USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 408 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 12 LYS NZ :NH3+ -169:sc= 1.87 (180deg=1.13) USER MOD Set 1.2: A 63 SER OG : rot 160:sc= 0.206 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0094 USER MOD Single : A 27 SER OG : rot -57:sc= 1.02 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 30:sc= -0.0865 USER MOD Single : A 36 SER OG : rot 8:sc= 0.303 USER MOD Single : A 37 HIS : no HD1:sc= -1.68! X(o=-1.7!,f=-1.7) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00845 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0186 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.821) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -7.928 7.539 10.401 1.00 0.00 N ATOM 133 CA LYS A 12 -6.541 7.795 10.033 1.00 0.00 C ATOM 134 C LYS A 12 -6.388 7.895 8.519 1.00 0.00 C ATOM 135 O LYS A 12 -5.585 8.681 8.016 1.00 0.00 O ATOM 136 CB LYS A 12 -5.635 6.687 10.576 1.00 0.00 C ATOM 137 CG LYS A 12 -4.227 7.155 10.896 1.00 0.00 C ATOM 138 CD LYS A 12 -3.446 7.482 9.634 1.00 0.00 C ATOM 139 CE LYS A 12 -1.951 7.547 9.904 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.155 7.440 8.650 1.00 0.00 N ATOM 0 HA LYS A 12 -6.245 8.747 10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.084 6.271 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.583 5.880 9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.272 8.037 11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.704 6.381 11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.647 6.726 8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.786 8.436 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.713 8.485 10.406 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.669 6.742 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.152 7.301 8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.494 6.631 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.262 8.313 8.095 1.00 0.00 H new ATOM 154 N PHE A 13 -7.166 7.094 7.796 1.00 0.00 N ATOM 155 CA PHE A 13 -7.117 7.093 6.339 1.00 0.00 C ATOM 156 C PHE A 13 -8.511 7.282 5.748 1.00 0.00 C ATOM 157 O PHE A 13 -9.420 6.495 6.011 1.00 0.00 O ATOM 158 CB PHE A 13 -6.507 5.786 5.829 1.00 0.00 C ATOM 159 CG PHE A 13 -5.221 5.418 6.512 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.025 6.002 6.127 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.209 4.488 7.539 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.840 5.664 6.753 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.027 4.147 8.170 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.841 4.736 7.777 1.00 0.00 C ATOM 0 H PHE A 13 -7.837 6.438 8.196 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.491 7.926 6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.227 4.980 5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.328 5.872 4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.019 6.729 5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.133 4.024 7.850 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.914 6.125 6.442 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.031 3.421 8.969 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.917 4.472 8.269 1.00 0.00 H new ATOM 174 N ALA A 14 -8.672 8.331 4.949 1.00 0.00 N ATOM 175 CA ALA A 14 -9.953 8.623 4.319 1.00 0.00 C ATOM 176 C ALA A 14 -10.353 7.517 3.349 1.00 0.00 C ATOM 177 O ALA A 14 -9.527 7.023 2.582 1.00 0.00 O ATOM 178 CB ALA A 14 -9.895 9.963 3.600 1.00 0.00 C ATOM 0 H ALA A 14 -7.930 8.993 4.722 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.710 8.675 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.859 10.168 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.664 10.751 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.121 9.931 2.833 1.00 0.00 H new ATOM 184 N ASP A 15 -11.624 7.133 3.389 1.00 0.00 N ATOM 185 CA ASP A 15 -12.134 6.084 2.512 1.00 0.00 C ATOM 186 C ASP A 15 -11.780 6.374 1.057 1.00 0.00 C ATOM 187 O ASP A 15 -12.014 7.474 0.558 1.00 0.00 O ATOM 188 CB ASP A 15 -13.650 5.954 2.666 1.00 0.00 C ATOM 189 CG ASP A 15 -14.040 5.131 3.878 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.322 5.198 4.897 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.064 4.420 3.807 1.00 0.00 O ATOM 0 H ASP A 15 -12.320 7.532 4.019 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.666 5.143 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.091 6.948 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.065 5.494 1.769 1.00 0.00 H new ATOM 196 N GLY A 16 -11.215 5.378 0.381 1.00 0.00 N ATOM 197 CA GLY A 16 -10.837 5.546 -1.010 1.00 0.00 C ATOM 198 C GLY A 16 -9.454 6.145 -1.167 1.00 0.00 C ATOM 199 O GLY A 16 -8.825 6.003 -2.215 1.00 0.00 O ATOM 0 H GLY A 16 -11.012 4.458 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.870 4.579 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.566 6.187 -1.506 1.00 0.00 H new ATOM 203 N GLU A 17 -8.980 6.819 -0.123 1.00 0.00 N ATOM 204 CA GLU A 17 -7.663 7.444 -0.152 1.00 0.00 C ATOM 205 C GLU A 17 -6.589 6.432 -0.540 1.00 0.00 C ATOM 206 O GLU A 17 -6.672 5.255 -0.186 1.00 0.00 O ATOM 207 CB GLU A 17 -7.335 8.056 1.211 1.00 0.00 C ATOM 208 CG GLU A 17 -6.241 9.110 1.158 1.00 0.00 C ATOM 209 CD GLU A 17 -6.762 10.469 0.731 1.00 0.00 C ATOM 210 OE1 GLU A 17 -7.178 11.249 1.612 1.00 0.00 O ATOM 211 OE2 GLU A 17 -6.752 10.752 -0.486 1.00 0.00 O ATOM 0 H GLU A 17 -9.488 6.946 0.752 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.680 8.234 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.238 8.503 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.030 7.262 1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.776 9.195 2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.464 8.788 0.464 1.00 0.00 H new ATOM 218 N VAL A 18 -5.580 6.898 -1.269 1.00 0.00 N ATOM 219 CA VAL A 18 -4.489 6.035 -1.705 1.00 0.00 C ATOM 220 C VAL A 18 -3.289 6.153 -0.773 1.00 0.00 C ATOM 221 O VAL A 18 -2.528 7.119 -0.842 1.00 0.00 O ATOM 222 CB VAL A 18 -4.045 6.372 -3.141 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.938 5.432 -3.592 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.230 6.310 -4.093 1.00 0.00 C ATOM 0 H VAL A 18 -5.496 7.869 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.866 5.012 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.652 