USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 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 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 154 THR OG1 : rot 180:sc=-0.00316 USER MOD Set 2.1: A 19 HIS : no HD1:sc= -2.51! C(o=-2.4!,f=-7.9!) USER MOD Set 2.2: A 96 THR OG1 : rot -130:sc= 0.0815 USER MOD Set 3.1: A 31 SER OG : rot 152:sc= 0.712 USER MOD Set 3.2: A 155 LYS NZ :NH3+ 172:sc= 1.59 (180deg=0.38) USER MOD Set 4.1: A 16 HIS : no HD1:sc= -2.32 K(o=-3.6,f=-9.1!) USER MOD Set 4.2: A 93 MET CE :methyl -118:sc= -0.847 (180deg=-3.46!) USER MOD Set 4.3: A 95 GLN : amide:sc= -0.478 K(o=-3.6,f=-9.6!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 173:sc= -0.42 (180deg=-0.543) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0.0086) USER MOD Single : A 48 TYR OH : rot 84:sc= 1.12 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= -0.0043 (180deg=-0.0975) USER MOD Single : A 107 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.017) USER MOD Single : A 115 ASN : amide:sc= 0.818 K(o=0.82,f=-2.3) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 148:sc= -0.775 (180deg=-3.96!) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.00077) USER MOD Single : A 128 MET CE :methyl -142:sc= -4.42! (180deg=-5.63!) USER MOD Single : A 129 GLN : amide:sc= -0.0368 K(o=-0.037,f=-1.3!) USER MOD Single : A 132 MET CE :methyl 156:sc= -3.04! (180deg=-5.35!) USER MOD Single : A 134 TYR OH : rot 150:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0905 X(o=-0.091,f=-0.22) USER MOD Single : A 145 THR OG1 : rot -60:sc= -2.29! USER MOD Single : A 148 CYS SG : rot -140:sc= -0.237 USER MOD Single : A 149 LYS NZ :NH3+ -152:sc= 1.08 (180deg=0.455) USER MOD Single : A 151 SER OG : rot 37:sc= -0.603 USER MOD Single : A 160 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.4!) USER MOD Single : A 164 MET CE :methyl -168:sc= -2.57! (180deg=-3.52!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -15.455 2.576 -4.503 1.00 0.67 N ATOM 156 CA VAL A 11 -14.062 2.169 -4.599 1.00 0.60 C ATOM 157 C VAL A 11 -13.680 1.230 -3.452 1.00 0.56 C ATOM 158 O VAL A 11 -14.001 1.486 -2.286 1.00 0.74 O ATOM 159 CB VAL A 11 -13.124 3.396 -4.632 1.00 0.61 C ATOM 160 CG1 VAL A 11 -11.726 3.020 -4.197 1.00 1.00 C ATOM 161 CG2 VAL A 11 -13.084 3.991 -6.031 1.00 0.98 C ATOM 0 HA VAL A 11 -13.943 1.625 -5.536 1.00 0.60 H new ATOM 0 HB VAL A 11 -13.516 4.138 -3.936 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -11.086 3.901 -4.229 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -11.754 2.629 -3.180 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -11.329 2.258 -4.868 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -12.419 4.855 -6.040 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -12.717 3.243 -6.734 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -14.087 4.302 -6.323 1.00 0.98 H new ATOM 171 N THR A 12 -13.005 0.139 -3.801 1.00 0.46 N ATOM 172 CA THR A 12 -12.586 -0.858 -2.832 1.00 0.45 C ATOM 173 C THR A 12 -11.169 -0.580 -2.327 1.00 0.39 C ATOM 174 O THR A 12 -10.224 -0.495 -3.114 1.00 0.43 O ATOM 175 CB THR A 12 -12.616 -2.268 -3.455 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.825 -2.455 -4.202 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.518 -3.336 -2.376 1.00 0.62 C ATOM 0 H THR A 12 -12.736 -0.075 -4.761 1.00 0.46 H new ATOM 0 HA THR A 12 -13.283 -0.806 -1.996 1.00 0.45 H new ATOM 0 HB THR A 12 -11.759 -2.361 -4.123 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.832 -3.353 -4.594 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.541 -4.323 -2.838 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.584 -3.214 -1.827 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.358 -3.237 -1.689 1.00 0.62 H new ATOM 185 N ILE A 13 -11.032 -0.426 -1.019 1.00 0.39 N ATOM 186 CA ILE A 13 -9.721 -0.309 -0.395 1.00 0.38 C ATOM 187 C ILE A 13 -9.363 -1.612 0.304 1.00 0.37 C ATOM 188 O ILE A 13 -10.098 -2.082 1.172 1.00 0.51 O ATOM 189 CB ILE A 13 -9.651 0.837 0.637 1.00 0.50 C ATOM 190 CG1 ILE A 13 -9.863 2.191 -0.041 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.314 0.812 1.372 1.00 0.80 C ATOM 192 CD1 ILE A 13 -9.666 3.364 0.893 1.00 1.03 C ATOM 0 H ILE A 13 -11.815 -0.379 -0.366 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.014 -0.087 -1.194 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.450 0.691 1.364 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.172 2.282 -0.879 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -10.871 2.229 -0.454 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.281 1.626 2.096 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.202 -0.140 1.891 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.502 0.931 0.655 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -9.831 4.294 0.349 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -10.375 3.295 1.718 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -8.649 3.349 1.286 1.00 1.03 H new ATOM 204 N MET A 14 -8.242 -2.190 -0.081 1.00 0.31 N ATOM 205 CA MET A 14 -7.769 -3.421 0.535 1.00 0.35 C ATOM 206 C MET A 14 -6.331 -3.254 0.997 1.00 0.29 C ATOM 207 O MET A 14 -5.654 -2.301 0.618 1.00 0.46 O ATOM 208 CB MET A 14 -7.864 -4.602 -0.436 1.00 0.56 C ATOM 209 CG MET A 14 -9.270 -4.862 -0.956 1.00 0.75 C ATOM 210 SD MET A 14 -9.440 -6.453 -1.800 1.00 1.04 S ATOM 211 CE MET A 14 -8.653 -6.114 -3.370 1.00 0.77 C ATOM 0 H MET A 14 -7.638 -1.828 -0.819 1.00 0.31 H new ATOM 0 HA MET A 14 -8.407 -3.632 1.394 1.00 0.35 H new ATOM 0 HB2 MET A 14 -7.203 -4.418 -1.283 1.00 0.56 H new ATOM 0 HB3 MET A 14 -7.500 -5.500 0.063 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.971 -4.825 -0.122 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.549 -4.063 -1.643 1.00 0.75 H new ATOM 0 HE1 MET A 14 -8.573 -7.037 -3.944 1.00 0.77 H new ATOM 0 HE2 MET A 14 -9.249 -5.391 -3.927 1.00 0.77 H new ATOM 0 HE3 MET A 14 -7.657 -5.707 -3.197 1.00 0.77 H new ATOM 221 N GLY A 15 -5.877 -4.172 1.824 1.00 0.34 N ATOM 222 CA GLY A 15 -4.521 -4.147 2.293 1.00 0.45 C ATOM 223 C GLY A 15 -4.350 -5.082 3.461 1.00 0.62 C ATOM 224 O GLY A 15 -4.402 -6.294 3.308 1.00 1.55 O ATOM 0 H GLY A 15 -6.436 -4.946 2.183 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.846 -4.435 1.487 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.251 -3.133 2.588 1.00 0.45 H new ATOM 228 N HIS A 16 -4.198 -4.503 4.627 1.00 0.51 N ATOM 229 CA HIS A 16 -4.064 -5.242 5.870 1.00 0.45 C ATOM 230 C HIS A 16 -4.423 -4.314 7.023 1.00 0.49 C ATOM 231 O HIS A 16 -4.051 -3.141 7.035 1.00 0.64 O ATOM 232 CB HIS A 16 -2.638 -5.791 6.008 1.00 0.43 C ATOM 233 CG HIS A 16 -2.322 -6.394 7.348 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.012 -7.479 7.825 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.386 -6.032 8.258 1.00 0.50 C ATOM 236 CE1 HIS A 16 -2.488 -7.756 9.004 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.501 -6.904 9.308 1.00 0.59 N ATOM 0 H HIS A 16 -4.163 -3.491 4.747 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.740 -6.097 5.880 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.478 -6.546 5.239 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.932 -4.983 5.813 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -0.685 -5.215 8.172 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -2.813 -8.565 9.641 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -0.941 -6.904 10.160 1.00 0.59 H new ATOM 245 N VAL A 17 -5.176 -4.857 7.975 1.00 0.53 N ATOM 246 CA VAL A 17 -5.807 -4.064 9.030 1.00 0.67 C ATOM 247 C VAL A 17 -4.804 -3.297 9.887 1.00 0.64 C ATOM 248 O VAL A 17 -5.105 -2.200 10.362 1.00 0.78 O ATOM 249 CB VAL A 17 -6.690 -4.943 9.942 1.00 0.87 C ATOM 250 CG1 VAL A 17 -7.907 -5.451 9.178 1.00 1.55 C ATOM 251 CG2 VAL A 17 -5.898 -6.112 10.514 1.00 1.62 C ATOM 0 H VAL A 17 -5.367 -5.857 8.039 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.428 -3.333 8.512 1.00 0.67 H new ATOM 0 HB VAL A 17 -7.030 -4.326 10.774 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -8.518 -6.069 9.836 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -8.495 -4.604 8.826 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -7.579 -6.044 8.325 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -6.546 -6.713 11.152 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -5.519 -6.728 9.699 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -5.062 -5.732 11.101 1.00 1.62 H new ATOM 261 N ASP A 18 -3.612 -3.859 10.063 1.00 0.57 N ATOM 262 CA ASP A 18 -2.599 -3.253 10.927 1.00 0.61 C ATOM 263 C ASP A 18 -1.905 -2.086 10.233 1.00 0.56 C ATOM 264 O ASP A 18 -1.345 -1.211 10.888 1.00 0.69 O ATOM 265 CB ASP A 18 -1.560 -4.293 11.360 1.00 0.69 C ATOM 266 CG ASP A 18 -0.463 -3.697 12.225 1.00 1.06 C ATOM 267 OD1 ASP A 18 -0.673 -3.561 13.449 1.00 1.17 O ATOM 268 OD2 ASP A 18 0.614 -3.365 11.681 1.00 1.78 O ATOM 0 H ASP A 18 -3.322 -4.731 9.621 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.110 -2.873 11.812 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -2.058 -5.091 11.910 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -1.114 -4.746 10.475 1.00 0.69 H new ATOM 273 N HIS A 19 -1.973 -2.049 8.904 1.00 0.46 N ATOM 274 CA HIS A 19 -1.308 -1.008 8.128 1.00 0.48 C ATOM 275 C HIS A 19 -1.991 0.344 8.315 1.00 0.58 C ATOM 276 O HIS A 19 -1.544 1.362 7.786 1.00 0.65 O ATOM 277 CB HIS A 19 -1.269 -1.392 6.650 1.00 0.46 C ATOM 278 CG HIS A 19 -0.309 -2.504 6.355 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.478 -3.332 5.275 1.00 0.60 N ATOM 280 CD2 HIS A 19 0.814 -2.866 7.018 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.539 -4.174 5.303 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.350 -3.931 6.344 1.00 0.48 N ATOM 0 H HIS A 19 -2.484 -2.730 8.342 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.285 -0.916 8.493 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -2.268 -1.689 6.332 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.994 -0.517 6.061 