USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 659 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN : amide:sc= 0.242 K(o=0.41,f=-2.5) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -174:sc= 0.17 (180deg=-0.00735) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -83:sc= 0.949 USER MOD Single : A 17 THR OG1 : rot 83:sc= 0.771 USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.092) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= 1.27 (180deg=-2.09) USER MOD Single : A 33 TYR OH : rot 89:sc= 1.29 USER MOD Single : A 36 THR OG1 : rot -39:sc= 0.368 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0519 USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= 1.18 (180deg=0.9) USER MOD Single : A 49 SER OG : rot -31:sc= -0.478 USER MOD Single : A 50 MET CE :methyl 143:sc= 0 (180deg=-0.0607) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0971) USER MOD Single : A 58 MET CE :methyl 172:sc= -2.39! (180deg=-2.71!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 64 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 65 HIS :FLIP no HE2:sc= 0.147 F(o=-0.68,f=0.15) USER MOD Single : A 77 SER OG : rot 180:sc=-0.00346 USER MOD Single : A 78 THR OG1 : rot 76:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -3.130 -8.788 5.354 1.00 0.00 N ATOM 155 CA GLY A 11 -2.383 -7.635 4.908 1.00 0.00 C ATOM 156 C GLY A 11 -1.668 -7.926 3.608 1.00 0.00 C ATOM 157 O GLY A 11 -1.996 -7.362 2.572 1.00 0.00 O ATOM 0 HA2 GLY A 11 -3.057 -6.789 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.658 -7.349 5.670 1.00 0.00 H new ATOM 161 N LEU A 12 -0.744 -8.875 3.682 1.00 0.00 N ATOM 162 CA LEU A 12 0.109 -9.338 2.577 1.00 0.00 C ATOM 163 C LEU A 12 -0.700 -9.666 1.312 1.00 0.00 C ATOM 164 O LEU A 12 -0.290 -9.336 0.187 1.00 0.00 O ATOM 165 CB LEU A 12 0.864 -10.599 3.049 1.00 0.00 C ATOM 166 CG LEU A 12 1.771 -11.298 2.033 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.898 -10.394 1.597 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.313 -12.592 2.604 1.00 0.00 C ATOM 0 H LEU A 12 -0.554 -9.371 4.553 1.00 0.00 H new ATOM 0 HA LEU A 12 0.800 -8.537 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.472 -10.325 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.127 -11.323 3.397 1.00 0.00 H new ATOM 0 HG LEU A 12 1.172 -11.534 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.526 -10.917 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.487 -9.496 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.497 -10.115 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.955 -13.074 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.890 -12.379 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.484 -13.255 2.852 1.00 0.00 H new ATOM 180 N CYS A 13 -1.843 -10.288 1.512 1.00 0.00 N ATOM 181 CA CYS A 13 -2.705 -10.718 0.432 1.00 0.00 C ATOM 182 C CYS A 13 -3.233 -9.519 -0.366 1.00 0.00 C ATOM 183 O CYS A 13 -2.974 -9.401 -1.556 1.00 0.00 O ATOM 184 CB CYS A 13 -3.855 -11.559 0.998 1.00 0.00 C ATOM 185 SG CYS A 13 -5.005 -12.234 -0.223 1.00 0.00 S ATOM 0 H CYS A 13 -2.203 -10.512 2.440 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.127 -11.333 -0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.430 -12.386 1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.418 -10.945 1.701 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.925 -12.924 0.383 1.00 0.00 H new ATOM 191 N ARG A 14 -3.925 -8.613 0.305 1.00 0.00 N ATOM 192 CA ARG A 14 -4.498 -7.450 -0.358 1.00 0.00 C ATOM 193 C ARG A 14 -3.394 -6.525 -0.878 1.00 0.00 C ATOM 194 O ARG A 14 -3.504 -5.952 -1.962 1.00 0.00 O ATOM 195 CB ARG A 14 -5.428 -6.714 0.607 1.00 0.00 C ATOM 196 CG ARG A 14 -6.054 -5.458 0.044 1.00 0.00 C ATOM 197 CD ARG A 14 -7.031 -4.842 1.020 1.00 0.00 C ATOM 198 NE ARG A 14 -8.188 -5.701 1.255 1.00 0.00 N ATOM 199 CZ ARG A 14 -8.955 -5.667 2.350 1.00 0.00 C ATOM 200 NH1 ARG A 14 -8.636 -4.885 3.372 1.00 0.00 N ATOM 201 NH2 ARG A 14 -10.031 -6.434 2.428 1.00 0.00 N ATOM 0 H ARG A 14 -4.104 -8.659 1.308 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.081 -7.780 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.223 -7.394 0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.867 -6.454 1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.273 -4.736 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.568 -5.692 -0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.525 -4.649 1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.367 -3.879 0.636 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.429 -6.377 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.800 -4.303 3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.227 -4.866 4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.275 -7.051 1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.616 -6.408 3.263 1.00 0.00 H new ATOM 215 N LEU A 15 -2.327 -6.440 -0.116 1.00 0.00 N ATOM 216 CA LEU A 15 -1.184 -5.614 -0.422 1.00 0.00 C ATOM 217 C LEU A 15 -0.593 -5.955 -1.799 1.00 0.00 C ATOM 218 O LEU A 15 -0.465 -5.077 -2.656 1.00 0.00 O ATOM 219 CB LEU A 15 -0.148 -5.807 0.683 1.00 0.00 C ATOM 220 CG LEU A 15 1.133 -4.999 0.607 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.833 -3.528 0.598 1.00 0.00 C ATOM 222 CD2 LEU A 15 2.003 -5.332 1.789 1.00 0.00 C ATOM 0 H LEU A 15 -2.229 -6.958 0.757 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.491 -4.569 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.629 -5.581 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.124 -6.862 0.705 1.00 0.00 H new ATOM 0 HG LEU A 15 1.653 -5.251 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.766 -2.967 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.214 -3.288 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.301 -3.260 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.925 -4.753 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.473 -5.090 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.242 -6.395 1.777 1.00 0.00 H new ATOM 234 N SER A 16 -0.315 -7.228 -2.030 1.00 0.00 N ATOM 235 CA SER A 16 0.297 -7.651 -3.281 1.00 0.00 C ATOM 236 C SER A 16 -0.651 -7.469 -4.478 1.00 0.00 C ATOM 237 O SER A 16 -0.222 -7.082 -5.575 1.00 0.00 O ATOM 238 CB SER A 16 0.807 -9.091 -3.154 1.00 0.00 C ATOM 239 OG SER A 16 -0.170 -9.930 -2.552 1.00 0.00 O ATOM 0 H SER A 16 -0.502 -7.984 -1.371 1.00 0.00 H new ATOM 0 HA SER A 16 1.153 -7.006 -3.480 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.064 -9.477 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.720 -9.105 -2.558 1.00 0.00 H new ATOM 0 HG SER A 16 -0.123 -9.839 -1.577 1.00 0.00 H new ATOM 245 N THR A 17 -1.931 -7.698 -4.235 1.00 0.00 N ATOM 246 CA THR A 17 -2.967 -7.552 -5.236 1.00 0.00 C ATOM 247 C THR A 17 -3.067 -6.089 -5.746 1.00 0.00 C ATOM 248 O THR A 17 -3.298 -5.840 -6.928 1.00 0.00 O ATOM 249 CB THR A 17 -4.309 -8.026 -4.633 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.162 -9.390 -4.197 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.446 -7.950 -5.633 1.00 0.00 C ATOM 0 H THR A 17 -2.281 -7.994 -3.324 1.00 0.00 H new ATOM 0 HA THR A 17 -2.718 -8.166 -6.101 1.00 0.00 H new ATOM 0 HB THR A 17 -4.555 -7.367 -3.800 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.759 -9.406 -3.304 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.368 -8.293 -5.163 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.570 -6.919 -5.965 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.219 -8.583 -6.491 1.00 0.00 H new ATOM 259 N TYR A 18 -2.871 -5.136 -4.869 1.00 0.00 N ATOM 260 CA TYR A 18 -2.929 -3.740 -5.267 1.00 0.00 C ATOM 261 C TYR A 18 -1.611 -3.242 -5.816 1.00 0.00 C ATOM 262 O TYR A 18 -1.585 -2.481 -6.784 1.00 0.00 O ATOM 263 CB TYR A 18 -3.421 -2.857 -4.132 1.00 0.00 C ATOM 264 CG TYR A 18 -4.906 -2.950 -3.896 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.478 -4.041 -3.262 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.738 -1.936 -4.314 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.839 -4.110 -3.055 1.00 0.00 C ATOM 268 CE2 TYR A 18 -7.088 -2.002 -4.104 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.636 -3.085 -3.477 1.00 0.00 C ATOM 270 OH TYR A 18 -8.991 -3.131 -3.254 1.00 0.00 O ATOM 0 H TYR A 18 -2.671 -5.293 -3.881 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.654 -3.678 -6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.898 -3.132 -3.216 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.160 -1.821 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.847 -4.850 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.319 -1.076 -4.815 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.272 -4.968 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.724 -1.194 -4.435 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.171 -3.639 -2.435 1.00 0.00 H new ATOM 280 N LEU A 19 -0.518 -3.707 -5.242 1.00 0.00 N ATOM 281 CA LEU A 19 0.810 -3.288 -5.678 1.00 0.00 C ATOM 282 C LEU A 19 1.131 -3.738 -7.098 1.00 0.00 C ATOM 283 O LEU A 19 2.011 -3.174 -7.743 1.00 0.00 O ATOM 284 CB LEU A 19 1.899 -3.758 -4.707 1.00 0.00 C ATOM 285 CG LEU A 19 1.922 -3.086 -3.329 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.007 -3.696 -2.466 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.143 -1.588 -3.473 1.00 0.00 C ATOM 0 H LEU A 19 -0.518 -4.376 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 19 0.797 -2.198 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.786 -4.832 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.869 -3.601 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 19 0.958 -3.250 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.012 -3.210 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.815 -4.761 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.975 -3.556 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.157 -1.126 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.095 -1.407 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.336 -1.156 -4.065 1.00 0.00 H new ATOM 299 N GLU A 20 0.401 -4.726 -7.605 1.00 0.00 N ATOM 300 CA GLU A 20 0.653 -5.214 -8.949 