7.389 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.637 5.685 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.082 5.532 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.300 4.404 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.898 6.551 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.655 5.306 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.987 7.028 -3.779 1.00 0.00 H new ATOM 234 N VAL A 19 -3.124 5.164 0.100 1.00 0.00 N ATOM 235 CA VAL A 19 -2.014 5.156 1.046 1.00 0.00 C ATOM 236 C VAL A 19 -1.101 3.959 0.812 1.00 0.00 C ATOM 237 O VAL A 19 -1.328 3.160 -0.097 1.00 0.00 O ATOM 238 CB VAL A 19 -2.518 5.127 2.501 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.367 6.354 2.798 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.301 3.850 2.768 1.00 0.00 C ATOM 0 H VAL A 19 -3.745 4.358 0.172 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.451 6.075 0.882 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.655 5.143 3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.714 6.315 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.770 7.254 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.226 6.373 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.650 3.846 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.158 3.801 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.657 2.987 2.599 1.00 0.00 H new ATOM 250 N ARG A 20 -0.066 3.840 1.638 1.00 0.00 N ATOM 251 CA ARG A 20 0.883 2.739 1.521 1.00 0.00 C ATOM 252 C ARG A 20 0.678 1.723 2.640 1.00 0.00 C ATOM 253 O ARG A 20 0.690 2.073 3.820 1.00 0.00 O ATOM 254 CB ARG A 20 2.317 3.270 1.554 1.00 0.00 C ATOM 255 CG ARG A 20 2.574 4.396 0.567 1.00 0.00 C ATOM 256 CD ARG A 20 4.023 4.417 0.109 1.00 0.00 C ATOM 257 NE ARG A 20 4.381 5.685 -0.521 1.00 0.00 N ATOM 258 CZ ARG A 20 5.433 5.840 -1.316 1.00 0.00 C ATOM 259 NH1 ARG A 20 6.228 4.811 -1.578 1.00 0.00 N ATOM 260 NH2 ARG A 20 5.693 7.026 -1.852 1.00 0.00 N ATOM 0 H ARG A 20 0.136 4.493 2.395 1.00 0.00 H new ATOM 0 HA ARG A 20 0.709 2.241 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.541 3.623 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.004 2.450 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.920 4.280 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.324 5.351 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.676 4.240 0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.192 3.602 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 20 3.790 6.496 -0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.032 3.898 -1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.035 4.933 -2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.084 7.820 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.502 7.144 -2.463 1.00 0.00 H new ATOM 274 N GLY A 21 0.490 0.462 2.261 1.00 0.00 N ATOM 275 CA GLY A 21 0.285 -0.585 3.245 1.00 0.00 C ATOM 276 C GLY A 21 1.426 -1.583 3.276 1.00 0.00 C ATOM 277 O GLY A 21 1.970 -1.947 2.233 1.00 0.00 O ATOM 0 H GLY A 21 0.476 0.147 1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.173 -0.135 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.646 -1.108 3.026 1.00 0.00 H new ATOM 281 N ARG A 22 1.791 -2.024 4.475 1.00 0.00 N ATOM 282 CA ARG A 22 2.877 -2.984 4.638 1.00 0.00 C ATOM 283 C ARG A 22 2.381 -4.409 4.413 1.00 0.00 C ATOM 284 O ARG A 22 1.750 -5.002 5.287 1.00 0.00 O ATOM 285 CB ARG A 22 3.490 -2.860 6.034 1.00 0.00 C ATOM 286 CG ARG A 22 4.747 -3.693 6.222 1.00 0.00 C ATOM 287 CD ARG A 22 5.448 -3.357 7.530 1.00 0.00 C ATOM 288 NE ARG A 22 6.532 -4.289 7.826 1.00 0.00 N ATOM 289 CZ ARG A 22 7.532 -4.014 8.655 1.00 0.00 C ATOM 290 NH1 ARG A 22 7.586 -2.839 9.267 1.00 0.00 N ATOM 291 NH2 ARG A 22 8.482 -4.914 8.873 1.00 0.00 N ATOM 0 H ARG A 22 1.351 -1.732 5.348 1.00 0.00 H new ATOM 0 HA ARG A 22 3.640 -2.762 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.725 -1.813 6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.750 -3.162 6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.489 -4.752 6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.428 -3.520 5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.846 -2.343 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.723 -3.374 8.344 1.00 0.00 H new ATOM 0 HE ARG A 22 6.521 -5.202 7.371 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.858 -2.144 9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.355 -2.630 9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.445 -5.819 8.403 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.250 -4.701 9.510 1.00 0.00 H new ATOM 305 N TRP A 23 2.671 -4.952 3.236 1.00 0.00 N ATOM 306 CA TRP A 23 2.254 -6.308 2.896 1.00 0.00 C ATOM 307 C TRP A 23 2.786 -7.312 3.913 1.00 0.00 C ATOM 308 O TRP A 23 3.922 -7.216 4.380 1.00 0.00 O ATOM 309 CB TRP A 23 2.740 -6.676 1.494 1.00 0.00 C ATOM 310 CG TRP A 23 2.275 -8.027 1.040 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.771 -9.238 1.429 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.223 -8.302 0.109 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.091 -10.250 0.796 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.135 -9.703 -0.018 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.344 -7.503 -0.627 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.205 -10.317 -0.852 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.578 -8.115 -1.455 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.642 -9.510 -1.562 1.00 0.00 C ATOM 0 H TRP A 23 3.193 -4.475 2.501 1.00 0.00 H new ATOM 0 HA TRP A 23 1.165 -6.343 2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.391 -5.923 0.787 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.830 -6.650 1.476 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.579 -9.380 2.131 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.269 -11.247 0.913 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.384 -6.426 -0.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.154 -11.393 -0.