -17.171 6.009 1.00 0.00 N ATOM 0 H LYS A 35 9.197 -15.032 2.507 1.00 0.00 H new ATOM 0 HA LYS A 35 9.549 -14.541 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.347 -15.918 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.725 -14.434 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.371 -13.322 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.730 -14.620 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.973 -15.043 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.270 -14.593 5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.828 -16.639 6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.949 -17.125 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.659 -18.165 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.368 -17.122 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.250 -16.651 6.778 1.00 0.00 H new ATOM 499 N GLY A 36 8.565 -12.444 3.702 1.00 0.00 N ATOM 500 CA GLY A 36 8.352 -11.043 3.390 1.00 0.00 C ATOM 501 C GLY A 36 9.285 -10.541 2.307 1.00 0.00 C ATOM 502 O GLY A 36 9.880 -9.471 2.439 1.00 0.00 O ATOM 0 H GLY A 36 7.738 -13.034 3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.320 -10.898 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.494 -10.448 4.292 1.00 0.00 H new ATOM 506 N ARG A 37 9.416 -11.314 1.235 1.00 0.00 N ATOM 507 CA ARG A 37 10.286 -10.943 0.126 1.00 0.00 C ATOM 508 C ARG A 37 9.499 -10.227 -0.967 1.00 0.00 C ATOM 509 O ARG A 37 10.004 -9.304 -1.608 1.00 0.00 O ATOM 510 CB ARG A 37 10.969 -12.184 -0.452 1.00 0.00 C ATOM 511 CG ARG A 37 9.994 -13.239 -0.950 1.00 0.00 C ATOM 512 CD ARG A 37 10.669 -14.217 -1.898 1.00 0.00 C ATOM 513 NE ARG A 37 11.729 -14.976 -1.240 1.00 0.00 N ATOM 514 CZ ARG A 37 12.647 -15.677 -1.896 1.00 0.00 C ATOM 515 NH1 ARG A 37 12.634 -15.715 -3.222 1.00 0.00 N ATOM 516 NH2 ARG A 37 13.581 -16.341 -1.226 1.00 0.00 N ATOM 0 H ARG A 37 8.930 -12.202 1.111 1.00 0.00 H new ATOM 0 HA ARG A 37 11.047 -10.262 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.616 -11.882 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.610 -12.625 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.578 -13.782 -0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.160 -12.755 -1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.925 -14.906 -2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.086 -13.672 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 37 11.767 -14.967 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.918 -15.205 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.340 -16.254 -3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.594 -16.313 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.285 -16.879 -1.731 1.00 0.00 H new ATOM 530 N LEU A 38 8.260 -10.658 -1.176 1.00 0.00 N ATOM 531 CA LEU A 38 7.401 -10.058 -2.192 1.00 0.00 C ATOM 532 C LEU A 38 7.065 -8.614 -1.837 1.00 0.00 C ATOM 533 O LEU A 38 6.878 -7.775 -2.720 1.00 0.00 O ATOM 534 CB LEU A 38 6.115 -10.871 -2.346 1.00 0.00 C ATOM 535 CG LEU A 38 6.159 -12.013 -3.362 1.00 0.00 C ATOM 536 CD1 LEU A 38 4.927 -12.894 -3.229 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.274 -11.463 -4.777 1.00 0.00 C ATOM 0 H LEU A 38 7.827 -11.421 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 38 7.941 -10.063 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.854 -11.287 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.311 -10.191 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 38 7.039 -12.622 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.976 -13.701 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.888 -13.316 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.032 -12.297 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.304 -12.289 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.413 -10.830 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.187 -10.875 -4.866 1.00 0.00 H new ATOM 549 N ILE A 39 6.992 -8.330 -0.541 1.00 0.00 N ATOM 550 CA ILE A 39 6.680 -6.986 -0.071 1.00 0.00 C ATOM 551 C ILE A 39 7.952 -6.173 0.149 1.00 0.00 C ATOM 552 O ILE A 39 7.999 -4.981 -0.156 1.00 0.00 O ATOM 553 CB ILE A 39 5.874 -7.021 1.240 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.421 -7.410 0.960 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.941 -5.672 1.941 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.618 -6.310 0.300 1.00 0.00 C ATOM 0 H ILE A 39 7.145 -9.012 0.202 1.00 0.00 H new ATOM 0 HA ILE A 39 6.077 -6.512 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 39 6.312 -7.772 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.406 -8.293 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.940 -7.687 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.366 -5.714 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.979 -5.432 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.526 -4.903 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.598 -6.655 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.602 -5.433 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.075 -6.048 -0.654 1.00 0.00 H new ATOM 568 N ARG A 40 8.980 -6.826 0.680 1.00 0.00 N ATOM 569 CA ARG A 40 10.253 -6.164 0.941 1.00 0.00 C ATOM 570 C ARG A 40 10.841 -5.590 -0.344 1.00 0.00 C ATOM 571 O ARG A 40 11.352 -4.470 -0.359 1.00 0.00 O ATOM 572 CB ARG A 40 11.242 -7.145 1.573 1.00 0.00 C ATOM 573 CG ARG A 40 11.129 -7.235 3.086 1.00 0.00 C ATOM 574 CD ARG A 40 11.785 -6.043 3.766 1.00 0.00 C ATOM 575 NE ARG A 40 13.210 -6.262 3.998 1.00 0.00 N ATOM 576 CZ ARG A 40 13.687 -7.196 4.813 1.00 0.00 C ATOM 577 NH1 ARG A 40 12.857 -7.995 5.468 1.00 0.00 N ATOM 578 NH2 ARG A 40 14.997 -7.334 4.971 1.00 0.00 N ATOM 0 H ARG A 40 8.957 -7.813 0.938 1.00 0.00 H new ATOM 0 HA ARG A 40 10.071 -5.344 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.082 -8.135 1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.256 -6.845 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.078 -7.285 3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.597 -8.156 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.650 -5.154 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.288 -5.849 4.717 1.00 0.00 H new ATOM 0 HE ARG A 40 13.876 -5.665 3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.849 -7.893 5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.226 -8.711 6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.639 -6.723 4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.362 -8.052 5.597 1.00 0.00 H new ATOM 592 N SER A 41 10.763 -6.364 -1.421 1.00 0.00 N ATOM 593 CA SER A 41 11.292 -5.935 -2.711 1.00 0.00 C ATOM 594 C SER A 41 10.543 -4.708 -3.223 1.00 0.00 C ATOM 595 O SER A 41 11.137 -3.808 -3.818 1.00 0.00 O ATOM 596 CB SER A 41 11.191 -7.071 -3.731 1.00 0.00 C ATOM 597 OG SER A 41 11.419 -6.596 -5.047 1.00 0.00 O ATOM 0 H SER A 41 10.339 -7.292 -1.427 1.00 0.00 H new ATOM 0 HA SER A 41 12.341 -5.670 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.918 -7.846 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.204 -7.530 -3.672 1.00 0.00 H new ATOM 0 HG SER A 41 11.351 -7.341 -5.680 1.00 0.00 H new ATOM 603 N ILE A 42 9.236 -4.679 -2.987 1.00 0.00 N ATOM 604 CA ILE A 42 8.406 -3.564 -3.424 1.00 0.00 C ATOM 605 C ILE A 42 8.715 -2.303 -2.623 1.00 0.00 C ATOM 606 O ILE A 42 8.843 -1.216 -3.184 1.00 0.00 O ATOM 607 CB ILE A 42 6.907 -3.890 -3.288 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.533 -5.060 -4.198 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.066 -2.666 -3.617 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.150 -5.615 -3.933 1.00 0.00 C ATOM 0 H ILE A 42 8.729 -5.415 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 42 8.637 -3.391 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 42 6.705 -4.178 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.592 -4.735 -5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.266 -5.857 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.009 -2.913 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.317 -1.857 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.269 -2.350 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.953 -6.442 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.092 -5.971 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.408 -4.832 -4.088 1.00 0.00 H new ATOM 622 N MET A 43 8.834 -2.458 -1.309 1.00 0.00 N ATOM 623 CA MET A 43 9.132 -1.332 -0.431 1.00 0.00 C ATOM 624 C MET A 43 10.463 -0.688 -0.804 1.00 0.00 C ATOM 625 O MET A 43 10.562 0.532 -0.918 1.00 0.00 O ATOM 626 CB MET A 43 9.164 -1.791 1.028 1.00 0.00 C ATOM 627 CG MET A 43 7.788 -2.064 1.611 1.00 0.00 C ATOM 628 SD MET A 43 7.785 -2.076 3.414 1.00 0.00 S ATOM 629 CE MET A 43 8.832 -3.492 3.744 1.00 0.00 C ATOM 0 H MET A 43 8.729 -3.352 -0.828 1.00 0.00 H new ATOM 0 HA MET A 43 8.344 -0.589 -0.554 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.767 -2.696 1.102 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.659 -1.028 1.629 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.091 -1.305 1.256 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.427 -3.025 1.245 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.590 -3.903 4.724 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.667 -4.252 2.981 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.877 -3.183 3.729 1.00 0.00 H new ATOM 639 N GLU A 44 11.485 -1.519 -0.993 1.00 0.00 N ATOM 640 CA GLU A 44 12.810 -1.030 -1.352 1.00 0.00 C ATOM 641 C GLU A 44 12.834 -0.529 -2.793 1.00 0.00 C ATOM 642 O GLU A 44 13.143 0.634 -3.052 1.00 0.00 O ATOM 643 CB GLU A 44 13.853 -2.133 -1.167 1.00 0.00 C ATOM 644 CG GLU A 44 15.263 -1.608 -0.951 1.00 0.00 C ATOM 645 CD GLU A 44 16.320 -2.678 -1.146 1.00 0.00 C ATOM 646 OE1 GLU A 44 16.230 -3.428 -2.140 1.00 0.00 O ATOM 647 OE2 GLU A 44 17.238 -2.764 -0.304 1.00 0.00 O ATOM 0 H GLU A 44 11.419 -2.533 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 44 13.052 -0.197 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.570 -2.750 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.846 -2.779 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.451 -0.787 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.345 -1.201 0.057 1.00 0.00 H new ATOM 654 N GLU A 45 12.505 -1.416 -3.727 1.00 0.00 N ATOM 655 CA GLU A 45 12.490 -1.065 -5.142 1.00 0.00 C ATOM 656 C GLU A 45 11.806 0.282 -5.361 1.00 0.00 C ATOM 657 O GLU A 45 12.307 1.131 -6.099 1.00 0.00 O ATOM 658 CB GLU A 45 11.776 -2.150 -5.952 1.00 0.00 C ATOM 659 CG GLU A 45 12.568 -3.441 -6.072 1.00 0.00 C ATOM 660 CD GLU A 45 13.517 -3.433 -7.254 1.00 0.00 C ATOM 661 OE1 GLU A 45 13.057 -3.172 -8.385 1.00 0.00 O ATOM 662 OE2 GLU A 45 14.722 -3.690 -7.047 1.00 0.00 O ATOM 0 H GLU A 45 12.245 -2.382 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 45 13.523 -0.988 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.814 -2.366 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.567 -1.767 -6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.136 -3.601 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.878 -4.279 -6.170 1.00 0.00 H new ATOM 669 N CYS A 46 10.660 0.468 -4.716 1.00 0.00 N ATOM 670 CA CYS A 46 9.906 1.710 -4.841 1.00 0.00 C ATOM 671 C CYS A 46 10.738 2.901 -4.376 1.00 0.00 C ATOM 672 O CYS A 46 10.969 3.844 -5.131 1.00 0.00 O ATOM 673 CB CYS A 46 8.612 1.630 -4.028 1.00 0.00 C ATOM 674 SG CYS A 46 7.200 0.979 -4.953 1.00 0.00 S ATOM 0 H CYS A 46 10.233 -0.225 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 46 9.658 1.851 -5.893 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.782 1.001 -3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.364 2.626 -3.660 1.00 0.00 H new ATOM 0 HG CYS A 46 6.395 0.362 -4.139 1.00 0.00 H new ATOM 680 N GLY A 47 11.188 2.850 -3.125 1.00 0.00 N ATOM 681 CA GLY A 47 11.988 3.931 -2.580 1.00 0.00 C ATOM 682 C GLY A 47 12.337 3.716 -1.121 1.00 0.00 C ATOM 683 O GLY A 47 13.375 4.177 -0.648 1.00 0.00 O ATOM 0 H GLY A 47 11.013 2.079 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.906 4.027 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.445 4.870 -2.686 1.00 0.00 H new