USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 98 THR OG1 : rot 127:sc= 0.13 USER MOD Set 1.2: A 125 THR OG1 : rot 39:sc= 0.669 USER MOD Single : A 52 THR OG1 : rot 23:sc= 0.0963 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -164:sc= -0.128 (180deg=-0.681) USER MOD Single : A 86 THR OG1 : rot 36:sc= 0.332 USER MOD Single : A 91 TYR OH : rot -174:sc= 0.749 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 160:sc= -0.0149 USER MOD Single : A 119 LYS NZ :NH3+ -137:sc= 1.05 (180deg=0.0673) USER MOD Single : A 122 THR OG1 : rot 143:sc= 0.339 USER MOD Single : A 124 MET CE :methyl 133:sc= -0.298 (180deg=-1.55) USER MOD Single : A 126 LYS NZ :NH3+ -155:sc= 0.704 (180deg=0.0615) USER MOD ----------------------------------------------------------------- ATOM 146 N THR A 52 -9.950 7.456 10.482 1.00 0.00 N ATOM 147 CA THR A 52 -8.985 7.124 9.416 1.00 0.00 C ATOM 148 C THR A 52 -9.310 5.711 8.880 1.00 0.00 C ATOM 149 O THR A 52 -9.855 4.877 9.615 1.00 0.00 O ATOM 150 CB THR A 52 -7.500 7.191 9.939 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.248 8.465 10.563 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.457 6.985 8.819 1.00 0.00 C ATOM 0 HA THR A 52 -9.074 7.857 8.614 1.00 0.00 H new ATOM 0 HB THR A 52 -7.394 6.377 10.656 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.096 8.861 10.853 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.454 7.042 9.241 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.603 6.007 8.361 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.577 7.761 8.063 1.00 0.00 H new ATOM 160 N VAL A 53 -8.969 5.438 7.612 1.00 0.00 N ATOM 161 CA VAL A 53 -9.312 4.166 6.974 1.00 0.00 C ATOM 162 C VAL A 53 -8.107 3.224 7.071 1.00 0.00 C ATOM 163 O VAL A 53 -7.082 3.434 6.416 1.00 0.00 O ATOM 164 CB VAL A 53 -9.752 4.340 5.476 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.243 2.989 4.886 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.833 5.444 5.336 1.00 0.00 C ATOM 0 H VAL A 53 -8.456 6.083 7.011 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.168 3.744 7.500 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.882 4.659 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.543 3.133 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.437 2.257 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.095 2.628 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.119 5.543 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.708 5.173 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.433 6.393 5.694 1.00 0.00 H new ATOM 176 N ARG A 54 -8.226 2.236 7.960 1.00 0.00 N ATOM 177 CA ARG A 54 -7.267 1.137 8.095 1.00 0.00 C ATOM 178 C ARG A 54 -7.707 -0.003 7.162 1.00 0.00 C ATOM 179 O ARG A 54 -8.866 -0.426 7.206 1.00 0.00 O ATOM 180 CB ARG A 54 -7.203 0.657 9.575 1.00 0.00 C ATOM 181 CG ARG A 54 -6.352 -0.606 9.823 1.00 0.00 C ATOM 182 CD ARG A 54 -4.877 -0.440 9.429 1.00 0.00 C ATOM 183 NE ARG A 54 -4.152 0.496 10.306 1.00 0.00 N ATOM 184 CZ ARG A 54 -2.899 0.940 10.109 1.00 0.00 C ATOM 185 NH1 ARG A 54 -2.235 0.670 8.992 1.00 0.00 N ATOM 186 NH2 ARG A 54 -2.336 1.717 11.014 1.00 0.00 N ATOM 0 H ARG A 54 -9.004 2.176 8.617 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.267 1.470 7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.806 1.468 10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.218 0.465 9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.410 -0.872 10.879 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.778 -1.437 9.261 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.386 -1.413 9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.819 -0.085 8.400 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.643 0.836 11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.675 0.114 8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.285 1.019 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.851 1.976 11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.385 2.059 10.873 1.00 0.00 H new ATOM 200 N LEU A 55 -6.783 -0.483 6.318 1.00 0.00 N ATOM 201 CA LEU A 55 -7.043 -1.581 5.372 1.00 0.00 C ATOM 202 C LEU A 55 -5.869 -2.577 5.495 1.00 0.00 C ATOM 203 O LEU A 55 -4.699 -2.168 5.486 1.00 0.00 O ATOM 204 CB LEU A 55 -7.192 -1.006 3.915 1.00 0.00 C ATOM 205 CG LEU A 55 -8.107 -1.786 2.899 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.220 -1.024 1.561 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.640 -3.240 2.652 1.00 0.00 C ATOM 0 H LEU A 55 -5.831 -0.121 6.271 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.976 -2.098 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.575 0.011 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.195 -0.937 3.480 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.092 -1.846 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.857 -1.584 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.654 -0.040 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.229 -0.910 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.312 -3.723 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.628 -3.233 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.650 -3.790 3.593 1.00 0.00 H new ATOM 219 N PHE A 56 -6.191 -3.871 5.653 1.00 0.00 N ATOM 220 CA PHE A 56 -5.203 -4.963 5.711 1.00 0.00 C ATOM 221 C PHE A 56 -5.315 -5.765 4.403 1.00 0.00 C ATOM 222 O PHE A 56 -6.434 -6.022 3.932 1.00 0.00 O ATOM 223 CB PHE A 56 -5.496 -5.919 6.904 1.00 0.00 C ATOM 224 CG PHE A 56 -5.651 -5.265 8.278 1.00 0.00 C ATOM 225 CD1 PHE A 56 -6.873 -4.725 8.681 1.00 0.00 C ATOM 226 CD2 PHE A 56 -4.588 -5.211 9.173 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.020 -4.158 9.931 1.00 0.00 C ATOM 228 CE2 PHE A 56 -4.737 -4.642 10.423 1.00 0.00 C ATOM 229 CZ PHE A 56 -5.952 -4.116 10.800 1.00 0.00 C ATOM 0 H PHE A 56 -7.154 -4.193 5.745 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.207 -4.541 5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.410 -6.471 6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.689 -6.649 6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.715 -4.751 8.006 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.631 -5.620 8.886 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.973 -3.747 10.228 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.900 -4.610 11.105 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.068 -3.670 11.777 1.00 0.00 H new ATOM 239 N GLY A 57 -4.178 -6.168 3.833 1.00 0.00 N ATOM 240 CA GLY A 57 -4.170 -6.944 2.595 1.00 0.00 C ATOM 241 C GLY A 57 -2.774 -7.365 2.199 1.00 0.00 C ATOM 242 O GLY A 57 -1.842 -7.251 2.988 1.00 0.00 O ATOM 0 H GLY A 57 -3.251 -5.969 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.794 -7.829 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.611 -6.352 1.793 1.00 0.00 H new ATOM 246 N THR A 58 -2.634 -7.872 0.968 1.00 0.00 N ATOM 247 CA THR A 58 -1.344 -8.338 0.430 1.00 0.00 C ATOM 248 C THR A 58 -1.017 -7.620 -0.889 1.00 0.00 C ATOM 249 O THR A 58 -1.914 -7.349 -1.687 1.00 0.00 O ATOM 250 CB THR A 58 -1.399 -9.880 0.216 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.826 -10.508 1.431 1.00 0.00 O ATOM 252 CG2 THR A 58 -0.048 -10.482 -0.192 1.00 0.00 C ATOM 0 H THR A 58 -3.411 -7.972 0.314 1.00 0.00 H new ATOM 0 HA THR A 58 -0.554 -8.104 1.144 1.00 0.00 H new ATOM 0 HB THR A 58 -2.099 -10.060 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.864 -11.479 1.302 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.155 -11.559 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.283 -10.032 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.689 -10.284 0.587 1.00 0.00 H new ATOM 260 N VAL A 59 0.274 -7.319 -1.100 1.00 0.00 N ATOM 261 CA VAL A 59 0.759 -6.663 -2.323 1.00 0.00 C ATOM 262 C VAL A 59 0.822 -7.695 -3.454 1.00 0.00 C ATOM 263 O VAL A 59 1.528 -8.700 -3.330 1.00 0.00 O ATOM 264 CB VAL A 59 2.187 -6.041 -2.119 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.666 -5.263 -3.373 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.222 -5.141 -0.871 1.00 0.00 C ATOM 0 H VAL A 59 1.011 -7.524 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 59 0.068 -5.857 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 59 2.880 -6.869 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.658 -4.850 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.708 -5.939 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.969 -4.452 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.221 -4.723 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.501 -4.332 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.968 -5.731 0.010 1.00 0.00 H new ATOM 276 N ALA A 60 0.064 -7.449 -4.529 1.00 0.00 N ATOM 277 CA ALA A 60 0.086 -8.294 -5.728 1.00 0.00 C ATOM 278 C ALA A 60 1.425 -8.125 -6.471 1.00 0.00 C ATOM 279 O ALA A 60 1.996 -7.022 -6.501 1.00 0.00 O ATOM 280 CB ALA A 60 -1.106 -7.966 -6.643 1.00 0.00 C ATOM 0 H ALA A 60 -0.580 -6.661 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.006 -9.337 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.072 -8.603 -7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.037 -8.142 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.054 -6.921 -6.947 1.00 0.00 H new ATOM 286 N ALA A 61 1.935 -9.236 -7.035 1.00 0.00 N ATOM 287 CA ALA A 61 3.181 -9.238 -7.826 1.00 0.00 C ATOM 288 C ALA A 61 2.983 -8.455 -9.123 1.00 0.00 C ATOM 289 O ALA A 61 3.842 -7.667 -9.542 1.00 0.00 O ATOM 290 CB ALA A 61 3.626 -10.678 -8.125 1.00 0.00 C ATOM 0 H ALA A 61 1.497 -10.154 -6.956 1.00 0.00 H new ATOM 0 HA ALA A 61 3.965 -8.753 -7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.546 -10.661 -8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.801 -11.207 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.847 -11.190 -8.690 1.00 0.00 H new ATOM 296 N ASP A 62 1.818 -8.683 -9.738 1.00 0.00 N ATOM 297 CA ASP A 62 1.379 -7.953 -10.927 1.00 0.00 C ATOM 298 C ASP A 62 0.813 -6.597 -10.502 1.00 0.00 C ATOM 299 O ASP A 62 -0.162 -6.541 -9.750 1.00 0.00 O ATOM 300 CB ASP A 62 0.320 -8.767 -11.718 1.00 0.00 C ATOM 301 CG ASP A 62 0.837 -10.144 -12.158 1.00 0.00 C ATOM 302 OD1 ASP A 62 1.517 -10.228 -13.201 1.00 0.00 O ATOM 303 OD2 ASP A 62 0.572 -11.147 -11.458 1.00 0.00 O ATOM 0 H ASP A 62 1.150 -9.385 -9.421 1.00 0.00 H new ATOM 0 HA ASP A 62 2.233 -7.798 -11.587 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.568 -8.898 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.015 -8.200 -12.598 1.00 0.00 H new ATOM 308 N GLY A 63 1.453 -5.515 -10.962 1.00 0.00 N ATOM 309 CA GLY A 63 0.987 -4.160 -10.694 1.00 0.00 C ATOM 310 C GLY A 63 1.649 -3.558 -9.469 1.00 0.00 C ATOM 311 O GLY A 63 0.993 -3.289 -8.458 1.00 0.00 O ATOM 0 H GLY A 63 2.302 -5.559 -11.526 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.189 -3.530 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.094 -4.171 -10.553 1.00 0.00 H new ATOM 315 N LEU A 64 2.970 -3.367 -9.555 1.00 0.00 N ATOM 316 CA LEU A 64 3.770 -2.707 -8.515 1.00 0.00 C ATOM 317 C LEU A 64 4.686 -1.683 -9.222 1.00 0.00 C ATOM 318 O LEU A 64 5.690 -2.053 -9.834 1.00 0.00 O ATOM 319 CB LEU A 64 4.577 -3.769 -7.679 1.00 0.00 C ATOM 320 CG LEU A 64 5.003 -3.358 -6.219 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.667 -4.538 -5.477 1.00 0.00 C ATOM 322 CD2 LEU A 64 5.924 -2.114 -6.190 1.00 0.00 C ATOM 0 H LEU A 64 3.521 -3.670 -10.358 1.00 0.00 H new ATOM 0 HA LEU A 64 3.136 -2.186 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.976 -4.676 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.479 -4.024 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 64 4.084 -3.088 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.950 -4.223 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.964 -5.369 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.556 -4.856 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.185 -1.878 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.833 -2.321 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.404 -1.266 -6.636 1.00 0.00 H new ATOM 334 N THR A 65 4.300 -0.404 -9.158 1.00 0.00 N ATOM 335 CA THR A 65 5.020 0.700 -9.814 1.00 0.00 C ATOM 336 C THR A 65 5.665 1.621 -8.759 1.00 0.00 C ATOM 337 O THR A 65 4.964 2.244 -7.963 1.00 0.00 O ATOM 338 CB THR A 65 4.049 1.520 -10.723 1.00 0.00 C ATOM 339 OG1 THR A 65 3.277 0.618 -11.528 1.00 0.00 O ATOM 340 CG2 THR A 65 4.801 2.487 -11.650 1.00 0.00 C ATOM 0 H THR A 65 3.472 -0.100 -8.646 1.00 0.00 H new ATOM 0 HA THR A 65 5.807 0.277 -10.438 1.00 0.00 H new ATOM 0 HB THR A 65 3.406 2.108 -10.069 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.666 1.130 -12.098 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.085 3.035 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.379 3.190 -11.050 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.474 1.923 -12.296 1.00 0.00 H new ATOM 348 N MET A 66 7.000 1.698 -8.771 1.00 0.00 N ATOM 349 CA MET A 66 7.770 2.553 -7.857 1.00 0.00 C ATOM 350 C MET A 66 7.870 3.979 -8.430 1.00 0.00 C ATOM 351 O MET A 66 7.944 4.154 -9.654 1.00 0.00 O ATOM 352 CB MET A 66 9.193 1.970 -7.645 1.00 0.00 C ATOM 353 CG MET A 66 9.250 0.654 -6.861 1.00 0.00 C ATOM 354 SD MET A 66 8.594 0.803 -5.195 1.00 0.00 S ATOM 355 CE MET A 66 9.583 2.133 -4.489 1.00 0.00 C ATOM 0 H MET A 66 7.582 1.166 -9.419 1.00 0.00 H new ATOM 0 HA MET A 66 7.257 2.588 -6.896 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.653 1.813 -8.621 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.798 2.712 -7.123 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.688 -0.109 -7.400 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.284 0.312 -6.810 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.478 2.128 -3.404 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.631 1.987 -4.752 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.240 3.090 -4.883 1.00 0.00 H new ATOM 365 N LEU A 67 7.855 4.988 -7.541 1.00 0.00 N ATOM 366 CA LEU A 67 8.047 6.394 -7.925 1.00 0.00 C ATOM 367 C LEU A 67 9.554 6.703 -7.983 1.00 0.00 C ATOM 368 O LEU A 67 10.289 6.444 -7.019 1.00 0.00 O ATOM 369 CB LEU A 67 7.324 7.349 -6.928 1.00 0.00 C ATOM 370 CG LEU A 67 5.764 7.190 -6.828 1.00 0.00 C ATOM 371 CD1 LEU A 67 5.160 8.201 -5.822 1.00 0.00 C ATOM 372 CD2 LEU A 67 5.101 7.324 -8.215 1.00 0.00 C ATOM 0 H LEU A 67 7.710 4.851 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 67 7.609 6.557 -8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.749 7.195 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.547 8.377 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 67 5.557 6.187 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.079 8.066 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.590 8.033 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.385 9.217 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.022 7.210 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.325 8.306 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.488 6.551 -8.879 1.00 0.00 H new ATOM 384 N ASP A 68 9.999 7.239 -9.125 1.00 0.00 N ATOM 385 CA ASP A 68 11.396 7.664 -9.346 1.00 0.00 C ATOM 386 C ASP A 68 11.473 9.186 -9.192 1.00 0.00 C ATOM 387 O ASP A 68 10.555 9.904 -9.609 1.00 0.00 O ATOM 388 CB ASP A 68 11.913 7.220 -10.750 1.00 0.00 C ATOM 389 CG ASP A 68 12.227 5.710 -10.839 1.00 0.00 C ATOM 390 OD1 ASP A 68 13.284 5.288 -10.311 1.00 0.00 O ATOM 391 OD2 ASP A 68 11.436 4.938 -11.433 1.00 0.00 O ATOM 0 H ASP A 68 9.397 7.394 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 68 12.038 7.185 -8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.165 7.473 -11.501 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.812 7.786 -10.993 1.00 0.00 H new ATOM 396 N GLY A 69 12.559 9.663 -8.563 1.00 0.00 N ATOM 397 CA GLY A 69 12.773 11.099 -8.317 1.00 0.00 C ATOM 398 C GLY A 69 12.059 11.616 -7.061 1.00 0.00 C ATOM 399 O GLY A 69 12.117 12.815 -6.768 1.00 0.00 O ATOM 0 H GLY A 69 13.310 9.068 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.842 11.288 -8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.425 11.664 -9.182 1.00 0.00 H new ATOM 403 N ALA A 70 11.400 10.700 -6.316 1.00 0.00 N ATOM 404 CA ALA A 70 10.646 11.020 -5.084 1.00 0.00 C ATOM 405 C ALA A 70 10.335 9.723 -4.299 1.00 0.00 C ATOM 406 O ALA A 70 10.038 8.691 -4.925 1.00 0.00 O ATOM 407 CB ALA A 70 9.336 11.775 -5.409 1.00 0.00 C ATOM 0 H ALA A 70 11.377 9.709 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 70 11.265 11.671 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.804 11.996 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.571 12.707 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.708 11.155 -6.049 1.00 0.00 H new ATOM 413 N PRO A 71 10.430 9.744 -2.925 1.00 0.00 N ATOM 414 CA PRO A 71 10.067 8.583 -2.083 1.00 0.00 C ATOM 415 C PRO A 71 8.549 8.281 -2.146 1.00 0.00 C ATOM 416 O PRO A 71 7.722 9.097 -1.719 1.00 0.00 O ATOM 417 CB PRO A 71 10.529 9.002 -0.660 1.00 0.00 C ATOM 418 CG PRO A 71 10.522 10.501 -0.689 1.00 0.00 C ATOM 419 CD PRO A 71 10.916 10.883 -2.097 1.00 0.00 C ATOM 0 HA PRO A 71 10.538 7.657 -2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.855 8.617 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.522 8.614 -0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.536 10.893 -0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.223 10.910 0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.455 11.823 -2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.994 11.013 -2.189 1.00 0.00 H new ATOM 427 N GLY A 72 8.212 7.123 -2.729 1.00 0.00 N ATOM 428 CA GLY A 72 6.842 6.643 -2.806 1.00 0.00 C ATOM 429 C GLY A 72 6.707 5.413 -3.695 1.00 0.00 C ATOM 430 O GLY A 72 7.663 5.011 -4.377 1.00 0.00 O ATOM 0 H GLY A 72 8.891 6.496 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.487 6.404 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.202 7.438 -3.190 1.00 0.00 H new ATOM 434 N VAL A 73 5.503 4.838 -3.694 1.00 0.00 N ATOM 435 CA VAL A 73 5.165 3.633 -4.447 1.00 0.00 C ATOM 436 C VAL A 73 3.637 3.519 -4.612 1.00 0.00 C ATOM 437 O VAL A 73 2.869 3.818 -3.690 1.00 0.00 O ATOM 438 CB VAL A 73 5.728 2.331 -3.751 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.240 2.188 -2.282 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.396 1.065 -4.580 1.00 0.00 C ATOM 0 H VAL A 73 4.719 5.207 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 73 5.632 3.717 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 73 6.812 2.435 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.654 1.278 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.572 3.050 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.151 2.136 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.796 0.185 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.315 0.967 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.843 1.151 -5.570 1.00 0.00 H new ATOM 450 N ARG A 74 3.210 3.129 -5.815 1.00 0.00 N ATOM 451 CA ARG A 74 1.843 2.678 -6.075 1.00 0.00 C ATOM 452 C ARG A 74 1.880 1.162 -6.303 1.00 0.00 C ATOM 453 O ARG A 74 2.762 0.660 -7.000 1.00 0.00 O ATOM 454 CB ARG A 74 1.231 3.404 -7.293 1.00 0.00 C ATOM 455 CG ARG A 74 -0.253 3.050 -7.563 1.00 0.00 C ATOM 456 CD ARG A 74 -0.851 3.869 -8.716 1.00 0.00 C ATOM 457 NE ARG A 74 -0.721 5.322 -8.473 1.00 0.00 N ATOM 458 CZ ARG A 74 -1.610 6.258 -8.822 1.00 0.00 C ATOM 459 NH1 ARG A 74 -2.741 5.930 -9.425 1.00 0.00 N ATOM 460 NH2 ARG A 74 -1.347 7.532 -8.567 1.00 0.00 N ATOM 0 H ARG A 74 3.808 3.118 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 74 1.210 2.915 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.314 4.480 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.818 3.162 -8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.334 1.988 -7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.835 3.223 -6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.349 3.608 -9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.903 3.612 -8.839 1.00 0.00 H new ATOM 0 HE ARG A 74 0.123 5.639 -7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.945 4.952 -9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.409 6.655 -9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.473 7.791 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.018 8.254 -8.829 1.00 0.00 H new ATOM 474 N PHE A 75 0.922 0.439 -5.721 1.00 0.00 N ATOM 475 CA PHE A 75 0.878 -1.032 -5.796 1.00 0.00 C ATOM 476 C PHE A 75 -0.569 -1.509 -5.784 1.00 0.00 C ATOM 477 O PHE A 75 -1.445 -0.835 -5.243 1.00 0.00 O ATOM 478 CB PHE A 75 1.693 -1.671 -4.636 1.00 0.00 C ATOM 479 CG PHE A 75 1.225 -1.300 -3.216 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.629 -0.101 -2.616 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.404 -2.160 -2.473 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.227 0.223 -1.331 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.005 -1.831 -1.190 1.00 0.00 C ATOM 484 CZ PHE A 75 0.420 -0.645 -0.618 1.00 0.00 C ATOM 0 H PHE A 75 0.156 0.849 -5.186 1.00 0.00 H new ATOM 0 HA PHE A 75 1.338 -1.351 -6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.654 -2.755 -4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.737 -1.378 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.263 0.581 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.078 -3.093 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.544 1.154 -0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.632 -2.503 -0.635 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.114 -0.395 0.387 1.00 0.00 H new ATOM 494 N ARG A 76 -0.810 -2.686 -6.357 1.00 0.00 N ATOM 495 CA ARG A 76 -2.153 -3.242 -6.484 1.00 0.00 C ATOM 496 C ARG A 76 -2.402 -4.136 -5.267 1.00 0.00 C ATOM 497 O ARG A 76 -1.935 -5.274 -5.214 1.00 0.00 O ATOM 498 CB ARG A 76 -2.278 -4.028 -7.814 1.00 0.00 C ATOM 499 CG ARG A 76 -3.712 -4.478 -8.154 1.00 0.00 C ATOM 500 CD ARG A 76 -3.785 -5.332 -9.432 1.00 0.00 C ATOM 501 NE ARG A 76 -2.963 -6.558 -9.320 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.250 -7.753 -9.859 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.344 -7.936 -10.580 1.00 0.00 N ATOM 504 NH2 ARG A 76 -2.421 -8.765 -9.679 1.00 0.00 N ATOM 0 H ARG A 76 -0.078 -3.281 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.905 -2.453 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.903 -3.406 -8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.636 -4.908 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.116 -5.049 -7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.344 -3.598 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.822 -5.606 -9.628 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.445 -4.742 -10.283 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.098 -6.488 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.988 -7.161 -10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.543 -8.853 -10.981 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.569 -8.636 -9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.633 -9.676 -10.086 1.00 0.00 H new ATOM 518 N LEU A 77 -3.070 -3.570 -4.263 1.00 0.00 N ATOM 519 CA LEU A 77 -3.392 -4.263 -3.016 1.00 0.00 C ATOM 520 C LEU A 77 -4.594 -5.195 -3.222 1.00 0.00 C ATOM 521 O LEU A 77 -5.573 -4.818 -3.866 1.00 0.00 O ATOM 522 CB LEU A 77 -3.726 -3.234 -1.904 1.00 0.00 C ATOM 523 CG LEU A 77 -3.988 -3.830 -0.487 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.702 -4.433 0.093 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.593 -2.785 0.467 1.00 0.00 C ATOM 0 H LEU A 77 -3.406 -2.608 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.526 -4.853 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.902 -2.524 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.607 -2.670 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.721 -4.629 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.906 -4.843 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.345 -5.227 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.940 -3.658 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.761 -3.238 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.906 -1.945 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.541 -2.430 