USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.051) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.91) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.155 -2.643 5.674 1.00 0.00 N ATOM 110 CA VAL A 8 8.738 -2.437 6.092 1.00 0.00 C ATOM 111 C VAL A 8 8.448 -0.937 6.129 1.00 0.00 C ATOM 112 O VAL A 8 9.168 -0.172 6.739 1.00 0.00 O ATOM 113 CB VAL A 8 8.519 -3.044 7.479 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.184 -2.558 8.047 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.497 -4.570 7.365 1.00 0.00 C ATOM 0 HA VAL A 8 8.067 -2.923 5.384 1.00 0.00 H new ATOM 0 HB VAL A 8 9.328 -2.737 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.030 -2.991 9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.196 -1.471 8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.374 -2.865 7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.341 -5.006 8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.687 -4.874 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.447 -4.918 6.960 1.00 0.00 H new ATOM 125 N TYR A 9 7.408 -0.505 5.471 1.00 0.00 N ATOM 126 CA TYR A 9 7.086 0.950 5.460 1.00 0.00 C ATOM 127 C TYR A 9 5.761 1.200 6.170 1.00 0.00 C ATOM 128 O TYR A 9 4.782 0.526 5.927 1.00 0.00 O ATOM 129 CB TYR A 9 6.941 1.435 4.016 1.00 0.00 C ATOM 130 CG TYR A 9 8.261 1.934 3.488 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.465 1.417 3.981 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.275 2.919 2.497 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.684 1.888 3.477 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.489 3.388 1.992 1.00 0.00 C ATOM 135 CZ TYR A 9 10.695 2.873 2.482 1.00 0.00 C ATOM 136 OH TYR A 9 11.896 3.337 1.982 1.00 0.00 O ATOM 0 H TYR A 9 6.768 -1.096 4.941 1.00 0.00 H new ATOM 0 HA TYR A 9 7.891 1.483 5.966 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.577 0.622 3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.199 2.232 3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.454 0.657 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.345 3.318 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.615 1.492 3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.498 4.147 1.224 1.00 0.00 H new ATOM 0 HH TYR A 9 11.725 4.017 1.298 1.00 0.00 H new ATOM 146 N THR A 10 5.699 2.190 7.010 1.00 0.00 N ATOM 147 CA THR A 10 4.406 2.490 7.671 1.00 0.00 C ATOM 148 C THR A 10 3.513 3.139 6.620 1.00 0.00 C ATOM 149 O THR A 10 3.666 4.297 6.287 1.00 0.00 O ATOM 150 CB THR A 10 4.615 3.441 8.845 1.00 0.00 C ATOM 151 OG1 THR A 10 5.906 3.233 9.402 1.00 0.00 O ATOM 152 CG2 THR A 10 3.547 3.158 9.897 1.00 0.00 C ATOM 0 H THR A 10 6.478 2.797 7.265 1.00 0.00 H new ATOM 0 HA THR A 10 3.952 1.580 8.064 1.00 0.00 H new ATOM 0 HB THR A 10 4.538 4.475 8.508 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.040 3.846 10.155 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.683 3.831 10.744 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.559 3.315 9.464 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.635 2.126 10.236 1.00 0.00 H new ATOM 160 N GLY A 11 2.617 2.385 6.057 1.00 0.00 N ATOM 161 CA GLY A 11 1.751 2.936 4.980 1.00 0.00 C ATOM 162 C GLY A 11 0.571 3.713 5.558 1.00 0.00 C ATOM 163 O GLY A 11 -0.238 3.189 6.298 1.00 0.00 O ATOM 0 H GLY A 11 2.445 1.408 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.339 3.590 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.382 2.122 4.355 1.00 0.00 H new ATOM 167 N LYS A 12 0.453 4.958 5.184 1.00 0.00 N ATOM 168 CA LYS A 12 -0.691 5.779 5.661 1.00 0.00 C ATOM 169 C LYS A 12 -1.769 5.735 4.583 1.00 0.00 C ATOM 170 O LYS A 12 -1.473 5.729 3.405 1.00 0.00 O ATOM 171 CB LYS A 12 -0.253 7.234 5.874 1.00 0.00 C ATOM 172 CG LYS A 12 1.251 7.292 6.151 1.00 0.00 C ATOM 173 CD LYS A 12 1.589 8.606 6.858 1.00 0.00 C ATOM 174 CE LYS A 12 2.491 8.321 8.059 1.00 0.00 C ATOM 175 NZ LYS A 12 2.560 9.530 8.926 1.00 0.00 N ATOM 0 H LYS A 12 1.104 5.442 4.566 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.062 5.388 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.492 7.827 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.802 7.669 6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.551 6.446 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.807 7.216 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.089 9.285 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.675 9.101 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.103 7.475 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.490 8.046 7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.174 9.337 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.949 10.326 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.605 9.773 9.260 1.00 0.00 H new ATOM 189 N VAL A 13 -3.011 5.703 4.956 1.00 0.00 N ATOM 190 CA VAL A 13 -4.073 5.652 3.921 1.00 0.00 C ATOM 191 C VAL A 13 -4.439 7.078 3.516 1.00 0.00 C ATOM 192 O VAL A 13 -5.054 7.811 4.264 1.00 0.00 O ATOM 193 CB VAL A 13 -5.303 4.948 4.487 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.333 4.743 3.374 1.00 0.00 C ATOM 195 CG2 VAL A 13 -4.890 3.590 5.058 1.00 0.00 C ATOM 0 H VAL A 13 -3.336 5.710 5.923 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.715 5.102 3.050 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.742 5.558 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.211 4.240 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.625 5.711 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.898 4.132 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.766 3.084 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.453 2.981 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.157 3.737 5.851 1.00 0.00 H new ATOM 205 N THR A 14 -4.047 7.480 2.341 1.00 0.00 N ATOM 206 CA THR A 14 -4.352 8.865 1.892 1.00 0.00 C ATOM 207 C THR A 14 -5.262 8.823 0.660 1.00 0.00 C ATOM 208 O THR A 14 -5.752 9.840 0.209 1.00 0.00 O ATOM 209 CB THR A 14 -3.043 9.585 1.545 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.757 9.408 0.165 1.00 0.00 O ATOM 211 CG2 THR A 14 -1.900 9.012 2.386 1.00 0.00 C ATOM 0 H THR A 14 -3.529 6.910 1.672 1.00 0.00 H new ATOM 0 HA THR A 14 -4.862 9.402 2.692 1.00 0.00 H new ATOM 0 HB THR A 14 -3.147 10.649 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.922 9.869 -0.058 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.972 9.526 2.137 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.120 9.154 3.444 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.793 7.948 2.177 1.00 0.00 H new ATOM 219 N ARG A 15 -5.493 7.661 0.108 1.00 0.00 N ATOM 220 CA ARG A 15 -6.371 7.575 -1.094 1.00 0.00 C ATOM 221 C ARG A 15 -6.865 6.138 -1.285 1.00 0.00 C ATOM 222 O ARG A 15 -6.178 5.187 -0.973 1.00 0.00 O ATOM 223 CB ARG A 15 -5.575 8.007 -2.331 1.00 0.00 C ATOM 224 CG ARG A 15 -5.788 9.501 -2.577 1.00 0.00 C ATOM 225 CD ARG A 15 -4.483 10.253 -2.307 1.00 0.00 C ATOM 226 NE ARG A 15 -4.411 11.457 -3.180 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.265 12.045 -3.382 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.349 11.460 -4.105 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.031 13.218 -2.859 1.00 0.00 N ATOM 0 H ARG A 15 -5.114 6.773 0.436 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.231 8.231 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.515 7.799 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.896 7.435 -3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.111 9.669 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.579 9.878 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.431 10.548 -1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.630 9.602 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.257 11.821 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.530 10.542 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.453 11.920 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.745 13.675 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.134 13.677 -3.017 1.00 0.00 H new ATOM 243 N ILE A 16 -8.050 5.981 -1.815 1.00 0.00 N ATOM 244 CA ILE A 16 -8.604 4.615 -2.059 1.00 0.00 C ATOM 245 C ILE A 16 -9.263 4.607 -3.438 1.00 0.00 C ATOM 246 O ILE A 16 -9.627 5.642 -3.959 1.00 0.00 O ATOM 247 CB ILE A 16 -9.641 4.268 -0.988 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.028 4.476 0.400 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.060 2.803 -1.143 1.00 0.00 C ATOM 250 CD1 ILE A 16 -9.956 3.888 1.464 1.00 0.00 C ATOM 0 H ILE A 16 -8.663 6.747 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.804 3.876 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.513 4.912 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.050 3.998 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.874 5.539 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.799 2.553 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.493 2.651 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.187 2.161 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.518 4.037 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.924 4.386 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.088 2.821 1.283 1.00 0.00 H new ATOM 262 N VAL A 17 -9.412 3.463 -4.050 1.00 0.00 N ATOM 263 CA VAL A 17 -10.037 3.443 -5.404 1.00 0.00 C ATOM 264 C VAL A 17 -11.053 2.290 -5.499 1.00 0.00 C ATOM 265 O VAL A 17 -10.936 1.283 -4.831 1.00 0.00 O ATOM 266 CB VAL A 17 -8.936 3.290 -6.480 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.575 3.661 -5.902 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.855 1.853 -6.972 1.00 0.00 C ATOM 0 H VAL A 17 -9.133 2.555 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.566 4.381 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.194 3.953 -7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.810 3.548 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.595 4.695 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.345 3.005 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.074 1.771 -7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.621 1.195 -6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.812 1.563 -7.406 1.00 0.00 H new ATOM 278 N ASP A 18 -12.038 2.418 -6.342 1.00 0.00 N ATOM 279 CA ASP A 18 -13.037 1.321 -6.482 1.00 0.00 C ATOM 280 C ASP A 18 -12.320 0.032 -6.905 1.00 0.00 C ATOM 281 O ASP A 18 -12.613 -1.042 -6.419 1.00 0.00 O ATOM 282 CB ASP A 18 -14.069 1.703 -7.545 1.00 0.00 C ATOM 283 CG ASP A 18 -15.443 1.165 -7.143 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.681 1.029 -5.954 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.235 0.898 -8.031 1.00 0.00 O ATOM 0 H ASP A 18 -12.195 3.231 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.541 1.162 -5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.109 2.787 -7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.777 1.296 -8.513 1.00 0.00 H new ATOM 290 N PHE A 19 -11.386 0.134 -7.814 1.00 0.00 N ATOM 291 CA PHE A 19 -10.653 -1.081 -8.282 1.00 0.00 C ATOM 292 C PHE A 19 -9.393 -1.303 -7.436 1.00 0.00 C ATOM 293 O PHE A 19 -8.426 -1.872 -7.902 1.00 0.00 O ATOM 294 CB PHE A 19 -10.227 -0.884 -9.741 1.00 0.00 C ATOM 295 CG PHE A 19 -9.601 0.481 -9.883 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.289 0.697 -9.440 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.337 1.536 -10.435 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.715 1.970 -9.549 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.763 2.807 -10.542 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.453 3.023 -10.097 1.00 0.00 C ATOM 0 H PHE A 19 -11.098 1.008 -8.254 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.312 -1.944 -8.188 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.517 -1.657 -10.035 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.089 -0.975 -10.402 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.721 -0.117 -9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.347 1.369 -10.778 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.703 2.138 -9.210 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.330 3.622 -10.968 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.012 4.005 -10.177 1.00 0.00 H new ATOM 310 N GLY A 20 -9.376 -0.860 -6.206 1.00 0.00 N ATOM 