ATOM 687 N GLY A 48 11.466 3.013 -0.403 1.00 0.00 N ATOM 688 CA GLY A 48 11.704 2.751 1.004 1.00 0.00 C ATOM 689 C GLY A 48 10.475 2.996 1.856 1.00 0.00 C ATOM 690 O GLY A 48 10.581 3.430 3.004 1.00 0.00 O ATOM 0 H GLY A 48 10.600 2.620 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.028 1.718 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.518 3.385 1.356 1.00 0.00 H new ATOM 694 N VAL A 49 9.302 2.720 1.294 1.00 0.00 N ATOM 695 CA VAL A 49 8.047 2.913 2.009 1.00 0.00 C ATOM 696 C VAL A 49 7.772 1.754 2.961 1.00 0.00 C ATOM 697 O VAL A 49 8.205 0.626 2.723 1.00 0.00 O ATOM 698 CB VAL A 49 6.862 3.056 1.035 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.065 4.253 0.119 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.680 1.780 0.226 1.00 0.00 C ATOM 0 H VAL A 49 9.195 2.362 0.345 1.00 0.00 H new ATOM 0 HA VAL A 49 8.149 3.834 2.583 1.00 0.00 H new ATOM 0 HB VAL A 49 5.955 3.223 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.218 4.338 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.142 5.161 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.981 4.120 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.839 1.899 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.586 1.580 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.485 0.946 0.900 1.00 0.00 H new ATOM 710 N HIS A 50 7.047 2.039 4.037 1.00 0.00 N ATOM 711 CA HIS A 50 6.712 1.020 5.025 1.00 0.00 C ATOM 712 C HIS A 50 5.232 0.657 4.953 1.00 0.00 C ATOM 713 O HIS A 50 4.367 1.532 5.007 1.00 0.00 O ATOM 714 CB HIS A 50 7.062 1.507 6.432 1.00 0.00 C ATOM 715 CG HIS A 50 8.514 1.828 6.610 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.402 2.411 5.771 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.210 1.545 7.766 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.606 2.469 6.428 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.463 1.941 7.630 1.00 0.00 N flip ATOM 0 H HIS A 50 6.680 2.967 4.247 1.00 0.00 H new ATOM 0 HA HIS A 50 7.298 0.128 4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.472 2.395 6.658 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.776 0.742 7.154 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.796 1.073 8.645 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.521 2.880 6.027 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.196 1.854 8.334 1.00 0.00 H new ATOM 727 N ILE A 51 4.949 -0.634 4.830 1.00 0.00 N ATOM 728 CA ILE A 51 3.574 -1.110 4.751 1.00 0.00 C ATOM 729 C ILE A 51 3.152 -1.794 6.047 1.00 0.00 C ATOM 730 O ILE A 51 3.917 -2.560 6.635 1.00 0.00 O ATOM 731 CB ILE A 51 3.384 -2.093 3.580 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.939 -1.493 2.287 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.914 -2.448 3.418 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.419 -2.531 1.296 1.00 0.00 C ATOM 0 H ILE A 51 5.654 -1.370 4.783 1.00 0.00 H new ATOM 0 HA ILE A 51 2.947 -0.234 4.585 1.00 0.00 H new ATOM 0 HB ILE A 51 3.935 -3.007 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.166 -0.884 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.766 -0.826 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.797 -3.143 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.549 -2.913 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.341 -1.543 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.799 -2.034 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.214 -3.124 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.590 -3.184 1.022 1.00 0.00 H new ATOM 746 N HIS A 52 1.929 -1.514 6.487 1.00 0.00 N ATOM 747 CA HIS A 52 1.406 -2.105 7.714 1.00 0.00 C ATOM 748 C HIS A 52 0.293 -3.102 7.404 1.00 0.00 C ATOM 749 O HIS A 52 -0.644 -2.794 6.667 1.00 0.00 O ATOM 750 CB HIS A 52 0.881 -1.012 8.647 1.00 0.00 C ATOM 751 CG HIS A 52 1.959 -0.136 9.206 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.214 -0.025 10.557 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.850 0.675 8.590 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.214 0.816 10.747 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.620 1.254 9.568 1.00 0.00 N ATOM 0 H HIS A 52 1.283 -0.883 6.013 1.00 0.00 H new ATOM 0 HA HIS A 52 2.219 -2.636 8.209 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.167 -0.394 8.104 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.339 -1.477 9.470 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.939 0.837 7.526 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.629 1.098 11.703 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.381 1.914 9.410 1.00 0.00 H new ATOM 763 N PHE A 53 0.403 -4.299 7.971 1.00 0.00 N ATOM 764 CA PHE A 53 -0.592 -5.342 7.754 1.00 0.00 C ATOM 765 C PHE A 53 -1.131 -5.864 9.083 1.00 0.00 C ATOM 766 O PHE A 53 -0.393 -6.382 9.921 1.00 0.00 O ATOM 767 CB PHE A 53 0.013 -6.494 6.949 1.00 0.00 C ATOM 768 CG PHE A 53 -0.059 -6.290 5.463 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.276 -6.346 4.801 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.088 -6.042 4.727 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.344 -6.159 3.434 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.025 -5.853 3.360 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.194 -5.911 2.712 1.00 0.00 C ATOM 0 H PHE A 53 1.172 -4.570 8.584 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.419 -4.909 7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.056 -6.622 7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.505 -7.418 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.180 -6.538 5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.044 -5.996 5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.298 -6.207 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.927 -5.660 2.799 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.247 -5.763 1.644 1.00 0.00 H new ATOM 783 N PRO A 54 -2.451 -5.725 9.280 1.00 0.00 N ATOM 784 CA PRO A 54 -3.119 -6.176 10.505 1.00 0.00 C ATOM 785 C PRO A 54 -3.164 -7.697 10.615 1.00 0.00 C ATOM 786 O PRO A 54 -3.315 -8.398 9.615 