USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 18 THR OG1 : rot 35:sc= -1.32 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 23 MET CE :methyl 142:sc= -0.698 (180deg=-2.74!) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= 2.39 (180deg=2.1) USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= -0.046 (180deg=-0.384) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.377 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= 1.2 (180deg=1.13) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 44 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.21) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -128:sc= -2.87 (180deg=-5.91!) USER MOD Single : A 55 GLN : amide:sc= -0.114 K(o=-0.11,f=-3.4!) USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= 0.149 (180deg=0.105) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.11) USER MOD Single : A 77 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.0041) USER MOD Single : A 78 GLN : amide:sc= -0.851 K(o=-0.85,f=-5!) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 161:sc= -2.52 (180deg=-3.32!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 18 -3.141 -9.074 -3.184 1.00 0.00 N ATOM 166 CA THR A 18 -4.159 -8.041 -3.174 1.00 0.00 C ATOM 167 C THR A 18 -3.533 -6.660 -3.332 1.00 0.00 C ATOM 168 O THR A 18 -2.593 -6.302 -2.618 1.00 0.00 O ATOM 169 CB THR A 18 -4.997 -8.104 -1.882 1.00 0.00 C ATOM 170 OG1 THR A 18 -5.652 -9.377 -1.805 1.00 0.00 O ATOM 171 CG2 THR A 18 -6.038 -6.995 -1.828 1.00 0.00 C ATOM 0 HA THR A 18 -4.821 -8.219 -4.021 1.00 0.00 H new ATOM 0 HB THR A 18 -4.323 -7.970 -1.036 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.073 -10.067 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.607 -7.075 -0.902 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.540 -6.026 -1.865 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.714 -7.088 -2.678 1.00 0.00 H new ATOM 179 N VAL A 19 -4.041 -5.910 -4.296 1.00 0.00 N ATOM 180 CA VAL A 19 -3.591 -4.554 -4.539 1.00 0.00 C ATOM 181 C VAL A 19 -4.786 -3.647 -4.816 1.00 0.00 C ATOM 182 O VAL A 19 -5.619 -3.945 -5.673 1.00 0.00 O ATOM 183 CB VAL A 19 -2.581 -4.492 -5.715 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.126 -5.195 -6.952 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.216 -3.050 -6.036 1.00 0.00 C ATOM 0 H VAL A 19 -4.775 -6.225 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.077 -4.205 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.678 -5.016 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.394 -5.133 -7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.322 -6.242 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.052 -4.714 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.507 -3.030 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.115 -2.501 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.764 -2.585 -5.160 1.00 0.00 H new ATOM 195 N GLN A 20 -4.889 -2.566 -4.062 1.00 0.00 N ATOM 196 CA GLN A 20 -5.968 -1.608 -4.253 1.00 0.00 C ATOM 197 C GLN A 20 -5.424 -0.316 -4.837 1.00 0.00 C ATOM 198 O GLN A 20 -4.506 0.287 -4.279 1.00 0.00 O ATOM 199 CB GLN A 20 -6.698 -1.334 -2.933 1.00 0.00 C ATOM 200 CG GLN A 20 -7.486 -2.529 -2.419 1.00 0.00 C ATOM 201 CD GLN A 20 -8.327 -2.222 -1.189 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.857 -1.321 -0.336 1.00 0.00 O flip ATOM 203 NE2 GLN A 20 -9.390 -2.812 -0.994 1.00 0.00 N flip ATOM 0 H GLN A 20 -4.240 -2.329 -3.312 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.686 -2.036 -4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.970 -1.037 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.377 -0.492 -3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.138 -2.892 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.793 -3.336 -2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.723 -3.499 -1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.937 -2.613 -0.157 1.00 0.00 H new ATOM 212 N GLU A 21 -5.974 0.083 -5.975 1.00 0.00 N ATOM 213 CA GLU A 21 -5.551 1.302 -6.640 1.00 0.00 C ATOM 214 C GLU A 21 -6.511 2.435 -6.343 1.00 0.00 C ATOM 215 O GLU A 21 -7.706 2.349 -6.632 1.00 0.00 O ATOM 216 CB GLU A 21 -5.427 1.079 -8.144 1.00 0.00 C ATOM 217 CG GLU A 21 -4.350 0.070 -8.480 1.00 0.00 C ATOM 218 CD GLU A 21 -4.100 -0.088 -9.962 1.00 0.00 C ATOM 219 OE1 GLU A 21 -4.809 -0.888 -10.610 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.176 0.568 -10.483 1.00 0.00 O ATOM 0 H GLU A 21 -6.717 -0.424 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.570 1.578 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.383 0.735 -8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.202 2.026 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.421 0.370 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.630 -0.898 -8.063 1.00 0.00 H new ATOM 227 N ILE A 22 -5.981 3.490 -5.747 1.00 0.00 N ATOM 228 CA ILE A 22 -6.797 4.625 -5.342 1.00 0.00 C ATOM 229 C ILE A 22 -6.550 5.809 -6.265 1.00 0.00 C ATOM 230 O ILE A 22 -5.475 5.931 -6.848 1.00 0.00 O ATOM 231 CB ILE A 22 -6.488 5.073 -3.895 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.192 3.864 -2.992 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.663 5.870 -3.330 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.357 2.905 -2.831 1.00 0.00 C ATOM 0 H ILE A 22 -4.988 3.585 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.836 4.301 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.601 5.706 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.342 3.319 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.895 4.225 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.435 6.181 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.836 6.751 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.558 5.247 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.063 2.082 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.204 3.432 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.642 2.512 -3.807 1.00 0.00 H new ATOM 246 N MET A 23 -7.557 6.661 -6.406 1.00 0.00 N ATOM 247 CA MET A 23 -7.404 7.929 -7.095 1.00 0.00 C ATOM 248 C MET A 23 -7.326 9.036 -6.060 1.00 0.00 C ATOM 249 O MET A 23 -8.351 9.568 -5.621 1.00 0.00 O ATOM 250 CB MET A 23 -8.584 8.180 -8.031 1.00 0.00 C ATOM 251 CG MET A 23 -8.739 7.155 -9.148 1.00 0.00 C ATOM 252 SD MET A 23 -7.649 7.446 -10.566 1.00 0.00 S ATOM 253 CE MET A 23 -6.110 6.706 -10.020 1.00 0.00 C ATOM 0 H MET A 23 -8.497 6.491 -6.047 1.00 0.00 H new ATOM 0 HA MET A 23 -6.494 7.907 -7.694 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.501 8.197 -7.442 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.473 9.169 -8.476 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.540 6.161 -8.747 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.774 7.159 -9.491 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.627 6.208 -10.861 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.451 7.482 -9.631 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.315 5.977 -9.236 1.00 0.00 H new ATOM 263 N ILE A 24 -6.113 9.360 -5.655 1.00 0.00 N ATOM 264 CA ILE A 24 -5.902 10.331 -4.595 1.00 0.00 C ATOM 265 C ILE A 24 -6.029 11.754 -5.135 1.00 0.00 C ATOM 266 O ILE A 24 -5.525 12.055 -6.217 1.00 0.00 O ATOM 267 CB ILE A 24 -4.513 10.147 -3.929 1.00 0.00 C ATOM 268 CG1 ILE A 24 -4.343 8.710 -3.434 1.00 0.00 C ATOM 269 CG2 ILE A 24 -4.323 11.130 -2.784 1.00 0.00 C ATOM 270 CD1 ILE A 24 -5.439 8.254 -2.502 1.00 0.00 C ATOM 0 H ILE A 24 -5.257 8.965 -6.044 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.671 10.164 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.749 10.350 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.308 8.041 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.384 8.623 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.341 10.980 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.396 