1.00 0.00 C ATOM 301 C GLU A 20 0.150 -4.230 -10.011 1.00 0.00 C ATOM 302 O GLU A 20 0.461 -4.368 -11.199 1.00 0.00 O ATOM 303 CB GLU A 20 0.053 -6.594 -9.179 1.00 0.00 C ATOM 304 CG GLU A 20 -1.447 -6.611 -9.300 1.00 0.00 C ATOM 305 CD GLU A 20 -1.962 -7.972 -9.638 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.595 -8.501 -10.703 1.00 0.00 O ATOM 307 OE2 GLU A 20 -2.741 -8.542 -8.855 1.00 0.00 O ATOM 0 H GLU A 20 -0.358 -5.196 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 20 1.735 -5.300 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.483 -7.016 -10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.346 -7.245 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.891 -6.277 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.757 -5.904 -10.069 1.00 0.00 H new ATOM 314 N GLU A 21 -0.620 -3.241 -9.593 1.00 0.00 N ATOM 315 CA GLU A 21 -1.104 -2.239 -10.514 1.00 0.00 C ATOM 316 C GLU A 21 -0.188 -1.017 -10.540 1.00 0.00 C ATOM 317 O GLU A 21 -0.539 0.039 -11.080 1.00 0.00 O ATOM 318 CB GLU A 21 -2.570 -1.873 -10.260 1.00 0.00 C ATOM 319 CG GLU A 21 -3.537 -2.989 -10.624 1.00 0.00 C ATOM 320 CD GLU A 21 -4.993 -2.574 -10.590 1.00 0.00 C ATOM 321 OE1 GLU A 21 -5.391 -1.601 -11.287 1.00 0.00 O ATOM 322 OE2 GLU A 21 -5.782 -3.214 -9.874 1.00 0.00 O ATOM 0 H GLU A 21 -0.920 -3.114 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.076 -2.677 -11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.697 -1.619 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.820 -0.982 -10.835 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.296 -3.354 -11.623 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.391 -3.822 -9.937 1.00 0.00 H new ATOM 329 N LEU A 22 0.979 -1.165 -9.960 1.00 0.00 N ATOM 330 CA LEU A 22 2.000 -0.159 -10.056 1.00 0.00 C ATOM 331 C LEU A 22 3.036 -0.630 -11.050 1.00 0.00 C ATOM 332 O LEU A 22 3.366 -1.821 -11.101 1.00 0.00 O ATOM 333 CB LEU A 22 2.680 0.123 -8.708 1.00 0.00 C ATOM 334 CG LEU A 22 1.817 0.702 -7.588 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.676 0.969 -6.364 1.00 0.00 C ATOM 336 CD2 LEU A 22 1.134 1.978 -8.039 1.00 0.00 C ATOM 0 H LEU A 22 1.243 -1.983 -9.412 1.00 0.00 H new ATOM 0 HA LEU A 22 1.531 0.771 -10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.114 -0.810 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.506 0.812 -8.886 1.00 0.00 H new ATOM 0 HG LEU A 22 1.045 -0.023 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.057 1.382 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.128 0.036 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.461 1.681 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.525 2.372 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.887 2.715 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.498 1.766 -8.898 1.00 0.00 H new ATOM 348 N GLU A 23 3.512 0.277 -11.851 1.00 0.00 N ATOM 349 CA GLU A 23 4.537 -0.017 -12.830 1.00 0.00 C ATOM 350 C GLU A 23 5.880 -0.036 -12.149 1.00 0.00 C ATOM 351 O GLU A 23 5.978 0.355 -10.992 1.00 0.00 O ATOM 352 CB GLU A 23 4.555 1.063 -13.892 1.00 0.00 C ATOM 353 CG GLU A 23 3.254 1.236 -14.616 1.00 0.00 C ATOM 354 CD GLU A 23 2.856 -0.021 -15.327 1.00 0.00 C ATOM 355 OE1 GLU A 23 3.378 -0.279 -16.432 1.00 0.00 O ATOM 356 OE2 GLU A 23 2.040 -0.795 -14.790 1.00 0.00 O ATOM 0 H GLU A 23 3.204 1.249 -11.850 1.00 0.00 H new ATOM 0 HA GLU A 23 4.328 -0.984 -13.287 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.827 2.010 -13.426 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.334 0.830 -14.618 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.475 1.518 -13.907 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.341 2.051 -15.335 1.00 0.00 H new ATOM 363 N ALA A 24 6.913 -0.432 -12.870 1.00 0.00 N ATOM 364 CA ALA A 24 8.270 -0.443 -12.336 1.00 0.00 C ATOM 365 C ALA A 24 8.666 0.968 -11.906 1.00 0.00 C ATOM 366 O ALA A 24 9.295 1.168 -10.860 1.00 0.00 O ATOM 367 CB ALA A 24 9.245 -0.984 -13.375 1.00 0.00 C ATOM 0 H ALA A 24 6.840 -0.753 -13.835 1.00 0.00 H new ATOM 0 HA ALA A 24 8.306 -1.098 -11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.253 -0.986 -12.961 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.962 -2.001 -13.645 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.218 -0.352 -14.263 1.00 0.00 H new ATOM 373 N VAL A 25 8.262 1.941 -12.703 1.00 0.00 N ATOM 374 CA VAL A 25 8.490 3.341 -12.392 1.00 0.00 C ATOM 375 C VAL A 25 7.666 3.780 -11.155 1.00 0.00 C ATOM 376 O VAL A 25 8.173 4.474 -10.274 1.00 0.00 O ATOM 377 CB VAL A 25 8.187 4.262 -13.629 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.764 4.085 -14.132 1.00 0.00 C ATOM 379 CG2 VAL A 25 8.433 5.720 -13.299 1.00 0.00 C ATOM 0 H VAL A 25 7.768 1.784 -13.581 1.00 0.00 H new ATOM 0 HA VAL A 25 9.546 3.455 -12.149 1.00 0.00 H new ATOM 0 HB VAL A 25 8.870 3.956 -14.421 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.596 4.740 -14.987 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.611 3.049 -14.433 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.063 4.340 -13.337 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.215 6.333 -14.174 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.786 6.021 -12.475 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.475 5.857 -13.011 1.00 0.00 H new ATOM 389 N GLU A 26 6.430 3.302 -11.065 1.00 0.00 N ATOM 390 CA GLU A 26 5.531 3.694 -9.984 1.00 0.00 C ATOM 391 C GLU A 26 5.984 3.075 -8.674 1.00 0.00 C ATOM 392 O GLU A 26 5.926 3.715 -7.623 1.00 0.00 O ATOM 393 CB GLU A 26 4.085 3.296 -10.298 1.00 0.00 C ATOM 394 CG GLU A 26 3.542 3.863 -11.609 1.00 0.00 C ATOM 395 CD GLU A 26 3.597 5.366 -11.696 1.00 0.00 C ATOM 396 OE1 GLU A 26 4.648 5.902 -12.057 1.00 0.00 O ATOM 397 OE2 GLU A 26 2.570 6.032 -11.458 1.00 0.00 O ATOM 0 H GLU A 26 6.026 2.641 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 26 5.565 4.779 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.020 2.208 -10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.445 3.627 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.109 3.440 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.508 3.540 -11.732 1.00 0.00 H new ATOM 404 N LEU A 27 6.450 1.832 -8.751 1.00 0.00 N ATOM 405 CA LEU A 27 7.009 1.130 -7.604 1.00 0.00 C ATOM 406 C LEU A 27 8.196 1.896 -7.071 1.00 0.00 C ATOM 407 O LEU A 27 8.313 2.105 -5.883 1.00 0.00 O ATOM 408 CB LEU A 27 7.432 -0.303 -7.981 1.00 0.00 C ATOM 409 CG LEU A 27 6.304 -1.293 -8.307 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.878 -2.585 -8.863 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.480 -1.593 -7.061 1.00 0.00 C ATOM 0 H LEU A 27 6.450 1.284 -9.611 1.00 0.00 H new ATOM 0 HA LEU A 27 6.241 1.063 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.094 -0.246 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.017 -0.713 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 27 5.658 -0.838 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.066 -3.276 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.438 -2.372 -9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.543 -3.035 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.685 -2.296 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.123 -2.029 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.042 -0.669 -6.684 1.00 0.00 H new ATOM 423 N LYS A 28 9.046 2.350 -7.978 1.00 0.00 N ATOM 424 CA LYS A 28 10.224 3.134 -7.635 1.00 0.00 C ATOM 425 C LYS A 28 9.842 4.374 -6.814 1.00 0.00 C ATOM 426 O LYS A 28 10.474 4.675 -5.793 1.00 0.00 O ATOM 427 CB LYS A 28 10.958 3.525 -8.913 1.00 0.00 C ATOM 428 CG LYS A 28 12.243 4.289 -8.697 1.00 0.00 C ATOM 429 CD LYS A 28 12.880 4.623 -10.021 1.00 0.00 C ATOM 430 CE LYS A 28 14.140 5.428 -9.838 1.00 0.00 C ATOM 431 NZ LYS A 28 14.740 5.785 -11.125 1.00 0.00 N ATOM 0 H LYS A 28 8.938 2.185 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 28 10.887 2.530 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.180 2.620 -9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.291 4.130 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.041 5.205 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.930 3.695 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.109 3.703 -10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.175 5.183 -10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.915 6.335 -9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.856 4.856 -9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.605 6.339 -10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.976 4.919 -11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.065 6.351 -11.677 1.00 0.00 H new ATOM 445 N LYS A 29 8.780 5.042 -7.237 1.00 0.00 N ATOM 446 CA LYS A 29 8.274 6.228 -6.546 1.00 0.00 C ATOM 447 C LYS A 29 7.776 5.836 -5.156 1.00 0.00 C ATOM 448 O LYS A 29 8.153 6.426 -4.148 1.00 0.00 O ATOM 449 CB LYS A 29 7.107 6.832 -7.320 1.00 0.00 C ATOM 450 CG LYS A 29 7.395 7.156 -8.775 1.00 0.00 C ATOM 451 CD LYS A 29 6.226 7.886 -9.411 1.00 0.00 C ATOM 452 CE LYS A 29 6.465 8.153 -10.887 1.00 0.00 C ATOM 453 NZ LYS A 29 7.662 8.991 -11.137 1.00 0.00 N ATOM 0 H LYS A 29 8.243 4.783 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 29 9.082 6.956 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.267 6.139 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.792 7.746 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.293 7.770 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.596 6.236 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.319 7.294 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.061 8.831 -8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.578 7.203 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.589 8.646 -11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.690 9.266 -12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.618 9.845 -10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.519 8.451 -10.903 1.00 0.00 H new ATOM 467 N PHE A 30 6.939 4.821 -5.141 1.00 0.00 N ATOM 468 CA PHE A 30 6.351 4.251 -3.943 1.00 0.00 C ATOM 469 C PHE A 30 7.415 3.869 -2.896 1.00 0.00 C ATOM 470 O PHE A 30 7.296 4.226 -1.720 1.00 0.00 O ATOM 471 CB PHE A 30 5.441 3.067 -4.381 1.00 0.00 C ATOM 472 CG PHE A 30 5.318 1.873 -3.463 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.401 1.830 -2.424 1.00 0.00 C ATOM 474 CD2 PHE A 30 6.110 0.767 -3.685 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.294 0.708 -1.632 1.00 0.00 C ATOM 476 CE2 PHE A 30 6.004 -0.354 -2.900 1.00 0.00 C ATOM 477 CZ PHE A 30 5.095 -0.383 -1.872 1.00 0.00 C ATOM 0 H PHE A 30 6.637 4.351 -5.994 1.00 0.00 H new ATOM 0 HA PHE A 30 5.737 4.991 -3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.439 3.463 -4.546 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.804 2.708 -5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.766 2.683 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.828 0.783 -4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.580 0.686 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.634 -1.210 -3.091 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.009 -1.263 -1.252 1.00 0.00 H new ATOM 487 N LYS A 31 8.474 3.224 -3.337 1.00 0.00 N ATOM 488 CA LYS A 31 9.525 2.776 -2.432 1.00 0.00 C ATOM 489 C LYS A 31 10.327 3.933 -1.889 1.00 0.00 C ATOM 490 O LYS A 31 10.717 3.914 -0.735 1.00 0.00 O ATOM 491 CB LYS A 31 10.479 1.822 -3.107 1.00 0.00 C ATOM 492 CG LYS A 31 9.834 0.636 -3.786 1.00 0.00 C ATOM 493 CD LYS A 31 10.867 -0.252 -4.466 1.00 0.00 C ATOM 494 CE LYS A 31 11.690 0.500 -5.503 1.00 0.00 C ATOM 495 NZ LYS A 31 12.696 -0.365 -6.129 1.00 0.00 N ATOM 0 H LYS A 31 8.635 2.995 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 31 9.014 2.266 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.056 2.375 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.186 1.454 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.280 0.053 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.113 0.987 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.534 -0.671 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.361 -1.090 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.029 0.903 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.184 1.349 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.646 0.013 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.620 -1.325 -5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.536 -0.396 -7.156 1.00 0.00 H new ATOM 509 N LEU A 32 10.592 4.940 -2.701 1.00 0.00 N ATOM 510 CA LEU A 32 11.363 6.060 -2.202 1.00 0.00 C ATOM 511 C LEU A 32 10.520 6.876 -1.267 1.00 0.00 C ATOM 512 O LEU A 32 11.026 7.453 -0.309 1.00 0.00 O ATOM 513 CB LEU A 32 12.000 6.906 -3.342 1.00 0.00 C ATOM 514 CG LEU A 32 11.076 7.710 -4.298 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.582 9.019 -3.676 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.791 7.984 -5.595 1.00 0.00 C ATOM 0 H LEU A 32 10.296 5.006 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 32 12.212 5.671 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.688 7.613 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.599 6.232 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 32 10.195 7.097 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.941 9.540 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.017 8.801 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.436 9.649 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.136 8.548 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.693 8.563 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.062 7.040 -6.068 1.00 0.00 H new ATOM 528 N TYR A 33 9.227 6.883 -1.523 1.00 0.00 N ATOM 529 CA TYR A 33 8.321 7.614 -0.709 1.00 0.00 C ATOM 530 C TYR A 33 8.276 7.051 0.694 1.00 0.00 C ATOM 531 O TYR A 33 8.546 7.761 1.626 1.00 0.00 O ATOM 532 CB TYR A 33 6.908 7.678 -1.310 1.00 0.00 C ATOM 533 CG TYR A 33 5.985 8.525 -0.471 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.241 7.967 0.563 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.910 9.888 -0.672 1.00 0.00 C ATOM 536 CE1 TYR A 33 4.458 8.740 1.374 1.00 0.00 C ATOM 537 CE2 TYR A 33 5.113 10.677 0.128 1.00 0.00 C ATOM 538 CZ TYR A 33 4.394 10.099 1.156 1.00 0.00 C ATOM 539 OH TYR A 33 3.620 10.888 1.980 1.00 0.00 O ATOM 0 H TYR A 33 8.793 6.382 -2.298 1.00 0.00 H new ATOM 0 HA TYR A 33 8.697 8.636 -0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.960 8.086 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.502 6.670 -1.394 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.283 6.901 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.483 10.342 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.895 8.290 2.178 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.051 11.741 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 33 4.156 11.187 2.744 1.00 0.00 H new ATOM 549 N LEU A 34 7.949 5.780 0.828 1.00 0.00 N ATOM 550 CA LEU A 34 7.797 5.172 2.149 1.00 0.00 C ATOM 551 C LEU A 34 9.078 4.582 2.719 1.00 0.00 C ATOM 552 O LEU A 34 9.254 4.539 3.922 1.00 0.00 O ATOM 553 CB LEU A 34 6.645 4.142 2.156 1.00 0.00 C ATOM 554 CG LEU A 34 6.600 3.066 1.048 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.735 2.061 1.135 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.282 2.357 1.090 1.00 0.00 C ATOM 0 H LEU A 34 7.783 5.146 0.047 1.00 0.00 H new ATOM 0 HA LEU A 34 7.540 5.991 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.670 3.626 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.707 4.696 2.116 1.00 0.00 H new ATOM 0 HG LEU A 34 6.723 3.586 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.641 1.335 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.689 2.581 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.691 1.544 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.252 1.598 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.156 1.881 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.477 3.075 0.930 1.00 0.00 H new ATOM 568 N GLY A 35 9.973 4.162 1.863 1.00 0.00 N ATOM 569 CA GLY A 35 11.151 3.464 2.313 1.00 0.00 C ATOM 570 C GLY A 35 12.092 4.330 3.090 1.00 0.00 C ATOM 571 O GLY A 35 12.532 3.963 4.179 1.00 0.00 O ATOM 0 H GLY A 35 9.910 4.290 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.850 2.619 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.674 3.055 1.449 1.00 0.00 H new ATOM 575 N THR A 36 12.370 5.480 2.551 1.00 0.00 N ATOM 576 CA THR A 36 13.284 6.406 3.167 1.00 0.00 C ATOM 577 C THR A 36 12.497 7.640 3.672 1.00 0.00 C ATOM 578 O THR A 36 13.049 8.728 3.860 1.00 0.00 O ATOM 579 CB THR A 36 14.433 6.786 2.150 1.00 0.00 C ATOM 580 OG1 THR A 36 15.435 7.626 2.752 1.00 0.00 O ATOM 581 CG2 THR A 36 13.892 7.461 0.887 1.00 0.00 C ATOM 0 H THR A 36 11.971 5.806 1.671 1.00 0.00 H new ATOM 0 HA THR A 36 13.767 5.949 4.031 1.00 0.00 H new ATOM 0 HB THR A 36 14.896 5.841 1.865 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.003 8.278 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.720 7.702 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.203 6.785 0.380 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.367 8.377 1.160 1.00 0.00 H new ATOM 589 N ALA A 37 11.205 7.423 3.918 1.00 0.00 N ATOM 590 CA ALA A 37 10.290 8.463 4.401 1.00 0.00 C ATOM 591 C ALA A 37 10.674 9.002 5.759 1.00 0.00 C ATOM 592 O ALA A 37 10.740 8.261 6.748 1.00 0.00 O ATOM 593 CB ALA A 37 8.881 7.929 4.505 1.00 0.00 C ATOM 0 H ALA A 37 10.759 6.515 3.788 1.00 0.00 H new ATOM 0 HA ALA A 37 10.353 9.270 3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.219 8.717 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.546 7.594 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.860 7.091 5.202 1.00 0.00 H new ATOM 599 N THR A 38 10.846 10.297 5.819 1.00 0.00 N ATOM 600 CA THR A 38 11.121 10.980 7.058 1.00 0.00 C ATOM 601 C THR A 38 9.867 11.039 7.937 1.00 0.00 C ATOM 602 O THR A 38 9.943 11.248 9.139 1.00 0.00 O ATOM 603 CB THR A 38 11.661 12.383 6.782 1.00 0.00 C ATOM 604 OG1 THR A 38 10.903 12.982 5.706 1.00 0.00 O ATOM 605 CG2 THR A 38 13.137 12.337 6.422 1.00 0.00 C ATOM 0 H THR A 38 10.799 10.911 5.006 1.00 0.00 H new ATOM 0 HA THR A 38 11.883 10.420 7.600 1.00 0.00 H new ATOM 0 HB THR A 38 11.555 12.985 7.684 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.245 13.883 5.527 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.496 13.348 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.700 11.902 7.248 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.275 11.728 5.529 1.00 0.00 H new ATOM 613 N GLU A 39 8.712 10.787 7.318 1.00 0.00 N ATOM 614 CA GLU A 39 7.409 10.764 8.010 1.00 0.00 C ATOM 615 C GLU A 39 7.331 9.599 8.984 1.00 0.00 C ATOM 616 O GLU A 39 6.490 9.578 9.889 1.00 0.00 O ATOM 617 CB GLU A 39 6.285 10.612 7.007 1.00 0.00 C ATOM 618 CG GLU A 39 6.212 11.709 5.987 1.00 0.00 C ATOM 619 CD GLU A 39 5.089 11.484 5.019 1.00 0.00 C ATOM 620 OE1 GLU A 39 3.940 11.887 5.309 1.00 0.00 O ATOM 621 OE2 GLU A 39 5.325 10.891 3.962 1.00 0.00 O ATOM 0 H GLU A 39 8.647 10.592 6.319 1.00 0.00 H new ATOM 0 HA GLU A 39 7.310 11.704 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.402 9.659 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.338 10.569 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.074 12.666 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.156 11.767 5.444 1.00 0.00 H new ATOM 628 N LEU A 40 8.189 8.625 8.773 1.00 0.00 N ATOM 629 CA LEU A 40 8.252 7.442 9.617 1.00 0.00 C ATOM 630 C LEU A 40 9.225 7.676 10.746 1.00 0.00 C ATOM 631 O LEU A 40 9.328 6.885 11.687 1.00 0.00 O ATOM 632 CB LEU A 40 8.757 6.267 8.813 1.00 0.00 C ATOM 633 CG LEU A 40 7.971 5.876 7.571 1.00 0.00 C ATOM 634 CD1 LEU A 40 8.626 4.696 6.908 1.00 0.00 C ATOM 635 CD2 LEU A 40 6.517 5.565 7.889 1.00 0.00 C ATOM 0 H LEU A 40 8.866 8.627 8.010 1.00 0.00 H new ATOM 0 HA LEU A 40 7.254 7.239 10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.781 6.483 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.797 5.400 9.473 1.00 0.00 H new ATOM 0 HG LEU A 40 7.975 6.728 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.061 4.418 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.645 