311 CA GLY A 20 -8.148 -1.064 -5.383 1.00 0.00 C ATOM 312 C GLY A 20 -8.044 0.002 -4.285 1.00 0.00 C ATOM 313 O GLY A 20 -9.022 0.572 -3.853 1.00 0.00 O ATOM 0 H GLY A 20 -10.144 -0.375 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.168 -2.056 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.266 -1.022 -6.022 1.00 0.00 H new ATOM 317 N ALA A 21 -6.853 0.274 -3.832 1.00 0.00 N ATOM 318 CA ALA A 21 -6.672 1.297 -2.769 1.00 0.00 C ATOM 319 C ALA A 21 -5.320 1.974 -2.962 1.00 0.00 C ATOM 320 O ALA A 21 -4.358 1.355 -3.357 1.00 0.00 O ATOM 321 CB ALA A 21 -6.699 0.628 -1.394 1.00 0.00 C ATOM 0 H ALA A 21 -5.994 -0.171 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.476 2.030 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.566 1.383 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.657 0.127 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.894 -0.104 -1.330 1.00 0.00 H new ATOM 327 N PHE A 22 -5.241 3.241 -2.692 1.00 0.00 N ATOM 328 CA PHE A 22 -3.954 3.963 -2.852 1.00 0.00 C ATOM 329 C PHE A 22 -3.367 4.238 -1.467 1.00 0.00 C ATOM 330 O PHE A 22 -4.079 4.299 -0.484 1.00 0.00 O ATOM 331 CB PHE A 22 -4.208 5.278 -3.588 1.00 0.00 C ATOM 332 CG PHE A 22 -4.415 5.006 -5.062 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.477 3.688 -5.543 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.536 6.077 -5.949 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.658 3.447 -6.909 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.715 5.837 -7.318 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.776 4.521 -7.796 1.00 0.00 C ATOM 0 H PHE A 22 -6.019 3.813 -2.364 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.250 3.363 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.085 5.774 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.364 5.953 -3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.385 2.859 -4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.492 7.091 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.706 2.433 -7.278 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.806 6.666 -8.004 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.914 4.336 -8.851 1.00 0.00 H new ATOM 347 N VAL A 23 -2.078 4.390 -1.373 1.00 0.00 N ATOM 348 CA VAL A 23 -1.463 4.643 -0.042 1.00 0.00 C ATOM 349 C VAL A 23 -0.284 5.608 -0.191 1.00 0.00 C ATOM 350 O VAL A 23 0.241 5.805 -1.268 1.00 0.00 O ATOM 351 CB VAL A 23 -0.983 3.314 0.547 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.038 3.577 1.720 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.192 2.516 1.040 1.00 0.00 C ATOM 0 H VAL A 23 -1.425 4.350 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.200 5.091 0.625 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.454 2.749 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.300 2.627 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.823 4.148 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.562 4.143 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.856 1.568 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.717 3.087 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.866 2.324 0.205 1.00 0.00 H new ATOM 363 N ALA A 24 0.134 6.216 0.885 1.00 0.00 N ATOM 364 CA ALA A 24 1.274 7.172 0.804 1.00 0.00 C ATOM 365 C ALA A 24 2.219 6.944 1.990 1.00 0.00 C ATOM 366 O ALA A 24 1.797 6.561 3.062 1.00 0.00 O ATOM 367 CB ALA A 24 0.734 8.604 0.846 1.00 0.00 C ATOM 0 H ALA A 24 -0.264 6.092 1.816 1.00 0.00 H new ATOM 0 HA ALA A 24 1.820 7.014 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.564 9.308 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.062 8.764 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.191 8.761 1.778 1.00 0.00 H new ATOM 373 N ILE A 25 3.494 7.181 1.813 1.00 0.00 N ATOM 374 CA ILE A 25 4.448 6.980 2.943 1.00 0.00 C ATOM 375 C ILE A 25 5.258 8.261 3.146 1.00 0.00 C ATOM 376 O ILE A 25 5.332 9.104 2.274 1.00 0.00 O ATOM 377 CB ILE A 25 5.402 5.822 2.628 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.944 5.980 1.206 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.664 4.485 2.744 1.00 0.00 C ATOM 380 CD1 ILE A 25 7.375 5.443 1.148 1.00 0.00 C ATOM 0 H ILE A 25 3.913 7.503 0.940 1.00 0.00 H new ATOM 0 HA ILE A 25 3.889 6.743 3.848 1.00 0.00 H new ATOM 0 HB ILE A 25 6.227 5.838 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.312 5.440 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.925 7.029 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.351 3.669 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.282 4.367 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.833 4.466 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.765 5.554 0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.002 6.003 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.380 4.389 1.425 1.00 0.00 H new ATOM 413 N LYS A 29 7.400 9.839 -0.963 1.00 0.00 N ATOM 414 CA LYS A 29 7.015 8.681 -1.819 1.00 0.00 C ATOM 415 C LYS A 29 5.633 8.179 -1.399 1.00 0.00 C ATOM 416 O LYS A 29 5.146 8.493 -0.328 1.00 0.00 O ATOM 417 CB LYS A 29 8.043 7.560 -1.651 1.00 0.00 C ATOM 418 CG LYS A 29 9.316 7.914 -2.422 1.00 0.00 C ATOM 419 CD LYS A 29 10.506 7.172 -1.810 1.00 0.00 C ATOM 420 CE LYS A 29 10.967 6.068 -2.764 1.00 0.00 C ATOM 421 NZ LYS A 29 12.158 6.538 -3.527 1.00 0.00 N ATOM 0 HA LYS A 29 6.986 8.990 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.273 7.418 -0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.633 6.619 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.205 7.643 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.488 8.990 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.323 7.868 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.224 6.742 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.214 5.167 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.162 5.806 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.472 5.789 -4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.907 7.387 -4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.926 6.767 -2.865 1.00 0.00 H new ATOM 435 N GLU A 30 4.989 7.405 -2.229 1.00 0.00 N ATOM 