12.149 -3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.095 10.967 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.250 7.226 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.461 8.898 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.399 8.308 -3.015 1.00 0.00 H new ATOM 282 N PRO A 25 -6.757 12.624 -4.408 1.00 0.00 N ATOM 283 CA PRO A 25 -6.836 14.055 -4.717 1.00 0.00 C ATOM 284 C PRO A 25 -5.461 14.664 -4.952 1.00 0.00 C ATOM 285 O PRO A 25 -4.561 14.533 -4.117 1.00 0.00 O ATOM 286 CB PRO A 25 -7.460 14.646 -3.452 1.00 0.00 C ATOM 287 CG PRO A 25 -8.309 13.551 -2.915 1.00 0.00 C ATOM 288 CD PRO A 25 -7.589 12.270 -3.242 1.00 0.00 C ATOM 0 HA PRO A 25 -7.402 14.250 -5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.696 14.946 -2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.051 15.534 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.448 13.657 -1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.300 13.568 -3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.980 11.928 -2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.287 11.467 -3.477 1.00 0.00 H new ATOM 296 N ALA A 26 -5.313 15.338 -6.087 1.00 0.00 N ATOM 297 CA ALA A 26 -4.041 15.925 -6.486 1.00 0.00 C ATOM 298 C ALA A 26 -3.561 16.953 -5.465 1.00 0.00 C ATOM 299 O ALA A 26 -2.362 17.092 -5.220 1.00 0.00 O ATOM 300 CB ALA A 26 -4.172 16.575 -7.854 1.00 0.00 C ATOM 0 H ALA A 26 -6.069 15.492 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.302 15.125 -6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.216 17.011 -8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.465 15.824 -8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.930 17.357 -7.814 1.00 0.00 H new ATOM 306 N GLY A 27 -4.511 17.664 -4.870 1.00 0.00 N ATOM 307 CA GLY A 27 -4.180 18.708 -3.923 1.00 0.00 C ATOM 308 C GLY A 27 -3.676 18.168 -2.601 1.00 0.00 C ATOM 309 O GLY A 27 -2.829 18.786 -1.954 1.00 0.00 O ATOM 0 H GLY A 27 -5.510 17.534 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.420 19.358 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.062 19.323 -3.746 1.00 0.00 H new ATOM 313 N LYS A 28 -4.186 17.015 -2.193 1.00 0.00 N ATOM 314 CA LYS A 28 -3.803 16.433 -0.914 1.00 0.00 C ATOM 315 C LYS A 28 -2.839 15.270 -1.108 1.00 0.00 C ATOM 316 O LYS A 28 -2.587 14.500 -0.182 1.00 0.00 O ATOM 317 CB LYS A 28 -5.042 15.991 -0.130 1.00 0.00 C ATOM 318 CG LYS A 28 -6.004 17.134 0.137 1.00 0.00 C ATOM 319 CD LYS A 28 -7.122 16.743 1.090 1.00 0.00 C ATOM 320 CE LYS A 28 -6.645 16.706 2.536 1.00 0.00 C ATOM 321 NZ LYS A 28 -7.774 16.622 3.499 1.00 0.00 N ATOM 0 H LYS A 28 -4.862 16.467 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.288 17.199 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.559 15.209 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.730 15.555 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.454 17.978 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.435 17.469 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.944 17.452 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.512 15.764 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.985 15.850 2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.057 17.600 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.411 16.363 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.252 17.544 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.451 15.900 3.178 1.00 0.00 H new ATOM 335 N ALA A 29 -2.284 15.164 -2.312 1.00 0.00 N ATOM 336 CA ALA A 29 -1.327 14.108 -2.626 1.00 0.00 C ATOM 337 C ALA A 29 -0.050 14.271 -1.817 1.00 0.00 C ATOM 338 O ALA A 29 0.632 13.293 -1.510 1.00 0.00 O ATOM 339 CB ALA A 29 -1.005 14.098 -4.111 1.00 0.00 C ATOM 0 H ALA A 29 -2.481 15.797 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.785 13.155 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.290 13.303 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.918 13.925 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.575 15.058 -4.397 1.00 0.00 H new ATOM 345 N GLY A 30 0.266 15.510 -1.472 1.00 0.00 N ATOM 346 CA GLY A 30 1.448 15.779 -0.685 1.00 0.00 C ATOM 347 C GLY A 30 1.352 15.192 0.708 1.00 0.00 C ATOM 348 O GLY A 30 2.359 14.809 1.297 1.00 0.00 O ATOM 0 H GLY A 30 -0.278 16.335 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.321 15.368 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.598 16.856 -0.614 1.00 0.00 H new ATOM 352 N LEU A 31 0.133 15.100 1.224 1.00 0.00 N ATOM 353 CA LEU A 31 -0.098 14.592 2.573 1.00 0.00 C ATOM 354 C LEU A 31 0.149 13.093 2.644 1.00 0.00 C ATOM 355 O LEU A 31 0.719 12.594 3.614 1.00 0.00 O ATOM 356 CB LEU A 31 -1.524 14.904 3.019 1.00 0.00 C ATOM 357 CG LEU A 31 -1.846 16.387 3.173 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.294 16.569 3.577 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.925 17.026 4.196 1.00 0.00 C ATOM 0 H LEU A 31 -0.715 15.372 0.727 1.00 0.00 H new ATOM 0 HA LEU A 31 0.604 15.088 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.216 14.471 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.706 14.408 3.972 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.688 16.879 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.511 17.632 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.942 16.141 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.473 16.065 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.168 18.084 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.054 16.533 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.110 16.920 3.870 1.00 0.00 H new ATOM 371 N VAL A 32 -0.270 12.384 1.604 1.00 0.00 N ATOM 372 CA VAL A 32 -0.130 10.931 1.556 1.00 0.00 C ATOM 373 C VAL A 32 1.332 10.531 1.369 1.00 0.00 C ATOM 374 O VAL A 32 1.758 9.464 1.803 1.00 0.00 O ATOM 375 CB VAL A 32 -0.983 10.295 0.432 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.953 9.280 1.012 1.00 0.00 C ATOM 377 CG2 VAL A 32 -1.740 11.352 -0.362 1.00 0.00 C ATOM 0 H VAL A 32 -0.711 12.791 0.779 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.494 10.554 2.512 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.303 9.787 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.545 8.842 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.396 8.494 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.615 9.774 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.328 10.869 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.404 11.902 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.030 12.043 -0.817 1.00 0.00 H new ATOM 387 N ILE A 33 2.095 11.396 0.715 1.00 0.00 N ATOM 388 CA ILE A 33 3.523 11.176 0.543 1.00 0.00 C ATOM 389 C ILE A 33 4.267 11.604 1.806 1.00 0.00 C ATOM 390 O ILE A 33 5.268 11.001 2.202 1.00 0.00 O ATOM 391 CB ILE A 33 4.059 11.965 -0.669 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.253 11.618 -1.923 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.536 11.675 -0.892 1.00 0.00 C ATOM 394 CD1 ILE A 33 3.564 12.505 -3.109 1.00 0.00 C ATOM 0 H ILE A 33 1.748 12.258 0.294 1.00 0.00 H new ATOM 0 HA ILE A 33 3.688 10.114 0.363 1.00 0.00 H new ATOM 0 HB ILE A 33 3.948 13.030 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.449 10.581 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.190 11.692 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.892 12.242 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.101 11.965 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.674 10.610 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.956 12.200 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.341 13.542 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.619 12.413 -3.365 1.00 0.00 H new ATOM 406 N GLY A 34 3.745 12.645 2.441 1.00 0.00 N ATOM 407 CA GLY A 34 4.319 13.136 3.674 1.00 0.00 C ATOM 408 C GLY A 34 5.150 14.368 3.467 1.00 0.00 C ATOM 409 O GLY A 34 6.061 14.648 