4.958 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.648 3.855 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.995 5.291 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.468 4.737 8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.044 6.444 8.327 1.00 0.00 H new ATOM 647 N GLY A 41 9.940 8.732 10.621 1.00 0.00 N ATOM 648 CA GLY A 41 10.959 9.078 11.546 1.00 0.00 C ATOM 649 C GLY A 41 12.274 9.036 10.852 1.00 0.00 C ATOM 650 O GLY A 41 12.895 10.058 10.615 1.00 0.00 O ATOM 0 H GLY A 41 9.832 9.397 9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.778 10.074 11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.955 8.386 12.388 1.00 0.00 H new ATOM 654 N GLU A 42 12.672 7.858 10.476 1.00 0.00 N ATOM 655 CA GLU A 42 13.903 7.658 9.768 1.00 0.00 C ATOM 656 C GLU A 42 13.692 6.978 8.419 1.00 0.00 C ATOM 657 O GLU A 42 14.106 7.494 7.390 1.00 0.00 O ATOM 658 CB GLU A 42 14.946 6.934 10.646 1.00 0.00 C ATOM 659 CG GLU A 42 14.362 6.106 11.790 1.00 0.00 C ATOM 660 CD GLU A 42 13.537 4.912 11.355 1.00 0.00 C ATOM 661 OE1 GLU A 42 12.352 5.090 10.968 1.00 0.00 O ATOM 662 OE2 GLU A 42 14.044 3.781 11.415 1.00 0.00 O ATOM 0 H GLU A 42 12.148 7.001 10.653 1.00 0.00 H new ATOM 0 HA GLU A 42 14.311 8.643 9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 42 15.542 6.279 10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.625 7.677 11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.180 5.755 12.419 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.740 6.754 12.408 1.00 0.00 H new ATOM 669 N GLY A 43 13.035 5.853 8.426 1.00 0.00 N ATOM 670 CA GLY A 43 12.821 5.111 7.216 1.00 0.00 C ATOM 671 C GLY A 43 13.105 3.661 7.453 1.00 0.00 C ATOM 672 O GLY A 43 14.253 3.280 7.690 1.00 0.00 O ATOM 0 H GLY A 43 12.636 5.427 9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.793 5.239 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.467 5.493 6.425 1.00 0.00 H new ATOM 676 N LYS A 44 12.080 2.849 7.389 1.00 0.00 N ATOM 677 CA LYS A 44 12.185 1.431 7.724 1.00 0.00 C ATOM 678 C LYS A 44 12.869 0.598 6.649 1.00 0.00 C ATOM 679 O LYS A 44 13.429 -0.454 6.949 1.00 0.00 O ATOM 680 CB LYS A 44 10.812 0.831 8.091 1.00 0.00 C ATOM 681 CG LYS A 44 10.359 1.067 9.542 1.00 0.00 C ATOM 682 CD LYS A 44 10.286 2.537 9.923 1.00 0.00 C ATOM 683 CE LYS A 44 9.934 2.705 11.391 1.00 0.00 C ATOM 684 NZ LYS A 44 10.000 4.115 11.805 1.00 0.00 N ATOM 0 H LYS A 44 11.145 3.141 7.105 1.00 0.00 H new ATOM 0 HA LYS A 44 12.830 1.388 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.061 1.248 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.842 -0.243 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.379 0.613 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.048 0.559 10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.243 3.017 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.540 3.039 9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.931 2.319 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.618 2.114 12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.261 4.170 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.714 4.611 11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.072 4.562 11.663 1.00 0.00 H new ATOM 698 N ILE A 45 12.866 1.067 5.428 1.00 0.00 N ATOM 699 CA ILE A 45 13.442 0.289 4.352 1.00 0.00 C ATOM 700 C ILE A 45 14.924 0.615 4.178 1.00 0.00 C ATOM 701 O ILE A 45 15.306 1.787 4.073 1.00 0.00 O ATOM 702 CB ILE A 45 12.673 0.474 3.011 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.205 0.001 3.144 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.374 -0.251 1.861 1.00 0.00 C ATOM 705 CD1 ILE A 45 11.040 -1.471 3.495 1.00 0.00 C ATOM 0 H ILE A 45 12.479 1.969 5.152 1.00 0.00 H new ATOM 0 HA ILE A 45 13.347 -0.760 4.632 1.00 0.00 H new ATOM 0 HB ILE A 45 12.668 1.539 2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.712 0.600 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.688 0.197 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.811 -0.101 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.381 0.148 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.430 -1.317 2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.979 -1.711 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.499 -2.084 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.524 -1.674 4.451 1.00 0.00 H new ATOM 717 N PRO A 46 15.776 -0.411 4.207 1.00 0.00 N ATOM 718 CA PRO A 46 17.212 -0.255 4.016 1.00 0.00 C ATOM 719 C PRO A 46 17.588 0.032 2.555 1.00 0.00 C ATOM 720 O PRO A 46 17.084 -0.632 1.635 1.00 0.00 O ATOM 721 CB PRO A 46 17.776 -1.610 4.450 1.00 0.00 C ATOM 722 CG PRO A 46 16.670 -2.573 4.206 1.00 0.00 C ATOM 723 CD PRO A 46 15.405 -1.825 4.463 1.00 0.00 C ATOM 0 HA PRO A 46 17.603 0.592 4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.664 -1.872 3.875 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.068 -1.600 5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.699 -2.949 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.753 -3.437 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.603 -2.155 3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.055 -1.969 5.485 1.00 0.00 H new ATOM 731 N TRP A 47 18.456 1.051 2.392 1.00 0.00 N ATOM 732 CA TRP A 47 19.079 1.546 1.148 1.00 0.00 C ATOM 733 C TRP A 47 18.328 1.294 -0.171 1.00 0.00 C ATOM 734 O TRP A 47 17.752 2.215 -0.772 1.00 0.00 O ATOM 735 CB TRP A 47 20.582 1.160 1.071 1.00 0.00 C ATOM 736 CG TRP A 47 20.907 -0.317 1.222 1.00 0.00 C ATOM 737 CD1 TRP A 47 21.009 -1.248 0.224 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.198 -1.009 2.440 1.00 0.00 C ATOM 739 NE1 TRP A 47 21.313 -2.474 0.749 1.00 0.00 N ATOM 740 CE2 TRP A 47 21.442 -2.357 2.108 1.00 0.00 C ATOM 741 CE3 TRP A 47 21.267 -0.622 3.781 1.00 0.00 C ATOM 742 CZ2 TRP A 47 21.751 -3.313 3.069 1.00 0.00 C ATOM 743 CZ3 TRP A 47 21.577 -1.572 4.729 1.00 0.00 C ATOM 744 CH2 TRP A 47 21.815 -2.900 4.372 1.00 0.00 C ATOM 0 H TRP A 47 18.766 1.595 3.197 1.00 0.00 H new ATOM 0 HA TRP A 47 18.996 2.629 1.241 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.974 1.500 0.112 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.116 1.709 1.847 1.00 0.00 H new ATOM 0 HD1 TRP A 47 20.869 -1.044 -0.827 1.00 0.00 H new ATOM 0 HE1 TRP A 47 21.425 -3.336 0.215 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.081 0.402 4.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 21.934 -4.342 2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.637 -1.284 5.768 1.00 0.00 H new ATOM 0 HH2 TRP A 47 22.055 -3.618 5.142 1.00 0.00 H new ATOM 755 N GLY A 48 18.358 0.083 -0.607 1.00 0.00 N ATOM 756 CA GLY A 48 17.771 -0.293 -1.849 1.00 0.00 C ATOM 757 C GLY A 48 17.548 -1.771 -1.908 1.00 0.00 C ATOM 758 O GLY A 48 17.631 -2.382 -2.967 1.00 0.00 O ATOM 0 H GLY A 48 18.798 -0.688 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.822 0.228 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.419 0.014 -2.670 1.00 0.00 H new ATOM 762 N SER A 49 17.211 -2.356 -0.773 1.00 0.00 N ATOM 763 CA SER A 49 16.972 -3.798 -0.678 1.00 0.00 C ATOM 764 C SER A 49 15.634 -4.187 -1.361 1.00 0.00 C ATOM 765 O SER A 49 15.211 -5.336 -1.349 1.00 0.00 O ATOM 766 CB SER A 49 16.953 -4.174 0.791 1.00 0.00 C ATOM 767 OG SER A 49 18.093 -3.623 1.439 1.00 0.00 O ATOM 0 H SER A 49 17.094 -1.855 0.108 1.00 0.00 H new ATOM 0 HA SER A 49 17.765 -4.339 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.041 -3.804 1.260 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.949 -5.259 0.899 1.00 0.00 H new ATOM 0 HG SER A 49 18.836 -3.568 0.803 1.00 0.00 H new ATOM 773 N MET A 50 15.005 -3.203 -1.963 1.00 0.00 N ATOM 774 CA MET A 50 13.748 -3.354 -2.644 1.00 0.00 C ATOM 775 C MET A 50 13.867 -3.016 -4.127 1.00 0.00 C ATOM 776 O MET A 50 12.867 -2.885 -4.825 1.00 0.00 O ATOM 777 CB MET A 50 12.672 -2.486 -1.971 1.00 0.00 C ATOM 778 CG MET A 50 13.118 -1.080 -1.531 1.00 0.00 C ATOM 779 SD MET A 50 13.901 -0.085 -2.818 1.00 0.00 S ATOM 780 CE MET A 50 14.205 1.442 -1.924 1.00 0.00 C ATOM 0 H MET A 50 15.368 -2.250 -1.991 1.00 0.00 H new ATOM 0 HA MET A 50 13.451 -4.400 -2.573 1.00 0.00 H new ATOM 0 HB2 MET A 50 11.834 -2.381 -2.661 1.00 0.00 H new ATOM 0 HB3 MET A 50 12.299 -3.018 -1.096 1.00 0.00 H new ATOM 0 HG2 MET A 50 12.248 -0.541 -1.156 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.814 -1.181 -0.698 1.00 0.00 H new ATOM 0 HE1 MET A 50 15.157 1.867 -2.243 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.403 2.151 -2.132 1.00 0.00 H new ATOM 0 HE3 MET A 50 14.240 1.237 -0.854 1.00 0.00 H new ATOM 790 N GLU A 51 15.081 -2.872 -4.609 1.00 0.00 N ATOM 791 CA GLU A 51 15.308 -2.535 -6.014 1.00 0.00 C ATOM 792 C GLU A 51 14.912 -3.652 -6.960 1.00 0.00 C ATOM 793 O GLU A 51 14.318 -3.409 -7.992 1.00 0.00 O ATOM 794 CB GLU A 51 16.740 -2.117 -6.239 1.00 0.00 C ATOM 795 CG GLU A 51 17.050 -0.727 -5.711 1.00 0.00 C ATOM 796 CD GLU A 51 16.302 0.363 -6.455 1.00 0.00 C ATOM 797 OE1 GLU A 51 15.136 0.646 -6.133 1.00 0.00 O ATOM 798 OE2 GLU A 51 16.894 0.966 -7.381 1.00 0.00 O ATOM 0 H GLU A 51 15.932 -2.981 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 51 14.657 -1.692 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.401 -2.837 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.957 -2.149 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.794 -0.680 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.122 -0.544 -5.789 1.00 0.00 H new ATOM 805 N LYS A 52 15.217 -4.861 -6.595 1.00 0.00 N ATOM 806 CA LYS A 52 14.877 -6.015 -7.427 1.00 0.00 C ATOM 807 C LYS A 52 13.572 -6.642 -6.947 1.00 0.00 C ATOM 808 O LYS A 52 13.240 -7.775 -7.294 1.00 0.00 O ATOM 809 CB LYS A 52 16.013 -7.042 -7.389 1.00 0.00 C ATOM 810 CG LYS A 52 17.355 -6.488 -7.853 1.00 0.00 C ATOM 811 CD LYS A 52 17.324 -6.049 -9.315 1.00 0.00 C ATOM 812 CE LYS A 52 18.627 -5.369 -9.729 1.00 0.00 C ATOM 813 NZ LYS A 52 19.811 -6.228 -9.521 1.00 0.00 N ATOM 0 H LYS A 52 15.702 -5.092 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 52 14.743 -5.683 -8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.117 -7.418 -6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.744 -7.892 -8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.632 -5.640 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.125 -7.248 -7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.148 -6.916 -9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.491 -5.364 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.567 -5.089 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.748 -4.447 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.653 -5.759 -9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.946 -6.392 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.668 -7.139 -10.002 1.00 0.00 H new ATOM 827 N ALA A 53 12.826 -5.880 -6.192 1.00 0.00 N ATOM 828 CA ALA A 53 11.601 -6.340 -5.613 1.00 0.00 C ATOM 829 C ALA A 53 10.416 -5.805 -6.395 1.00 0.00 C ATOM 830 O ALA A 53 10.325 -4.601 -6.664 1.00 0.00 O ATOM 831 CB ALA A 53 11.526 -5.901 -4.159 1.00 0.00 C ATOM 0 H ALA A 53 13.058 -4.914 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 53 11.572 -7.429 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.592 -6.253 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.367 -6.322 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.565 -4.813 -4.105 1.00 0.00 H new ATOM 837 N GLY A 54 9.547 -6.689 -6.788 1.00 0.00 N ATOM 838 CA GLY A 54 8.353 -6.310 -7.480 1.00 0.00 C ATOM 839 C GLY A 54 7.167 -6.348 -6.551 1.00 0.00 C ATOM 840 O GLY A 54 7.354 -6.432 -5.344 1.00 0.00 O ATOM 0 H GLY A 54 9.647 -7.693 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.467 -5.307 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.185 -6.982 -8.321 1.00 0.00 H new ATOM 844 N PRO A 55 5.942 -6.342 -7.092 1.00 0.00 N ATOM 845 CA PRO A 55 4.683 -6.294 -6.315 1.00 0.00 C ATOM 846 C PRO A 55 4.602 -7.337 -5.197 1.00 0.00 C ATOM 847 O PRO A 55 4.169 -7.032 -4.083 1.00 0.00 O ATOM 848 CB PRO A 55 3.615 -6.583 -7.367 1.00 0.00 C ATOM 849 CG PRO A 55 4.209 -6.108 -8.642 1.00 0.00 C ATOM 850 CD PRO A 55 5.681 -6.381 -8.537 1.00 0.00 C ATOM 0 HA PRO A 55 4.579 -5.338 -5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.379 -7.646 -7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.686 -6.059 -7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.775 -6.631 -9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.018 -5.045 -8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.940 -7.350 -8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.266 -5.631 -9.070 1.00 0.00 H new ATOM 858 N LEU A 56 5.050 -8.545 -5.486 1.00 0.00 N ATOM 859 CA LEU A 56 4.976 -9.634 -4.508 1.00 0.00 C ATOM 860 C LEU A 56 6.027 -9.452 -3.434 1.00 0.00 C ATOM 861 O LEU A 56 5.712 -9.419 -2.242 1.00 0.00 O ATOM 862 CB LEU A 56 5.139 -11.008 -5.173 1.00 0.00 C ATOM 863 CG LEU A 56 4.117 -11.388 -6.250 1.00 0.00 C ATOM 864 CD1 LEU A 56 4.396 -12.786 -6.767 1.00 0.00 C ATOM 865 CD2 LEU A 56 2.694 -11.292 -5.718 1.00 0.00 C ATOM 0 H LEU A 56 5.467 -8.804 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 56 3.986 -9.597 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.133 -11.052 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.106 -11.768 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 56 4.214 -10.681 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.663 -13.044 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.397 -12.822 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.329 -13.498 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.992 -11.568 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.575 -11.969 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.494 -10.270 -5.395 1.00 0.00 H new ATOM 877 N GLU A 57 7.263 -9.312 -3.867 1.00 0.00 N ATOM 878 CA GLU A 57 8.397 -9.130 -2.981 1.00 0.00 C ATOM 879 C GLU A 57 8.206 -7.898 -2.104 1.00 0.00 C ATOM 880 O GLU A 57 8.493 -7.930 -0.917 1.00 0.00 O ATOM 881 CB GLU A 57 9.715 -9.013 -3.765 1.00 0.00 C ATOM 882 CG GLU A 57 9.991 -10.144 -4.749 1.00 0.00 C ATOM 883 CD GLU A 57 9.337 -9.913 -6.086 1.00 0.00 C ATOM 884 OE1 GLU A 57 8.149 -10.212 -6.258 1.00 0.00 O ATOM 885 OE2 GLU A 57 10.001 -9.381 -6.978 1.00 0.00 O ATOM 0 H GLU A 57 7.513 -9.321 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 57 8.455 -10.014 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.710 -8.070 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.539 -8.964 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.067 -10.248 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.632 -11.083 -4.329 1.00 0.00 H new ATOM 892 N MET A 58 7.692 -6.826 -2.697 1.00 0.00 N ATOM 893 CA MET A 58 7.413 -5.591 -1.974 1.00 0.00 C ATOM 894 C MET A 58 6.449 -5.816 -0.870 1.00 0.00 C ATOM 895 O MET A 58 6.712 -5.424 0.255 1.00 0.00 O ATOM 896 CB MET A 58 6.919 -4.476 -2.902 1.00 0.00 C ATOM 897 CG MET A 58 8.035 -3.772 -3.658 1.00 0.00 C ATOM 898 SD MET A 58 8.776 -2.379 -2.749 1.00 0.00 S ATOM 899 CE MET A 58 9.324 -3.096 -1.205 1.00 0.00 C ATOM 0 H MET A 58 7.458 -6.789 -3.689 1.00 0.00 H new ATOM 0 HA MET A 58 8.358 -5.263 -1.542 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.215 -4.898 -3.620 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.371 -3.741 -2.313 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.815 -4.496 -3.893 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.643 -3.407 -4.607 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.910 -2.363 -0.651 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.458 -3.391 -0.613 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.939 -3.973 -1.409 1.00 0.00 H new ATOM 909 N ALA A 59 5.369 -6.508 -1.173 1.00 0.00 N ATOM 910 CA ALA A 59 4.350 -6.810 -0.194 1.00 0.00 C ATOM 911 C ALA A 59 4.956 -7.503 1.024 1.00 0.00 C ATOM 912 O ALA A 59 4.616 -7.202 2.166 1.00 0.00 O ATOM 913 CB ALA A 59 3.259 -7.664 -0.816 1.00 0.00 C ATOM 0 H ALA A 59 5.175 -6.875 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 59 3.905 -5.873 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.498 -7.884 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.805 -7.125 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.690 -8.597 -1.180 1.00 0.00 H new ATOM 919 N GLN A 60 5.901 -8.370 0.766 1.00 0.00 N ATOM 920 CA GLN A 60 6.573 -9.104 1.809 1.00 0.00 C ATOM 921 C GLN A 60 7.522 -8.188 2.581 1.00 0.00 C ATOM 922 O GLN A 60 7.651 -8.293 3.789 1.00 0.00 O ATOM 923 CB GLN A 60 7.322 -10.274 1.207 1.00 0.00 C ATOM 924 CG GLN A 60 6.444 -11.145 0.337 1.00 0.00 C ATOM 925 CD GLN A 60 7.189 -12.285 -0.307 1.00 0.00 C ATOM 926 OE1 GLN A 60 8.391 -12.192 -0.586 1.00 0.00 O ATOM 927 NE2 GLN A 60 6.500 -13.358 -0.554 1.00 0.00 N ATOM 0 H GLN A 60 6.228 -8.588 -0.175 1.00 0.00 H new ATOM 0 HA GLN A 60 5.832 -9.487 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.156 -9.899 0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.747 -10.879 2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.630 -11.547 0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.991 -10.530 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.511 -13.396 -0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.948 -14.162 -0.993 1.00 0.00 H new ATOM 936 N LEU A 61 8.158 -7.278 1.885 1.00 0.00 N ATOM 937 CA LEU A 61 9.058 -6.333 2.521 1.00 0.00 C ATOM 938 C LEU A 61 8.333 -5.371 3.464 1.00 0.00 C ATOM 939 O LEU A 61 8.747 -5.217 4.621 1.00 0.00 O ATOM 940 CB LEU A 61 9.954 -5.600 1.510 1.00 0.00 C ATOM 941 CG LEU A 61 11.338 -6.237 1.237 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.233 -7.639 0.659 1.00 0.00 C ATOM 943 CD2 LEU A 61 12.166 -5.349 0.331 1.00 0.00 C ATOM 0 H LEU A 61 8.072 -7.167 0.875 1.00 0.00 H new ATOM 0 HA LEU A 61 9.725 -6.926 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.417 -5.529 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.110 -4.581 1.865 1.00 0.00 H new ATOM 0 HG LEU A 61 11.839 -6.328 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.233 -8.038 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.701 -8.283 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.689 -7.604 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.135 -5.815 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.647 -5.213 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.312 -4.379 0.807 1.00 0.00 H new ATOM 955 N LEU A 62 7.231 -4.752 3.013 1.00 0.00 N ATOM 956 CA LEU A 62 6.490 -3.871 3.900 1.00 0.00 C ATOM 957 C LEU A 62 5.873 -4.659 5.061 1.00 0.00 C ATOM 958 O LEU A 62 5.795 -4.153 6.186 1.00 0.00 O ATOM 959 CB LEU A 62 5.397 -3.021 3.180 1.00 0.00 C ATOM 960 CG LEU A 62 5.846 -1.992 2.118 1.00 0.00 C ATOM 961 CD1 LEU A 62 7.040 -1.191 2.559 1.00 0.00 C ATOM 962 CD2 LEU A 62 6.074 -2.622 0.791 1.00 0.00 C ATOM 0 H LEU A 62 6.851 -4.846 2.071 1.00 0.00 H new ATOM 0 HA LEU A 62 7.221 -3.161 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.702 -3.711 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.836 -2.485 3.945 1.00 0.00 H new ATOM 0 HG LEU A 62 5.019 -1.291 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.313 -0.484 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.796 -0.646 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.878 -1.862 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.388 -1.861 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.851 -3.381 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.150 -3.086 0.445 1.00 0.00 H new ATOM 974 N ILE A 63 5.478 -5.908 4.802 1.00 0.00 N ATOM 975 CA ILE A 63 4.861 -6.737 5.830 1.00 0.00 C ATOM 976 C ILE A 63 5.910 -7.147 6.906 1.00 0.00 C ATOM 977 O ILE A 63 5.587 -7.271 8.087 1.00 0.00 O ATOM 978 CB ILE A 63 4.121 -7.991 5.182 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.808 -8.311 5.910 1.00 0.00 C ATOM 980 CG2 ILE A 63 5.001 -9.243 5.125 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.960 -8.866 7.311 1.00 0.00 C ATOM 0 H ILE A 63 5.575 -6.362 3.894 1.00 0.00 H new ATOM 0 HA ILE A 63 4.095 -6.154 6.340 1.00 0.00 H new ATOM 0 HB ILE A 63 3.898 -7.700 4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.210 -7.401 5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.247 -9.029 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.440 -10.062 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.888 -9.037 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.302 -9.523 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.974 -9.058 7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.526 -9.797 7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.489 -8.144 7.933 1.00 0.00 H new ATOM 993 N THR A 64 7.159 -7.278 6.495 1.00 0.00 N ATOM 994 CA THR A 64 8.230 -7.675 7.393 1.00 0.00 C ATOM 995 C THR A 64 8.665 -6.517 8.322 1.00 0.00 C ATOM 996 O THR A 64 9.016 -6.738 9.491 1.00 0.00 O ATOM 997 CB THR A 64 9.448 -8.213 6.585 1.00 0.00 C ATOM 998 OG1 THR A 64 9.030 -9.330 5.792 1.00 0.00 O ATOM 999 CG2 THR A 64 10.576 -8.664 7.503 1.00 0.00 C ATOM 0 H THR A 64 7.459 -7.113 5.534 1.00 0.00 H new ATOM 0 HA THR A 64 7.845 -8.474 8.027 1.00 0.00 H new ATOM 0 HB THR A 64 9.817 -7.403 5.956 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.468 -9.015 5.054 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.408 -9.033 6.903 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.911 -7.822 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.218 -9.461 8.155 1.00 0.00 H new ATOM 1007 N HIS A 65 8.626 -5.300 7.822 1.00 0.00 N ATOM 1008 CA HIS A 65 9.063 -4.153 8.616 1.00 0.00 C ATOM 1009 C HIS A 65 7.903 -3.507 9.378 1.00 0.00 C ATOM 1010 O HIS A 65 7.932 -3.383 10.611 1.00 0.00 O ATOM 1011 CB HIS A 65 9.787 -3.107 7.740 1.00 0.00 C ATOM 1012 CG HIS A 65 11.111 -3.564 7.175 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.386 -4.350 6.102 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.332 -3.209 7.700 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.771 -4.479 5.966 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.289 -3.770 6.958 1.00 0.00 N flip ATOM 0 H HIS A 65 8.302 -5.073 6.882 1.00 0.00 H new ATOM 0 HA HIS A 65 9.771 -4.532 9.353 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.132 -2.829 6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.952 -2.208 8.333 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.691 -4.779 5.491 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.489 -2.583 8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 65 13.306 -5.038 5.212 1.00 0.00 H new ATOM 1024 N PHE A 66 6.894 -3.104 8.653 1.00 0.00 N ATOM 1025 CA PHE A 66 5.752 -2.411 9.223 1.00 0.00 C ATOM 1026 C PHE A 66 4.791 -3.359 9.930 1.00 0.00 C ATOM 1027 O PHE A 66 4.587 -3.263 11.135 1.00 0.00 O ATOM 1028 CB PHE A 66 5.039 -1.627 8.125 1.00 0.00 C ATOM 1029 CG PHE A 66 5.937 -0.639 7.454 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.744 -1.025 6.398 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.001 0.666 7.895 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.590 -0.138 5.803 1.00 0.00 C ATOM 1033 CE2 PHE A 66 6.846 1.562 7.292 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.641 1.151 6.243 1.00 0.00 C ATOM 0 H PHE A 66 6.833 -3.244 7.644 1.00 0.00 H new ATOM 0 HA PHE A 66 6.118 -1.723 9.985 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.648 -2.322 7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.184 -1.104 8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.703 -2.043 6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.382 0.984 8.721 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.219 -0.456 4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.889 2.585 7.637 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.308 1.855 5.767 1.00 0.00 H new ATOM 1044 N GLY A 67 4.224 -4.263 9.194 1.00 0.00 N ATOM 1045 CA GLY A 67 3.260 -5.173 9.751 1.00 0.00 C ATOM 1046 C GLY A 67 2.199 -5.447 8.737 1.00 0.00 C ATOM 1047 O GLY A 67 2.222 -4.821 7.706 1.00 0.00 O ATOM 0 H GLY A 67 4.410 -4.395 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.747 -6.103 10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.818 -4.747 10.651 1.00 0.00 H new ATOM 1051 N PRO A 68 1.250 -6.356 8.985 1.00 0.00 N ATOM 1052 CA PRO A 68 0.203 -6.677 8.007 1.00 0.00 C ATOM 1053 C PRO A 68 -0.684 -5.478 7.666 1.00 0.00 C ATOM 1054 O PRO A 68 -0.749 -5.044 6.507 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.624 -7.777 8.678 1.00 0.00 C ATOM 1056 CG PRO A 68 0.196 -8.261 9.826 1.00 0.00 C ATOM 1057 CD PRO A 68 1.126 -7.151 10.215 1.00 0.00 C ATOM 0 HA PRO A 68 0.641 -6.983 7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.584 -7.391 9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.836 -8.587 7.980 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.443 -8.537 10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.758 -9.152 9.547 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.722 -6.559 11.036 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.092 -7.534 10.544 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.344 -4.943 8.671 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.236 -3.808 8.495 1.00 0.00 C ATOM 1067 C GLU A 69 -1.455 -2.563 8.128 1.00 0.00 C ATOM 1068 O GLU A 69 -1.891 -1.759 7.292 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.050 -3.518 9.763 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.745 -4.723 10.357 1.00 0.00 C ATOM 1071 CD GLU A 69 -2.910 -5.416 11.415 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -1.773 -5.846 11.128 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -3.359 -5.531 12.553 1.00 0.00 O ATOM 0 H GLU A 69 -1.280 -5.279 9.632 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.920 -4.071 7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.386 -3.091 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.799 -2.761 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.693 -4.411 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.978 -5.431 9.562 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.292 -2.417 8.738 1.00 0.00 N ATOM 1081 CA GLU A 70 0.529 -1.251 8.537 1.00 0.00 C ATOM 1082 C GLU A 70 1.068 -1.208 7.096 1.00 0.00 C ATOM 1083 O GLU A 70 1.015 -0.173 6.447 1.00 0.00 O ATOM 1084 CB GLU A 70 1.660 -1.216 9.558 1.00 0.00 C ATOM 1085 CG GLU A 70 2.361 0.128 9.656 1.00 0.00 C ATOM 1086 CD GLU A 70 1.454 1.231 10.164 1.00 0.00 C ATOM 1087 OE1 GLU A 70 1.377 1.430 11.392 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.833 1.942 9.364 1.00 0.00 O ATOM 0 H GLU A 70 0.102 -3.103 9.382 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.083 -0.361 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.260 -1.478 10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.394 -1.979 9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.220 0.036 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.745 0.404 8.674 1.00 0.00 H new ATOM 1095 N ALA A 71 1.545 -2.353 6.595 1.00 0.00 N ATOM 1096 CA ALA A 71 2.043 -2.470 5.209 1.00 0.00 C ATOM 1097 C ALA A 71 0.973 -2.058 4.224 1.00 0.00 C ATOM 1098 O ALA A 71 1.236 -1.292 3.288 1.00 0.00 O ATOM 1099 CB ALA A 71 2.461 -3.896 4.918 1.00 0.00 C ATOM 0 H ALA A 71 1.599 -3.221 7.129 1.00 0.00 H new ATOM 0 HA ALA A 71 2.904 -1.810 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.826 -3.966 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.253 -4.190 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.605 -4.559 5.045 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.241 -2.549 4.452 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.364 -2.211 3.610 1.00 0.00 C ATOM 1107 C TRP A 72 -1.645 -0.711 3.646 1.00 0.00 C ATOM 1108 O TRP A 72 -1.817 -0.074 2.590 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.618 -3.049 3.975 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.884 -2.559 3.317 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.061 -2.262 3.937 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.077 -2.254 1.924 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -5.970 -1.802 3.022 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.386 -1.784 1.782 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.264 -2.333 0.787 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.900 -1.390 0.560 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.778 -1.942 -0.424 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.087 -1.475 -0.531 1.00 0.00 C ATOM 0 H TRP A 72 -0.464 -3.184 5.218 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.103 -2.465 2.583 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.447 -4.087 3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.752 -3.035 5.057 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.249 -2.373 4.995 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.928 -1.518 3.230 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.249 -2.696 0.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.913 -1.027 0.