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.212 -2.403 7.909 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.698 -4.959 4.579 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.200 -4.440 6.586 1.00 0.48 H new ATOM 290 N GLY A 20 -3.073 0.343 9.081 1.00 0.76 N ATOM 291 CA GLY A 20 -3.743 1.577 9.414 1.00 0.90 C ATOM 292 C GLY A 20 -4.874 1.904 8.468 1.00 0.81 C ATOM 293 O GLY A 20 -5.029 3.047 8.059 1.00 0.93 O ATOM 0 H GLY A 20 -3.498 -0.495 9.478 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -4.133 1.510 10.430 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -3.019 2.392 9.403 1.00 0.90 H new ATOM 297 N LYS A 21 -5.677 0.906 8.131 1.00 0.79 N ATOM 298 CA LYS A 21 -6.826 1.118 7.257 1.00 0.87 C ATOM 299 C LYS A 21 -7.853 2.000 7.958 1.00 0.89 C ATOM 300 O LYS A 21 -8.466 2.875 7.348 1.00 0.93 O ATOM 301 CB LYS A 21 -7.465 -0.214 6.890 1.00 1.09 C ATOM 302 CG LYS A 21 -8.418 -0.143 5.704 1.00 1.20 C ATOM 303 CD LYS A 21 -8.840 -1.530 5.237 1.00 1.39 C ATOM 304 CE LYS A 21 -9.855 -2.175 6.171 1.00 1.73 C ATOM 305 NZ LYS A 21 -11.248 -1.755 5.856 1.00 2.11 N ATOM 0 H LYS A 21 -5.557 -0.056 8.447 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.485 1.610 6.346 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -6.677 -0.933 6.666 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -8.007 -0.595 7.755 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -9.301 0.432 5.981 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -7.937 0.387 4.882 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -9.266 -1.459 4.236 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.960 -2.169 5.165 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -9.778 -3.260 6.097 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -9.620 -1.908 7.201 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -11.907 -2.217 6.515 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -11.329 -0.723 5.951 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -11.482 -2.032 4.881 1.00 2.11 H new ATOM 319 N THR A 22 -8.021 1.760 9.253 1.00 0.92 N ATOM 320 CA THR A 22 -8.907 2.569 10.069 1.00 1.00 C ATOM 321 C THR A 22 -8.348 3.985 10.193 1.00 0.99 C ATOM 322 O THR A 22 -9.091 4.965 10.186 1.00 1.03 O ATOM 323 CB THR A 22 -9.112 1.939 11.471 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.907 2.792 12.298 1.00 1.80 O ATOM 325 CG2 THR A 22 -7.781 1.658 12.155 1.00 1.65 C ATOM 0 H THR A 22 -7.552 1.008 9.758 1.00 0.92 H new ATOM 0 HA THR A 22 -9.881 2.611 9.581 1.00 1.00 H new ATOM 0 HB THR A 22 -9.633 0.992 11.328 1.00 1.10 H new ATOM 0 HG1 THR A 22 -10.026 2.376 13.177 1.00 1.80 H new ATOM 0 HG21 THR A 22 -7.962 1.217 13.135 1.00 1.65 H new ATOM 0 HG22 THR A 22 -7.199 0.966 11.547 1.00 1.65 H new ATOM 0 HG23 THR A 22 -7.229 2.590 12.273 1.00 1.65 H new ATOM 333 N THR A 23 -7.026 4.077 10.266 1.00 0.99 N ATOM 334 CA THR A 23 -6.344 5.356 10.307 1.00 1.02 C ATOM 335 C THR A 23 -6.499 6.080 8.975 1.00 0.96 C ATOM 336 O THR A 23 -6.645 7.302 8.931 1.00 0.96 O ATOM 337 CB THR A 23 -4.845 5.161 10.608 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.686 4.245 11.702 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.181 6.485 10.948 1.00 1.41 C ATOM 0 H THR A 23 -6.403 3.270 10.298 1.00 0.99 H new ATOM 0 HA THR A 23 -6.793 5.954 11.100 1.00 1.02 H new ATOM 0 HB THR A 23 -4.366 4.755 9.717 1.00 1.12 H new ATOM 0 HG1 THR A 23 -3.732 4.122 11.890 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.124 6.319 11.156 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.282 7.170 10.106 1.00 1.41 H new ATOM 0 HG23 THR A 23 -4.660 6.917 11.826 1.00 1.41 H new ATOM 347 N LEU A 24 -6.493 5.306 7.896 1.00 0.96 N ATOM 348 CA LEU A 24 -6.609 5.861 6.555 1.00 0.96 C ATOM 349 C LEU A 24 -7.974 6.504 6.369 1.00 0.89 C ATOM 350 O LEU A 24 -8.078 7.649 5.932 1.00 0.91 O ATOM 351 CB LEU A 24 -6.389 4.768 5.504 1.00 1.06 C ATOM 352 CG LEU A 24 -6.364 5.250 4.053 1.00 0.88 C ATOM 353 CD1 LEU A 24 -5.209 6.215 3.833 1.00 1.78 C ATOM 354 CD2 LEU A 24 -6.266 4.070 3.099 1.00 1.57 C ATOM 0 H LEU A 24 -6.409 4.290 7.925 1.00 0.96 H new ATOM 0 HA LEU A 24 -5.842 6.625 6.427 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.446 4.266 5.719 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.178 4.023 5.608 1.00 1.06 H new ATOM 0 HG LEU A 24 -7.296 5.777 3.849 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -5.206 6.548 2.795 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -5.325 7.077 4.490 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -4.268 5.713 4.055 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -6.250 4.433 2.071 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -5.351 3.513 3.302 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -7.127 3.416 3.239 1.00 1.57 H new ATOM 366 N LEU A 25 -9.015 5.770 6.732 1.00 0.88 N ATOM 367 CA LEU A 25 -10.378 6.268 6.625 1.00 0.91 C ATOM 368 C LEU A 25 -10.593 7.422 7.605 1.00 0.89 C ATOM 369 O LEU A 25 -11.345 8.348 7.330 1.00 0.92 O