4.241 1.00 0.00 O ATOM 0 H GLY A 34 2.926 13.161 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.520 13.355 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.936 12.356 4.121 1.00 0.00 H new ATOM 413 N LYS A 35 4.809 15.107 2.422 1.00 0.00 N ATOM 414 CA LYS A 35 5.480 16.345 2.055 1.00 0.00 C ATOM 415 C LYS A 35 6.861 16.082 1.457 1.00 0.00 C ATOM 416 O LYS A 35 7.139 16.492 0.330 1.00 0.00 O ATOM 417 CB LYS A 35 5.581 17.310 3.245 1.00 0.00 C ATOM 418 CG LYS A 35 4.232 17.780 3.769 1.00 0.00 C ATOM 419 CD LYS A 35 3.412 18.456 2.685 1.00 0.00 C ATOM 420 CE LYS A 35 2.203 19.172 3.263 1.00 0.00 C ATOM 421 NZ LYS A 35 2.590 20.300 4.154 1.00 0.00 N ATOM 0 H LYS A 35 4.045 14.859 1.794 1.00 0.00 H new ATOM 0 HA LYS A 35 4.867 16.820 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.124 16.820 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.168 18.179 2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.679 16.928 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.385 18.474 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.036 19.170 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.083 17.712 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.584 19.550 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.595 18.461 3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.788 20.955 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.851 19.929 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.401 20.805 3.743 1.00 0.00 H new ATOM 435 N GLY A 36 7.716 15.393 2.199 1.00 0.00 N ATOM 436 CA GLY A 36 9.056 15.121 1.722 1.00 0.00 C ATOM 437 C GLY A 36 9.186 13.712 1.194 1.00 0.00 C ATOM 438 O GLY A 36 9.853 13.470 0.184 1.00 0.00 O ATOM 0 H GLY A 36 7.505 15.017 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.313 15.830 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.769 15.273 2.533 1.00 0.00 H new ATOM 442 N GLY A 37 8.544 12.779 1.878 1.00 0.00 N ATOM 443 CA GLY A 37 8.573 11.394 1.458 1.00 0.00 C ATOM 444 C GLY A 37 8.963 10.454 2.582 1.00 0.00 C ATOM 445 O GLY A 37 9.172 9.262 2.362 1.00 0.00 O ATOM 0 H GLY A 37 8.000 12.957 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.591 11.113 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.278 11.282 0.634 1.00 0.00 H new ATOM 449 N GLU A 38 9.069 10.989 3.790 1.00 0.00 N ATOM 450 CA GLU A 38 9.378 10.177 4.952 1.00 0.00 C ATOM 451 C GLU A 38 8.131 9.432 5.416 1.00 0.00 C ATOM 452 O GLU A 38 8.210 8.282 5.846 1.00 0.00 O ATOM 453 CB GLU A 38 9.958 11.031 6.096 1.00 0.00 C ATOM 454 CG GLU A 38 9.058 12.168 6.573 1.00 0.00 C ATOM 455 CD GLU A 38 9.100 13.390 5.673 1.00 0.00 C ATOM 456 OE1 GLU A 38 8.481 13.361 4.594 1.00 0.00 O ATOM 457 OE2 GLU A 38 9.757 14.386 6.044 1.00 0.00 O ATOM 0 H GLU A 38 8.945 11.982 3.988 1.00 0.00 H new ATOM 0 HA GLU A 38 10.138 9.450 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.174 10.379 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.908 11.453 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.031 11.807 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.355 12.458 7.581 1.00 0.00 H new ATOM 464 N THR A 39 6.976 10.084 5.299 1.00 0.00 N ATOM 465 CA THR A 39 5.714 9.485 5.715 1.00 0.00 C ATOM 466 C THR A 39 5.399 8.236 4.894 1.00 0.00 C ATOM 467 O THR A 39 5.125 7.178 5.456 1.00 0.00 O ATOM 468 CB THR A 39 4.547 10.482 5.592 1.00 0.00 C ATOM 469 OG1 THR A 39 4.854 11.683 6.314 1.00 0.00 O ATOM 470 CG2 THR A 39 3.251 9.882 6.126 1.00 0.00 C ATOM 0 H THR A 39 6.890 11.027 4.919 1.00 0.00 H new ATOM 0 HA THR A 39 5.828 9.206 6.762 1.00 0.00 H new ATOM 0 HB THR A 39 4.409 10.713 4.536 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.054 12.247 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.445 10.609 6.026 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.004 8.986 5.557 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.376 9.622 7.177 1.00 0.00 H new ATOM 478 N ILE A 40 5.461 8.357 3.569 1.00 0.00 N ATOM 479 CA ILE A 40 5.163 7.227 2.683 1.00 0.00 C ATOM 480 C ILE A 40 6.053 6.024 3.001 1.00 0.00 C ATOM 481 O ILE A 40 5.610 4.877 2.934 1.00 0.00 O ATOM 482 CB ILE A 40 5.318 7.602 1.188 1.00 0.00 C ATOM 483 CG1 ILE A 40 5.117 6.367 0.299 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.676 8.233 0.924 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.368 6.621 -1.173 1.00 0.00 C ATOM 0 H ILE A 40 5.713 9.219 3.085 1.00 0.00 H new ATOM 0 HA ILE A 40 4.121 6.961 2.863 1.00 0.00 H new ATOM 0 HB ILE A 40 4.550 8.335 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.783 5.574 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.098 6.003 0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.760 8.487 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.780 9.137 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.463 7.528 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.205 5.701 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.684 7.390 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.396 6.955 -1.314 1.00 0.00 H new ATOM 497 N LYS A 41 7.299 6.291 3.365 1.00 0.00 N ATOM 498 CA LYS A 41 8.239 5.232 3.704 1.00 0.00 C ATOM 499 C LYS A 41 7.809 4.554 4.999 1.00 0.00 C ATOM 500 O LYS A 41 7.942 3.342 5.158 1.00 0.00 O ATOM 501 CB LYS A 41 9.654 5.802 3.853 1.00 0.00 C ATOM 502 CG LYS A 41 10.711 5.019 3.089 1.00 0.00 C ATOM 503 CD LYS A 41 10.762 3.563 3.524 1.00 0.00 C ATOM 504 CE LYS A 41 11.242 3.418 4.957 1.00 0.00 C ATOM 505 NZ LYS A 41 11.310 1.993 5.369 1.00 0.00 N ATOM 0 H LYS A 41 7.683 7.233 3.433 1.00 0.00 H new ATOM 0 HA LYS A 41 8.244 4.496 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.658 6.835 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.920 5.819 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.501 5.072 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.687 5.479 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.771 3.120 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.426 3.009 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.227 3.874 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.569 3.958 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.305 1.931 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.488 1.482 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.184 1.567 5.001 1.00 0.00 H new ATOM 519 N GLN A 42 7.286 5.348 5.915 1.00 0.00 N ATOM 520 CA GLN A 42 6.829 4.844 7.197 1.00 0.00 C ATOM 521 C GLN A 42 5.543 4.049 7.039 1.00 0.00 C ATOM 522 O GLN A 42 5.390 2.984 7.638 1.00 0.00 O ATOM 523 CB GLN A 42 6.603 5.999 8.165 1.00 0.00 C ATOM 524 CG GLN A 42 7.875 6.746 8.517 1.00 0.00 C ATOM 525 CD GLN A 42 7.621 7.917 9.438 1.00 0.00 C ATOM 526 OE1 GLN A 42 6.695 7.893 10.252 1.00 0.00 O ATOM 527 NE2 GLN A 42 8.441 8.946 9.317 1.00 0.00 N ATOM 0 H GLN A 42 7.166 6.354 5.793 1.00 0.00 H new ATOM 0 HA GLN A 42 7.599 4.184 7.596 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.890 6.697 7.726 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.151 5.614 9.079 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.576 6.060 8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.348 7.103 7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.193 8.920 8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.322 9.766 9.912 1.00 0.00 H new ATOM 536 N LEU A 43 4.635 4.577 6.224 1.00 0.00 N ATOM 537 CA LEU A 43 3.317 3.981 6.008 1.00 0.00 C ATOM 538 C LEU A 43 3.419 2.512 5.619 1.00 0.00 C ATOM 539 O LEU A 43 2.658 1.673 6.111 1.00 0.00 O ATOM 540 CB LEU A 43 2.573 4.752 4.915 1.00 0.00 C ATOM 541 CG LEU A 43 2.316 6.228 5.219 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.585 6.890 4.067 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.528 6.377 6.511 1.00 0.00 C ATOM 0 H LEU A 43 4.791 5.433 5.692 1.00 0.00 H new ATOM 0 HA LEU A 43 2.766 4.042 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.145 4.682 