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.159 -1.997 -1.307 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.465 -1.175 -1.497 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.645 -0.140 4.836 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.904 1.271 4.976 1.00 0.00 C ATOM 1131 C ARG A 73 -0.824 2.090 4.282 1.00 0.00 C ATOM 1132 O ARG A 73 -1.128 3.045 3.569 1.00 0.00 O ATOM 1133 CB ARG A 73 -2.058 1.685 6.436 1.00 0.00 C ATOM 1134 CG ARG A 73 -2.418 3.150 6.590 1.00 0.00 C ATOM 1135 CD ARG A 73 -2.753 3.520 8.017 1.00 0.00 C ATOM 1136 NE ARG A 73 -1.636 3.380 8.948 1.00 0.00 N ATOM 1137 CZ ARG A 73 -1.537 4.065 10.093 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -2.456 4.994 10.410 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -0.518 3.827 10.902 1.00 0.00 N ATOM 0 H ARG A 73 -1.469 -0.632 5.712 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.856 1.476 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.829 1.074 6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.127 1.485 6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.585 3.763 6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.269 3.380 5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.104 4.552 8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.578 2.895 8.359 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.891 2.724 8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.233 5.179 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.376 5.513 11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.181 3.128 10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.431 4.342 11.778 1.00 0.00 H new ATOM 1153 N LEU A 74 0.421 1.682 4.462 1.00 0.00 N ATOM 1154 CA LEU A 74 1.556 2.324 3.819 1.00 0.00 C ATOM 1155 C LEU A 74 1.405 2.348 2.312 1.00 0.00 C ATOM 1156 O LEU A 74 1.614 3.377 1.694 1.00 0.00 O ATOM 1157 CB LEU A 74 2.886 1.658 4.218 1.00 0.00 C ATOM 1158 CG LEU A 74 3.679 2.302 5.374 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.195 3.670 4.968 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.840 2.420 6.630 1.00 0.00 C ATOM 0 H LEU A 74 0.674 0.895 5.059 1.00 0.00 H new ATOM 0 HA LEU A 74 1.576 3.355 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.678 0.623 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.530 1.635 3.339 1.00 0.00 H new ATOM 0 HG LEU A 74 4.524 1.649 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.752 4.109 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.850 3.570 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.354 4.315 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.433 2.878 7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.966 3.039 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.517 1.428 6.946 1.00 0.00 H new ATOM 1172 N ALA A 75 1.010 1.231 1.728 1.00 0.00 N ATOM 1173 CA ALA A 75 0.846 1.167 0.291 1.00 0.00 C ATOM 1174 C ALA A 75 -0.294 2.052 -0.182 1.00 0.00 C ATOM 1175 O ALA A 75 -0.100 2.874 -1.082 1.00 0.00 O ATOM 1176 CB ALA A 75 0.650 -0.250 -0.188 1.00 0.00 C ATOM 0 H ALA A 75 0.799 0.364 2.223 1.00 0.00 H new ATOM 0 HA ALA A 75 1.770 1.543 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.531 -0.255 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.519 -0.849 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.241 -0.671 0.277 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.470 1.935 0.453 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.637 2.707 0.021 1.00 0.00 C ATOM 1184 C LEU A 76 -2.372 4.200 0.154 1.00 0.00 C ATOM 1185 O LEU A 76 -2.593 4.971 -0.780 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.959 2.245 0.727 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.138 2.527 2.240 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.676 3.927 2.497 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.038 1.503 2.887 1.00 0.00 C ATOM 0 H LEU A 76 -1.634 1.324 1.253 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.800 2.505 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.793 2.713 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.053 1.169 0.579 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.148 2.456 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.786 4.083 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.982 4.664 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.646 4.039 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.143 1.729 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.019 1.528 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.603 0.510 2.769 1.00 0.00 H new ATOM 1201 N SER A 77 -1.789 4.575 1.267 1.00 0.00 N ATOM 1202 CA SER A 77 -1.479 5.943 1.553 1.00 0.00 C ATOM 1203 C SER A 77 -0.239 6.451 0.798 1.00 0.00 C ATOM 1204 O SER A 77 0.136 7.609 0.931 1.00 0.00 O ATOM 1205 CB SER A 77 -1.393 6.161 3.065 1.00 0.00 C ATOM 1206 OG SER A 77 -2.696 6.232 3.640 1.00 0.00 O ATOM 0 H SER A 77 -1.516 3.926 2.005 1.00 0.00 H new ATOM 0 HA SER A 77 -2.298 6.555 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.832 5.347 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.847 7.081 3.274 1.00 0.00 H new ATOM 0 HG SER A 77 -2.620 6.370 4.607 1.00 0.00 H new ATOM 1212 N THR A 78 0.375 5.593 0.001 1.00 0.00 N ATOM 1213 CA THR A 78 1.442 6.013 -0.871 1.00 0.00 C ATOM 1214 C THR A 78 0.919 6.116 -2.313 1.00 0.00 C ATOM 1215 O THR A 78 1.377 6.971 -3.087 1.00 0.00 O ATOM 1216 CB THR A 78 2.681 5.088 -0.778 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.182 5.130 0.557 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.782 5.542 -1.720 1.00 0.00 C ATOM 0 H THR A 78 0.147 4.600 -0.055 1.00 0.00 H new ATOM 0 HA THR A 78 1.778 6.997 -0.545 1.00 0.00 H new ATOM 0 HB THR A 78 2.379 4.078 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.606 4.593 1.140 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.637 4.872 -1.630 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.413 5.525 -2.746 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.087 6.556 -1.461 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.097 5.288 -2.647 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.734 5.324 -3.974 1.00 0.00 C ATOM 1228 C PHE A 79 -1.230 6.737 -4.265 1.00 0.00 C ATOM 1229 O PHE A 79 -1.074 7.260 -5.358 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.942 4.370 -4.066 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.661 2.905 -3.912 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.520 2.331 -4.431 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.573 2.091 -3.263 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.290 0.981 -4.293 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.347 0.740 -3.122 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.203 0.184 -3.637 1.00 0.00 C ATOM 0 H PHE A 79 -0.489 4.590 -2.015 1.00 0.00 H new ATOM 0 HA PHE A 79 0.018 5.009 -4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.662 4.660 -3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.423 4.524 -5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.200 2.946 -4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.477 2.523 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.610 0.544 -4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.067 0.121 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.019 -0.875 -3.529 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.799 7.350 -3.256 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.323 8.696 -3.356 1.00 0.00 C ATOM 1248 C GLU A 80 -1.204 9.737 -3.558 1.00 0.00 C ATOM 1249 O GLU A 80 -1.377 10.707 -4.277 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.127 9.035 -2.103 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.331 8.899 -0.814 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.071 9.364 0.410 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -3.590 10.490 0.395 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.061 8.650 1.439 1.00 0.00 O ATOM 0 H GLU A 80 -1.914 6.928 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.971 8.733 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.498 10.057 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.998 8.382 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.049 7.855 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.407 9.470 -0.907 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.047 9.483 -2.984 1.00 0.00 N ATOM 1262 CA ARG A 81 1.036 10.462 -2.978 1.00 0.00 C ATOM 1263 C ARG A 81 1.691 10.538 -4.327 1.00 0.00 C ATOM 1264 O ARG A 81 2.043 11.609 -4.797 1.00 0.00 O ATOM 1265 CB ARG A 81 2.077 10.090 -1.939 1.00 0.00 C ATOM 1266 CG ARG A 81 1.484 9.785 -0.591 1.00 0.00 C ATOM 1267 CD ARG A 81 0.776 10.960 0.060 1.00 0.00 C ATOM 1268 NE ARG A 81 -0.046 10.490 1.192 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.594 11.248 2.161 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -0.217 12.511 2.338 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -1.510 10.718 2.965 1.00 0.00 N ATOM 0 H ARG A 81 0.175 8.606 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 81 0.608 11.434 -2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.636 9.222 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.790 10.908 -1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.777 8.962 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.277 9.441 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.508 11.688 0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.146 11.467 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.217 9.486 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.497 12.919 1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.642 13.071 3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.792 9.745 2.845 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.931 11.284 3.702 1.00 0.00 H new ATOM 1285 N ILE A 82 1.805 9.390 -4.963 1.00 0.00 N ATOM 1286 CA ILE A 82 2.464 9.277 -6.253 1.00 0.00 C ATOM 1287 C ILE A 82 1.456 9.418 -7.397 1.00 0.00 C ATOM 1288 O ILE A 82 1.770 9.134 -8.550 1.00 0.00 O ATOM 1289 CB ILE A 82 3.220 7.923 -6.376 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.237 6.734 -6.307 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.266 7.819 -5.264 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.881 5.375 -6.508 1.00 0.00 C ATOM 0 H ILE A 82 1.444 8.507 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 82 3.189 10.088 -6.324 1.00 0.00 H new ATOM 0 HB ILE A 82 3.720 7.886 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.739 6.746 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.465 6.872 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.796 6.870 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.976 8.641 -5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.772 7.872 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.119 4.598 -6.444 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.355 5.338 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.632 5.211 -5.736 1.00 0.00 H new ATOM 1304 N ASN A 83 0.262 9.893 -7.049 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.848 10.078 -7.983 1.00 0.00 C ATOM 1306 C ASN A 83 -1.208 8.842 -8.733 1.00 0.00 C ATOM 1307 O ASN A 83 -0.932 8.672 -9.929 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.729 11.311 -8.863 1.00 0.00 C ATOM 1309 CG ASN A 83 -1.050 12.568 -8.098 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -2.184 