0.064 1.00 0.00 H new ATOM 537 N GLU A 78 -4.507 -6.394 -2.643 1.00 0.00 N ATOM 538 CA GLU A 78 -5.591 -7.378 -2.636 1.00 0.00 C ATOM 539 C GLU A 78 -6.239 -7.346 -1.249 1.00 0.00 C ATOM 540 O GLU A 78 -5.570 -7.675 -0.257 1.00 0.00 O ATOM 541 CB GLU A 78 -5.040 -8.795 -2.958 1.00 0.00 C ATOM 542 CG GLU A 78 -4.235 -8.873 -4.276 1.00 0.00 C ATOM 543 CD GLU A 78 -3.906 -10.308 -4.706 1.00 0.00 C ATOM 544 OE1 GLU A 78 -4.827 -11.019 -5.168 1.00 0.00 O ATOM 545 OE2 GLU A 78 -2.743 -10.743 -4.591 1.00 0.00 O ATOM 0 H GLU A 78 -3.668 -6.714 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.330 -7.137 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.403 -9.121 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.874 -9.494 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.802 -8.385 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.306 -8.315 -4.159 1.00 0.00 H new ATOM 552 N ASP A 79 -7.509 -6.893 -1.182 1.00 0.00 N ATOM 553 CA ASP A 79 -8.288 -6.839 0.078 1.00 0.00 C ATOM 554 C ASP A 79 -8.390 -8.257 0.687 1.00 0.00 C ATOM 555 O ASP A 79 -8.764 -9.201 -0.016 1.00 0.00 O ATOM 556 CB ASP A 79 -9.700 -6.252 -0.195 1.00 0.00 C ATOM 557 CG ASP A 79 -10.567 -6.116 1.070 1.00 0.00 C ATOM 558 OD1 ASP A 79 -11.229 -7.105 1.476 1.00 0.00 O ATOM 559 OD2 ASP A 79 -10.586 -5.023 1.675 1.00 0.00 O ATOM 0 H ASP A 79 -8.023 -6.555 -1.995 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.781 -6.190 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.593 -5.271 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.217 -6.889 -0.912 1.00 0.00 H new ATOM 659 N THR A 86 -9.046 -5.772 -6.125 1.00 0.00 N ATOM 660 CA THR A 86 -7.633 -5.399 -6.211 1.00 0.00 C ATOM 661 C THR A 86 -7.561 -3.893 -6.532 1.00 0.00 C ATOM 662 O THR A 86 -7.753 -3.468 -7.681 1.00 0.00 O ATOM 663 CB THR A 86 -6.846 -6.245 -7.270 1.00 0.00 C ATOM 664 OG1 THR A 86 -7.485 -6.185 -8.549 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.707 -7.714 -6.845 1.00 0.00 C ATOM 0 HA THR A 86 -7.151 -5.610 -5.256 1.00 0.00 H new ATOM 0 HB THR A 86 -5.849 -5.809 -7.338 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.870 -5.293 -8.681 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.155 -8.263 -7.608 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.170 -7.770 -5.898 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.697 -8.154 -6.727 1.00 0.00 H new ATOM 673 N VAL A 87 -7.319 -3.106 -5.483 1.00 0.00 N ATOM 674 CA VAL A 87 -7.332 -1.639 -5.534 1.00 0.00 C ATOM 675 C VAL A 87 -5.892 -1.126 -5.556 1.00 0.00 C ATOM 676 O VAL A 87 -5.032 -1.670 -4.869 1.00 0.00 O ATOM 677 CB VAL A 87 -8.106 -1.058 -4.281 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.101 0.500 -4.234 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.553 -1.614 -4.237 1.00 0.00 C ATOM 0 H VAL A 87 -7.104 -3.474 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.846 -1.309 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.571 -1.391 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.647 0.839 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.073 0.859 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.580 0.893 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.073 -1.206 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.081 -1.326 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.523 -2.701 -4.164 1.00 0.00 H new ATOM 689 N TRP A 88 -5.642 -0.069 -6.332 1.00 0.00 N ATOM 690 CA TRP A 88 -4.329 0.575 -6.403 1.00 0.00 C ATOM 691 C TRP A 88 -4.175 1.477 -5.180 1.00 0.00 C ATOM 692 O TRP A 88 -5.114 2.162 -4.808 1.00 0.00 O ATOM 693 CB TRP A 88 -4.202 1.387 -7.709 1.00 0.00 C ATOM 694 CG TRP A 88 -4.312 0.531 -8.950 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.427 0.295 -9.708 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.256 -0.218 -9.560 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.125 -0.548 -10.746 1.00 0.00 N ATOM 698 CE2 TRP A 88 -3.802 -0.880 -10.671 1.00 0.00 C ATOM 699 CE3 TRP A 88 -1.903 -0.396 -9.267 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.044 -1.697 -11.496 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.151 -1.206 -10.087 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.726 -1.852 -11.191 1.00 0.00 C ATOM 0 H TRP A 88 -6.346 0.365 -6.930 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.538 -0.175 -6.406 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.978 2.152 -7.732 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.243 1.906 -7.716 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.404 0.713 -9.516 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.780 -0.874 -11.457 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.455 0.092 -8.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.483 -2.192 -12.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.101 -1.346 -9.877 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.111 -2.486 -11.812 1.00 0.00 H new ATOM 713 N VAL A 89 -3.004 1.450 -4.547 1.00 0.00 N ATOM 714 CA VAL A 89 -2.731 2.201 -3.325 1.00 0.00 C ATOM 715 C VAL A 89 -1.523 3.098 -3.561 1.00 0.00 C ATOM 716 O VAL A 89 -0.427 2.613 -3.856 1.00 0.00 O ATOM 717 CB VAL A 89 -2.481 1.251 -2.099 1.00 0.00 C ATOM 718 CG1 VAL A 89 -2.118 2.051 -0.819 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.711 0.343 -1.849 1.00 0.00 C ATOM 0 H VAL A 89 -2.209 0.899 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.605 2.806 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.628 0.618 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.952 1.360 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.211 2.629 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.936 2.727 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.516 -0.307 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.584 0.962 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.899 -0.266 -2.733 1.00 0.00 H new ATOM 729 N LEU A 90 -1.759 4.404 -3.444 1.00 0.00 N ATOM 730 CA LEU A 90 -0.729 5.422 -3.565 1.00 0.00 C ATOM 731 C LEU A 90 -0.191 5.723 -2.161 1.00 0.00 C ATOM 732 O LEU A 90 -0.757 6.532 -1.419 1.00 0.00 O ATOM 733 CB LEU A 90 -1.299 6.707 -4.234 1.00 0.00 C ATOM 734 CG LEU A 90 -0.288 7.878 -4.456 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.895 7.443 -5.354 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.014 9.127 -5.020 1.00 0.00 C ATOM 0 H LEU A 90 -2.687 4.785 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 90 0.080 5.063 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.721 6.431 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.121 7.076 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 90 0.135 8.149 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.578 8.282 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.424 6.615 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.517 7.125 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.293 9.931 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.480 8.878 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.780 9.451 -4.316 1.00 0.00 H new ATOM 748 N TYR A 91 0.874 5.006 -1.794 1.00 0.00 N ATOM 749 CA TYR A 91 1.642 5.277 -0.574 1.00 0.00 C ATOM 750 C TYR A 91 2.819 6.174 -0.951 1.00 0.00 C ATOM 751 O TYR A 91 3.686 5.755 -1.706 1.00 0.00 O ATOM 752 CB TYR A 91 2.161 3.975 0.114 1.00 0.00 C ATOM 753 CG TYR A 91 3.149 4.270 1.270 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.716 4.917 2.433 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.514 3.950 1.176 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.596 5.225 3.454 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.390 4.254 2.200 1.00 0.00 C ATOM 758 CZ TYR A 91 4.929 4.894 3.331 1.00 0.00 C ATOM 759 OH TYR A 91 5.800 5.190 4.352 1.00 0.00 O ATOM 0 H TYR A 91 1.230 4.218 -2.336 1.00 0.00 H new ATOM 0 HA TYR A 91 0.987 5.765 0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.313 3.409 0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.652 3.346 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.674 5.181 