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.616 4.263 4.735 1.00 0.00 H new ATOM 0 HG LEU A 43 3.277 6.726 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.411 7.940 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.188 6.816 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.629 6.391 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.354 7.434 6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.571 5.864 6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.093 5.940 7.334 1.00 0.00 H new ATOM 555 N GLN A 44 4.368 2.216 4.739 1.00 0.00 N ATOM 556 CA GLN A 44 4.610 0.853 4.281 1.00 0.00 C ATOM 557 C GLN A 44 4.830 -0.076 5.470 1.00 0.00 C ATOM 558 O GLN A 44 4.213 -1.141 5.571 1.00 0.00 O ATOM 559 CB GLN A 44 5.835 0.832 3.362 1.00 0.00 C ATOM 560 CG GLN A 44 5.732 1.809 2.205 1.00 0.00 C ATOM 561 CD GLN A 44 7.022 1.939 1.420 1.00 0.00 C ATOM 562 OE1 GLN A 44 7.794 0.989 1.293 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.268 3.129 0.901 1.00 0.00 N ATOM 0 H GLN A 44 4.989 2.911 4.324 1.00 0.00 H new ATOM 0 HA GLN A 44 3.738 0.504 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.724 1.065 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.968 -0.175 2.968 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.936 1.486 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.447 2.789 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.601 3.890 1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.125 3.287 0.371 1.00 0.00 H new ATOM 572 N GLU A 45 5.683 0.360 6.385 1.00 0.00 N ATOM 573 CA GLU A 45 6.015 -0.423 7.568 1.00 0.00 C ATOM 574 C GLU A 45 4.802 -0.554 8.488 1.00 0.00 C ATOM 575 O GLU A 45 4.554 -1.615 9.061 1.00 0.00 O ATOM 576 CB GLU A 45 7.141 0.249 8.358 1.00 0.00 C ATOM 577 CG GLU A 45 8.192 0.959 7.511 1.00 0.00 C ATOM 578 CD GLU A 45 8.952 0.042 6.578 1.00 0.00 C ATOM 579 OE1 GLU A 45 9.418 -1.024 7.023 1.00 0.00 O ATOM 580 OE2 GLU A 45 9.117 0.404 5.396 1.00 0.00 O ATOM 0 H GLU A 45 6.162 1.259 6.330 1.00 0.00 H new ATOM 0 HA GLU A 45 6.332 -1.409 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.701 0.972 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.637 -0.507 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.705 1.737 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.901 1.457 8.172 1.00 0.00 H new ATOM 587 N ARG A 46 4.042 0.535 8.601 1.00 0.00 N ATOM 588 CA ARG A 46 2.953 0.639 9.577 1.00 0.00 C ATOM 589 C ARG A 46 1.935 -0.475 9.407 1.00 0.00 C ATOM 590 O ARG A 46 1.510 -1.094 10.380 1.00 0.00 O ATOM 591 CB ARG A 46 2.221 1.978 9.432 1.00 0.00 C ATOM 592 CG ARG A 46 3.113 3.199 9.507 1.00 0.00 C ATOM 593 CD ARG A 46 3.548 3.495 10.928 1.00 0.00 C ATOM 594 NE ARG A 46 2.522 4.223 11.665 1.00 0.00 N ATOM 595 CZ ARG A 46 2.738 5.390 12.271 1.00 0.00 C ATOM 596 NH1 ARG A 46 3.952 5.927 12.271 1.00 0.00 N ATOM 597 NH2 ARG A 46 1.736 6.016 12.873 1.00 0.00 N ATOM 0 H ARG A 46 4.161 1.367 8.023 1.00 0.00 H new ATOM 0 HA ARG A 46 3.411 0.561 10.563 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.695 1.987 8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.464 2.049 10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.993 3.044 8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.583 4.061 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.772 2.560 11.442 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.468 4.079 10.913 1.00 0.00 H new ATOM 0 HE ARG A 46 1.588 3.817 11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.722 5.446 11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.114 6.820 12.736 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.803 5.604 12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.898 6.909 13.338 1.00 0.00 H new ATOM 611 N ALA A 47 1.551 -0.727 8.173 1.00 0.00 N ATOM 612 CA ALA A 47 0.520 -1.707 7.898 1.00 0.00 C ATOM 613 C ALA A 47 1.124 -3.058 7.567 1.00 0.00 C ATOM 614 O ALA A 47 0.474 -4.092 7.703 1.00 0.00 O ATOM 615 CB ALA A 47 -0.371 -1.226 6.767 1.00 0.00 C ATOM 0 H ALA A 47 1.935 -0.269 7.347 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.087 -1.826 8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.142 -1.971 6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.841 -0.284 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.229 -1.078 5.869 1.00 0.00 H new ATOM 621 N GLY A 48 2.386 -3.046 7.173 1.00 0.00 N ATOM 622 CA GLY A 48 3.015 -4.261 6.711 1.00 0.00 C ATOM 623 C GLY A 48 2.686 -4.541 5.259 1.00 0.00 C ATOM 624 O GLY A 48 2.297 -5.654 4.910 1.00 0.00 O ATOM 0 H GLY A 48 2.984 -2.220 7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.095 -4.181 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.687 -5.098 7.327 1.00 0.00 H new ATOM 628 N VAL A 49 2.820 -3.520 4.420 1.00 0.00 N ATOM 629 CA VAL A 49 2.495 -3.627 3.001 1.00 0.00 C ATOM 630 C VAL A 49 3.433 -2.776 2.173 1.00 0.00 C ATOM 631 O VAL A 49 4.205 -1.983 2.703 1.00 0.00 O ATOM 632 CB VAL A 49 1.051 -3.172 2.692 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.047 -4.249 3.055 1.00 0.00 C ATOM 634 CG2 VAL A 49 0.729 -1.868 3.414 1.00 0.00 C ATOM 0 H VAL A 49 3.155 -2.599 4.702 1.00 0.00 H new ATOM 0 HA VAL A 49 2.599 -4.682 2.746 1.00 0.00 H new ATOM 0 HB VAL A 49 0.979 -2.996 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.960 -3.900 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.257 -5.151 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.121 -4.471 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.292 -1.566 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.829 -2.013 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.420 -1.091 3.087 1.00 0.00 H new ATOM 644 N LYS A 50 3.346 -2.938 0.868 1.00 0.00 N ATOM 645 CA LYS A 50 4.126 -2.137 -0.049 1.00 0.00 C ATOM 646 C LYS A 50 3.235 -1.035 -0.607 1.00 0.00 C ATOM 647 O LYS A 50 2.197 -1.311 -1.211 1.00 0.00 O ATOM 648 CB LYS A 50 4.664 -3.040 -1.170 1.00 0.00 C ATOM 649 CG LYS A 50 5.791 -2.447 -2.010 1.00 0.00 C ATOM 650 CD LYS A 50 5.292 -1.422 -3.016 1.00 0.00 C ATOM 651 CE LYS A 50 6.356 -1.103 -4.056 1.00 0.00 C ATOM 652 NZ LYS A 50 7.568 -0.484 -3.457 1.00 0.00 N ATOM 0 H LYS A 50 2.738 -3.622 0.418 1.00 0.00 H new ATOM 0 HA LYS A 50 4.975 -1.678 0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.017 -3.970 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.838 -3.298 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.522 -1.978 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.306 -3.249 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.398 -1.801 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.004 -0.509 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.638 -2.019 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.939 -0.428 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.262 -0.286 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.306 0.404 -2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.984 -1.137 -2.763 1.00 0.00 H new ATOM 666 N MET A 51 3.631 0.210 -0.405 1.00 0.00 N ATOM 667 CA MET A 51 2.860 1.333 -0.909 1.00 0.00 C ATOM 668 C MET A 51 3.657 2.078 -1.951 1.00 0.00 C ATOM 669 O MET A 51 4.793 2.479 -1.700 1.00 0.00 O ATOM 670 CB MET A 51 2.481 2.322 0.200 1.00 0.00 C ATOM 671 CG MET A 51 1.664 1.736 1.337 1.00 0.00 C ATOM 672 SD MET A 51 1.075 3.015 2.462 1.00 0.00 S ATOM 673 CE MET A 51 0.369 2.025 3.771 1.00 0.00 C ATOM 0 H MET A 51 4.478 0.468 0.102 1.00 0.00 H new ATOM 0 HA MET A 51 1.946 0.921 -1.336 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.395 2.748 0.613 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.919 3.143 -0.244 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.813 1.189 0.930 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.270 1.017 1.888 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.651 2.356 3.968 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.359 0.977 3.470 