436 CA GLU A 30 3.638 6.900 -1.857 1.00 0.00 C ATOM 437 C GLU A 30 3.522 5.409 -2.175 1.00 0.00 C ATOM 438 O GLU A 30 4.179 4.893 -3.058 1.00 0.00 O ATOM 439 CB GLU A 30 2.568 7.668 -2.636 1.00 0.00 C ATOM 440 CG GLU A 30 2.921 9.156 -2.664 1.00 0.00 C ATOM 441 CD GLU A 30 1.950 9.893 -3.590 1.00 0.00 C ATOM 442 OE1 GLU A 30 2.015 9.663 -4.787 1.00 0.00 O ATOM 443 OE2 GLU A 30 1.159 10.672 -3.086 1.00 0.00 O ATOM 0 H GLU A 30 5.336 7.103 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 30 3.492 7.049 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.497 7.282 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.592 7.524 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.868 9.572 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.945 9.291 -3.011 1.00 0.00 H new ATOM 450 N GLY A 31 2.672 4.719 -1.462 1.00 0.00 N ATOM 451 CA GLY A 31 2.484 3.263 -1.711 1.00 0.00 C ATOM 452 C GLY A 31 1.133 3.050 -2.391 1.00 0.00 C ATOM 453 O GLY A 31 0.439 3.994 -2.710 1.00 0.00 O ATOM 0 H GLY A 31 2.097 5.106 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.288 2.881 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.525 2.711 -0.772 1.00 0.00 H new ATOM 457 N LEU A 32 0.744 1.827 -2.618 1.00 0.00 N ATOM 458 CA LEU A 32 -0.572 1.593 -3.274 1.00 0.00 C ATOM 459 C LEU A 32 -1.171 0.265 -2.824 1.00 0.00 C ATOM 460 O LEU A 32 -0.618 -0.790 -3.065 1.00 0.00 O ATOM 461 CB LEU A 32 -0.413 1.553 -4.787 1.00 0.00 C ATOM 462 CG LEU A 32 -1.784 1.816 -5.404 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.774 3.172 -6.085 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.121 0.735 -6.428 1.00 0.00 C ATOM 0 H LEU A 32 1.273 0.988 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.231 2.412 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.305 2.304 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.029 0.584 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.537 1.801 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.751 3.364 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.549 3.946 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.014 3.181 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.102 0.936 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.370 0.735 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.133 -0.239 -5.939 1.00 0.00 H new ATOM 476 N VAL A 33 -2.319 0.301 -2.214 1.00 0.00 N ATOM 477 CA VAL A 33 -2.972 -0.961 -1.800 1.00 0.00 C ATOM 478 C VAL A 33 -3.935 -1.377 -2.911 1.00 0.00 C ATOM 479 O VAL A 33 -5.132 -1.462 -2.715 1.00 0.00 O ATOM 480 CB VAL A 33 -3.753 -0.743 -0.508 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.462 -2.041 -0.107 1.00 0.00 C ATOM 482 CG2 VAL A 33 -2.792 -0.320 0.602 1.00 0.00 C ATOM 0 H VAL A 33 -2.832 1.152 -1.985 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.223 -1.734 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.497 0.039 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.019 -1.881 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.150 -2.339 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.723 -2.827 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.349 -0.164 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.047 -1.101 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.293 0.607 0.318 1.00 0.00 H new ATOM 492 N HIS A 34 -3.431 -1.619 -4.087 1.00 0.00 N ATOM 493 CA HIS A 34 -4.340 -2.016 -5.191 1.00 0.00 C ATOM 494 C HIS A 34 -5.274 -3.116 -4.677 1.00 0.00 C ATOM 495 O HIS A 34 -4.968 -3.810 -3.727 1.00 0.00 O ATOM 496 CB HIS A 34 -3.527 -2.538 -6.374 1.00 0.00 C ATOM 497 CG HIS A 34 -4.377 -2.491 -7.615 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.594 -3.610 -8.403 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.074 -1.469 -8.214 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.391 -3.240 -9.421 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.714 -1.945 -9.353 1.00 0.00 N ATOM 0 H HIS A 34 -2.442 -1.560 -4.328 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.921 -1.155 -5.522 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.630 -1.934 -6.510 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.198 -3.559 -6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.118 -0.451 -7.855 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.729 -3.908 -10.199 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.303 -1.419 -9.998 1.00 0.00 H new ATOM 509 N ILE A 35 -6.412 -3.274 -5.287 1.00 0.00 N ATOM 510 CA ILE A 35 -7.374 -4.318 -4.834 1.00 0.00 C ATOM 511 C ILE A 35 -6.662 -5.666 -4.678 1.00 0.00 C ATOM 512 O ILE A 35 -6.881 -6.385 -3.723 1.00 0.00 O ATOM 513 CB ILE A 35 -8.492 -4.444 -5.870 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.333 -5.687 -5.571 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.877 -4.571 -7.265 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.071 -5.497 -4.244 1.00 0.00 C ATOM 0 H ILE A 35 -6.721 -2.721 -6.087 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.790 -4.031 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.127 -3.559 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.048 -5.857 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.694 -6.568 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.671 -4.661 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.278 -3.686 -7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.243 -5.457 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.670 -6.382 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.347 -5.347 -3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.722 -4.626 -4.311 1.00 0.00 H new ATOM 528 N SER A 36 -5.823 -6.021 -5.613 1.00 0.00 N ATOM 529 CA SER A 36 -5.110 -7.331 -5.523 1.00 0.00 C ATOM 530 C SER A 36 -3.894 -7.231 -4.591 1.00 0.00 C ATOM 531 O SER A 36 -2.885 -7.871 -4.816 1.00 0.00 O ATOM 532 CB SER A 36 -4.641 -7.742 -6.918 1.00 0.00 C ATOM 533 OG SER A 36 -5.321 -8.925 -7.314 1.00 0.00 O ATOM 0 H SER A 36 -5.599 -5.462 -6.436 1.00 0.00 H new ATOM 0 HA SER A 36 -5.797 -8.074 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.837 -6.941 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.564 -7.911 -6.917 1.00 0.00 H new ATOM 0 HG SER A 36 -5.023 -9.190 -8.209 1.00 0.00 H new ATOM 539 N GLN A 37 -3.967 -6.444 -3.550 1.00 0.00 N ATOM 540 CA GLN A 37 -2.797 -6.333 -2.631 1.00 0.00 C ATOM 541 C GLN A 37 -3.271 -6.009 -1.210 1.00 0.00 C ATOM 542 O GLN A 37 -2.882 -5.011 -0.634 1.00 0.00 O ATOM 543 CB GLN A 37 -1.870 -5.221 -3.124 1.00 0.00 C ATOM 544 CG GLN A 37 -1.533 -5.453 -4.598 1.00 0.00 C ATOM 545 CD GLN A 37 -0.494 -4.427 -5.050 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.418 -3.342 -4.507 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.319 -4.725 -6.026 1.00 0.00 N ATOM 0 H GLN A 37 -4.778 -5.879 -3.298 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.262 -7.282 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.350 -4.251 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.957 -5.204 -2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.148 -6.463 -4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.434 -5.367 -5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.256 -5.635 -6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.017 -4.048 -6.333 1.00 0.00 H new ATOM 556 N ILE A 38 -4.098 -6.839 -0.633 1.00 0.00 N ATOM 557 CA ILE A 38 -4.578 -6.561 0.753 1.00 0.00 C ATOM 558 C ILE A 38 -4.215 -7.734 1.666 1.00 0.00 C ATOM 559 O ILE A 38 -3.108 -7.833 2.156 1.00 0.00 O ATOM 560 CB ILE A 38 -6.096 -6.356 0.756 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.437 -5.007 0.116 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.605 -6.366 2.200 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.947 -4.982 -1.331 1.00 0.00 C ATOM 0 H ILE A 38 -4.461 -7.693 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.099 -5.653 1.119 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.568 -7.158 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.514 -4.841 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.973 -4.198 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.685 -6.220 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.365 -7.323 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.127 -5.562 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.192 -4.020 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.867 -5.128 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.432 -5.780 -1.893 1.00 0.00 H new ATOM 575 N ALA A 39 -5.140 -8.620 1.900 1.00 0.00 N ATOM 576 CA ALA A 39 -4.858 -9.786 2.783 1.00 0.00 C ATOM 577 C ALA A 39 -5.143 -11.080 2.021 1.00 0.00 C ATOM 578 O ALA A 39 -5.667 -11.063 0.924 1.00 0.00 O ATOM 579 CB ALA A 39 -5.757 -9.717 4.021 1.00 0.00 C ATOM 0 H ALA A 39 -6.084 -8.587 1.516 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.812 -9.766 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.551 -10.570 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.558 -8.793 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.802 -9.739 3.713 1.00 0.00 H new ATOM 643 N VAL A 43 -10.361 -9.365 -1.029 1.00 0.00 N ATOM 644 CA VAL A 43 -10.823 -8.035 -0.548 1.00 0.00 C ATOM 645 C VAL A 43 -11.570 -7.328 -1.678 1.00 0.00 C ATOM 646 O VAL A 43 -11.238 -6.225 -2.062 1.00 0.00 O ATOM 647 CB VAL A 43 -9.618 -7.192 -0.120 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.069 -5.760 0.173 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.002 -7.790 1.143 1.00 0.00 C ATOM 0 HA VAL A 43 -11.487 -8.165 0.307 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.881 -7.186 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.209 -5.163 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.512 -5.327 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.807 -5.768 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.144 -7.191 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.744 -7.796 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.678 -8.811 0.941 1.00 0.00 H new ATOM 659 N GLU A 44 -12.584 -7.956 -2.217 1.00 0.00 N ATOM 660 CA GLU A 44 -13.351 -7.308 -3.317 1.00 0.00 C ATOM 661 C GLU A 44 -13.624 -5.858 -2.927 1.00 0.00 C ATOM 662 O GLU A 44 -13.772 -4.991 -3.765 1.00 0.00 O ATOM 663 CB GLU A 44 -14.676 -8.044 -3.525 1.00 0.00 C ATOM 664 CG GLU A 44 -15.503 -7.315 -4.585 1.00 0.00 C ATOM 665 CD GLU A 44 -15.103 -7.812 -5.976 1.00 0.00 C ATOM 666 OE1 GLU A 44 -14.777 -8.982 -6.094 1.00 0.00 O ATOM 667 OE2 GLU A 44 -15.131 -7.015 -6.900 1.00 0.00 O ATOM 0 H GLU A 44 -12.910 -8.883 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.779 -7.345 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.489 -9.071 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.229 -8.092 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.566 -7.490 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.342 -6.240 -4.511 1.00 0.00 H new ATOM 674 N LYS A 45 -13.673 -5.590 -1.651 1.00 0.00 N ATOM 675 CA LYS A 45 -13.918 -4.201 -1.185 1.00 0.00 C ATOM 676 C LYS A 45 -12.617 -3.643 -0.604 1.00 0.00 C ATOM 677 O LYS A 45 -12.203 -4.004 0.478 1.00 0.00 O ATOM 678 CB LYS A 45 -15.003 -4.207 -0.110 1.00 0.00 C ATOM 679 CG LYS A 45 -16.227 -3.445 -0.618 1.00 0.00 C ATOM 680 CD LYS A 45 -16.725 -4.090 -1.914 1.00 0.00 C ATOM 681 CE LYS A 45 -17.526 -3.069 -2.724 1.00 0.00 C ATOM 682 NZ LYS A 45 -18.264 -3.769 -3.813 1.00 0.00 N ATOM 0 H LYS A 45 -13.553 -6.279 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.248 -3.580 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.277 -5.232 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.628 -3.746 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.016 -3.458 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.972 -2.400 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.880 -4.451 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.347 -4.955 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.226 -2.543 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.858 -2.319 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.809 -3.076 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.586 -4.252 -4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.913 -4.469 -3.399 1.00 0.00 H new ATOM 696 N VAL A 46 -11.971 -2.769 -1.320 