1.00 0.00 O ATOM 787 CB PRO A 54 -4.534 -5.609 10.365 1.00 0.00 C ATOM 788 CG PRO A 54 -4.739 -5.458 8.897 1.00 0.00 C ATOM 789 CD PRO A 54 -3.392 -5.119 8.324 1.00 0.00 C ATOM 0 HA PRO A 54 -2.597 -5.842 11.401 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.274 -6.280 10.801 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.630 -4.652 10.878 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.128 -6.378 8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.463 -4.672 8.683 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.267 -5.530 7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.248 -4.041 8.247 1.00 0.00 H new ATOM 797 N VAL A 55 -3.030 -8.201 11.838 1.00 0.00 N ATOM 798 CA VAL A 55 -3.056 -9.638 12.079 1.00 0.00 C ATOM 799 C VAL A 55 -4.482 -10.176 12.040 1.00 0.00 C ATOM 800 O VAL A 55 -5.414 -9.524 12.510 1.00 0.00 O ATOM 801 CB VAL A 55 -2.423 -9.991 13.439 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.280 -11.498 13.586 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.075 -9.302 13.592 1.00 0.00 C ATOM 0 H VAL A 55 -2.902 -7.635 12.677 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.473 -10.103 11.284 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.081 -9.634 14.231 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.831 -11.728 14.552 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.263 -11.965 13.522 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.643 -11.882 12.789 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.641 -9.562 14.558 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.407 -9.628 12.795 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.210 -8.222 13.533 1.00 0.00 H new ATOM 813 N GLU A 56 -4.644 -11.369 11.478 1.00 0.00 N ATOM 814 CA GLU A 56 -5.957 -11.995 11.378 1.00 0.00 C ATOM 815 C GLU A 56 -6.780 -11.736 12.636 1.00 0.00 C ATOM 816 O GLU A 56 -7.969 -11.429 12.563 1.00 0.00 O ATOM 817 CB GLU A 56 -5.814 -13.501 11.149 1.00 0.00 C ATOM 818 CG GLU A 56 -5.678 -13.884 9.684 1.00 0.00 C ATOM 819 CD GLU A 56 -4.415 -13.333 9.052 1.00 0.00 C ATOM 820 OE1 GLU A 56 -4.195 -12.106 9.139 1.00 0.00 O ATOM 821 OE2 GLU A 56 -3.647 -14.127 8.469 1.00 0.00 O ATOM 0 H GLU A 56 -3.882 -11.922 11.085 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.477 -11.554 10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.941 -13.861 11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.683 -14.008 11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.680 -14.970 9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.545 -13.517 9.134 1.00 0.00 H new ATOM 828 N GLY A 57 -6.137 -11.865 13.793 1.00 0.00 N ATOM 829 CA GLY A 57 -6.824 -11.643 15.052 1.00 0.00 C ATOM 830 C GLY A 57 -7.663 -10.381 15.040 1.00 0.00 C ATOM 831 O GLY A 57 -8.859 -10.420 15.331 1.00 0.00 O ATOM 0 H GLY A 57 -5.153 -12.119 13.881 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.463 -12.499 15.269 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.091 -11.581 15.856 1.00 0.00 H new ATOM 835 N SER A 58 -7.037 -9.258 14.704 1.00 0.00 N ATOM 836 CA SER A 58 -7.732 -7.978 14.662 1.00 0.00 C ATOM 837 C SER A 58 -8.887 -8.020 13.664 1.00 0.00 C ATOM 838 O SER A 58 -9.986 -7.548 13.950 1.00 0.00 O ATOM 839 CB SER A 58 -6.760 -6.858 14.286 1.00 0.00 C ATOM 840 OG SER A 58 -7.240 -5.597 14.723 1.00 0.00 O ATOM 0 H SER A 58 -6.049 -9.209 14.457 1.00 0.00 H new ATOM 0 HA SER A 58 -8.138 -7.780 15.654 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.785 -7.054 14.732 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.619 -6.842 13.205 1.00 0.00 H new ATOM 0 HG SER A 58 -6.600 -4.899 14.472 1.00 0.00 H new ATOM 846 N GLY A 59 -8.627 -8.589 12.491 1.00 0.00 N ATOM 847 CA GLY A 59 -9.653 -8.684 11.469 1.00 0.00 C ATOM 848 C GLY A 59 -9.834 -7.385 10.709 1.00 0.00 C ATOM 849 O GLY A 59 -10.960 -6.978 10.422 1.00 0.00 O ATOM 0 H GLY A 59 -7.724 -8.986 12.230 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.392 -9.478 10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.599 -8.965 11.932 1.00 0.00 H new ATOM 853 N SER A 60 -8.724 -6.731 10.384 1.00 0.00 N ATOM 854 CA SER A 60 -8.766 -5.466 9.658 1.00 0.00 C ATOM 855 C SER A 60 -8.348 -5.662 8.203 1.00 0.00 C ATOM 856 O SER A 60 -7.200 -6.003 7.916 1.00 0.00 O ATOM 857 CB SER A 60 -7.853 -4.439 10.329 1.00 0.00 C ATOM 858 OG SER A 60 -7.880 -3.204 9.633 1.00 0.00 O ATOM 0 H SER A 60 -7.784 -7.056 10.612 1.00 0.00 H new ATOM 0 HA SER A 60 -9.791 -5.097 9.677 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.169 -4.286 11.361 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.832 -4.820 10.361 1.00 0.00 H new ATOM 0 HG SER A 60 -7.290 -2.563 10.081 1.00 0.00 H new ATOM 864 N ASP A 61 -9.288 -5.444 7.290 1.00 0.00 N ATOM 865 CA ASP A 61 -9.019 -5.594 5.864 1.00 0.00 C ATOM 866 C ASP A 61 -8.494 -4.291 5.271 1.00 0.00 C ATOM 867 O ASP A 61 -8.822 -3.935 4.138 1.00 0.00 O ATOM 868 CB ASP A 61 -10.287 -6.031 5.128 1.00 0.00 C ATOM 869 CG ASP A 61 -10.930 -7.251 5.756 1.00 0.00 C ATOM 870 OD1 ASP A 61 -10.471 -8.377 5.469 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.892 -7.083 6.534 1.00 0.00 O ATOM 0 H ASP A 61 -10.243 -5.163 7.512 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.255 -6.361 5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.002 -5.209 5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.043 -6.247 4.088 1.00 0.00 H new ATOM 876 N THR A 62 -7.676 -3.581 6.042 1.00 0.00 N ATOM 877 CA THR A 62 -7.108 -2.317 5.594 1.00 0.00 C ATOM 878 C THR A 62 -5.585 -2.352 5.639 1.00 0.00 C ATOM 879 O THR A 62 -4.994 -2.897 6.572 1.00 0.00 O ATOM 880 CB THR A 62 -7.609 -1.140 6.452 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.028 -1.006 6.320 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.931 0.158 6.038 1.00 0.00 C ATOM 0 H THR A 62 -7.392 -3.861 6.981 1.00 0.00 H new ATOM 0 HA THR A 62 -7.435 -2.171 4.564 1.00 0.00 H new ATOM 0 HB THR A 62 -7.360 -1.346 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.338 -0.257 6.870 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.300 