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.261 -7.507 -2.030 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.374 -9.958 -2.218 1.00 0.00 H new ATOM 329 N PRO A 24 1.950 -8.299 4.265 1.00 0.00 N ATOM 330 CA PRO A 24 2.316 -9.341 5.229 1.00 0.00 C ATOM 331 C PRO A 24 3.368 -10.297 4.679 1.00 0.00 C ATOM 332 O PRO A 24 3.094 -11.083 3.773 1.00 0.00 O ATOM 333 CB PRO A 24 0.997 -10.079 5.472 1.00 0.00 C ATOM 334 CG PRO A 24 0.199 -9.845 4.235 1.00 0.00 C ATOM 335 CD PRO A 24 0.582 -8.475 3.748 1.00 0.00 C ATOM 0 HA PRO A 24 2.759 -8.922 6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.164 -11.143 5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.484 -9.693 6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.416 -10.602 3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.869 -9.900 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.552 -8.412 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.093 -7.709 4.130 1.00 0.00 H new ATOM 343 N GLY A 25 4.575 -10.224 5.233 1.00 0.00 N ATOM 344 CA GLY A 25 5.650 -11.089 4.784 1.00 0.00 C ATOM 345 C GLY A 25 6.670 -10.354 3.936 1.00 0.00 C ATOM 346 O GLY A 25 7.869 -10.616 4.029 1.00 0.00 O ATOM 0 H GLY A 25 4.827 -9.582 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.148 -11.524 5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.231 -11.915 4.209 1.00 0.00 H new ATOM 350 N SER A 26 6.193 -9.433 3.105 1.00 0.00 N ATOM 351 CA SER A 26 7.071 -8.662 2.233 1.00 0.00 C ATOM 352 C SER A 26 7.769 -7.550 3.010 1.00 0.00 C ATOM 353 O SER A 26 8.877 -7.139 2.666 1.00 0.00 O ATOM 354 CB SER A 26 6.274 -8.065 1.071 1.00 0.00 C ATOM 355 OG SER A 26 7.088 -7.907 -0.078 1.00 0.00 O ATOM 0 H SER A 26 5.203 -9.203 3.017 1.00 0.00 H new ATOM 0 HA SER A 26 7.830 -9.336 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.429 -8.712 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.864 -7.099 1.366 1.00 0.00 H new ATOM 0 HG SER A 26 6.555 -7.525 -0.807 1.00 0.00 H new ATOM 361 N SER A 27 7.112 -7.068 4.060 1.00 0.00 N ATOM 362 CA SER A 27 7.667 -6.001 4.885 1.00 0.00 C ATOM 363 C SER A 27 8.000 -4.777 4.038 1.00 0.00 C ATOM 364 O SER A 27 8.938 -4.037 4.337 1.00 0.00 O ATOM 365 CB SER A 27 8.922 -6.490 5.611 1.00 0.00 C ATOM 366 OG SER A 27 10.056 -6.433 4.764 1.00 0.00 O ATOM 0 H SER A 27 6.195 -7.399 4.360 1.00 0.00 H new ATOM 0 HA SER A 27 6.916 -5.717 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.095 -5.879 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.772 -7.514 5.954 1.00 0.00 H new ATOM 0 HG SER A 27 9.887 -6.960 3.955 1.00 0.00 H new ATOM 372 N LEU A 28 7.225 -4.570 2.979 1.00 0.00 N ATOM 373 CA LEU A 28 7.436 -3.435 2.087 1.00 0.00 C ATOM 374 C LEU A 28 6.142 -2.652 1.887 1.00 0.00 C ATOM 375 O LEU A 28 5.073 -3.235 1.708 1.00 0.00 O ATOM 376 CB LEU A 28 7.969 -3.915 0.736 1.00 0.00 C ATOM 377 CG LEU A 28 9.341 -4.589 0.757 1.00 0.00 C ATOM 378 CD1 LEU A 28 9.576 -5.362 -0.531 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.439 -3.556 0.970 1.00 0.00 C ATOM 0 H LEU A 28 6.445 -5.173 2.717 1.00 0.00 H new ATOM 0 HA LEU A 28 8.171 -2.775 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.249 -4.615 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.017 -3.060 0.062 1.00 0.00 H new ATOM 0 HG LEU A 28 9.366 -5.293 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.558 -5.835 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.808 -6.128 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.531 -4.678 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.409 -4.053 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.415 -2.827 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.280 -3.047 1.921 1.00 0.00 H new ATOM 391 N TYR A 29 6.248 -1.328 1.917 1.00 0.00 N ATOM 392 CA TYR A 29 5.086 -0.464 1.739 1.00 0.00 C ATOM 393 C TYR A 29 4.819 -0.209 0.259 1.00 0.00 C ATOM 394 O TYR A 29 5.639 0.388 -0.439 1.00 0.00 O ATOM 395 CB TYR A 29 5.296 0.864 2.467 1.00 0.00 C ATOM 396 CG TYR A 29 5.613 0.706 3.937 1.00 0.00 C ATOM 397 CD1 TYR A 29 4.596 0.594 4.878 1.00 0.00 C ATOM 398 CD2 TYR A 29 6.927 0.670 4.385 1.00 0.00 C ATOM 399 CE1 TYR A 29 4.880 0.450 6.222 1.00 0.00 C ATOM 400 CE2 TYR A 29 7.220 0.525 5.727 1.00 0.00 C ATOM 401 CZ TYR A 29 6.194 0.415 6.642 1.00 0.00 C ATOM 402 OH TYR A 29 6.482 0.272 7.980 1.00 0.00 O ATOM 0 H TYR A 29 7.126 -0.830 2.063 1.00 0.00 H new ATOM 0 HA TYR A 29 4.219 -0.971 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.108 1.408 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.398 1.473 2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.566 0.620 4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.733 0.757 3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.078 0.365 6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.248 0.498 6.058 1.00 0.00 H new ATOM 0 HH TYR A 29 7.454 0.265 8.107 1.00 0.00 H new ATOM 412 N TYR A 30 3.664 -0.666 -0.214 1.00 0.00 N ATOM 413 CA TYR A 30 3.287 -0.490 -1.612 1.00 0.00 C ATOM 414 C TYR A 30 2.059 0.407 -1.736 1.00 0.00 C ATOM 415 O TYR A 30 1.269 0.527 -0.800 1.00 0.00 O ATOM 416 CB TYR A 30 3.010 -1.846 -2.262 1.00 0.00 C ATOM 417 CG TYR A 30 4.249 -2.693 -2.446 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.127 -2.456 -3.497 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.541 -3.732 -1.571 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.259 -3.227 -3.671 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.672 -4.508 -1.736 1.00 0.00 C ATOM 422 CZ TYR A 30 6.528 -4.252 -2.787 1.00 0.00 C ATOM 423 OH TYR A 30 7.655 -5.024 -2.955 1.00 0.00 O ATOM 0 H TYR A 30 2.973 -1.161 0.350 1.00 0.00 H new ATOM 0 HA TYR A 30 4.118 -0.010 -2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.293 -2.393 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.542 -1.685 -3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.920 -1.654 -4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.872 -3.936 -0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.930 -3.029 -4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.885 -5.311 -1.046 1.00 0.00 H new ATOM 0 HH TYR A 30 8.359 -4.488 -3.377 1.00 0.00 H new ATOM 433 N GLU A 31 1.907 1.033 -2.899 1.00 0.00 N ATOM 434 CA GLU A 31 0.775 1.918 -3.146 1.00 0.00 C ATOM 435 C GLU A 31 -0.535 1.135 -3.168 1.00 0.00 C ATOM 436 O GLU A 31 -0.777 0.335 -4.071 1.00 0.00 O ATOM 437 CB GLU A 31 0.960 2.661 -4.471 1.00 0.00 C ATOM 438 CG GLU A 31 -0.157 3.644 -4.779 1.00 0.00 C ATOM 439 CD GLU A 31 -0.205 4.032 -6.244 1.00 0.00 C ATOM 440 OE1 GLU A 31 -0.014 3.142 -7.099 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.435 5.224 -6.535 1.00 0.00 O ATOM 0 H GLU A 31 2.553 0.944 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 31 0.730 2.643 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.908 3.198 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.025 1.933 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.112 3.204 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.024 4.541 -4.174 1.00 0.00 H new ATOM 448 N VAL A 32 -1.376 1.371 -2.166 1.00 0.00 N ATOM 449 CA VAL A 32 -2.661 0.689 -2.070 1.00 0.00 C ATOM 450 C VAL A 32 -3.786 1.675 -1.780 1.00 0.00 C ATOM 451 O VAL A 32 -3.543 2.793 -1.327 1.00 0.00 O ATOM 452 CB VAL A 32 -2.642 -0.390 -0.970 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.683 -1.512 -1.338 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.269 0.223 0.371 1.00 0.00 C ATOM 0 H VAL A 32 -1.190 2.029 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.840 0.212 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.643 -0.814 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.683 -2.264 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.000 -1.969 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.677 -1.108 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.260 -0.553 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.280 0.675 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.999 0.987 0.637 1.00 0.00 H new ATOM 464 N GLU A 33 -5.019 1.253 -2.045 1.00 0.00 N ATOM 465 CA GLU A 33 -6.182 2.100 -1.813 1.00 0.00 C ATOM 466 C GLU A 33 -6.961 1.632 -0.586 1.00 0.00 C ATOM 467 O GLU A 33 -6.892 0.463 -0.204 1.00 0.00 O ATOM 468 CB GLU A 33 -7.095 2.099 -3.041 1.00 0.00 C ATOM 469 CG GLU A 33 -8.542 2.438 -2.724 1.00 0.00 C ATOM 470 CD GLU A 33 -9.379 2.647 -3.971 1.00 0.00 C ATOM 471 OE1 GLU A 33 -9.146 1.932 -4.968 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.265 3.526 -3.951 1.00 0.00 O ATOM 0 H GLU A 33 -5.237 0.330 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.829 3.115 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.713 2.816 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.056 1.117 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.977 1.635 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.574 3.341 -2.114 1.00 0.00 H new ATOM 479 N ILE A 34 -7.699 2.552 0.025 1.00 0.00 N ATOM 480 CA ILE A 34 -8.490 2.233 1.208 1.00 0.00 C ATOM 481 C ILE A 34 -9.918 1.857 0.828 1.00 0.00 C ATOM 482 O ILE A 34 -10.665 2.675 0.290 1.00 0.00 O ATOM 483 CB ILE A 34 -8.527 3.414 2.195 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.110 3.780 2.641 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.395 3.073 3.397 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.543 2.840 3.682 1.00 0.00 C ATOM 0 H ILE A 34 -7.766 3.523 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.009 1.382 1.691 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.962 4.276 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.454 3.784 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.114 4.794 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.411 3.918 4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.410 2.857 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.987 2.199 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.536 3.160 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.177 2.853 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.506 1.829 3.277 1.00 0.00 H new ATOM 498 N LEU A 35 -10.292 0.615 1.114 1.00 0.00 N ATOM 499 CA LEU A 35 -11.633 0.129 0.804 1.00 0.00 C ATOM 500 C LEU A 35 -12.580 0.363 1.976 1.00 0.00 C ATOM 501 O LEU A 35 -13.611 1.020 1.833 1.00 0.00 O ATOM 502 CB LEU A 35 -11.590 -1.360 0.457 1.00 0.00 C ATOM 503 CG LEU A 35 -10.628 -1.761 -0.662 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.848 -3.212 -1.060 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.797 -0.844 -1.865 1.00 0.00 C ATOM 0 H LEU A 35 -9.686 -0.074 1.560 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.005 0.685 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.321 -1.914 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.595 -1.676 0.176 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.608 -1.658 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.155 -3.480 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.675 -3.856 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.872 -3.342 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.105 -1.144 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.820 -0.915 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.588 0.185 -1.571 1.00 0.00 H new ATOM 517 N SER A 36 -12.223 -0.179 3.136 1.00 0.00 N ATOM 518 CA SER A 36 -13.043 -0.031 4.334 1.00 0.00 C ATOM 519 C SER A 36 -12.182 -0.096 5.592 1.00 0.00 C ATOM 520 O SER A 36 -10.956 -0.182 5.516 1.00 0.00 O ATOM 521 CB SER A 36 -14.117 -1.119 4.380 1.00 0.00 C ATOM 522 OG SER A 36 -15.134 -0.873 3.425 1.00 0.00 O ATOM 0 H SER A 36 -11.372 -0.724 3.272 1.00 0.00 H new ATOM 0 HA SER A 36 -13.527 0.945 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.662 -2.091 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.554 -1.161 5.378 1.00 0.00 H new ATOM 0 HG SER A 36 -14.869 -0.125 2.850 1.00 0.00 H new ATOM 528 N HIS A 37 -12.834 -0.053 6.750 1.00 0.00 N ATOM 529 CA HIS A 37 -12.130 -0.107 8.026 1.00 0.00 C ATOM 530 C HIS A 37 -12.855 -1.024 9.007 1.00 0.00 C ATOM 531 O HIS A 37 -14.050 -0.863 9.255 1.00 0.00 O ATOM 532 CB HIS A 37 -12.000 1.295 8.621 1.00 0.00 C ATOM 533 CG HIS A 37 -11.899 1.305 10.115 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.951 0.585 10.810 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.633 1.956 11.048 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.107 0.790 12.106 1.00 0.00 C ATOM 537 NE2 HIS A 37 -12.121 1.619 12.277 1.00 0.00 N ATOM 0 H HIS A 37 -13.848 0.019 6.831 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.133 -0.510 7.847 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.117 1.778 8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.862 1.890 8.319 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.466 2.617 10.861 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.508 0.354 12.892 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.467 1.954 13.176 1.00 0.00 H new ATOM 546 N ASP A 38 -12.124 -1.984 9.562 1.00 0.00 N ATOM 547 CA ASP A 38 -12.696 -2.926 10.516 1.00 0.00 C ATOM 548 C ASP A 38 -12.365 -2.518 11.948 1.00 0.00 C ATOM 549 O ASP A 38 -11.378 -2.978 12.523 1.00 0.00 O ATOM 550 CB ASP A 38 -12.179 -4.340 10.243 1.00 0.00 C ATOM 551 CG ASP A 38 -13.159 -5.410 10.682 1.00 0.00 C ATOM 552 OD1 ASP A 38 -13.422 -5.511 11.899 1.00 0.00 O ATOM 553 OD2 ASP A 38 -13.664 -6.145 9.809 1.00 0.00 O ATOM 0 H ASP A 38 -11.133 -2.130 9.367 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.779 -2.914 10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.978 -4.451 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.232 -4.484 10.763 1.00 0.00 H new ATOM 558 N SER A 39 -13.196 -1.651 12.519 1.00 0.00 N ATOM 559 CA SER A 39 -12.988 -1.177 13.882 1.00 0.00 C ATOM 560 C SER A 39 -12.847 -2.348 14.849 1.00 0.00 C ATOM 561 O SER A 39 -12.026 -2.317 15.767 1.00 0.00 O ATOM 562 CB SER A 39 -14.150 -0.280 14.315 1.00 0.00 C ATOM 563 OG SER A 39 -15.373 -0.995 14.313 1.00 0.00 O ATOM 0 H SER A 39 -14.019 -1.263 12.059 1.00 0.00 H new ATOM 0 HA SER A 39 -12.064 -0.599 13.902 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.957 0.114 15.313 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.224 0.575 13.643 1.00 0.00 H new ATOM 0 HG SER A 39 -16.100 -0.401 14.595 1.00 0.00 H new ATOM 569 N THR A 40 -13.654 -3.383 14.637 1.00 0.00 N ATOM 570 CA THR A 40 -13.621 -4.565 15.489 1.00 0.00 C ATOM 571 C THR A 40 -12.189 -5.019 15.745 1.00 0.00 C ATOM 572 O THR A 40 -11.775 -5.182 16.893 1.00 0.00 O ATOM 573 CB THR A 40 -14.413 -5.730 14.865 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.681 -5.262 14.392 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.624 -6.845 15.879 1.00 0.00 C ATOM 0 H THR A 40 -14.339 -3.426 13.882 1.00 0.00 H new ATOM 0 HA THR A 40 -14.085 -4.285 16.435 1.00 0.00 H new ATOM 0 HB THR A 40 -13.837 -6.125 14.028 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.178 -6.008 13.995 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.185 -7.656 15.416 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.657 -7.219 16.215 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.181 -6.460 16.733 1.00 0.00 H new ATOM 583 N SER A 41 -11.436 -5.222 14.669 1.00 0.00 N ATOM 584 CA SER A 41 -10.049 -5.661 14.777 1.00 0.00 C ATOM 585 C SER A 41 -9.099 -4.597 14.235 1.00 0.00 C ATOM 586 O SER A 41 -7.965 -4.896 13.862 1.00 0.00 O ATOM 587 CB SER A 41 -9.848 -6.975 14.020 1.00 0.00 C ATOM 588 OG SER A 41 -10.118 -8.089 14.853 1.00 0.00 O ATOM 0 H SER A 41 -11.763 -5.090 13.712 1.00 0.00 H new ATOM 0 HA SER A 41 -9.824 -5.820 15.832 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.503 -7.001 13.149 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.824 -7.033 13.651 1.00 0.00 H new ATOM 0 HG SER A 41 -9.984 -8.917 14.346 1.00 0.00 H new ATOM 594 N GLN A 42 -9.572 -3.356 14.193 1.00 0.00 N ATOM 595 CA GLN A 42 -8.766 -2.248 13.696 1.00 0.00 C ATOM 596 C GLN A 42 -8.025 -2.642 12.422 1.00 0.00 C ATOM 597 O GLN A 42 -6.937 -2.137 12.142 1.00 0.00 O ATOM 598 CB GLN A 42 -7.766 -1.797 14.763 1.00 0.00 C ATOM 599 CG GLN A 42 -8.392 -0.965 15.870 1.00 0.00 C ATOM 600 CD GLN A 42 -9.437 -1.731 16.656 1.00 0.00 C ATOM 601 OE1 GLN A 42 -9.340 -2.948 16.820 1.00 0.00 O ATOM 602 NE2 GLN A 42 -10.446 -1.022 17.149 1.00 0.00 N ATOM 0 H GLN A 42 -10.509 -3.093 14.497 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.436 -1.420 13.464 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.295 -2.676 15.203 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.976 -1.217 14.286 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.610 -0.624 16.549 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.849 -0.075 15.437 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.488 -0.015 16.990 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.179 -1.484 17.687 1.00 0.00 H new ATOM 611 N LEU A 43 -8.620 -3.548 11.655 1.00 0.00 N ATOM 612 CA LEU A 43 -8.016 -4.012 10.410 1.00 0.00 C ATOM 613 C LEU A 43 -8.571 -3.242 9.216 1.00 0.00 C ATOM 614 O LEU A 43 -9.778 -3.242 8.971 1.00 0.00 O ATOM 615 CB LEU A 43 -8.265 -5.510 10.226 1.00 0.00 C ATOM 616 CG LEU A 43 -7.392 -6.443 11.065 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.864 -7.882 10.928 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.931 -6.318 10.656 1.00 0.00 C ATOM 0 H LEU A 43 -9.520 -3.976 11.872 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.942 -3.833 10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.310 -5.716 10.459 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.118 -5.756 9.174 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.482 -6.150 12.111 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.231 -8.532 11.532 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.896 -7.961 11.270 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.804 -8.187 9.883 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.324 -6.989 11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.824 -6.584 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.598 -5.291 10.807 1.00 0.00 H new ATOM 630 N TYR A 44 -7.683 -2.589 8.475 1.00 0.00 N ATOM 631 CA TYR A 44 -8.084 -1.815 7.306 1.00 0.00 C ATOM 632 C TYR A 44 -8.022 -2.666 6.042 1.00 0.00 C ATOM 633 O TYR A 44 -7.043 -3.374 5.802 1.00 0.00 O ATOM 634 CB TYR A 44 -7.188 -0.585 7.151 1.00 0.00 C ATOM 635 CG TYR A 44 -7.480 0.507 8.155 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.179 0.338 9.501 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.057 1.707 7.759 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.444 1.333 10.423 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.324 2.708 8.673 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.017 2.516 10.003 1.00 0.00 C ATOM 641 OH TYR A 44 -8.283 3.510 10.917 1.00 0.00 O ATOM 0 H TYR A 44 -6.681 -2.580 8.663 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.114 -1.490 7.453 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.146 -0.890 7.251 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.307 -0.183 6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.730 -0.587 9.832 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.301 1.860 6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.204 1.186 11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.771 