ATOM 370 CB LEU A 25 -11.372 5.133 6.903 1.00 1.02 C ATOM 371 CG LEU A 25 -12.558 5.038 5.933 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.422 6.285 5.995 1.00 1.76 C ATOM 373 CD2 LEU A 25 -12.071 4.807 4.512 1.00 1.96 C ATOM 0 H LEU A 25 -8.941 4.823 7.105 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.545 6.638 5.613 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -10.831 4.187 6.881 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.761 5.254 7.914 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.168 4.187 6.238 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.253 6.187 5.297 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.810 6.409 7.006 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -12.824 7.156 5.727 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -12.927 4.743 3.840 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -11.432 5.636 4.207 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -11.505 3.877 4.468 1.00 1.96 H new ATOM 385 N ASP A 26 -9.917 7.377 8.742 1.00 0.91 N ATOM 386 CA ASP A 26 -10.045 8.437 9.736 1.00 0.96 C ATOM 387 C ASP A 26 -9.485 9.760 9.218 1.00 0.92 C ATOM 388 O ASP A 26 -10.200 10.761 9.157 1.00 0.95 O ATOM 389 CB ASP A 26 -9.362 8.060 11.031 1.00 1.05 C ATOM 390 CG ASP A 26 -9.547 9.119 12.096 1.00 1.21 C ATOM 391 OD1 ASP A 26 -10.696 9.557 12.314 1.00 1.35 O ATOM 392 OD2 ASP A 26 -8.540 9.508 12.728 1.00 1.38 O ATOM 0 H ASP A 26 -9.278 6.625 9.001 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.110 8.566 9.929 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -9.762 7.111 11.389 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.298 7.910 10.850 1.00 1.05 H new ATOM 397 N ALA A 27 -8.215 9.750 8.819 1.00 0.89 N ATOM 398 CA ALA A 27 -7.553 10.945 8.292 1.00 0.89 C ATOM 399 C ALA A 27 -8.247 11.438 7.030 1.00 0.85 C ATOM 400 O ALA A 27 -8.278 12.635 6.749 1.00 0.90 O ATOM 401 CB ALA A 27 -6.085 10.654 8.006 1.00 0.91 C ATOM 0 H ALA A 27 -7.619 8.923 8.850 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.617 11.729 9.046 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.606 11.551 7.615 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.588 10.350 8.927 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.009 9.853 7.271 1.00 0.91 H new ATOM 407 N ILE A 28 -8.819 10.509 6.288 1.00 0.82 N ATOM 408 CA ILE A 28 -9.495 10.835 5.048 1.00 0.83 C ATOM 409 C ILE A 28 -10.847 11.509 5.329 1.00 0.88 C ATOM 410 O ILE A 28 -11.324 12.323 4.540 1.00 0.94 O ATOM 411 CB ILE A 28 -9.644 9.561 4.178 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.474 9.888 2.699 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.975 8.873 4.415 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.227 8.657 1.857 1.00 0.95 C ATOM 0 H ILE A 28 -8.828 9.517 6.525 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.895 11.551 4.486 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.853 8.873 4.476 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.368 10.397 2.338 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.641 10.580 2.577 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.042 7.984 3.787 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.054 8.584 5.463 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.787 9.556 4.165 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.113 8.947 0.813 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.318 8.160 2.197 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.071 7.974 1.954 1.00 0.95 H new ATOM 426 N ARG A 29 -11.445 11.196 6.482 1.00 0.93 N ATOM 427 CA ARG A 29 -12.652 11.889 6.935 1.00 1.04 C ATOM 428 C ARG A 29 -12.278 13.212 7.562 1.00 1.08 C ATOM 429 O ARG A 29 -13.026 14.185 7.491 1.00 1.17 O ATOM 430 CB ARG A 29 -13.410 11.076 7.974 1.00 1.16 C ATOM 431 CG ARG A 29 -13.890 9.737 7.479 1.00 1.33 C ATOM 432 CD ARG A 29 -14.500 8.939 8.614 1.00 1.58 C ATOM 433 NE ARG A 29 -13.607 8.876 9.774 1.00 2.13 N ATOM 434 CZ ARG A 29 -13.974 8.426 10.975 1.00 2.85 C ATOM 435 NH1 ARG A 29 -15.189 7.924 11.154 1.00 3.29 N ATOM 436 NH2 ARG A 29 -13.118 8.460 11.991 1.00 3.56 N ATOM 0 H ARG A 29 -11.113 10.469 7.116 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.288 12.036 6.062 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -12.765 10.921 8.839 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -14.269 11.654 8.316 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.627 9.878 6.688 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.058 9.184 7.044 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.447 9.391 8.908 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -14.722 7.929 8.270 1.00 1.58 H new ATOM 0 HE ARG A 29 -12.646 9.196 9.656 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -15.844 7.882 10.373 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -15.468 7.580 12.073 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -12.178 8.831 11.854 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -13.401 