0.975 6.658 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.853 0.063 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.153 0.367 4.992 1.00 0.00 H new ATOM 890 N VAL A 63 -4.953 -1.767 4.626 1.00 0.00 N ATOM 891 CA VAL A 63 -3.497 -1.731 4.551 1.00 0.00 C ATOM 892 C VAL A 63 -2.979 -0.298 4.627 1.00 0.00 C ATOM 893 O VAL A 63 -3.157 0.487 3.696 1.00 0.00 O ATOM 894 CB VAL A 63 -2.985 -2.383 3.254 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.473 -2.260 3.154 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.415 -3.840 3.184 1.00 0.00 C ATOM 0 H VAL A 63 -5.427 -1.312 3.846 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.122 -2.296 5.404 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.425 -1.857 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.130 -2.727 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.193 -1.207 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.010 -2.758 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.044 -4.285 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.006 -4.381 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.503 -3.900 3.204 1.00 0.00 H new ATOM 906 N VAL A 64 -2.335 0.034 5.741 1.00 0.00 N ATOM 907 CA VAL A 64 -1.789 1.371 5.938 1.00 0.00 C ATOM 908 C VAL A 64 -0.330 1.439 5.498 1.00 0.00 C ATOM 909 O VAL A 64 0.512 0.689 5.992 1.00 0.00 O ATOM 910 CB VAL A 64 -1.891 1.808 7.412 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.332 3.211 7.592 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.332 1.733 7.891 1.00 0.00 C ATOM 0 H VAL A 64 -2.179 -0.605 6.521 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.382 2.049 5.325 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.296 1.125 8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.412 3.503 8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.285 3.227 7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.898 3.910 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.385 2.045 8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.952 2.392 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.693 0.709 7.800 1.00 0.00 H new ATOM 922 N ILE A 65 -0.040 2.343 4.569 1.00 0.00 N ATOM 923 CA ILE A 65 1.317 2.509 4.064 1.00 0.00 C ATOM 924 C ILE A 65 1.858 3.897 4.391 1.00 0.00 C ATOM 925 O ILE A 65 1.112 4.877 4.414 1.00 0.00 O ATOM 926 CB ILE A 65 1.383 2.291 2.541 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.747 0.950 2.168 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.824 2.353 2.058 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.615 0.738 0.677 1.00 0.00 C ATOM 0 H ILE A 65 -0.726 2.971 4.151 1.00 0.00 H new ATOM 0 HA ILE A 65 1.931 1.755 4.557 1.00 0.00 H new ATOM 0 HB ILE A 65 0.822 3.087 2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.346 0.143 2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.241 0.886 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.853 2.197 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.245 3.330 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.407 1.577 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.157 -0.232 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.009 1.524 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.602 0.769 0.216 1.00 0.00 H new ATOM 941 N ARG A 66 3.161 3.975 4.641 1.00 0.00 N ATOM 942 CA ARG A 66 3.803 5.243 4.966 1.00 0.00 C ATOM 943 C ARG A 66 4.992 5.502 4.046 1.00 0.00 C ATOM 944 O ARG A 66 5.627 4.568 3.558 1.00 0.00 O ATOM 945 CB ARG A 66 4.263 5.248 6.425 1.00 0.00 C ATOM 946 CG ARG A 66 3.212 5.766 7.393 1.00 0.00 C ATOM 947 CD ARG A 66 3.500 5.319 8.818 1.00 0.00 C ATOM 948 NE ARG A 66 4.362 6.263 9.524 1.00 0.00 N ATOM 949 CZ ARG A 66 5.684 6.279 9.409 1.00 0.00 C ATOM 950 NH1 ARG A 66 6.295 5.406 8.619 1.00 0.00 N ATOM 951 NH2 ARG A 66 6.400 7.169 10.084 1.00 0.00 N ATOM 0 H ARG A 66 3.793 3.175 4.625 1.00 0.00 H new ATOM 0 HA ARG A 66 3.072 6.039 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.542 4.234 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.159 5.862 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.182 6.855 7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.228 5.408 7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.561 5.210 9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.974 4.338 8.801 1.00 0.00 H new ATOM 0 HE ARG A 66 3.924 6.948 10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.749 4.720 8.098 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.311 5.421 8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.934 7.842 10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.416 7.180 9.994 1.00 0.00 H new ATOM 965 N GLY A 67 5.288 6.777 3.813 1.00 0.00 N ATOM 966 CA GLY A 67 6.399 7.136 2.952 1.00 0.00 C ATOM 967 C GLY A 67 6.045 8.244 1.980 1.00 0.00 C ATOM 968 O GLY A 67 4.993 8.874 2.080 1.00 0.00 O ATOM 0 H GLY A 67 4.778 7.568 4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.243 7.451 3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.721 6.257 2.394 1.00 0.00 H new ATOM 972 N PRO A 68 6.939 8.496 1.012 1.00 0.00 N ATOM 973 CA PRO A 68 6.738 9.538 0.000 1.00 0.00 C ATOM 974 C PRO A 68 5.628 9.184 -0.983 1.00 0.00 C ATOM 975 O PRO A 68 5.733 8.210 -1.728 1.00 0.00 O ATOM 976 CB PRO A 68 8.088 9.599 -0.718 1.00 0.00 C ATOM 977 CG PRO A 68 8.687 8.249 -0.518 1.00 0.00 C ATOM 978 CD PRO A 68 8.215 7.783 0.832 1.00 0.00 C ATOM 0 HA PRO A 68 6.433 10.485 0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.963 9.823 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.724 10.380 -0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.369 7.561 -1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.775 8.295 -0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.078 6.702 0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.929 8.034 1.616 1.00 0.00 H new ATOM 986 N SER A 69 4.564 9.981 -0.980 1.00 0.00 N ATOM 987 CA SER A 69 3.432 9.749 -1.869 1.00 0.00 C ATOM 988 C SER A 69 3.902 9.205 -3.215 1.00 0.00 C ATOM 989 O SER A 69 