3.636 8.347 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.685 4.277 10.458 1.00 0.00 H new ATOM 651 N THR A 45 -9.075 -2.591 5.233 1.00 0.00 N ATOM 652 CA THR A 45 -9.142 -3.354 3.993 1.00 0.00 C ATOM 653 C THR A 45 -8.664 -2.521 2.809 1.00 0.00 C ATOM 654 O THR A 45 -9.356 -1.607 2.361 1.00 0.00 O ATOM 655 CB THR A 45 -10.574 -3.848 3.714 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.081 -4.549 4.855 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.605 -4.760 2.497 1.00 0.00 C ATOM 0 H THR A 45 -9.893 -2.009 5.415 1.00 0.00 H new ATOM 0 HA THR A 45 -8.486 -4.216 4.116 1.00 0.00 H new ATOM 0 HB THR A 45 -11.201 -2.980 3.513 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.992 -4.858 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.627 -5.096 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.246 -4.214 1.624 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.964 -5.624 2.673 1.00 0.00 H new ATOM 665 N VAL A 46 -7.477 -2.844 2.305 1.00 0.00 N ATOM 666 CA VAL A 46 -6.908 -2.126 1.171 1.00 0.00 C ATOM 667 C VAL A 46 -6.809 -3.027 -0.055 1.00 0.00 C ATOM 668 O VAL A 46 -6.723 -4.249 0.063 1.00 0.00 O ATOM 669 CB VAL A 46 -5.509 -1.572 1.502 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.571 -0.654 2.713 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.527 -2.711 1.735 1.00 0.00 C ATOM 0 H VAL A 46 -6.891 -3.598 2.664 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.578 -1.294 0.954 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.158 -0.988 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.574 -0.272 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.241 0.180 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.943 -1.211 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.544 -2.302 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.871 -3.324 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.461 -3.324 0.836 1.00 0.00 H new ATOM 681 N LYS A 47 -6.820 -2.414 -1.235 1.00 0.00 N ATOM 682 CA LYS A 47 -6.730 -3.159 -2.485 1.00 0.00 C ATOM 683 C LYS A 47 -5.447 -2.811 -3.234 1.00 0.00 C ATOM 684 O LYS A 47 -5.139 -1.638 -3.444 1.00 0.00 O ATOM 685 CB LYS A 47 -7.945 -2.864 -3.367 1.00 0.00 C ATOM 686 CG LYS A 47 -7.979 -3.681 -4.647 1.00 0.00 C ATOM 687 CD LYS A 47 -8.929 -3.077 -5.668 1.00 0.00 C ATOM 688 CE LYS A 47 -9.535 -4.145 -6.566 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.252 -3.552 -7.728 1.00 0.00 N ATOM 0 H LYS A 47 -6.890 -1.403 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.713 -4.222 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.853 -3.059 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.950 -1.804 -3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.976 -3.738 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.288 -4.702 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.725 -2.539 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.395 -2.348 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.747 -4.807 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.226 -4.757 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.650 -4.312 -8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.020 -2.940 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.587 -2.989 -8.296 1.00 0.00 H new ATOM 703 N TYR A 48 -4.705 -3.837 -3.636 1.00 0.00 N ATOM 704 CA TYR A 48 -3.456 -3.639 -4.361 1.00 0.00 C ATOM 705 C TYR A 48 -3.698 -3.613 -5.867 1.00 0.00 C ATOM 706 O TYR A 48 -4.566 -4.320 -6.381 1.00 0.00 O ATOM 707 CB TYR A 48 -2.459 -4.746 -4.013 1.00 0.00 C ATOM 708 CG TYR A 48 -1.938 -4.667 -2.596 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.634 -5.252 -1.545 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.749 -4.008 -2.307 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.162 -5.182 -0.249 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.269 -3.934 -1.014 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.979 -4.523 0.012 1.00 0.00 C ATOM 714 OH TYR A 48 -0.504 -4.451 1.301 1.00 0.00 O ATOM 0 H TYR A 48 -4.947 -4.814 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.040 -2.677 -4.061 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.937 -5.714 -4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.618 -4.696 -4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.560 -5.770 -1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.191 -3.546 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.717 -5.641 0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.657 -3.418 -0.807 1.00 0.00 H new ATOM 0 HH TYR A 48 0.340 -3.953 1.311 1.00 0.00 H new ATOM 724 N LYS A 49 -2.925 -2.792 -6.570 1.00 0.00 N ATOM 725 CA LYS A 49 -3.052 -2.673 -8.017 1.00 0.00 C ATOM 726 C LYS A 49 -3.347 -4.028 -8.651 1.00 0.00 C ATOM 727 O LYS A 49 -4.422 -4.241 -9.213 1.00 0.00 O ATOM 728 CB LYS A 49 -1.771 -2.086 -8.615 1.00 0.00 C ATOM 729 CG LYS A 49 -1.780 -0.569 -8.702 1.00 0.00 C ATOM 730 CD LYS A 49 -0.374 -0.011 -8.847 1.00 0.00 C ATOM 731 CE LYS A 49 0.117 -0.103 -10.284 1.00 0.00 C ATOM 732 NZ LYS A 49 0.722 -1.431 -10.579 1.00 0.00 N ATOM 0 H LYS A 49 -2.203 -2.199 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.885 -2.004 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.920 -2.402 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.624 -2.498 -9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.386 -0.256 -9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.246 -0.155 -7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.359 1.029 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.305 -0.559 -8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.715 0.076 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.853 0.680 -10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.585 -1.301 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.962 -1.909 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.043 -2.011 -11.111 1.00 0.00 H new ATOM 746 N ASP A 50 -2.387 -4.942 -8.556 1.00 0.00 N ATOM 747 CA ASP A 50 -2.546 -6.278 -9.119 1.00 0.00 C ATOM 748 C ASP A 50 -3.986 -6.760 -8.978 1.00 0.00 C ATOM 749 O ASP A 50 -4.523 -7.412 -9.873 1.00 0.00 O ATOM 750 CB ASP A 50 -1.597 -7.260 -8.429 1.00 0.00 C ATOM 751 CG ASP A 50 -0.214 -6.677 -8.216 1.00 0.00 C ATOM 752 OD1 ASP A 50 0.210 -5.840 -9.040 1.00 0.00 O ATOM 753 OD2 ASP A 50 0.445 -7.058 -7.226 1.00 0.00 O ATOM 0 H ASP A 50 -1.491 -4.782 -8.095 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.301 -6.230 -10.180 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.017 -7.551 -7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.517 -8.166 -9.029 1.00 0.00 H new ATOM 758 N GLY A 51 -4.607 -6.434 -7.848 1.00 0.00 N ATOM 759 CA GLY A 51 -5.979 -6.842 -7.611 1.00 0.00 C ATOM 760 C GLY A 51 -6.105 -7.803 -6.445 1.00 0.00 C ATOM 761 O GLY A 51 -6.706 -8.870 -6.571 1.00 0.00 O ATOM 0 H GLY A 51 -4.184 -5.895 -7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.589 -5.960 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.375 -7.313 -8.511 1.00 0.00 H new ATOM 765 N THR A 52 -5.534 -7.425 -5.305 1.00 0.00 N ATOM 766 CA THR A 52 -5.583 -8.261 -4.112 1.00 0.00 C ATOM 767 C THR A 52 -6.028 -7.458 -2.895 1.00 0.00 C ATOM 768 O THR A 52 -5.585 -6.328 -2.691 1.00 0.00 O ATOM 769 CB THR A 52 -4.212 -8.900 -3.818 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.671 -9.470 -5.015 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.335 -9.975 -2.749 1.00 0.00 C ATOM 0 H THR A 52 -5.032 -6.545 -5.183 1.00 0.00 H new ATOM 0 HA THR A 52 -6.309 -9.050 -4.308 1.00 0.00 H new ATOM 0 HB THR A 52 -3.543 -8.121 -3.452 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.799 -9.873 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.355 -10.412 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.720 -9.532 -1.830 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.018 -10.752 -3.091 1.00 0.00 H new ATOM 779 N GLU A 53 -6.905 -8.049 -2.090 1.00 0.00 N ATOM 780 CA GLU A 53 -7.409 -7.387 -0.893 1.00 0.00 C ATOM 781 C GLU A 53 -6.824 -8.020 0.366 1.00 0.00 C ATOM 782 O GLU A 53 -6.733 -9.243 0.475 1.00 0.00 O ATOM 783 CB GLU A 53 -8.937 -7.456 -0.850 1.00 0.00 C ATOM 784 CG GLU A 53 -9.615 -6.587 -1.894 1.00 0.00 C ATOM 785 CD GLU A 53 -11.125 -6.724 -1.877 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.682 -7.015 -0.798 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.750 -6.540 -2.942 1.00 0.00 O ATOM 0 H GLU A 53 -7.281 -8.984 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.101 -6.342 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.250 -8.490 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.278 -7.153 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.347 -5.544 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.241 -6.854 -2.882 1.00 0.00 H new ATOM 794 N LEU A 54 -6.428 -7.179 1.315 1.00 0.00 N ATOM 795 CA LEU A 54 -5.852 -7.655 2.568 1.00 0.00 C ATOM 796 C LEU A 54 -6.314 -6.797 3.741 1.00 0.00 C ATOM 797 O LEU A 54 -6.996 -5.790 3.555 1.00 0.00 O ATOM 798 CB LEU A 54 -4.324 -7.644 2.485 1.00 0.00 C ATOM 799 CG LEU A 54 -3.709 -8.440 1.333 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.213 -8.180 1.244 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.985 -9.926 1.504 1.00 0.00 C ATOM 0 H LEU A 54 -6.495 -6.164 1.241 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.195 -8.677 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.992 -6.609 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.926 -8.033 3.422 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.170 -8.111 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.792 -8.755 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.038 -7.118 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.735 -8.481 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.540 -10.476 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.552 -10.271 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.061 -10.097 1.517 1.00 0.00 H new ATOM 813 N GLU A 55 -5.937 -7.203 4.950 1.00 0.00 N ATOM 814 CA GLU A 55 -6.313 -6.470 6.153 1.00 0.00 C ATOM 815 C GLU A 55 -5.075 -6.007 6.917 1.00 0.00 C ATOM 816 O GLU A 55 -4.389 -6.808 7.553 1.00 0.00 O ATOM 817 CB GLU A 55 -7.187 -7.342 7.056 1.00 0.00 C ATOM 818 CG GLU A 55 -8.672 -7.230 6.757 1.00 0.00 C ATOM 819 CD GLU A 55 -9.513 -8.143 7.628 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.035 -9.246 7.968 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.650 -7.755 7.970 1.00 0.00 O ATOM 0 H GLU A 55 -5.372 -8.035 5.122 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.881 -5.591 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.881 -8.383 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.012 -7.064 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.992 -6.198 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.847 -7.472 5.709 1.00 0.00 H new ATOM 828 N LEU A 56 -4.796 -4.710 6.849 1.00 0.00 N ATOM 829 CA LEU A 56 -3.641 -4.140 7.534 1.00 0.00 C ATOM 830 C LEU A 56 -4.080 -3.190 8.644 1.00 0.00 C ATOM 831 O LEU A 56 -4.899 -2.297 8.424 1.00 0.00 O ATOM 832 CB LEU A 56 -2.747 -3.399 6.537 1.00 0.00 C ATOM 833 CG LEU A 56 -2.407 -4.153 5.251 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.594 -3.272 4.315 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.653 -5.436 5.569 1.00 0.00 C ATOM 0 H LEU A 56 -5.353 -4.034 6.327 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.076 -4.957 7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.236 -2.463 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.815 -3.139 7.039 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.338 -4.417 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.361 -3.825 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.170 -2.382 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.667 -2.976 4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.419 -5.960 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.728 -5.194 6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.271 -6.074 6.200 1.00 0.00 H new ATOM 847 N LYS A 57 -3.530 -3.388 9.837 1.00 0.00 N ATOM 848 CA LYS A 57 -3.861 -2.548 10.981 1.00 0.00 C ATOM 849 C LYS A 57 -3.543 -1.084 10.693 1.00 0.00 C ATOM 850 O LYS A 57 -2.773 -0.775 9.783 1.00 0.00 O ATOM 851 CB LYS A 57 -3.092 -3.013 12.221 1.00 0.00 C ATOM 852 CG LYS A 57 -3.691 -4.242 12.882 1.00 0.00 C ATOM 853 CD LYS A 57 -3.414 -4.263 14.376 1.00 0.00 C ATOM 854 CE LYS A 57 -4.398 -3.388 15.137 1.00 0.00 C ATOM 855 NZ LYS A 57 -4.253 -3.543 16.611 1.00 0.00 N ATOM 0 H LYS A 57 -2.852 -4.124 10.037 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.931 -2.639 11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.061 -3.228 11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.061 -2.199 12.946 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.767 -4.260 12.710 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.280 -5.141 12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.476 -5.287 14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.397 -3.917 14.564 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.242 -2.344 14.864 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.416 -3.645 14.