8.115 12.908 1.00 3.56 H new ATOM 450 N HIS A 30 -11.109 13.228 8.189 1.00 1.05 N ATOM 451 CA HIS A 30 -10.572 14.422 8.824 1.00 1.13 C ATOM 452 C HIS A 30 -10.265 15.481 7.766 1.00 1.15 C ATOM 453 O HIS A 30 -9.957 16.625 8.080 1.00 1.32 O ATOM 454 CB HIS A 30 -9.322 14.049 9.609 1.00 1.23 C ATOM 455 CG HIS A 30 -8.913 15.016 10.663 1.00 1.70 C ATOM 456 ND1 HIS A 30 -7.934 14.749 11.595 1.00 2.44 N ATOM 457 CD2 HIS A 30 -9.361 16.246 10.932 1.00 2.01 C ATOM 458 CE1 HIS A 30 -7.799 15.790 12.393 1.00 2.88 C ATOM 459 NE2 HIS A 30 -8.658 16.716 12.011 1.00 2.60 N ATOM 0 H HIS A 30 -10.505 12.410 8.271 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.306 14.841 9.513 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.484 13.077 10.076 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -8.496 13.932 8.908 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -10.136 16.774 10.397 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -7.105 15.871 13.217 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -8.779 17.630 12.447 1.00 2.60 H new ATOM 468 N SER A 31 -10.364 15.079 6.507 1.00 1.07 N ATOM 469 CA SER A 31 -10.170 15.990 5.395 1.00 1.19 C ATOM 470 C SER A 31 -11.468 16.764 5.136 1.00 1.32 C ATOM 471 O SER A 31 -11.434 17.975 4.916 1.00 1.76 O ATOM 472 CB SER A 31 -9.743 15.203 4.150 1.00 1.15 C ATOM 473 OG SER A 31 -8.797 15.932 3.381 1.00 1.50 O ATOM 0 H SER A 31 -10.579 14.121 6.232 1.00 1.07 H new ATOM 0 HA SER A 31 -9.382 16.704 5.635 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.313 14.248 4.450 1.00 1.15 H new ATOM 0 HB3 SER A 31 -10.618 14.981 3.539 1.00 1.15 H new ATOM 0 HG SER A 31 -8.222 15.307 2.892 1.00 1.50 H new ATOM 706 N TYR A 48 -17.725 7.577 4.038 1.00 1.05 N ATOM 707 CA TYR A 48 -17.998 8.884 3.472 1.00 1.04 C ATOM 708 C TYR A 48 -18.028 8.792 1.953 1.00 0.91 C ATOM 709 O TYR A 48 -17.777 7.727 1.383 1.00 0.86 O ATOM 710 CB TYR A 48 -16.923 9.882 3.910 1.00 1.16 C ATOM 711 CG TYR A 48 -15.624 9.695 3.183 1.00 1.12 C ATOM 712 CD1 TYR A 48 -14.889 8.529 3.331 1.00 1.34 C ATOM 713 CD2 TYR A 48 -15.152 10.670 2.323 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.713 8.342 2.644 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.979 10.490 1.626 1.00 1.73 C ATOM 716 CZ TYR A 48 -13.263 9.328 1.790 1.00 1.96 C ATOM 717 OH TYR A 48 -12.099 9.148 1.091 1.00 2.54 O ATOM 0 HA TYR A 48 -18.968 9.229 3.830 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.285 10.896 3.742 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -16.752 9.778 4.982 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.245 7.756 3.996 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -15.712 11.585 2.197 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.146 7.431 2.772 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -13.623 11.257 0.954 1.00 1.73 H new ATOM 0 HH TYR A 48 -12.282 8.630 0.279 1.00 2.54 H new ATOM 727 N GLN A 49 -18.320 9.910 1.312 1.00 1.01 N ATOM 728 CA GLN A 49 -18.349 9.992 -0.135 1.00 1.00 C ATOM 729 C GLN A 49 -17.714 11.310 -0.547 1.00 1.11 C ATOM 730 O GLN A 49 -18.237 12.386 -0.245 1.00 1.34 O ATOM 731 CB GLN A 49 -19.785 9.878 -0.656 1.00 1.16 C ATOM 732 CG GLN A 49 -20.485 8.604 -0.205 1.00 1.18 C ATOM 733 CD GLN A 49 -21.890 8.471 -0.756 1.00 1.42 C ATOM 734 OE1 GLN A 49 -22.186 8.947 -1.844 1.00 1.80 O ATOM 735 NE2 GLN A 49 -22.768 7.822 -0.005 1.00 1.96 N ATOM 0 H GLN A 49 -18.544 10.787 1.782 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.788 9.165 -0.570 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.358 10.740 -0.315 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.774 9.913 -1.745 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.895 7.742 -0.518 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.525 8.584 0.884 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -22.484 7.439 0.897 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -23.728 7.705 -0.329 1.00 1.96 H new ATOM 744 N VAL A 50 -16.574 11.219 -1.202 1.00 1.04 N ATOM 745 CA VAL A 50 -15.743 12.384 -1.454 1.00 1.18 C ATOM 746 C VAL A 50 -15.978 12.958 -2.837 1.00 1.28 C ATOM 747 O VAL A 50 -16.386 12.266 -3.769 1.00 1.38 O ATOM 748 CB VAL A 50 -14.247 12.042 -1.270 1.00 1.24 C ATOM 749 CG1 VAL A 50 -13.883 10.850 -2.118 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.325 13.215 -1.589 1.00 1.59 C ATOM 0 H VAL A 50 -16.198 10.346 -1.572 1.00 1.04 H new ATOM 0 HA VAL A 50 -16.027 13.142 -0.724 1.00 1.18 H new ATOM 0 HB VAL A 50 -14.102 11.806 -0.216 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -12.827 10.616 -1.982 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -14.486 9.993 -1.819 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -14.072 11.078 -3.167 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.288 12.913 -1.441 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -13.470 13.520 -2.625 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.557 14.050 -0.929 1.00 1.59 H new