3.541 8.096 -3.608 1.00 0.00 O ATOM 990 CB SER A 69 2.646 11.046 -2.076 1.00 0.00 C ATOM 991 OG SER A 69 3.499 12.099 -2.490 1.00 0.00 O ATOM 0 H SER A 69 4.462 10.793 -0.371 1.00 0.00 H new ATOM 0 HA SER A 69 2.781 9.008 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.869 10.888 -2.824 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.145 11.323 -1.149 1.00 0.00 H new ATOM 0 HG SER A 69 2.973 12.916 -2.617 1.00 0.00 H new ATOM 997 N SER A 70 4.710 9.994 -3.916 1.00 0.00 N ATOM 998 CA SER A 70 5.226 9.595 -5.220 1.00 0.00 C ATOM 999 C SER A 70 5.490 8.092 -5.262 1.00 0.00 C ATOM 1000 O SER A 70 5.169 7.422 -6.244 1.00 0.00 O ATOM 1001 CB SER A 70 6.513 10.359 -5.538 1.00 0.00 C ATOM 1002 OG SER A 70 6.876 10.201 -6.898 1.00 0.00 O ATOM 0 H SER A 70 5.021 10.913 -3.603 1.00 0.00 H new ATOM 0 HA SER A 70 4.474 9.836 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.376 11.417 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.320 10.001 -4.899 1.00 0.00 H new ATOM 0 HG SER A 70 7.700 10.700 -7.077 1.00 0.00 H new ATOM 1008 N ASP A 71 6.077 7.570 -4.191 1.00 0.00 N ATOM 1009 CA ASP A 71 6.384 6.148 -4.104 1.00 0.00 C ATOM 1010 C ASP A 71 5.174 5.361 -3.610 1.00 0.00 C ATOM 1011 O ASP A 71 4.904 4.256 -4.082 1.00 0.00 O ATOM 1012 CB ASP A 71 7.574 5.917 -3.172 1.00 0.00 C ATOM 1013 CG ASP A 71 8.741 6.832 -3.485 1.00 0.00 C ATOM 1014 OD1 ASP A 71 8.500 8.022 -3.778 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.895 6.359 -3.435 1.00 0.00 O ATOM 0 H ASP A 71 6.350 8.111 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 71 6.642 5.795 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.259 6.074 -2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.898 4.879 -3.252 1.00 0.00 H new ATOM 1020 N VAL A 72 4.449 5.936 -2.655 1.00 0.00 N ATOM 1021 CA VAL A 72 3.269 5.288 -2.096 1.00 0.00 C ATOM 1022 C VAL A 72 2.256 4.957 -3.187 1.00 0.00 C ATOM 1023 O VAL A 72 1.539 3.960 -3.098 1.00 0.00 O ATOM 1024 CB VAL A 72 2.592 6.176 -1.035 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.367 5.480 -0.460 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.577 6.535 0.066 1.00 0.00 C ATOM 0 H VAL A 72 4.659 6.850 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 72 3.607 4.365 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 72 2.265 7.099 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.901 6.122 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.654 5.278 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.667 4.540 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.082 7.163 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.936 5.624 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.420 7.076 -0.363 1.00 0.00 H new ATOM 1036 N GLU A 73 2.204 5.798 -4.214 1.00 0.00 N ATOM 1037 CA GLU A 73 1.279 5.594 -5.322 1.00 0.00 C ATOM 1038 C GLU A 73 1.681 4.377 -6.150 1.00 0.00 C ATOM 1039 O GLU A 73 0.830 3.631 -6.637 1.00 0.00 O ATOM 1040 CB GLU A 73 1.231 6.837 -6.213 1.00 0.00 C ATOM 1041 CG GLU A 73 2.602 7.325 -6.650 1.00 0.00 C ATOM 1042 CD GLU A 73 2.548 8.163 -7.912 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.748 7.829 -8.812 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.304 9.152 -8.001 1.00 0.00 O ATOM 0 H GLU A 73 2.791 6.627 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 73 0.288 5.417 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.634 6.617 -7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.723 7.639 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.047 7.912 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.253 6.467 -6.816 1.00 0.00 H new ATOM 1051 N LYS A 74 2.987 4.181 -6.307 1.00 0.00 N ATOM 1052 CA LYS A 74 3.505 3.055 -7.074 1.00 0.00 C ATOM 1053 C LYS A 74 3.431 1.764 -6.265 1.00 0.00 C ATOM 1054 O LYS A 74 3.268 0.679 -6.822 1.00 0.00 O ATOM 1055 CB LYS A 74 4.950 3.323 -7.498 1.00 0.00 C ATOM 1056 CG LYS A 74 5.168 4.709 -8.079 1.00 0.00 C ATOM 1057 CD LYS A 74 6.610 4.911 -8.514 1.00 0.00 C ATOM 1058 CE LYS A 74 7.458 5.475 -7.384 1.00 0.00 C ATOM 1059 NZ LYS A 74 8.824 5.845 -7.849 1.00 0.00 N ATOM 0 H LYS A 74 3.705 4.788 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 74 2.887 2.939 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.603 3.194 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.247 2.578 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.506 4.855 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.902 5.462 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.028 3.960 -8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.642 5.588 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.967 6.353 -6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.533 4.739 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.371 6.225 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.302 5.002 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.753 6.566 -8.595 1.00 0.00 H new ATOM 1073 N ALA A 75 3.552 1.890 -4.947 1.00 0.00 N ATOM 1074 CA ALA A 75 3.495 0.734 -4.061 1.00 0.00 C ATOM 1075 C ALA A 75 2.071 0.198 -3.948 1.00 0.00 C ATOM 1076 O ALA A 75 1.857 -1.013 -3.879 1.00 0.00 O ATOM 1077 CB ALA A 75 4.035 1.096 -2.685 1.00 0.00 C ATOM 0 H ALA A 75 3.690 2.781 -4.470 1.00 0.00 H new ATOM 0 HA ALA A 75 4.118 -0.051 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.986 0.223 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.071 1.424 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.435 1.900 -2.259 1.00 0.00 H new ATOM 1083 N LYS A 76 1.102 1.106 -3.930 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.302 0.724 -3.826 1.00 0.00 C ATOM 1085 C LYS A 76 -0.785 0.071 -5.117 1.00 0.00 C ATOM 1086 O LYS A 76 -1.454 -0.962 -5.089 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.162 1.949 -3.509 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.654 1.664 -3.517 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.255 1.875 -4.896 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.754 2.121 -4.819 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.263 