1.00 0.00 N ATOM 697 CA VAL A 46 -10.687 -2.188 -0.814 1.00 0.00 C ATOM 698 C VAL A 46 -10.997 -1.167 0.278 1.00 0.00 C ATOM 699 O VAL A 46 -10.193 -0.909 1.154 1.00 0.00 O ATOM 700 CB VAL A 46 -9.898 -1.509 -1.950 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.531 -2.188 -2.090 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.652 -1.627 -3.280 1.00 0.00 C ATOM 0 H VAL A 46 -12.271 -2.428 -2.233 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.074 -2.994 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.775 -0.454 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.968 -1.711 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.980 -2.093 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.671 -3.244 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.077 -1.141 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.790 -2.679 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.625 -1.145 -3.191 1.00 0.00 H new ATOM 712 N THR A 47 -12.169 -0.597 0.242 1.00 0.00 N ATOM 713 CA THR A 47 -12.548 0.396 1.286 1.00 0.00 C ATOM 714 C THR A 47 -12.930 -0.340 2.577 1.00 0.00 C ATOM 715 O THR A 47 -13.371 0.261 3.536 1.00 0.00 O ATOM 716 CB THR A 47 -13.739 1.223 0.797 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.855 0.368 0.592 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.377 1.918 -0.516 1.00 0.00 C ATOM 0 H THR A 47 -12.881 -0.776 -0.466 1.00 0.00 H new ATOM 0 HA THR A 47 -11.704 1.057 1.481 1.00 0.00 H new ATOM 0 HB THR A 47 -13.990 1.975 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.619 0.897 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.227 2.506 -0.863 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.522 2.575 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.124 1.169 -1.266 1.00 0.00 H new ATOM 726 N ASP A 48 -12.752 -1.636 2.612 1.00 0.00 N ATOM 727 CA ASP A 48 -13.092 -2.405 3.842 1.00 0.00 C ATOM 728 C ASP A 48 -11.800 -2.708 4.594 1.00 0.00 C ATOM 729 O ASP A 48 -11.768 -2.770 5.806 1.00 0.00 O ATOM 730 CB ASP A 48 -13.782 -3.719 3.464 1.00 0.00 C ATOM 731 CG ASP A 48 -15.209 -3.430 2.996 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.559 -2.264 2.913 1.00 0.00 O ATOM 733 OD2 ASP A 48 -15.928 -4.379 2.728 1.00 0.00 O ATOM 0 H ASP A 48 -12.386 -2.193 1.840 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.767 -1.821 4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.224 -4.221 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.798 -4.393 4.321 1.00 0.00 H new ATOM 738 N TYR A 49 -10.729 -2.887 3.871 1.00 0.00 N ATOM 739 CA TYR A 49 -9.428 -3.175 4.525 1.00 0.00 C ATOM 740 C TYR A 49 -8.688 -1.859 4.752 1.00 0.00 C ATOM 741 O TYR A 49 -7.988 -1.689 5.730 1.00 0.00 O ATOM 742 CB TYR A 49 -8.599 -4.089 3.626 1.00 0.00 C ATOM 743 CG TYR A 49 -9.252 -5.444 3.586 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.502 -5.597 2.976 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.614 -6.547 4.163 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.116 -6.851 2.942 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.227 -7.803 4.131 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.480 -7.957 3.521 1.00 0.00 C ATOM 749 OH TYR A 49 -11.086 -9.196 3.491 1.00 0.00 O ATOM 0 H TYR A 49 -10.702 -2.845 2.852 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.592 -3.672 5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.532 -3.672 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.581 -4.171 4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.993 -4.744 2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.649 -6.428 4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.080 -6.968 2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.735 -8.655 4.576 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.510 -9.853 3.936 1.00 0.00 H new ATOM 759 N LEU A 50 -8.835 -0.924 3.851 1.00 0.00 N ATOM 760 CA LEU A 50 -8.133 0.380 4.020 1.00 0.00 C ATOM 761 C LEU A 50 -9.089 1.437 4.574 1.00 0.00 C ATOM 762 O LEU A 50 -10.292 1.342 4.433 1.00 0.00 O ATOM 763 CB LEU A 50 -7.593 0.842 2.675 1.00 0.00 C ATOM 764 CG LEU A 50 -6.074 0.760 2.711 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.606 -0.364 1.797 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.488 2.087 2.242 1.00 0.00 C ATOM 0 H LEU A 50 -9.407 -1.006 3.011 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.312 0.247 4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.987 0.217 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.912 1.864 2.469 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.739 0.557 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.518 -0.424 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.029 -1.309 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.935 -0.165 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.400 2.033 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.819 2.291 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.826 2.887 2.900 1.00 0.00 H new ATOM 778 N GLN A 51 -8.551 2.446 5.202 1.00 0.00 N ATOM 779 CA GLN A 51 -9.402 3.527 5.772 1.00 0.00 C ATOM 780 C GLN A 51 -8.644 4.851 5.682 1.00 0.00 C ATOM 781 O GLN A 51 -7.522 4.960 6.130 1.00 0.00 O ATOM 782 CB GLN A 51 -9.707 3.219 7.240 1.00 0.00 C ATOM 783 CG GLN A 51 -10.633 2.005 7.330 1.00 0.00 C ATOM 784 CD GLN A 51 -10.957 1.721 8.799 1.00 0.00 C ATOM 785 OE1 GLN A 51 -11.746 2.418 9.405 1.00 0.00 O ATOM 786 NE2 GLN A 51 -10.375 0.720 9.401 1.00 0.00 N ATOM 0 H GLN A 51 -7.549 2.568 5.346 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.337 3.592 5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.781 3.023 7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.176 4.082 7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.551 2.192 6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.157 1.136 6.877 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.712 0.134 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.583 0.523 10.380 1.00 0.00 H new ATOM 795 N MET A 52 -9.238 5.854 5.102 1.00 0.00 N ATOM 796 CA MET A 52 -8.540 7.165 4.981 1.00 0.00 C ATOM 797 C MET A 52 -8.213 7.714 6.375 