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.968 2.137 4.675 1.00 0.00 H new ATOM 683 N ILE A 52 3.077 2.256 -3.117 1.00 0.00 N ATOM 684 CA ILE A 52 3.701 3.080 -4.122 1.00 0.00 C ATOM 685 C ILE A 52 2.812 4.270 -4.455 1.00 0.00 C ATOM 686 O ILE A 52 1.781 4.141 -5.121 1.00 0.00 O ATOM 687 CB ILE A 52 4.053 2.279 -5.405 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.622 3.215 -6.480 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.842 1.517 -5.927 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.059 2.502 -7.743 1.00 0.00 C ATOM 0 H ILE A 52 2.184 1.845 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 52 4.641 3.444 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 52 4.817 1.545 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.868 3.959 -6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.474 3.754 -6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.119 0.966 -6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.495 0.819 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.044 2.221 -6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.449 3.229 -8.455 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.836 1.777 -7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.206 1.986 -8.183 1.00 0.00 H new ATOM 702 N LEU A 53 3.194 5.427 -3.942 1.00 0.00 N ATOM 703 CA LEU A 53 2.565 6.666 -4.343 1.00 0.00 C ATOM 704 C LEU A 53 3.141 7.069 -5.681 1.00 0.00 C ATOM 705 O LEU A 53 4.258 7.581 -5.753 1.00 0.00 O ATOM 706 CB LEU A 53 2.809 7.778 -3.312 1.00 0.00 C ATOM 707 CG LEU A 53 1.791 7.884 -2.168 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.398 8.151 -2.716 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.796 6.628 -1.306 1.00 0.00 C ATOM 0 H LEU A 53 3.935 5.531 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 53 1.487 6.518 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.797 7.630 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.832 8.732 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 53 2.083 8.723 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.310 8.223 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.400 9.087 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.104 7.335 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.065 6.734 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.539 5.764 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.787 6.486 -0.876 1.00 0.00 H new ATOM 721 N ILE A 54 2.392 6.824 -6.738 1.00 0.00 N ATOM 722 CA ILE A 54 2.885 7.081 -8.074 1.00 0.00 C ATOM 723 C ILE A 54 2.850 8.578 -8.350 1.00 0.00 C ATOM 724 O ILE A 54 1.827 9.135 -8.739 1.00 0.00 O ATOM 725 CB ILE A 54 2.072 6.308 -9.135 1.00 0.00 C ATOM 726 CG1 ILE A 54 1.854 4.858 -8.683 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.798 6.334 -10.471 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.044 4.024 -9.654 1.00 0.00 C ATOM 0 H ILE A 54 1.444 6.449 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 54 3.914 6.728 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 54 1.101 6.789 -9.251 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.825 4.385 -8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.351 4.862 -7.716 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.216 5.786 -11.212 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.922 7.366 -10.798 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.777 5.868 -10.362 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.935 3.013 -9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.059 4.471 -9.784 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.555 3.987 -10.616 1.00 0.00 H new ATOM 740 N GLN A 55 3.962 9.231 -8.067 1.00 0.00 N ATOM 741 CA GLN A 55 4.096 10.664 -8.285 1.00 0.00 C ATOM 742 C GLN A 55 5.325 10.945 -9.132 1.00 0.00 C ATOM 743 O GLN A 55 5.349 11.877 -9.933 1.00 0.00 O ATOM 744 CB GLN A 55 4.153 11.412 -6.940 1.00 0.00 C ATOM 745 CG GLN A 55 5.147 10.840 -5.932 1.00 0.00 C ATOM 746 CD GLN A 55 6.476 11.579 -5.898 1.00 0.00 C ATOM 747 OE1 GLN A 55 6.915 12.153 -6.893 1.00 0.00 O ATOM 748 NE2 GLN A 55 7.130 11.567 -4.745 1.00 0.00 N ATOM 0 H GLN A 55 4.796 8.788 -7.681 1.00 0.00 H new ATOM 0 HA GLN A 55 3.222 11.028 -8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.409 12.454 -7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.159 11.404 -6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.700 10.868 -4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.330 9.792 -6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.735 11.081 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.028 12.044 -4.663 1.00 0.00 H new ATOM 862 N ASP A 64 -5.778 13.415 -10.973 1.00 0.00 N ATOM 863 CA ASP A 64 -6.037 12.232 -10.156 1.00 0.00 C ATOM 864 C ASP A 64 -4.772 11.406 -9.980 1.00 0.00 C ATOM 865 O ASP A 64 -4.030 11.163 -10.936 1.00 0.00 O ATOM 866 CB ASP A 64 -7.123 11.373 -10.804 1.00 0.00 C ATOM 867 CG ASP A 64 -8.432 12.117 -10.961 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.516 13.002 -11.842 1.00 0.00 O ATOM 869 OD2 ASP A 64 -9.385 11.824 -10.210 1.00 0.00 O ATOM 0 HA ASP A 64 -6.375 12.566 -9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.780 11.036 -11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.286 10.481 -10.199 1.00 0.00 H new ATOM 874 N LYS A 65 -4.540 10.974 -8.756 1.00 0.00 N ATOM 875 CA LYS A 65 -3.300 10.310 -8.392 1.00 0.00 C ATOM 876 C LYS A 65 -3.437 8.801 -8.301 1.00 0.00 C ATOM 877 O LYS A 65 -4.205 8.293 -7.490 1.00 0.00 O ATOM 878 CB LYS A 65 -2.811 10.839 -7.049 1.00 0.00 C ATOM 879 CG LYS A 65 -2.149 12.206 -7.125 1.00 0.00 C ATOM 880 CD LYS A 65 -1.252 12.342 -8.347 1.00 0.00 C ATOM 881 CE LYS A 65 -0.187 11.262 -8.399 1.00 0.00 C ATOM 882 NZ LYS A 65 0.662 11.250 -7.181 1.00 0.00 N ATOM 0 H LYS A 65 -5.202 11.072 -7.987 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.585 10.528 -9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.656 10.894 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.102 10.127 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.917 12.979 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.560 12.373 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.861 12.293 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.774 13.321 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.664 10.289 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.442 11.416 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.416 10.542 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.086 12.190 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.079 11.009 -6.354 1.00 0.00 H new ATOM 896 N PRO A 66 -2.676 8.075 -9.129 1.00 0.00 N ATOM 897 CA PRO A 66 -2.560 6.616 -9.035 1.00 0.00 C ATOM 898 C PRO A 66 -1.842 6.181 -7.752 1.00 0.00 C ATOM 899 O PRO A 66 -0.737 6.648 -7.457 1.00 0.00 O ATOM 900 CB PRO A 66 -1.716 6.241 -10.265 1.00 0.00 C ATOM 901 CG PRO A 66 -1.773 7.431 -11.161 1.00 0.00 C ATOM 902 CD PRO A 66 -1.886 8.612 -10.248 1.00 0.00 C ATOM 0 HA PRO A 66 -3.535 6.130 -9.007 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.689 6.011 -9.982 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.115 5.356 -10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.879 7.498 -11.782 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.627 7.374 -11.836 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.909 8.967 -9.921 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.385 9.452 -10.731 1.00 0.00 H new ATOM 910 N LEU A 67 -2.482 5.310 -6.985 1.00 0.00 N ATOM 911 CA LEU A 67 -1.889 4.777 -5.766 1.00 0.00 C ATOM 912 C LEU A 67 -2.084 3.270 -5.708 1.00 0.00 C ATOM 913 O LEU A 67 -3.201 2.787 -5.858 1.00 0.00 O ATOM 914 CB LEU A 67 -2.517 5.432 -4.530 1.00 0.00 C ATOM 915 CG LEU A 67 -2.179 4.762 -3.193 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.682 4.778 -2.941 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.917 