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.941 -2.930 17.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.427 -4.534 16.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.290 -3.273 16.895 1.00 0.00 H new ATOM 869 N GLU A 58 -4.138 -0.189 11.474 1.00 0.00 N ATOM 870 CA GLU A 58 -3.917 1.242 11.301 1.00 0.00 C ATOM 871 C GLU A 58 -2.426 1.569 11.324 1.00 0.00 C ATOM 872 O GLU A 58 -1.977 2.515 10.678 1.00 0.00 O ATOM 873 CB GLU A 58 -4.639 2.029 12.397 1.00 0.00 C ATOM 874 CG GLU A 58 -4.916 3.476 12.025 1.00 0.00 C ATOM 875 CD GLU A 58 -5.125 4.360 13.239 1.00 0.00 C ATOM 876 OE1 GLU A 58 -6.247 4.355 13.790 1.00 0.00 O ATOM 877 OE2 GLU A 58 -4.169 5.057 13.639 1.00 0.00 O ATOM 0 H GLU A 58 -4.777 -0.429 12.232 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.320 1.531 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.583 1.534 12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.038 2.005 13.306 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.083 3.862 11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.801 3.521 11.390 1.00 0.00 H new ATOM 884 N ASN A 59 -1.665 0.778 12.073 1.00 0.00 N ATOM 885 CA ASN A 59 -0.225 0.982 12.181 1.00 0.00 C ATOM 886 C ASN A 59 0.495 0.449 10.947 1.00 0.00 C ATOM 887 O ASN A 59 1.359 1.119 10.381 1.00 0.00 O ATOM 888 CB ASN A 59 0.316 0.296 13.437 1.00 0.00 C ATOM 889 CG ASN A 59 -0.167 0.960 14.712 1.00 0.00 C ATOM 890 OD1 ASN A 59 -1.370 1.077 14.947 1.00 0.00 O ATOM 891 ND2 ASN A 59 0.771 1.399 15.543 1.00 0.00 N ATOM 0 H ASN A 59 -2.021 -0.010 12.614 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.040 2.054 12.252 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.010 -0.750 13.437 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.406 0.309 13.414 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.506 1.854 16.416 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.756 1.281 15.308 1.00 0.00 H new ATOM 898 N ASP A 60 0.133 -0.761 10.534 1.00 0.00 N ATOM 899 CA ASP A 60 0.743 -1.385 9.366 1.00 0.00 C ATOM 900 C ASP A 60 0.688 -0.451 8.160 1.00 0.00 C ATOM 901 O ASP A 60 1.529 -0.529 7.264 1.00 0.00 O ATOM 902 CB ASP A 60 0.038 -2.702 9.038 1.00 0.00 C ATOM 903 CG ASP A 60 0.246 -3.752 10.112 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.341 -3.779 10.710 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.687 -4.548 10.352 1.00 0.00 O ATOM 0 H ASP A 60 -0.580 -1.329 10.991 1.00 0.00 H new ATOM 0 HA ASP A 60 1.788 -1.589 9.598 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.029 -2.519 8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.408 -3.082 8.086 1.00 0.00 H new ATOM 910 N ILE A 61 -0.307 0.429 8.146 1.00 0.00 N ATOM 911 CA ILE A 61 -0.471 1.378 7.051 1.00 0.00 C ATOM 912 C ILE A 61 0.248 2.689 7.347 1.00 0.00 C ATOM 913 O ILE A 61 0.140 3.235 8.445 1.00 0.00 O ATOM 914 CB ILE A 61 -1.958 1.671 6.778 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.726 0.366 6.558 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.104 2.587 5.572 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.205 0.568 6.317 1.00 0.00 C ATOM 0 H ILE A 61 -1.012 0.505 8.880 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.031 0.918 6.166 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.379 2.176 7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.296 -0.160 5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.592 -0.276 7.429 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.161 2.785 5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.586 3.527 5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.670 2.106 4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.685 -0.399 6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.649 1.066 7.179 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.348 1.183 5.429 1.00 0.00 H new ATOM 929 N LYS A 62 0.981 3.192 6.359 1.00 0.00 N ATOM 930 CA LYS A 62 1.717 4.442 6.511 1.00 0.00 C ATOM 931 C LYS A 62 1.331 5.436 5.421 1.00 0.00 C ATOM 932 O LYS A 62 0.860 5.048 4.352 1.00 0.00 O ATOM 933 CB LYS A 62 3.224 4.179 6.467 1.00 0.00 C ATOM 934 CG LYS A 62 3.683 3.107 7.440 1.00 0.00 C ATOM 935 CD LYS A 62 3.856 3.665 8.843 1.00 0.00 C ATOM 936 CE LYS A 62 4.608 2.693 9.740 1.00 0.00 C ATOM 937 NZ LYS A 62 4.412 3.006 11.183 1.00 0.00 N ATOM 0 H LYS A 62 1.081 2.753 5.444 1.00 0.00 H new ATOM 0 HA LYS A 62 1.458 4.872 7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.503 3.884 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.753 5.107 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.956 2.295 7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.627 2.683 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.396 4.611 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.878 3.878 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.269 1.677 9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.671 2.727 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.940 2.322 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.759 3.966 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.400 2.949 11.416 1.00 0.00 H new ATOM 951 N SER A 63 1.535 6.720 5.698 1.00 0.00 N ATOM 952 CA SER A 63 1.206 7.770 4.741 1.00 0.00 C ATOM 953 C SER A 63 2.307 8.825 4.693 1.00 0.00 C ATOM 954 O SER A 63 2.968 9.095 5.695 1.00 0.00 O ATOM 955 CB SER A 63 -0.127 8.424 5.107 1.00 0.00 C ATOM 956 OG SER A 63 -0.131 8.852 6.458 1.00 0.00 O ATOM 0 H SER A 63 1.926 7.058 6.577 1.00 0.00 H new ATOM 0 HA SER A 63 1.120 7.314 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.310 9.276 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.940 7.716 4.944 1.00 0.00 H new ATOM 0 HG SER A 63 -0.827 9.530 6.584 1.00 0.00 H new