13.072 -8.129 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -0.107 13.022 -7.343 1.00 0.00 N ATOM 0 H ASN A 83 0.034 10.165 -6.093 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.706 10.286 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.282 11.376 -9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.404 11.219 -9.714 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.279 13.826 -6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 83 0.811 12.576 -7.349 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.724 7.960 -7.973 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.258 6.697 -8.404 1.00 0.00 C ATOM 1320 C ARG A 84 -3.446 6.480 -7.477 1.00 0.00 C ATOM 1321 O ARG A 84 -3.651 5.392 -6.915 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.208 5.604 -8.163 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.177 4.472 -9.185 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.494 3.744 -9.341 1.00 0.00 C ATOM 1325 NE ARG A 84 -2.337 2.609 -10.286 1.00 0.00 N ATOM 1326 CZ ARG A 84 -3.297 2.049 -11.052 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -4.530 2.542 -11.081 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -2.991 1.013 -11.824 1.00 0.00 N ATOM 0 H ARG A 84 -1.798 8.093 -6.964 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.531 6.673 -9.459 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.224 6.072 -8.138 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.381 5.173 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.882 4.878 -10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.410 3.755 -8.893 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.833 3.377 -8.372 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.257 4.430 -9.707 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.402 2.209 -10.365 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.766 3.359 -10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.241 2.104 -11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.039 0.648 -11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.708 0.582 -12.407 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.277 7.514 -7.393 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.318 7.614 -6.437 1.00 0.00 C ATOM 1344 C LYS A 85 -6.384 6.589 -6.684 1.00 0.00 C ATOM 1345 O LYS A 85 -7.112 6.243 -5.784 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.907 9.030 -6.454 1.00 0.00 C ATOM 1347 CG LYS A 85 -6.485 9.476 -7.796 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.111 10.874 -7.742 1.00 0.00 C ATOM 1349 CE LYS A 85 -6.118 11.972 -7.346 1.00 0.00 C ATOM 1350 NZ LYS A 85 -4.951 12.070 -8.265 1.00 0.00 N ATOM 0 H LYS A 85 -4.224 8.318 -8.018 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.900 7.418 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.692 9.089 -5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.129 9.734 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.695 9.466 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.239 8.758 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.534 11.112 -8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.936 10.867 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.636 12.931 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.760 11.781 -6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.269 12.759 -7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.494 11.139 -8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.273 12.381 -9.204 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.429 6.070 -7.899 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.418 5.085 -8.255 1.00 0.00 C ATOM 1366 C ASP A 86 -7.292 3.813 -7.401 1.00 0.00 C ATOM 1367 O ASP A 86 -8.284 3.206 -7.046 1.00 0.00 O ATOM 1368 CB ASP A 86 -7.389 4.745 -9.738 1.00 0.00 C ATOM 1369 CG ASP A 86 -8.473 3.758 -10.112 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -9.659 4.173 -10.232 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -8.168 2.565 -10.314 1.00 0.00 O ATOM 0 H ASP A 86 -5.788 6.319 -8.652 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.387 5.537 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.511 5.657 -10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.415 4.330 -9.996 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.060 3.437 -7.040 1.00 0.00 N ATOM 1377 CA LEU A 87 -5.857 2.256 -6.174 1.00 0.00 C ATOM 1378 C LEU A 87 -6.186 2.616 -4.746 1.00 0.00 C ATOM 1379 O LEU A 87 -6.720 1.816 -3.984 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.412 1.742 -6.229 1.00 0.00 C ATOM 1381 CG LEU A 87 -3.951 1.041 -7.497 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -2.476 0.705 -7.384 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -4.737 -0.231 -7.702 1.00 0.00 C ATOM 0 H LEU A 87 -5.204 3.915 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.515 1.467 -6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.749 2.590 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.271 1.053 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.114 1.704 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.147 0.203 -8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.903 1.622 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.317 0.048 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.399 -0.725 -8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.584 -0.895 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.797 0.007 -7.790 1.00 0.00 H new ATOM 1395 N TRP A 88 -5.891 3.835 -4.423 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.081 4.388 -3.113 1.00 0.00 C ATOM 1397 C TRP A 88 -7.568 4.469 -2.752 1.00 0.00 C ATOM 1398 O TRP A 88 -7.966 4.112 -1.634 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.414 5.750 -3.088 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.696 6.566 -1.875 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.323 6.300 -0.594 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.399 7.804 -1.841 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.751 7.299 0.228 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.411 8.236 -0.511 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.018 8.589 -2.814 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.011 9.422 -0.124 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -7.616 9.769 -2.431 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -7.606 10.176 -1.095 1.00 0.00 C ATOM 0 H TRP A 88 -5.496 4.501 -5.087 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.627 3.744 -2.360 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.336 5.612 -3.172 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.733 6.310 -3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.771 5.428 -0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.601 7.340 1.236 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.028 8.277 -3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.009 9.740 0.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.099 10.387 -3.173 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.079 11.108 -0.824 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.380 4.894 -3.719 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.831 5.007 -3.545 1.00 0.00 C ATOM 1421 C GLU A 89 -10.471 3.658 -3.264 1.00 0.00 C ATOM 1422 O GLU A 89 -11.549 3.572 -2.695 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.485 5.569 -4.787 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.102 6.975 -5.160 1.00 0.00 C ATOM 1425 CD GLU A 89 -10.847 7.416 -6.384 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -10.376 7.168 -7.506 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -11.944 7.986 -6.252 1.00 0.00 O ATOM 0 H GLU A 89 -8.053 5.170 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.984 5.674 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.247 4.915 -5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.566 5.533 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.320 7.649 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.029 7.030 -5.341 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.813 2.616 -3.682 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.321 1.278 -3.503 1.00 0.00 C ATOM 1436 C ARG A 90 -9.992 0.794 -2.095 1.00 0.00 C ATOM 1437 O ARG A 90 -10.682 -0.074 -1.536 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.648 0.347 -4.478 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.703 0.749 -5.936 1.00 0.00 C ATOM 1440 CD ARG A 90 -9.010 -0.294 -6.777 1.00 0.00 C ATOM 1441 NE ARG A 90 -8.657 0.176 -8.115 1.00 0.00 N ATOM 1442 CZ ARG A 90 -7.896 -0.528 -8.956 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -7.639 -1.803 -8.698 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -7.428 0.026 -10.066 1.00 0.00 N ATOM 0 H ARG A 90 -8.911 2.664 -4.156 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.399 1.286 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.602 0.248 -4.190 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.101 -0.639 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.740 0.857 -6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.224 1.718 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.105 -0.620 -6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.657 -1.166 -6.866 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.008 1.084 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.022 -2.241 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.058 -2.346 -9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.649 0.998 -10.283 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.847 -0.520 -10.703 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.953 1.375 -1.526 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.466 0.951 -0.243 1.00 0.00 C ATOM 1460 C GLY A 91 -9.279 1.488 0.900 1.00 0.00 C ATOM 1461 O GLY A 91 -10.065 0.751 1.511 1.00 0.00 O ATOM 0 H GLY A 91 -8.432 2.147 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.467 -0.138 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.431 1.273 -0.129 1.00 0.00 H new