5.439 -2.050 1.00 0.00 C ATOM 0 H LEU A 67 -3.417 4.956 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.822 5.000 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.196 6.473 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.600 5.437 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.505 3.723 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.469 4.297 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.173 4.240 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.328 5.809 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.663 4.948 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.627 6.489 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.992 5.367 -2.218 1.00 0.00 H new ATOM 929 N ARG A 68 -1.005 2.531 -5.497 1.00 0.00 N ATOM 930 CA ARG A 68 -1.095 1.081 -5.395 1.00 0.00 C ATOM 931 C ARG A 68 -0.670 0.601 -4.018 1.00 0.00 C ATOM 932 O ARG A 68 0.501 0.712 -3.640 1.00 0.00 O ATOM 933 CB ARG A 68 -0.244 0.396 -6.467 1.00 0.00 C ATOM 934 CG ARG A 68 -0.741 0.636 -7.875 1.00 0.00 C ATOM 935 CD ARG A 68 0.042 -0.158 -8.904 1.00 0.00 C ATOM 936 NE ARG A 68 -0.472 0.070 -10.253 1.00 0.00 N ATOM 937 CZ ARG A 68 0.228 -0.129 -11.367 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.473 -0.591 -11.306 1.00 0.00 N ATOM 939 NH2 ARG A 68 -0.322 0.132 -12.544 1.00 0.00 N ATOM 0 H ARG A 68 -0.063 2.908 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.139 0.811 -5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.783 0.752 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.225 -0.677 -6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.795 0.367 -7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.669 1.699 -8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.094 0.124 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.013 -1.220 -8.666 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.431 0.404 -10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.897 -0.795 -10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.004 -0.741 -12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.278 0.484 -12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.211 -0.019 -13.401 1.00 0.00 H new ATOM 953 N ILE A 69 -1.633 0.096 -3.262 1.00 0.00 N ATOM 954 CA ILE A 69 -1.340 -0.572 -2.005 1.00 0.00 C ATOM 955 C ILE A 69 -1.241 -2.067 -2.267 1.00 0.00 C ATOM 956 O ILE A 69 -2.254 -2.734 -2.477 1.00 0.00 O ATOM 957 CB ILE A 69 -2.417 -0.320 -0.918 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.604 1.175 -0.643 1.00 0.00 C ATOM 959 CG2 ILE A 69 -2.049 -1.043 0.368 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.521 1.864 -1.628 1.00 0.00 C ATOM 0 H ILE A 69 -2.624 0.137 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.403 -0.165 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.362 -0.712 -1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.004 1.303 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.630 1.664 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.814 -0.857 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.981 -2.114 0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.088 -0.677 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.605 2.920 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.112 1.768 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.507 1.402 -1.591 1.00 0.00 H new ATOM 972 N ILE A 70 -0.024 -2.581 -2.279 1.00 0.00 N ATOM 973 CA ILE A 70 0.210 -3.967 -2.640 1.00 0.00 C ATOM 974 C ILE A 70 0.611 -4.777 -1.418 1.00 0.00 C ATOM 975 O ILE A 70 1.541 -4.410 -0.700 1.00 0.00 O ATOM 976 CB ILE A 70 1.325 -4.081 -3.701 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.143 -3.015 -4.787 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.317 -5.471 -4.320 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.293 -2.938 -5.766 1.00 0.00 C ATOM 0 H ILE A 70 0.819 -2.058 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.720 -4.359 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 70 2.287 -3.917 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.224 -3.222 -5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.018 -2.042 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.107 -5.541 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.485 -6.216 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.352 -5.653 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.091 -2.161 -6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.212 -2.700 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.406 -3.897 -6.271 1.00 0.00 H new ATOM 991 N GLY A 71 -0.093 -5.868 -1.171 1.00 0.00 N ATOM 992 CA GLY A 71 0.273 -6.728 -0.073 1.00 0.00 C ATOM 993 C GLY A 71 -0.811 -7.714 0.292 1.00 0.00 C ATOM 994 O GLY A 71 -1.424 -8.336 -0.579 1.00 0.00 O ATOM 0 H GLY A 71 -0.906 -6.171 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.180 -7.274 -0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.508 -6.116 0.798 1.00 0.00 H new ATOM 998 N ASP A 72 -1.041 -7.849 1.584 1.00 0.00 N ATOM 999 CA ASP A 72 -1.999 -8.809 2.104 1.00 0.00 C ATOM 1000 C ASP A 72 -3.364 -8.171 2.285 1.00 0.00 C ATOM 1001 O ASP A 72 -3.442 -7.053 2.789 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.507 -9.349 3.443 1.00 0.00 C ATOM 1003 CG ASP A 72 -2.522 -10.241 4.121 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.360 -9.722 4.887 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -2.488 -11.464 3.889 1.00 0.00 O ATOM 0 H ASP A 72 -0.571 -7.298 2.302 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.092 -9.625 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.584 -9.908 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.267 -8.514 4.101 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.442 -8.859 1.868 1.00 0.00 N ATOM 1011 CA PRO A 73 -5.808 -8.323 1.895 1.00 0.00 C ATOM 1012 C PRO A 73 -6.119 -7.500 3.148 1.00 0.00 C ATOM 1013 O PRO A 73 -6.704 -6.414 3.062 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.661 -9.586 1.868 1.00 0.00 C ATOM 1015 CG PRO A 73 -5.862 -10.560 1.074 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.413 -10.236 1.335 1.00 0.00 C ATOM 0 HA PRO A 73 -5.985 -7.632 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.852 -9.957 2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.631 -9.400 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.091 -11.583 1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.093 -10.477 0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.972 -10.931 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.820 -10.298 0.422 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.682 -8.002 4.300 1.00 0.00 N ATOM 1025 CA TYR A 74 -5.984 -7.377 5.577 1.00 0.00 C ATOM 1026 C TYR A 74 -5.259 -6.041 5.715 1.00 0.00 C ATOM 1027 O TYR A 74 -5.887 -5.012 5.964 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.609 -8.321 6.724 1.00 0.00 C ATOM 1029 CG TYR A 74 -5.906 -7.772 8.100 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.180 -7.337 8.438 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -4.907 -7.689 9.064 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.450 -6.830 9.693 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.171 -7.183 10.322 1.00 0.00 C ATOM 1034 CZ TYR A 74 -6.443 -6.757 10.631 1.00 0.00 C ATOM 1035 OH TYR A 74 -6.708 -6.249 11.881 1.00 0.00 O ATOM 0 H TYR A 74 -5.114 -8.846 4.371 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.055 -7.180 5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.146 -9.261 6.596 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.545 -8.550 6.658 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.973 -7.396 7.707 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.909 -8.026 8.825 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.446 -6.492 9.939 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.384 -7.122 11.059 