1.00 0.00 C ATOM 798 O MET A 52 -9.047 8.307 7.029 1.00 0.00 O ATOM 799 CB MET A 52 -9.450 8.148 4.243 1.00 0.00 C ATOM 800 CG MET A 52 -10.706 8.411 5.078 1.00 0.00 C ATOM 801 SD MET A 52 -12.098 8.766 3.977 1.00 0.00 S ATOM 802 CE MET A 52 -12.844 7.117 4.014 1.00 0.00 C ATOM 0 H MET A 52 -10.177 5.824 4.706 1.00 0.00 H new ATOM 0 HA MET A 52 -7.611 7.033 4.426 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.920 9.083 4.060 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.726 7.743 3.270 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.931 7.544 5.699 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.538 9.251 5.752 1.00 0.00 H new ATOM 0 HE1 MET A 52 -13.737 7.107 3.389 1.00 0.00 H new ATOM 0 HE2 MET A 52 -12.129 6.386 3.637 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.116 6.864 5.039 1.00 0.00 H new ATOM 812 N GLY A 53 -7.001 7.532 6.833 1.00 0.00 N ATOM 813 CA GLY A 53 -6.632 8.059 8.180 1.00 0.00 C ATOM 814 C GLY A 53 -5.912 6.980 8.996 1.00 0.00 C ATOM 815 O GLY A 53 -5.150 7.276 9.895 1.00 0.00 O ATOM 0 H GLY A 53 -6.256 7.044 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.989 8.932 8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.528 8.386 8.708 1.00 0.00 H new ATOM 819 N GLN A 54 -6.155 5.733 8.702 1.00 0.00 N ATOM 820 CA GLN A 54 -5.494 4.640 9.472 1.00 0.00 C ATOM 821 C GLN A 54 -4.056 4.438 8.985 1.00 0.00 C ATOM 822 O GLN A 54 -3.739 4.660 7.833 1.00 0.00 O ATOM 823 CB GLN A 54 -6.275 3.338 9.279 1.00 0.00 C ATOM 824 CG GLN A 54 -7.586 3.404 10.063 1.00 0.00 C ATOM 825 CD GLN A 54 -7.288 3.402 11.564 1.00 0.00 C ATOM 826 OE1 GLN A 54 -6.430 2.674 12.023 1.00 0.00 O ATOM 827 NE2 GLN A 54 -7.965 4.190 12.353 1.00 0.00 N ATOM 0 H GLN A 54 -6.783 5.422 7.961 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.478 4.914 10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.480 3.179 8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.679 2.491 9.619 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.138 4.304 9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.218 2.554 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.685 4.801 11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.774 4.195 13.355 1.00 0.00 H new ATOM 836 N GLU A 55 -3.189 4.000 9.859 1.00 0.00 N ATOM 837 CA GLU A 55 -1.772 3.756 9.465 1.00 0.00 C ATOM 838 C GLU A 55 -1.469 2.265 9.633 1.00 0.00 C ATOM 839 O GLU A 55 -1.472 1.743 10.730 1.00 0.00 O ATOM 840 CB GLU A 55 -0.840 4.571 10.367 1.00 0.00 C ATOM 841 CG GLU A 55 -1.392 5.989 10.530 1.00 0.00 C ATOM 842 CD GLU A 55 -0.240 6.957 10.813 1.00 0.00 C ATOM 843 OE1 GLU A 55 0.102 7.118 11.973 1.00 0.00 O ATOM 844 OE2 GLU A 55 0.281 7.519 9.864 1.00 0.00 O ATOM 0 H GLU A 55 -3.404 3.800 10.836 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.617 4.056 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.750 4.091 11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.160 4.607 9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.921 6.291 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.114 6.018 11.346 1.00 0.00 H new ATOM 851 N VAL A 56 -1.221 1.570 8.556 1.00 0.00 N ATOM 852 CA VAL A 56 -0.938 0.111 8.667 1.00 0.00 C ATOM 853 C VAL A 56 0.498 -0.182 8.225 1.00 0.00 C ATOM 854 O VAL A 56 1.043 0.510 7.389 1.00 0.00 O ATOM 855 CB VAL A 56 -1.911 -0.663 7.776 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.348 -0.294 8.149 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.659 -0.303 6.309 1.00 0.00 C ATOM 0 H VAL A 56 -1.202 1.947 7.609 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.061 -0.198 9.705 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.760 -1.733 7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.042 -0.845 7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.530 -0.549 9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.498 0.776 8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.353 -0.855 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.809 0.767 6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.635 -0.565 6.041 1.00 0.00 H new ATOM 867 N PRO A 57 1.066 -1.211 8.805 1.00 0.00 N ATOM 868 CA PRO A 57 2.441 -1.639 8.496 1.00 0.00 C ATOM 869 C PRO A 57 2.469 -2.422 7.181 1.00 0.00 C ATOM 870 O PRO A 57 1.738 -3.378 6.997 1.00 0.00 O ATOM 871 CB PRO A 57 2.809 -2.544 9.675 1.00 0.00 C ATOM 872 CG PRO A 57 1.472 -3.037 10.279 1.00 0.00 C ATOM 873 CD PRO A 57 0.390 -2.041 9.824 1.00 0.00 C ATOM 0 HA PRO A 57 3.133 -0.806 8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.419 -3.384 9.344 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.393 -1.998 10.416 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.240 -4.045 9.935 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.529 -3.077 11.367 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.476 -2.556 9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.031 -1.436 10.656 1.00 0.00 H new ATOM 881 N VAL A 58 3.307 -2.027 6.263 1.00 0.00 N ATOM 882 CA VAL A 58 3.376 -2.752 4.965 1.00 0.00 C ATOM 883 C VAL A 58 4.836 -3.052 4.618 1.00 0.00 C ATOM 884 O VAL A 58 5.734 -2.824 5.403 1.00 0.00 O ATOM 885 CB VAL A 58 2.740 -1.893 3.861 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.546 -1.131 4.435 1.00 0.00 C ATOM 887 CG2 VAL A 58 3.763 -0.890 3.314 1.00 0.00 C ATOM 0 H VAL A 58 3.945 -1.236 6.355 1.00 0.00 H new ATOM 0 HA VAL A 58 2.830 -3.692 5.046 1.00 0.00 H new ATOM 0 HB VAL A 58 2.411 -2.545 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.094 -0.521 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.810 -1.840 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.882 -0.488 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.300 -0.288 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.102 -0.240 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.615 -1.429 2.900 1.00 0.00 H new ATOM 897 N LYS A 59 5.074 -3.555 3.440 1.00 0.00 N ATOM 898 CA LYS A 59 6.468 -3.866 3.024 1.00 0.00 C ATOM 899 C LYS A 59 6.697 -3.316 1.615 1.00 0.00 C ATOM 900 O LYS A 59 6.056 -3.732 0.671 1.00 0.00 O ATOM 901 CB LYS A 59 6.671 -5.383 3.022 1.00 0.00 C ATOM 902 CG