ATOM 860 N ILE A 57 -16.555 9.688 -5.141 1.00 1.14 N ATOM 861 CA ILE A 57 -15.993 8.408 -4.734 1.00 0.88 C ATOM 862 C ILE A 57 -16.563 7.950 -3.398 1.00 0.85 C ATOM 863 O ILE A 57 -16.354 8.593 -2.367 1.00 0.97 O ATOM 864 CB ILE A 57 -14.455 8.470 -4.606 1.00 0.80 C ATOM 865 CG1 ILE A 57 -13.838 9.351 -5.696 1.00 0.86 C ATOM 866 CG2 ILE A 57 -13.878 7.067 -4.683 1.00 0.87 C ATOM 867 CD1 ILE A 57 -12.355 9.609 -5.494 1.00 0.86 C ATOM 0 HA ILE A 57 -16.263 7.698 -5.515 1.00 0.88 H new ATOM 0 HB ILE A 57 -14.212 8.914 -3.641 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -13.988 8.876 -6.665 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -14.365 10.305 -5.724 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -12.793 7.114 -4.592 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -14.284 6.462 -3.872 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -14.143 6.617 -5.640 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -11.982 10.239 -6.301 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -12.200 10.112 -4.540 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -11.817 8.661 -5.496 1.00 0.86 H new ATOM 879 N THR A 58 -17.284 6.843 -3.422 1.00 0.80 N ATOM 880 CA THR A 58 -17.785 6.233 -2.206 1.00 0.80 C ATOM 881 C THR A 58 -16.785 5.190 -1.721 1.00 0.73 C ATOM 882 O THR A 58 -16.395 4.300 -2.478 1.00 0.85 O ATOM 883 CB THR A 58 -19.155 5.573 -2.441 1.00 0.88 C ATOM 884 OG1 THR A 58 -20.016 6.489 -3.123 1.00 1.11 O ATOM 885 CG2 THR A 58 -19.794 5.154 -1.123 1.00 1.28 C ATOM 0 H THR A 58 -17.536 6.347 -4.277 1.00 0.80 H new ATOM 0 HA THR A 58 -17.910 7.009 -1.451 1.00 0.80 H new ATOM 0 HB THR A 58 -19.008 4.680 -3.049 1.00 0.88 H new ATOM 0 HG1 THR A 58 -20.888 6.068 -3.274 1.00 1.11 H new ATOM 0 HG21 THR A 58 -20.761 4.691 -1.319 1.00 1.28 H new ATOM 0 HG22 THR A 58 -19.146 4.440 -0.615 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.933 6.031 -0.491 1.00 1.28 H new ATOM 893 N PHE A 59 -16.354 5.307 -0.477 1.00 0.65 N ATOM 894 CA PHE A 59 -15.296 4.444 0.032 1.00 0.64 C ATOM 895 C PHE A 59 -15.836 3.303 0.888 1.00 0.73 C ATOM 896 O PHE A 59 -16.444 3.529 1.935 1.00 0.83 O ATOM 897 CB PHE A 59 -14.262 5.257 0.816 1.00 0.64 C ATOM 898 CG PHE A 59 -13.272 5.966 -0.063 1.00 0.60 C ATOM 899 CD1 PHE A 59 -13.669 7.038 -0.844 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.949 5.568 -0.107 1.00 0.75 C ATOM 901 CE1 PHE A 59 -12.767 7.701 -1.650 1.00 0.84 C ATOM 902 CE2 PHE A 59 -11.042 6.227 -0.910 1.00 0.79 C ATOM 903 CZ PHE A 59 -11.435 7.259 -1.695 1.00 0.70 C ATOM 0 H PHE A 59 -16.715 5.984 0.196 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.811 3.995 -0.835 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.780 5.991 1.434 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.725 4.592 1.493 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -14.700 7.360 -0.822 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.622 4.732 0.494 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -13.081 8.550 -2.239 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -10.007 5.917 -0.913 1.00 0.79 H new ATOM 0 HZ PHE A 59 -10.726 7.740 -2.353 1.00 0.70 H new ATOM 1221 N ILE A 81 -10.776 -1.162 -9.766 1.00 0.74 N ATOM 1222 CA ILE A 81 -10.017 -0.260 -8.886 1.00 0.55 C ATOM 1223 C ILE A 81 -9.584 -1.012 -7.631 1.00 0.47 C ATOM 1224 O ILE A 81 -10.421 -1.431 -6.834 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.824 1.001 -8.451 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.938 2.009 -9.595 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -10.175 1.665 -7.244 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.618 2.638 -9.982 1.00 0.73 C ATOM 0 HA ILE A 81 -9.157 0.081 -9.463 1.00 0.55 H new ATOM 0 HB ILE A 81 -11.827 0.671 -8.180 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.363 1.510 -10.466 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -11.635 2.796 -9.307 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -10.754 2.543 -6.957 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -10.147 0.961 -6.413 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -9.159 1.967 -7.498 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.776 3.342 -10.799 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -9.201 3.166 -9.124 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.924 1.860 -10.302 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.287 -1.207 -7.458 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.785 -1.857 -6.276 1.00 0.30 C ATOM 1242 C VAL A 82 -6.869 -0.939 -5.497 1.00 0.25 C ATOM 1243 O VAL A 82 -5.714 -0.752 -5.866 1.00 0.28 O ATOM 1244 CB VAL A 82 -6.999 -3.122 -6.628 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.460 -3.753 -5.366 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -7.864 -4.098 -7.403 1.00 1.19 C ATOM 0 H VAL A 82 -7.570 -0.922 -8.125 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.653 -2.118 -5.671 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.160 -2.851 -7.268 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -5.901 -4.654 -5.620 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -5.801 -3.048 -4.859 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.288 -4.014 -4.707 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -7.283 -4.989 -7.642 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -8.727 -4.378 -6.799 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.204 -3.629 -8.326 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.373 -0.355 -4.433 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.504 0.357 -3.526 1.00 0.25 C ATOM 1258 C ILE A 83 -5.814 -0.666 -2.648 1.00 0.27 C ATOM 1259 O ILE A 83 -6.469 -1.449 -1.965 1.00 0.45 O ATOM 1260 CB ILE A 83 -7.272 1.343 -2.618 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -8.156 2.294 -3.434 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -6.296 2.130 -1.749 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -7.415 3.462 -4.056 1.00 1.32 C ATOM 0 H ILE A 83 -8.361 -0.358 -4.178 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.798 0.939 -4.118 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.929 0.760 -1.973 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.644 1.726 -4.226 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.944 2.682 -2.788 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.850 2.821 -1.114 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.727 1.441 -1.125 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.613 2.691 -2.386 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -8.116 4.082 -4.614 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.950 4.057 -3.271 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.646 3.087 -4.731 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.507 -0.674 -2.690 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.732 -1.658 -1.955 1.00 0.27 C ATOM 1277 C LEU A 84 -2.822 -0.978 -0.926 1.00 0.27 C ATOM 1278 O LEU A 84 -1.788 -0.426 -1.274 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.925 -2.487 -2.961 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.228 -3.727 -2.407 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -0.914 -3.361 -1.742 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -3.146 -4.446 -1.431 1.00 1.33 C ATOM 0 H LEU A 84 -3.949 -0.010 -3.226 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.398 -2.317 -1.398 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.594 -2.800 -3.763 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.170 -1.841 -3.410 1.00 0.35 H new ATOM 0 HG LEU A 84 -2.003 -4.398 -3.236 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.438 -4.262 -1.356 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -0.257 -2.887 -2.471 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -1.102 -2.670 -0.920 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.641 -5.330 -1.040 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.397 -3.777 -0.607 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -4.059 -4.747 -1.945 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.197 -1.026 0.344 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.436 -0.329 1.375 1.00 0.28 C ATOM 1296 C VAL A 85 -1.325 -1.204 1.961 1.00 0.27 C ATOM 1297 O VAL A 85 -1.455 -2.427 2.055 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.348 0.178 2.517 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.806 -0.958 3.419 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.648 1.275 3.319 1.00 1.20 C ATOM 0 H VAL A 85 -4.014 -1.534 0.685 1.00 0.28 H new ATOM 0 HA VAL A 85 -1.978 0.529 0.883 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.242 0.605 2.063 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.444 -0.561 4.208 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.365 -1.686 2.832 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.937 -1.442 3.864 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.306 1.618 4.117 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.729 0.880 3.751 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.409 2.111 2.661 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.227 -0.548 2.322 1.00 0.25 N ATOM 1311 CA VAL A 86 0.880 -1.170 3.035 1.00 0.27 C ATOM 1312 C VAL A 86 1.411 -0.171 4.055 1.00 0.24 C ATOM 1313 O VAL A 86 0.852 0.913 4.200 1.00 0.26 O ATOM 1314 CB VAL A 86 2.033 -1.598 2.096 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.600 -2.727 1.180 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.536 -0.421 1.280 1.00 0.95 C ATOM 0 H VAL A 86 -0.080 0.442 2.125 1.00 0.25 H new ATOM 0 HA VAL A 86 0.506 -2.075 3.514 1.00 0.27 H new ATOM 0 HB VAL A 86 2.850 -1.958 2.721 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.430 -3.008 0.531 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.301 -3.587 1.779 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.758 -2.399 0.571 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.346 -0.749 