2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.884 3.458 0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.241 5.723 4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.434 3.991 2.115 1.00 0.00 H new ATOM 0 HH TYR A 91 6.716 4.985 4.070 1.00 0.00 H new ATOM 769 N LYS A 92 2.850 7.394 -0.424 1.00 0.00 N ATOM 770 CA LYS A 92 3.983 8.309 -0.604 1.00 0.00 C ATOM 771 C LYS A 92 4.671 8.502 0.745 1.00 0.00 C ATOM 772 O LYS A 92 4.014 8.485 1.793 1.00 0.00 O ATOM 773 CB LYS A 92 3.520 9.648 -1.229 1.00 0.00 C ATOM 774 CG LYS A 92 2.959 9.495 -2.665 1.00 0.00 C ATOM 775 CD LYS A 92 2.606 10.844 -3.321 1.00 0.00 C ATOM 776 CE LYS A 92 1.556 11.639 -2.528 1.00 0.00 C ATOM 777 NZ LYS A 92 1.250 12.941 -3.168 1.00 0.00 N ATOM 0 H LYS A 92 2.093 7.780 0.140 1.00 0.00 H new ATOM 0 HA LYS A 92 4.703 7.883 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.754 10.092 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.360 10.342 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.693 8.978 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.068 8.867 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.511 11.443 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.233 10.665 -4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.642 11.051 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.919 11.809 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.538 13.447 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.117 13.512 -3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.880 12.778 -4.126 1.00 0.00 H new ATOM 791 N GLY A 93 5.991 8.629 0.707 1.00 0.00 N ATOM 792 CA GLY A 93 6.821 8.720 1.905 1.00 0.00 C ATOM 793 C GLY A 93 7.941 7.704 1.844 1.00 0.00 C ATOM 794 O GLY A 93 8.121 7.040 0.813 1.00 0.00 O ATOM 0 H GLY A 93 6.522 8.672 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.236 9.724 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.212 8.547 2.792 1.00 0.00 H new ATOM 798 N ALA A 94 8.686 7.566 2.947 1.00 0.00 N ATOM 799 CA ALA A 94 9.813 6.633 3.046 1.00 0.00 C ATOM 800 C ALA A 94 9.312 5.180 2.962 1.00 0.00 C ATOM 801 O ALA A 94 8.611 4.706 3.864 1.00 0.00 O ATOM 802 CB ALA A 94 10.579 6.880 4.356 1.00 0.00 C ATOM 0 H ALA A 94 8.523 8.101 3.800 1.00 0.00 H new ATOM 0 HA ALA A 94 10.494 6.801 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.415 6.184 4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.956 7.903 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.910 6.728 5.203 1.00 0.00 H new ATOM 808 N VAL A 95 9.649 4.503 1.858 1.00 0.00 N ATOM 809 CA VAL A 95 9.263 3.107 1.613 1.00 0.00 C ATOM 810 C VAL A 95 10.213 2.173 2.402 1.00 0.00 C ATOM 811 O VAL A 95 11.436 2.279 2.254 1.00 0.00 O ATOM 812 CB VAL A 95 9.302 2.760 0.067 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.852 1.299 -0.209 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.454 3.773 -0.754 1.00 0.00 C ATOM 0 H VAL A 95 10.201 4.911 1.104 1.00 0.00 H new ATOM 0 HA VAL A 95 8.238 2.961 1.953 1.00 0.00 H new ATOM 0 HB VAL A 95 10.339 2.845 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.893 1.102 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.515 0.609 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.831 1.159 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.498 3.512 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.419 3.740 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.850 4.778 -0.612 1.00 0.00 H new ATOM 824 N PRO A 96 9.673 1.276 3.295 1.00 0.00 N ATOM 825 CA PRO A 96 10.504 0.284 4.017 1.00 0.00 C ATOM 826 C PRO A 96 11.076 -0.779 3.054 1.00 0.00 C ATOM 827 O PRO A 96 10.418 -1.154 2.080 1.00 0.00 O ATOM 828 CB PRO A 96 9.521 -0.342 5.041 1.00 0.00 C ATOM 829 CG PRO A 96 8.163 -0.156 4.422 1.00 0.00 C ATOM 830 CD PRO A 96 8.234 1.169 3.683 1.00 0.00 C ATOM 0 HA PRO A 96 11.376 0.731 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.740 -1.397 5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.587 0.154 6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.927 -0.973 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.383 -0.140 5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.581 1.177 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.927 2.000 4.318 1.00 0.00 H new ATOM 838 N ASP A 97 12.303 -1.251 3.346 1.00 0.00 N ATOM 839 CA ASP A 97 12.998 -2.297 2.541 1.00 0.00 C ATOM 840 C ASP A 97 12.275 -3.655 2.641 1.00 0.00 C ATOM 841 O ASP A 97 12.505 -4.558 1.832 1.00 0.00 O ATOM 842 CB ASP A 97 14.474 -2.460 2.995 1.00 0.00 C ATOM 843 CG ASP A 97 15.228 -1.126 3.066 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.814 -0.695 2.049 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.233 -0.491 4.147 1.00 0.00 O ATOM 0 H ASP A 97 12.847 -0.924 4.144 1.00 0.00 H new ATOM 0 HA ASP A 97 12.980 -1.967 1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.497 -2.937 3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.990 -3.127 2.304 1.00 0.00 H new ATOM 850 N THR A 98 11.409 -3.774 3.655 1.00 0.00 N ATOM 851 CA THR A 98 10.589 -4.960 3.908 1.00 0.00 C ATOM 852 C THR A 98 9.386 -5.055 2.939 1.00 0.00 C ATOM 853 O THR A 98 8.804 -6.136 2.773 1.00 0.00 O ATOM 854 CB THR A 98 10.101 -4.944 5.388 1.00 0.00 C ATOM 855 OG1 THR A 98 9.473 -3.682 5.673 1.00 0.00 O ATOM 856 CG2 THR A 98 11.258 -5.177 6.380 1.00 0.00 C ATOM 0 H THR A 98 11.257 -3.030 4.336 1.00 0.00 H new ATOM 0 HA THR A 98 11.205 -5.842 3.733 1.00 0.00 H new ATOM 0 HB THR A 98 9.388 -5.759 5.511 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.579 -3.838 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.873 -5.158 7.399 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.716 -6.146 6.183 1.00 0.00 H new ATOM 0 HG23 THR A 98 12.004 -4.392 6.259 1.00 0.00 H new ATOM 864 N PHE A 99 9.019 -3.909 2.327 1.00 0.00 N ATOM 865 CA PHE A 99 7.943 -3.839 1.321 1.00 0.00 C ATOM 866 C PHE A 99 8.385 -4.576 0.041 1.00 0.00 C ATOM 867 O PHE A 99 9.445 -4.283 -0.508 1.00 0.00 O ATOM 868 CB PHE A 99 7.578 -2.360 1.024 1.00 0.00 C ATOM 869 CG PHE A 99 6.538 -2.184 -0.083 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.181 -2.361 0.177 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.924 -1.873 -1.385 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.249 -2.232 -0.829 1.00 0.00 C ATOM 873 CE2 PHE A 99 5.989 -1.746 -2.386 1.00 0.00 C ATOM 874 CZ PHE A 99 4.653 -1.928 -2.111 1.00 0.00 C ATOM 0 H PHE A 99 9.460 -3.009 2.517 1.00 0.00 H new ATOM 0 HA PHE A 99 7.049 -4.328 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.202 -1.899 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.484 -1.822 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.856 -2.602 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.970 -1.730 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.200 -2.369 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.304 -1.503 -3.390 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.921 -1.833 -2.900 1.00 0.00 H new ATOM 884 N LYS A 100 7.560 -5.520 -0.421 1.00 0.00 N ATOM 885 CA LYS A 100 7.885 -6.383 -1.568 1.00 0.00 C ATOM 886 C LYS A 100 6.594 -6.927 -2.237 1.00 0.00 C ATOM 887 O LYS A 100 5.511 -6.816 -1.659 1.00 0.00 O ATOM 888 CB LYS A 100 8.797 -7.553 -1.086 1.00 0.00 C ATOM 889 CG LYS A 100 8.237 -8.358 0.116 1.00 0.00 C ATOM 890 CD LYS A 100 8.933 -9.723 0.307 1.00 0.00 C ATOM 891 CE LYS A 100 8.633 -10.692 -0.850 1.00 0.00 C ATOM 892 NZ LYS A 100 9.376 -11.966 -0.726 1.00 0.00 N ATOM 0 H LYS A 100 6.645 -5.710 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 100 8.418 -5.797 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.959 -8.236 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.771 -7.147 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.351 -7.768 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.169 -8.519 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.010 -9.573 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.606 -10.168 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.563 -10.900 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.890 -10.215 -1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.141 -12.585 -1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.398 -11.773 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.112 -12.437 0.163 1.00 0.00 H new ATOM 906 N PRO A 101 6.673 -7.504 -3.485 1.00 0.00 N ATOM 907 CA PRO A 101 5.531 -8.220 -4.086 1.00 0.00 C ATOM 908 C PRO A 101 5.275 -9.564 -3.359 1.00 0.00 C ATOM 909 O PRO A 101 6.121 -10.469 -3.376 1.00 0.00 O ATOM 910 CB PRO A 101 5.964 -8.413 -5.567 1.00 0.00 C ATOM 911 CG PRO A 101 7.459 -8.419 -5.530 1.00 0.00 C ATOM 912 CD PRO A 101 7.840 -7.455 -4.426 1.00 0.00 C ATOM 0 HA PRO A 101 4.587 -7.681 -4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.575 -9.346 -5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.587 -7.608 -6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.843 -9.419 -5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.877 -8.105 -6.487 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.764 -7.757 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.000 -6.448 -4.812 1.00 0.00 H new ATOM 920 N GLY A 102 4.127 -9.660 -2.667 1.00 0.00 N ATOM 921 CA GLY A 102 3.710 -10.898 -2.002 1.00 0.00 C ATOM 922 C GLY A 102 3.603 -10.764 -0.490 1.00 0.00 C ATOM 923 O GLY A 102 3.129 -11.693 0.174 1.00 0.00 O ATOM 0 H GLY A 102 3.470 -8.888 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.745 -11.209 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.423 -11.688 -2.240 1.00 0.00 H new ATOM 927 N VAL A 103 4.050 -9.620 0.065 1.00 0.00 N ATOM 928 CA VAL A 103 3.990 -9.369 1.523 1.00 0.00 C ATOM 929 C VAL A 103 2.601 -8.849 1.959 1.00 0.00 C ATOM 930 O VAL A 103 1.959 -8.088 1.227 1.00 0.00 O ATOM 931 CB VAL A 103 5.099 -8.348 1.984 1.00 0.00 C ATOM 932 CG1 VAL A 103 4.889 -6.935 1.401 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.203 -8.291 3.515 1.00 0.00 C ATOM 0 H VAL A 103 4.457 -8.854 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 103 4.172 -10.329 2.006 1.00 0.00 H new ATOM 0 HB VAL A 103 6.042 -8.721 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.682 -6.275 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.913 -6.983 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.924 -6.547 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 103 5.976 -7.578 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.247 -7.976 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.460 -9.278 3.899 1.00 0.00 H new ATOM 943 N GLU A 104 2.142 -9.296 3.143 1.00 0.00 N ATOM 944 CA GLU A 104 0.964 -8.736 3.805 1.00 0.00 C ATOM 945 C GLU A 104 1.325 -7.373 4.412 1.00 0.00 C ATOM 946 O GLU A 104 2.129 -7.297 5.350 1.00 0.00 O ATOM 947 CB GLU A 104 0.438 -9.694 4.899 1.00 0.00 C ATOM 948 CG GLU A 104 -0.078 -11.033 4.353 1.00 0.00 C ATOM 949 CD GLU A 104 -0.639 -11.952 5.447 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.838 -11.820 5.787 1.00 0.00 O ATOM 951 OE2 GLU A 104 0.112 -12.791 5.987 1.00 0.00 O ATOM 0 H GLU A 104 2.582 -10.056 3.662 1.00 0.00 H new ATOM 0 HA GLU A 104 0.171 -8.606 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.237 -9.888 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.366 -9.201 5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.855 -10.842 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.734 -11.546 3.837 1.00 0.00 H new ATOM 958 N VAL A 105 0.758 -6.312 3.834 1.00 0.00 N ATOM 959 CA VAL A 105 0.932 -4.942 4.313 1.00 0.00 C ATOM 960 C VAL A 105 -0.336 -4.455 5.019 1.00 0.00 C ATOM 961 O VAL A 105 -1.453 -4.916 4.746 1.00 0.00 O ATOM 962 CB VAL A 105 1.308 -3.944 3.157 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.700 -4.263 2.572 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.224 -3.916 2.045 1.00 0.00 C ATOM 0 H VAL A 105 0.159 -6.382 3.011 1.00 0.00 H new ATOM 0 HA VAL A 105 1.763 -4.960 5.018 1.00 0.00 H new ATOM 0 HB VAL A 105 1.350 -2.946 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.931 -3.556 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.452 -4.183 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.702 -5.276 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.521 -3.215 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.117 -4.912 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.728 -3.601 2.473 1.00 0.00 H new ATOM 974 N ILE A 106 -0.127 -3.513 5.931 1.00 0.00 N ATOM 975 CA ILE A 106 -1.169 -2.869 6.708 1.00 0.00 C ATOM 976 C ILE A 106 -1.053 -1.364 6.425 1.00 0.00 C ATOM 977 O ILE A 106 -0.106 -0.712 6.887 1.00 0.00 O ATOM 978 CB ILE A 106 -0.977 -3.183 8.244 1.00 0.00 C ATOM 979 CG1 ILE A 106 -0.960 -4.728 8.510 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.052 -2.499 9.102 1.00 0.00 C ATOM 981 CD1 ILE A 106 -0.832 -5.123 9.973 1.00 0.00 C ATOM 0 H ILE A 106 0.806 -3.167 6.155 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.159 -3.234 6.435 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.009 -2.775 8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.877 -5.161 8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.131 -5.169 7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.886 -2.739 10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.996 -1.419 8.963 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.038 -2.853 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.829 -6.210 10.058 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.099 -4.725 10.377 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.674 -4.718 10.534 1.00 0.00 H new ATOM 993 N ILE A 107 -1.990 -0.837 5.623 1.00 0.00 N ATOM 994 CA ILE A 107 -1.973 0.574 5.168 1.00 0.00 C ATOM 995 C ILE A 107 -2.966 1.409 5.989 1.00 0.00 C ATOM 996 O ILE A 107 -3.950 0.882 6.528 1.00 0.00 O ATOM 997 CB ILE A 107 -2.303 0.708 3.629 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.753 0.224 3.309 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.268 -0.064 2.775 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.191 0.407 1.868 1.00 0.00 C ATOM 0 H ILE A 107 -2.783 -1.371 5.268 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.962 0.951 5.323 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.243 1.765 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.831 -0.833 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.449 0.760 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.516 0.043 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.272 0.340 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.286 -1.119 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.211 0.041 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.152 1.465 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.525 -0.153 1.211 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.688 2.707 6.078 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.481 3.662 6.854 1.00 0.00 C ATOM 1014 C GLU A 108 -3.572 4.958 6.057 1.00 0.00 C ATOM 1015 O GLU A 108 -2.538 5.512 5.700 1.00 0.00 O ATOM 1016 CB GLU A 108 -2.782 3.923 8.208 1.00 0.00 C ATOM 1017 CG GLU A 108 -3.504 4.904 9.137 1.00 0.00 C ATOM 1018 CD GLU A 108 -2.694 5.224 10.403 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -2.815 4.497 11.405 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -1.928 6.210 10.397 1.00 0.00 O ATOM 0 H GLU A 108 -1.892 3.134 5.605 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.480 3.270 7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.667 2.972 8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.779 4.303 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.706 5.829 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.468 4.485 9.424 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.790 5.418 5.769 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.997 6.661 5.033 1.00 0.00 C ATOM 1029 C GLY A 109 -6.461 6.847 4.719 1.00 0.00 C ATOM 1030 O GLY A 109 -7.278 6.867 5.638 1.00 0.00 O ATOM 0 H GLY A 109 -5.652 4.943 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.634 7.504 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.419 6.645 4.109 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.806 