2.832 -6.024 1.00 0.00 N ATOM 0 H LYS A 76 1.262 2.112 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.397 0.001 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.880 2.337 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.946 2.732 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.831 0.638 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.153 2.314 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.770 2.723 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.060 1.000 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.273 1.168 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.980 2.708 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.288 2.980 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.786 3.752 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.070 2.261 -6.871 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.441 0.680 -6.247 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.837 0.156 -7.549 1.00 0.00 C ATOM 1107 C LYS A 77 -0.185 -1.197 -7.812 1.00 0.00 C ATOM 1108 O LYS A 77 -0.716 -2.016 -8.561 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.457 1.142 -8.655 1.00 0.00 C ATOM 1110 CG LYS A 77 0.993 1.031 -9.097 1.00 0.00 C ATOM 1111 CD LYS A 77 1.310 2.005 -10.219 1.00 0.00 C ATOM 1112 CE LYS A 77 0.894 1.451 -11.572 1.00 0.00 C ATOM 1113 NZ LYS A 77 -0.553 1.681 -11.845 1.00 0.00 N ATOM 0 H LYS A 77 0.111 1.537 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.919 0.023 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.104 0.976 -9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.645 2.157 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.649 1.226 -8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.196 0.013 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.797 2.949 -10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.379 2.219 -10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.490 1.919 -12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.105 0.382 -11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.086 0.810 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.904 2.448 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.680 1.946 -12.843 1.00 0.00 H new ATOM 1127 N GLN A 78 0.968 -1.424 -7.191 1.00 0.00 N ATOM 1128 CA GLN A 78 1.691 -2.679 -7.359 1.00 0.00 C ATOM 1129 C GLN A 78 1.094 -3.773 -6.480 1.00 0.00 C ATOM 1130 O GLN A 78 1.005 -4.933 -6.888 1.00 0.00 O ATOM 1131 CB GLN A 78 3.171 -2.488 -7.022 1.00 0.00 C ATOM 1132 CG GLN A 78 3.962 -1.802 -8.124 1.00 0.00 C ATOM 1133 CD GLN A 78 5.376 -1.456 -7.699 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.221 -2.337 -7.539 1.00 0.00 O ATOM 1135 NE2 GLN A 78 5.640 -0.168 -7.513 1.00 0.00 N ATOM 0 H GLN A 78 1.421 -0.756 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 78 1.599 -2.986 -8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.254 -1.901 -6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.617 -3.461 -6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.998 -2.452 -8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.444 -0.891 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.909 0.528 -7.657 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.574 0.125 -7.226 1.00 0.00 H new ATOM 1144 N LEU A 79 0.688 -3.399 -5.272 1.00 0.00 N ATOM 1145 CA LEU A 79 0.099 -4.349 -4.335 1.00 0.00 C ATOM 1146 C LEU A 79 -1.230 -4.881 -4.860 1.00 0.00 C ATOM 1147 O LEU A 79 -1.531 -6.068 -4.730 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.106 -3.688 -2.970 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.015 -4.613 -1.755 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.415 -4.678 -1.240 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -0.959 -4.146 -0.658 1.00 0.00 C ATOM 0 H LEU A 79 0.756 -2.445 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 79 0.786 -5.188 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.636 -2.898 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.085 -3.209 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.315 -5.615 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.461 -5.340 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.067 -5.060 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.743 -3.680 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.881 -4.816 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.691 -3.134 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.983 -4.153 -1.032 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.021 -3.996 -5.456 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.318 -4.376 -6.004 1.00 0.00 C ATOM 1165 C LEU A 80 -3.154 -5.359 -7.160 1.00 0.00 C ATOM 1166 O LEU A 80 -3.776 -6.422 -7.177 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.077 -3.136 -6.480 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.906 -2.409 -5.420 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.000 -1.772 -4.378 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.798 -1.360 -6.068 1.00 0.00 C ATOM 0 H LEU A 80 -1.787 -3.010 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.889 -4.863 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.357 -2.431 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.741 -3.431 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.542 -3.139 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.608 -1.259 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.405 -2.545 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.337 -1.054 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.381 -0.853 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.180 -0.632 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.473 -1.843 -6.775 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.312 -4.998 -8.123 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.064 -5.850 -9.280 1.00 0.00 C ATOM 1184 C HIS A 81 -1.704 -7.267 -8.845 1.00 0.00 C ATOM 1185 O HIS A 81 -2.123 -8.244 -9.468 1.00 0.00 O ATOM 1186 CB HIS A 81 -0.939 -5.267 -10.137 1.00 0.00 C ATOM 1187 