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.891 -6.268 12.422 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.945 -6.047 5.525 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.176 -4.818 5.672 1.00 0.00 C ATOM 1047 C LYS A 75 -3.383 -3.878 4.499 1.00 0.00 C ATOM 1048 O LYS A 75 -3.206 -2.677 4.642 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.682 -5.064 5.882 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.174 -6.454 5.543 1.00 0.00 C ATOM 1051 CD LYS A 75 -0.911 -7.257 6.808 1.00 0.00 C ATOM 1052 CE LYS A 75 0.172 -8.304 6.601 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.532 -7.699 6.588 1.00 0.00 N ATOM 0 H LYS A 75 -3.399 -6.871 5.274 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.560 -4.346 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.129 -4.342 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.445 -4.858 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.906 -6.972 4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.258 -6.378 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.615 -6.582 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.832 -7.746 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.113 -9.049 7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.002 -8.826 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.220 -8.400 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.538 -6.872 5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.789 -7.403 7.551 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.761 -4.409 3.344 1.00 0.00 N ATOM 1068 CA VAL A 76 -4.101 -3.555 2.212 1.00 0.00 C ATOM 1069 C VAL A 76 -5.320 -2.699 2.560 1.00 0.00 C ATOM 1070 O VAL A 76 -5.444 -1.553 2.122 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.375 -4.375 0.928 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.896 -3.489 -0.193 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -3.111 -5.083 0.474 1.00 0.00 C ATOM 0 H VAL A 76 -3.840 -5.410 3.166 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.244 -2.912 2.010 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.139 -5.115 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.079 -4.095 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.826 -3.015 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.157 -2.721 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.319 -5.656 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.336 -4.346 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.769 -5.757 1.260 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.195 -3.252 3.385 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.374 -2.542 3.833 1.00 0.00 C ATOM 1085 C GLN A 77 -6.973 -1.531 4.902 1.00 0.00 C ATOM 1086 O GLN A 77 -7.327 -0.353 4.819 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.406 -3.542 4.367 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.850 -3.079 4.236 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.278 -2.117 5.326 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.774 -2.529 6.375 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.107 -0.828 5.085 1.00 0.00 N ATOM 0 H GLN A 77 -6.106 -4.197 3.758 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.828 -2.003 3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.289 -4.486 3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.194 -3.740 5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.983 -2.599 3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.505 -3.950 4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.692 -0.525 4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.390 -0.137 5.780 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.195 -1.997 5.881 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.669 -1.138 6.942 1.00 0.00 C ATOM 1102 C GLN A 78 -4.910 0.038 6.347 1.00 0.00 C ATOM 1103 O GLN A 78 -5.039 1.175 6.789 1.00 0.00 O ATOM 1104 CB GLN A 78 -4.713 -1.917 7.839 1.00 0.00 C ATOM 1105 CG GLN A 78 -5.320 -3.148 8.487 1.00 0.00 C ATOM 1106 CD GLN A 78 -4.304 -3.913 9.308 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -3.594 -4.775 8.794 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -4.236 -3.615 10.594 1.00 0.00 N ATOM 0 H GLN A 78 -5.914 -2.974 5.960 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.516 -0.779 7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.848 -2.221 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.347 -1.253 8.622 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.152 -2.850 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.728 -3.800 7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.842 -2.893 10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.577 -4.107 11.197 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.108 -0.262 5.343 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.292 0.736 4.684 1.00 0.00 C ATOM 1119 C ALA A 79 -4.153 1.771 3.977 1.00 0.00 C ATOM 1120 O ALA A 79 -3.862 2.968 4.009 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.357 0.063 3.701 1.00 0.00 C ATOM 0 H ALA A 79 -4.005 -1.203 4.963 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.704 1.256 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.744 0.817 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.712 -0.637 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.940 -0.476 2.955 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.223 1.307 3.348 1.00 0.00 N ATOM 1128 CA CYS A 80 -6.124 2.189 2.628 1.00 0.00 C ATOM 1129 C CYS A 80 -6.824 3.133 3.591 1.00 0.00 C ATOM 1130 O CYS A 80 -6.874 4.334 3.347 1.00 0.00 O ATOM 1131 CB CYS A 80 -7.148 1.379 1.832 1.00 0.00 C ATOM 1132 SG CYS A 80 -8.249 2.381 0.807 1.00 0.00 S ATOM 0 H CYS A 80 -5.487 0.322 3.323 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.537 2.783 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.618 0.672 1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.750 0.792 2.526 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.076 1.605 0.172 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.338 2.604 4.696 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.015 3.440 5.679 1.00 0.00 C ATOM 1140 C GLU A 81 -7.012 4.329 6.413 1.00 0.00 C ATOM 1141 O GLU A 81 -7.385 5.339 7.005 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.823 2.594 6.671 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.000 1.573 7.439 1.00 0.00 C ATOM 1144 CD GLU A 81 -8.819 0.828 8.471 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -9.547 -0.108 8.088 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -8.738 1.173 9.668 1.00 0.00 O ATOM 0 H GLU A 81 -7.300 1.612 4.931 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.716 4.081 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.312 3.259 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.612 2.073 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.567 0.859 6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.170 2.078 7.934 1.00 0.00 H new ATOM 1153 N MET A 82 -5.741 3.947 6.370 1.00 0.00 N ATOM 1154 CA MET A 82 -4.676 4.759 6.947 1.00 0.00 C ATOM 1155 C MET A 82 -4.428 6.001 6.099 1.00 0.00 C ATOM 1156 O MET A 82 -4.485 7.124 6.595 1.00 0.00 O ATOM 1157 CB MET A 82 -3.377 3.954 7.051 1.00 0.00 C ATOM 1158 CG MET A 82 -2.214 4.753 7.619 1.00 0.00 C ATOM 1159 SD MET A 82 -0.616 3.965 7.332 1.00 0.00 S ATOM 1160 CE MET A 82 -0.845 2.390 8.144 1.00 0.00 C ATOM 0 H MET A 82 -5.422 3.078 5.941 1.00 0.00 H new ATOM 0 HA MET A 82 -4.993 5.061 7.945 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.549 3.080 7.680 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.106 3.586 6.061 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.209 5.747 7.171 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.360 4.887 8.691 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.104 1.680 7.776 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.725 