6.955 3.433 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.200 7.081 3.023 1.00 0.00 C ATOM 1036 C GLY A 110 -8.377 6.941 1.526 1.00 0.00 C ATOM 1037 O GLY A 110 -7.399 6.993 0.764 1.00 0.00 O ATOM 0 H GLY A 110 -6.138 6.957 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.795 6.320 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.583 8.050 3.342 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.632 6.769 1.110 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.023 6.693 -0.301 1.00 0.00 C ATOM 1043 C LEU A 111 -11.316 7.497 -0.488 1.00 0.00 C ATOM 1044 O LEU A 111 -12.243 7.389 0.320 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.224 5.209 -0.722 1.00 0.00 C ATOM 1046 CG LEU A 111 -10.699 4.946 -2.191 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -9.700 5.514 -3.213 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -10.947 3.437 -2.429 1.00 0.00 C ATOM 0 H LEU A 111 -10.419 6.677 1.753 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.240 7.112 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.281 4.683 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.951 4.760 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.645 5.468 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.059 5.315 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.603 6.590 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.728 5.040 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.276 3.280 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.023 2.885 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.716 3.082 -1.743 1.00 0.00 H new ATOM 1060 N ALA A 112 -11.343 8.312 -1.543 1.00 0.00 N ATOM 1061 CA ALA A 112 -12.513 9.135 -1.880 1.00 0.00 C ATOM 1062 C ALA A 112 -13.461 8.304 -2.767 1.00 0.00 C ATOM 1063 O ALA A 112 -12.985 7.686 -3.717 1.00 0.00 O ATOM 1064 CB ALA A 112 -12.082 10.441 -2.575 1.00 0.00 C ATOM 0 H ALA A 112 -10.560 8.423 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.039 9.422 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.965 11.034 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -11.433 11.010 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.543 10.204 -3.493 1.00 0.00 H new ATOM 1070 N PRO A 113 -14.801 8.215 -2.445 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.802 7.529 -3.317 1.00 0.00 C ATOM 1072 C PRO A 113 -15.903 8.192 -4.713 1.00 0.00 C ATOM 1073 O PRO A 113 -16.692 9.120 -4.925 1.00 0.00 O ATOM 1074 CB PRO A 113 -17.135 7.628 -2.508 1.00 0.00 C ATOM 1075 CG PRO A 113 -16.693 7.870 -1.094 1.00 0.00 C ATOM 1076 CD PRO A 113 -15.445 8.722 -1.200 1.00 0.00 C ATOM 0 HA PRO A 113 -15.532 6.496 -3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.763 8.441 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.720 6.712 -2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.469 8.380 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -16.485 6.931 -0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.685 9.783 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.798 8.600 -0.332 1.00 0.00 H new ATOM 1084 N GLY A 114 -15.048 7.728 -5.637 1.00 0.00 N ATOM 1085 CA GLY A 114 -14.871 8.345 -6.959 1.00 0.00 C ATOM 1086 C GLY A 114 -13.421 8.247 -7.396 1.00 0.00 C ATOM 1087 O GLY A 114 -13.121 8.054 -8.575 1.00 0.00 O ATOM 0 H GLY A 114 -14.457 6.910 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.512 7.849 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.178 9.390 -6.924 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.516 8.390 -6.412 1.00 0.00 N ATOM 1092 CA GLU A 115 -11.066 8.203 -6.588 1.00 0.00 C ATOM 1093 C GLU A 115 -10.730 6.721 -6.793 1.00 0.00 C ATOM 1094 O GLU A 115 -11.403 5.830 -6.256 1.00 0.00 O ATOM 1095 CB GLU A 115 -10.312 8.753 -5.351 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.773 8.650 -5.380 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.107 9.296 -4.144 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -8.458 8.921 -2.996 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -7.251 10.189 -4.313 1.00 0.00 O ATOM 0 H GLU A 115 -12.776 8.642 -5.458 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.750 8.751 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.581 9.802 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.673 8.224 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.485 7.600 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.398 9.132 -6.283 1.00 0.00 H new ATOM 1106 N ASP A 116 -9.684 6.475 -7.578 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.225 5.130 -7.921 1.00 0.00 C ATOM 1108 C ASP A 116 -8.262 4.583 -6.869 1.00 0.00 C ATOM 1109 O ASP A 116 -8.388 3.427 -6.444 1.00 0.00 O ATOM 1110 CB ASP A 116 -8.544 5.164 -9.308 1.00 0.00 C ATOM 1111 CG ASP A 116 -8.032 3.789 -9.763 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -8.867 2.949 -10.141 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -6.807 3.543 -9.739 1.00 0.00 O ATOM 0 H ASP A 116 -9.123 7.215 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.088 4.465 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.253 5.543 -10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.709 5.864 -9.279 1.00 0.00 H new ATOM 1118 N THR A 117 -7.310 5.420 -6.443 1.00 0.00 N ATOM 1119 CA THR A 117 -6.136 4.966 -5.687 1.00 0.00 C ATOM 1120 C THR A 117 -6.213 5.426 -4.219 1.00 0.00 C ATOM 1121 O THR A 117 -6.494 6.588 -3.931 1.00 0.00 O ATOM 1122 CB THR A 117 -4.798 5.425 -6.370 1.00 0.00 C ATOM 1123 OG1 THR A 117 -3.662 4.880 -5.678 1.00 0.00 O ATOM 1124 CG2 THR A 117 -4.655 6.955 -6.463 1.00 0.00 C ATOM 0 H THR A 117 -7.330 6.426 -6.611 1.00 0.00 H new ATOM 0 HA THR A 117 -6.139 3.876 -5.691 1.00 0.00 H new ATOM 0 HB THR A 117 -4.835 5.041 -7.389 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.881 4.895 -6.269 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.709 7.203 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.479 7.362 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.676 7.384 -5.461 1.00 0.00 H new ATOM 1132 N PHE A 118 -5.968 4.480 -3.303 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.044 4.701 -1.857 1.00 0.00 C ATOM 1134 C PHE A 118 -4.787 5.461 -1.418 1.00 0.00 C ATOM 1135 O PHE A 118 -3.686 4.920 -1.502 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.143 3.325 -1.132 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.377 3.375 0.387 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.351 3.718 1.279 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.622 3.057 0.920 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -5.568 3.732 2.643 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -7.835 3.074 2.278 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.811 3.412 3.139 1.00 0.00 C ATOM 0 H PHE A 118 -5.708 3.526 -3.552 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.926 5.288 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -6.955 2.756 -1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.223 2.772 -1.319 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.376 3.975 0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.433 2.793 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -4.766 3.993 3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -8.808 2.822 2.673 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.986 3.425 4.205 1.00 0.00 H new ATOM 1152 N LYS A 119 -4.955 6.696 -0.936 1.00 0.00 N ATOM 1153 CA LYS A 119 -3.823 7.522 -0.501 1.00 0.00 C ATOM 1154 C LYS A 119 -3.443 7.132 0.935 1.00 0.00 C ATOM 1155 O LYS A 119 -4.089 7.563 1.902 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.148 9.025 -0.623 1.00 0.00 C ATOM 1157 CG LYS A 119 -4.492 9.485 -2.056 1.00 0.00 C ATOM 1158 CD LYS A 119 -4.549 11.024 -2.185 1.00 0.00 C ATOM 1159 CE LYS A 119 -5.623 11.674 -1.296 1.00 0.00 C ATOM 1160 NZ LYS A 119 -7.000 11.337 -1.735 1.00 0.00 N ATOM 0 H LYS A 119 -5.865 7.147 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.968 7.339 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.987 9.258 