LYS A 59 6.609 -5.910 4.458 1.00 0.00 C ATOM 903 CD LYS A 59 6.696 -7.438 4.447 1.00 0.00 C ATOM 904 CE LYS A 59 5.335 -8.026 4.071 1.00 0.00 C ATOM 905 NZ LYS A 59 4.904 -8.994 5.118 1.00 0.00 N ATOM 0 H LYS A 59 4.359 -3.765 2.744 1.00 0.00 H new ATOM 0 HA LYS A 59 7.175 -3.410 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.903 -5.862 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.633 -5.631 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.427 -5.493 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.681 -5.592 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.454 -7.764 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.003 -7.802 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.598 -7.229 3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.397 -8.524 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.979 -9.393 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.603 -9.760 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.829 -8.505 6.033 1.00 0.00 H new ATOM 919 N VAL A 60 7.597 -2.383 1.466 1.00 0.00 N ATOM 920 CA VAL A 60 7.854 -1.810 0.115 1.00 0.00 C ATOM 921 C VAL A 60 8.064 -2.950 -0.884 1.00 0.00 C ATOM 922 O VAL A 60 9.163 -3.433 -1.073 1.00 0.00 O ATOM 923 CB VAL A 60 9.103 -0.926 0.163 1.00 0.00 C ATOM 924 CG1 VAL A 60 9.525 -0.562 -1.261 1.00 0.00 C ATOM 925 CG2 VAL A 60 8.788 0.354 0.941 1.00 0.00 C ATOM 0 H VAL A 60 8.164 -1.994 2.219 1.00 0.00 H new ATOM 0 HA VAL A 60 7.001 -1.207 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 60 9.912 -1.465 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.414 0.067 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.745 -1.472 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.716 -0.022 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.676 0.986 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.980 0.892 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.484 0.097 1.956 1.00 0.00 H new ATOM 1112 N LEU A 71 3.302 -1.075 -2.398 1.00 0.00 N ATOM 1113 CA LEU A 71 3.474 -1.437 -0.962 1.00 0.00 C ATOM 1114 C LEU A 71 2.828 -2.797 -0.694 1.00 0.00 C ATOM 1115 O LEU A 71 1.898 -3.197 -1.367 1.00 0.00 O ATOM 1116 CB LEU A 71 2.811 -0.376 -0.081 1.00 0.00 C ATOM 1117 CG LEU A 71 3.820 0.730 0.241 1.00 0.00 C ATOM 1118 CD1 LEU A 71 3.194 1.722 1.222 1.00 0.00 C ATOM 1119 CD2 LEU A 71 5.071 0.113 0.873 1.00 0.00 C ATOM 0 HA LEU A 71 4.538 -1.488 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.945 0.046 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.448 -0.830 0.841 1.00 0.00 H new ATOM 0 HG LEU A 71 4.094 1.249 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.912 2.509 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.303 2.163 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.920 1.202 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.789 0.900 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.796 -0.406 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.519 -0.595 0.176 1.00 0.00 H new ATOM 1131 N SER A 72 3.316 -3.513 0.282 1.00 0.00 N ATOM 1132 CA SER A 72 2.733 -4.849 0.592 1.00 0.00 C ATOM 1133 C SER A 72 2.113 -4.833 1.990 1.00 0.00 C ATOM 1134 O SER A 72 2.780 -5.068 2.979 1.00 0.00 O ATOM 1135 CB SER A 72 3.833 -5.904 0.536 1.00 0.00 C ATOM 1136 OG SER A 72 3.645 -6.716 -0.616 1.00 0.00 O ATOM 0 H SER A 72 4.094 -3.230 0.878 1.00 0.00 H new ATOM 0 HA SER A 72 1.960 -5.084 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.811 -5.425 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.810 -6.518 1.436 1.00 0.00 H new ATOM 0 HG SER A 72 4.351 -7.394 -0.657 1.00 0.00 H new ATOM 1142 N ILE A 73 0.839 -4.562 2.082 1.00 0.00 N ATOM 1143 CA ILE A 73 0.174 -4.536 3.414 1.00 0.00 C ATOM 1144 C ILE A 73 0.545 -5.808 4.190 1.00 0.00 C ATOM 1145 O ILE A 73 0.637 -6.881 3.628 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.354 -4.417 3.206 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.853 -3.149 3.902 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.106 -5.635 3.766 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.289 -2.854 3.466 1.00 0.00 C ATOM 0 H ILE A 73 0.230 -4.357 1.290 1.00 0.00 H new ATOM 0 HA ILE A 73 0.508 -3.678 3.998 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.548 -4.371 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.810 -3.275 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.207 -2.307 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.176 -5.510 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.763 -6.538 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.913 -5.721 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.642 -1.950 3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.319 -2.709 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.931 -3.692 3.738 1.00 0.00 H new ATOM 1161 N LYS A 74 0.766 -5.692 5.474 1.00 0.00 N ATOM 1162 CA LYS A 74 1.135 -6.893 6.280 1.00 0.00 C ATOM 1163 C LYS A 74 0.259 -8.077 5.870 1.00 0.00 C ATOM 1164 O LYS A 74 -0.732 -7.923 5.184 1.00 0.00 O ATOM 1165 CB LYS A 74 0.925 -6.596 7.765 1.00 0.00 C ATOM 1166 CG LYS A 74 2.274 -6.627 8.487 1.00 0.00 C ATOM 1167 CD LYS A 74 2.135 -7.406 9.797 1.00 0.00 C ATOM 1168 CE LYS A 74 3.479 -7.419 10.530 1.00 0.00 C ATOM 1169 NZ LYS A 74 4.209 -8.680 10.210 1.00 0.00 N ATOM 0 H LYS A 74 0.707 -4.819 5.998 1.00 0.00 H new ATOM 0 HA LYS A 74 2.182 -7.138 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.456 -5.620 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.250 -7.331 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.027 -7.094 7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.613 -5.611 8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.371 -6.948 10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.810 -8.426 9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.075 -6.556 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.319 -7.342 11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.122 -8.689 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.641 -9.497 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.374 -8.735 9.185 1.00 0.00 H new