2.515 9.220 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.845 2.013 7.931 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.172 5.792 4.812 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.824 6.889 3.919 1.00 0.00 C ATOM 1172 C VAL A 83 -5.054 7.717 3.575 1.00 0.00 C ATOM 1173 O VAL A 83 -4.963 8.923 3.346 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.145 6.388 2.622 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.845 5.668 2.947 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -4.073 5.482 1.825 1.00 0.00 C ATOM 0 H VAL A 83 -4.199 4.875 4.366 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.108 7.516 4.450 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.919 7.258 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.380 5.322 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.169 6.352 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.053 4.813 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.566 5.147 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.345 4.617 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.974 6.032 1.554 1.00 0.00 H new ATOM 1186 N MET A 84 -6.209 7.063 3.563 1.00 0.00 N ATOM 1187 CA MET A 84 -7.469 7.739 3.300 1.00 0.00 C ATOM 1188 C MET A 84 -7.823 8.638 4.477 1.00 0.00 C ATOM 1189 O MET A 84 -8.416 9.704 4.302 1.00 0.00 O ATOM 1190 CB MET A 84 -8.570 6.703 3.039 1.00 0.00 C ATOM 1191 CG MET A 84 -9.874 7.279 2.518 1.00 0.00 C ATOM 1192 SD MET A 84 -10.919 7.952 3.826 1.00 0.00 S ATOM 1193 CE MET A 84 -12.312 8.546 2.871 1.00 0.00 C ATOM 0 H MET A 84 -6.297 6.061 3.733 1.00 0.00 H new ATOM 0 HA MET A 84 -7.374 8.363 2.411 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.199 5.972 2.320 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.771 6.165 3.966 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.655 8.065 1.795 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.422 6.501 1.987 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.048 8.992 3.540 1.00 0.00 H new ATOM 0 HE2 MET A 84 -11.970 9.295 2.157 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.767 7.713 2.334 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.419 8.222 5.675 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.654 9.023 6.877 1.00 0.00 C ATOM 1205 C ASP A 85 -6.971 10.376 6.754 1.00 0.00 C ATOM 1206 O ASP A 85 -7.506 11.393 7.182 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.152 8.314 8.132 1.00 0.00 C ATOM 1208 CG ASP A 85 -7.371 9.135 9.391 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -8.534 9.465 9.695 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -6.385 9.428 10.096 1.00 0.00 O ATOM 0 H ASP A 85 -6.931 7.342 5.841 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.731 9.163 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.663 7.356 8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.089 8.098 8.023 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.796 10.377 6.139 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.021 11.596 5.939 1.00 0.00 C ATOM 1217 C ILE A 86 -5.714 12.515 4.933 1.00 0.00 C ATOM 1218 O ILE A 86 -5.514 13.728 4.930 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.598 11.270 5.431 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -2.982 10.145 6.269 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.712 12.508 5.484 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.628 9.687 5.771 1.00 0.00 C ATOM 0 H ILE A 86 -5.354 9.537 5.766 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.948 12.101 6.902 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.670 10.941 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.884 10.484 7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.663 9.294 6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.715 12.257 5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.140 13.289 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.646 12.865 6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.255 8.889 6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.722 9.317 4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.931 10.525 5.790 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.551 11.928 4.091 1.00 0.00 N ATOM 1235 CA LEU A 87 -7.222 12.680 3.044 1.00 0.00 C ATOM 1236 C LEU A 87 -8.549 13.245 3.542 1.00 0.00 C ATOM 1237 O LEU A 87 -8.995 14.298 3.090 1.00 0.00 O ATOM 1238 CB LEU A 87 -7.451 11.792 1.824 1.00 0.00 C ATOM 1239 CG LEU A 87 -6.193 11.146 1.249 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -6.540 10.339 0.013 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -5.145 12.203 0.927 1.00 0.00 C ATOM 0 H LEU A 87 -6.781 10.935 4.113 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.582 13.516 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.154 11.004 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.924 12.388 1.044 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.773 10.473 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.636 9.882 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.254 9.559 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.980 10.995 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.256 11.722 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.547 12.903 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.880 12.742 1.837 1.00 0.00 H new ATOM 1253 N ARG A 88 -9.180 12.544 4.476 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.401 13.042 5.109 1.00 0.00 C ATOM 1255 C ARG A 88 -10.027 13.935 6.284 1.00 0.00 C ATOM 1256 O ARG A 88 -10.883 14.529 6.942 1.00 0.00 O ATOM 1257 CB ARG A 88 -11.273 11.879 5.594 1.00 0.00 C ATOM 1258 CG ARG A 88 -10.659 11.130 6.762 1.00 0.00 C ATOM 1259 CD ARG A 88 -11.471 9.908 7.164 1.00 0.00 C ATOM 1260 NE ARG A 88 -10.861 9.223 8.301 1.00 0.00 N ATOM 1261 CZ ARG A 88 -11.342 8.121 8.871 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -12.451 7.547 8.421 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -10.696 7.596 9.900 1.00 0.00 N ATOM 0 H ARG A 88 -8.870 11.632 4.813 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.972 13.614 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.250 12.262 5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.437 11.185 4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.648 10.819 6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.574 11.802 7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.487 10.210 7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.545 9.223 6.320 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.003 9.619 8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.948 7.950 7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.806 6.703 8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.843 8.036 10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.051 6.752 10.348 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.731 14.007 6.523 1.00 0.00 N ATOM 1278 CA GLU A 89 -8.160 14.780 7.612 1.00 0.00 C ATOM 1279 C GLU A 89 -8.030 16.242 7.191 1.00 0.00 C ATOM 1280 O GLU A 89 -8.599 17.121 7.877 1.00 0.00 O ATOM 1281 CB GLU A 89 -6.788 14.195 7.983 1.00 0.00 C ATOM 1282 CG GLU A 89 -6.123 14.838 9.193 1.00 0.00 C ATOM 1283 CD GLU A 89 -6.799 14.482 10.498 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -6.609 13.348 10.984 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -7.513 15.341 11.058 1.00 0.00 O ATOM 1286 OXT GLU A 89 -7.386 16.505 6.154 1.00 0.00 O ATOM 0 H GLU A 89 -8.034 13.523 5.958 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.811 14.730 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.904 13.128 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.123 14.295 7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.079 14.527 9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.129 15.921 9.071 1.00 0.00 H new