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.294 9.600 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.747 9.093 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.453 9.063 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.575 11.439 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.742 11.287 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.483 11.349 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.495 12.756 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.594 12.190 -1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.974 10.972 -2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.398 10.612 -1.104 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.437 6.249 1.045 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.943 5.728 2.322 1.00 0.00 C ATOM 1176 C ALA A 120 -0.937 6.713 2.943 1.00 0.00 C ATOM 1177 O ALA A 120 0.147 6.944 2.389 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.310 4.332 2.128 1.00 0.00 C ATOM 0 H ALA A 120 -1.940 5.875 0.237 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.783 5.621 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.948 3.960 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.058 3.645 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.477 4.404 1.429 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.350 7.320 4.069 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.484 8.129 4.944 1.00 0.00 C ATOM 1186 C ARG A 121 0.684 7.273 5.487 1.00 0.00 C ATOM 1187 O ARG A 121 1.834 7.722 5.530 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.328 8.703 6.136 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.495 9.349 7.276 1.00 0.00 C ATOM 1190 CD ARG A 121 -1.350 9.975 8.402 1.00 0.00 C ATOM 1191 NE ARG A 121 -2.170 8.988 9.152 1.00 0.00 N ATOM 1192 CZ ARG A 121 -3.362 9.247 9.732 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -3.987 10.388 9.518 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -3.937 8.341 10.504 1.00 0.00 N ATOM 0 H ARG A 121 -2.312 7.261 4.402 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.069 8.954 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.021 9.448 5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.930 7.897 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.159 8.592 7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.148 10.120 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.692 10.492 9.100 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.010 10.727 7.969 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.803 8.040 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.571 11.091 8.907 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.887 10.568 9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.480 7.443 10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.837 8.540 10.940 1.00 0.00 H new ATOM 1208 N THR A 122 0.361 6.021 5.855 1.00 0.00 N ATOM 1209 CA THR A 122 1.260 5.150 6.626 1.00 0.00 C ATOM 1210 C THR A 122 1.267 3.730 6.016 1.00 0.00 C ATOM 1211 O THR A 122 0.264 3.287 5.439 1.00 0.00 O ATOM 1212 CB THR A 122 0.803 5.095 8.134 1.00 0.00 C ATOM 1213 OG1 THR A 122 0.303 6.379 8.539 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.946 4.720 9.084 1.00 0.00 C ATOM 0 H THR A 122 -0.532 5.586 5.625 1.00 0.00 H new ATOM 0 HA THR A 122 2.270 5.557 6.584 1.00 0.00 H new ATOM 0 HB THR A 122 0.032 4.327 8.195 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.455 6.258 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.575 4.697 10.109 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.334 3.737 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.743 5.459 9.003 1.00 0.00 H new ATOM 1222 N LEU A 123 2.411 3.042 6.145 1.00 0.00 N ATOM 1223 CA LEU A 123 2.611 1.667 5.657 1.00 0.00 C ATOM 1224 C LEU A 123 3.368 0.870 6.723 1.00 0.00 C ATOM 1225 O LEU A 123 4.286 1.401 7.365 1.00 0.00 O ATOM 1226 CB LEU A 123 3.412 1.683 4.327 1.00 0.00 C ATOM 1227 CG LEU A 123 3.670 0.304 3.628 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.347 -0.361 3.201 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.637 0.456 2.429 1.00 0.00 C ATOM 0 H LEU A 123 3.238 3.431 6.599 1.00 0.00 H new ATOM 0 HA LEU A 123 1.645 1.199 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.883 2.325 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.378 2.149 4.520 1.00 0.00 H new ATOM 0 HG LEU A 123 4.148 -0.352 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.559 -1.316 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.724 -0.528 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.822 0.290 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.797 -0.517 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.206 1.140 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.591 0.852 2.779 1.00 0.00 H new ATOM 1241 N MET A 124 2.969 -0.396 6.907 1.00 0.00 N ATOM 1242 CA MET A 124 3.607 -1.313 7.865 1.00 0.00 C ATOM 1243 C MET A 124 3.426 -2.762 7.392 1.00 0.00 C ATOM 1244 O MET A 124 2.305 -3.280 7.384 1.00 0.00 O ATOM 1245 CB MET A 124 2.992 -1.120 9.281 1.00 0.00 C ATOM 1246 CG MET A 124 3.595 -2.013 10.378 1.00 0.00 C ATOM 1247 SD MET A 124 2.817 -1.761 11.990 1.00 0.00 S ATOM 1248 CE MET A 124 1.113 -2.216 11.653 1.00 0.00 C ATOM 0 H MET A 124 2.193 -0.815 6.395 1.00 0.00 H new ATOM 0 HA MET A 124 4.673 -1.091 7.920 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.114 -0.077 9.575 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.921 -1.312 9.225 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.490 -3.058 10.088 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.663 -1.811 10.459 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.753 -2.883 12.436 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.495 -1.319 11.628 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.055 -2.723 10.690 1.00 0.00 H new ATOM 1258 N THR A 125 4.531 -3.415 6.994 1.00 0.00 N ATOM 1259 CA THR A 125 4.529 -4.833 6.621 1.00 0.00 C ATOM 1260 C THR A 125 4.386 -5.677 7.899 1.00 0.00 C ATOM 1261 O THR A 125 5.178 -5.519 8.839 1.00 0.00 O ATOM 1262 CB THR A 125 5.841 -5.216 5.850 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.999 -4.884 6.637 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.934 -4.491 4.495 1.00 0.00 C ATOM 0 H THR A 125 5.447 -2.972 6.923 1.00 0.00 H new ATOM 0 HA THR A 125 3.691 -5.029 5.952 1.00 0.00 H new ATOM 0 HB THR A 125 5.808 -6.291 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.823 -5.086 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.855 -4.781 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.079 -4.765 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.933 -3.413 4.658 1.00 0.00 H new ATOM 1272 N LYS A 126 3.365 -6.548 7.941 1.00 0.00 N ATOM 1273 CA LYS A 126 3.091 -7.387 9.118 1.00 0.00 C ATOM 1274 C LYS A 126 4.010 -8.610 9.085 1.00 0.00 C ATOM 1275 O LYS A 126 4.430 -9.116 10.127 1.00 0.00 O ATOM 1276 CB LYS A 126 1.600 -7.823 9.163 1.00 0.00 C ATOM 1277 CG LYS A 126 1.153 -8.657 10.406 1.00 0.00 C ATOM 1278 CD LYS A 126 1.067 -7.867 11.749 1.00 0.00 C ATOM 1279 CE LYS A 126 2.417 -7.657 12.466 1.00 0.00 C ATOM 1280 NZ LYS A 126 3.129 -8.944 12.733 1.00 0.00 N ATOM 0 H LYS A 126 2.713 -6.690 7.169 1.00 0.00 H new ATOM 0 HA LYS A 126 3.287 -6.807 10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.981 -6.927 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.388 -8.407 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.176 -9.092 10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.850 -9.485 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 126 0.621 -6.892 11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 126 0.393 -8.396 12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 126 3.052 -7.014 11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.247 -7.137 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 3.770 -8.824 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 2.434 -9.687 12.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.679 -9.217 11.894 1.00 0.00 H new