CG HIS A 81 -0.984 -5.711 -11.566 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.059 -5.471 -12.397 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.077 -6.382 -12.313 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.811 -5.978 -13.591 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.614 -6.536 -13.568 1.00 0.00 N ATOM 0 H HIS A 81 -1.790 -4.122 -8.125 1.00 0.00 H new ATOM 0 HA HIS A 81 -2.979 -5.892 -9.872 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.993 -4.179 -10.101 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.020 -5.553 -9.706 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.890 -6.732 -11.984 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.475 -5.942 -14.442 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.162 -7.005 -14.353 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.927 -7.372 -7.773 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.511 -8.671 -7.254 1.00 0.00 C ATOM 1201 C LEU A 82 -1.646 -9.340 -6.486 1.00 0.00 C ATOM 1202 O LEU A 82 -2.128 -10.404 -6.873 1.00 0.00 O ATOM 1203 CB LEU A 82 0.710 -8.512 -6.346 1.00 0.00 C ATOM 1204 CG LEU A 82 1.930 -7.838 -6.975 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.914 -7.404 -5.899 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.604 -8.774 -7.969 1.00 0.00 C ATOM 0 H LEU A 82 -0.572 -6.574 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.247 -9.305 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.413 -7.936 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.007 -9.500 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 82 1.594 -6.951 -7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.776 -6.926 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.428 -6.698 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.244 -8.276 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.470 -8.277 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.926 -9.680 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.899 -9.036 -8.758 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.070 -8.707 -5.398 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.152 -9.239 -4.578 1.00 0.00 C ATOM 1220 C ALA A 83 -4.296 -9.754 -5.445 1.00 0.00 C ATOM 1221 O ALA A 83 -4.880 -10.799 -5.160 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.656 -8.174 -3.614 1.00 0.00 C ATOM 0 H ALA A 83 -1.681 -7.825 -5.063 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.760 -10.078 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.464 -8.585 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.841 -7.856 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.025 -7.318 -4.178 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.611 -9.013 -6.502 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.686 -9.396 -7.409 1.00 0.00 C ATOM 1230 C GLU A 84 -5.251 -10.544 -8.317 1.00 0.00 C ATOM 1231 O GLU A 84 -5.970 -11.529 -8.475 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.120 -8.198 -8.257 1.00 0.00 C ATOM 1233 CG GLU A 84 -5.239 -7.961 -9.471 1.00 0.00 C ATOM 1234 CD GLU A 84 -5.729 -6.814 -10.334 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -6.301 -5.855 -9.775 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -5.542 -6.875 -11.567 1.00 0.00 O ATOM 0 H GLU A 84 -4.137 -8.145 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.531 -9.732 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.147 -8.351 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.116 -7.303 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.221 -7.753 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.201 -8.871 -10.070 1.00 0.00 H new ATOM 1243 N GLU A 85 -4.068 -10.406 -8.909 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.538 -11.430 -9.800 1.00 0.00 C ATOM 1245 C GLU A 85 -3.509 -12.790 -9.111 1.00 0.00 C ATOM 1246 O GLU A 85 -4.097 -13.758 -9.595 1.00 0.00 O ATOM 1247 CB GLU A 85 -2.131 -11.052 -10.267 1.00 0.00 C ATOM 1248 CG GLU A 85 -2.113 -10.226 -11.542 1.00 0.00 C ATOM 1249 CD GLU A 85 -2.315 -11.068 -12.786 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -3.108 -12.031 -12.729 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -1.679 -10.764 -13.817 1.00 0.00 O ATOM 0 H GLU A 85 -3.460 -9.596 -8.787 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.195 -11.496 -10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.633 -10.493 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.553 -11.963 -10.426 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.895 -9.468 -11.490 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.162 -9.699 -11.615 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.822 -12.858 -7.976 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.716 -14.098 -7.217 1.00 0.00 C ATOM 1260 C LYS A 86 -4.011 -14.898 -7.299 1.00 0.00 C ATOM 1261 O LYS A 86 -3.990 -16.107 -7.531 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.381 -13.797 -5.754 1.00 0.00 C ATOM 1263 CG LYS A 86 -1.038 -13.114 -5.565 1.00 0.00 C ATOM 1264 CD LYS A 86 0.101 -14.119 -5.535 1.00 0.00 C ATOM 1265 CE LYS A 86 1.252 -13.631 -4.669 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.400 -14.580 -4.686 1.00 0.00 N ATOM 0 H LYS A 86 -2.329 -12.067 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.914 -14.694 -7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.163 -13.164 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.387 -14.729 -5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.874 -12.402 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.046 -12.545 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.264 -15.073 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.458 -14.297 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.583 -12.654 -5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.905 -13.499 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.877 -14.564 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.053 -15.541 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.072 -14.298 -5.428 1.00 0.00 H new