0.629 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.722 -0.024 0.674 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.902 0.357 1.950 1.00 0.95 H new ATOM 1326 N ALA A 87 2.478 -0.510 4.752 1.00 0.28 N ATOM 1327 CA ALA A 87 3.045 0.414 5.727 1.00 0.32 C ATOM 1328 C ALA A 87 4.526 0.162 5.959 1.00 0.46 C ATOM 1329 O ALA A 87 4.953 -0.983 6.105 1.00 0.75 O ATOM 1330 CB ALA A 87 2.287 0.337 7.044 1.00 0.42 C ATOM 0 H ALA A 87 2.966 -1.402 4.668 1.00 0.28 H new ATOM 0 HA ALA A 87 2.942 1.418 5.314 1.00 0.32 H new ATOM 0 HB1 ALA A 87 2.726 1.034 7.758 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.242 0.598 6.878 1.00 0.42 H new ATOM 0 HB3 ALA A 87 2.350 -0.676 7.441 1.00 0.42 H new ATOM 1336 N ALA A 88 5.293 1.249 5.968 1.00 0.37 N ATOM 1337 CA ALA A 88 6.719 1.217 6.337 1.00 0.59 C ATOM 1338 C ALA A 88 7.495 0.149 5.555 1.00 0.53 C ATOM 1339 O ALA A 88 7.470 0.134 4.322 1.00 1.14 O ATOM 1340 CB ALA A 88 6.864 1.009 7.840 1.00 1.18 C ATOM 0 H ALA A 88 4.952 2.178 5.722 1.00 0.37 H new ATOM 0 HA ALA A 88 7.155 2.179 6.069 1.00 0.59 H new ATOM 0 HB1 ALA A 88 7.921 0.987 8.104 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.375 1.827 8.369 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.399 0.065 8.123 1.00 1.18 H new ATOM 1346 N ASP A 89 8.178 -0.739 6.269 1.00 0.56 N ATOM 1347 CA ASP A 89 8.961 -1.794 5.632 1.00 0.93 C ATOM 1348 C ASP A 89 8.244 -3.126 5.765 1.00 0.85 C ATOM 1349 O ASP A 89 8.769 -4.169 5.374 1.00 1.24 O ATOM 1350 CB ASP A 89 10.364 -1.895 6.246 1.00 1.44 C ATOM 1351 CG ASP A 89 10.367 -2.505 7.637 1.00 1.68 C ATOM 1352 OD1 ASP A 89 9.978 -1.812 8.598 1.00 1.90 O ATOM 1353 OD2 ASP A 89 10.772 -3.681 7.776 1.00 2.01 O ATOM 0 H ASP A 89 8.206 -0.750 7.289 1.00 0.56 H new ATOM 0 HA ASP A 89 9.069 -1.542 4.577 1.00 0.93 H new ATOM 0 HB2 ASP A 89 10.997 -2.495 5.592 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.806 -0.900 6.292 1.00 1.44 H new ATOM 1358 N ASP A 90 7.034 -3.081 6.314 1.00 0.48 N ATOM 1359 CA ASP A 90 6.228 -4.283 6.508 1.00 0.46 C ATOM 1360 C ASP A 90 5.947 -4.933 5.168 1.00 0.45 C ATOM 1361 O ASP A 90 5.860 -6.157 5.050 1.00 0.69 O ATOM 1362 CB ASP A 90 4.905 -3.933 7.187 1.00 0.52 C ATOM 1363 CG ASP A 90 4.319 -5.082 7.977 1.00 0.74 C ATOM 1364 OD1 ASP A 90 5.092 -5.898 8.524 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.080 -5.137 8.096 1.00 1.09 O ATOM 0 H ASP A 90 6.588 -2.221 6.634 1.00 0.48 H new ATOM 0 HA ASP A 90 6.782 -4.974 7.143 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.059 -3.084 7.853 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.187 -3.618 6.430 1.00 0.52 H new ATOM 1370 N GLY A 91 5.830 -4.086 4.155 1.00 0.36 N ATOM 1371 CA GLY A 91 5.569 -4.551 2.818 1.00 0.36 C ATOM 1372 C GLY A 91 4.186 -5.130 2.691 1.00 0.35 C ATOM 1373 O GLY A 91 3.218 -4.559 3.189 1.00 0.52 O ATOM 0 H GLY A 91 5.913 -3.073 4.243 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.684 -3.725 2.116 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.306 -5.306 2.545 1.00 0.36 H new ATOM 1377 N VAL A 92 4.098 -6.267 2.046 1.00 0.38 N ATOM 1378 CA VAL A 92 2.838 -6.886 1.755 1.00 0.37 C ATOM 1379 C VAL A 92 2.561 -8.041 2.713 1.00 0.36 C ATOM 1380 O VAL A 92 3.141 -9.124 2.592 1.00 0.47 O ATOM 1381 CB VAL A 92 2.861 -7.371 0.300 1.00 0.47 C ATOM 1382 CG1 VAL A 92 1.661 -8.215 -0.023 1.00 1.08 C ATOM 1383 CG2 VAL A 92 2.936 -6.189 -0.641 1.00 1.06 C ATOM 0 H VAL A 92 4.907 -6.789 1.708 1.00 0.38 H new ATOM 0 HA VAL A 92 2.034 -6.162 1.888 1.00 0.37 H new ATOM 0 HB VAL A 92 3.747 -7.992 0.171 1.00 0.47 H new ATOM 0 HG11 VAL A 92 1.713 -8.539 -1.062 1.00 1.08 H new ATOM 0 HG12 VAL A 92 1.644 -9.088 0.629 1.00 1.08 H new ATOM 0 HG13 VAL A 92 0.754 -7.631 0.129 1.00 1.08 H new ATOM 0 HG21 VAL A 92 2.952 -6.545 -1.671 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.066 -5.549 -0.491 1.00 1.06 H new ATOM 0 HG23 VAL A 92 3.844 -5.620 -0.439 1.00 1.06 H new ATOM 1393 N MET A 93 1.681 -7.794 3.676 1.00 0.29 N ATOM 1394 CA MET A 93 1.279 -8.810 4.640 1.00 0.31 C ATOM 1395 C MET A 93 0.374 -9.849 3.981 1.00 0.31 C ATOM 1396 O MET A 93 -0.032 -9.671 2.832 1.00 0.31 O ATOM 1397 CB MET A 93 0.560 -8.146 5.815 1.00 0.36 C ATOM 1398 CG MET A 93 1.491 -7.393 6.746 1.00 0.67 C ATOM 1399 SD MET A 93 2.518 -8.492 7.740 1.00 1.32 S ATOM 1400 CE MET A 93 1.290 -9.214 8.824 1.00 0.65 C ATOM 0 H MET A 93 1.229 -6.890 3.810 1.00 0.29 H new ATOM 0 HA MET A 93 2.169 -9.321 5.007 1.00 0.31 H new ATOM 0 HB2 MET A 93 -0.191 -7.456 5.429 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.029 -8.909 6.384 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.132 -6.736 6.159 1.00 0.67 H new ATOM 0 HG3 MET A 93 0.902 -6.757 7.406 1.00 0.67 H new ATOM 0 HE1 MET A 93 1.519 -8.955 9.858 1.00 0.65 H new ATOM 0 HE2 MET A 93 0.304 -8.830 8.564 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.298 -10.298 8.712 1.00 0.65 H new ATOM 1410 N PRO A 94 0.068 -10.960 4.684 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.856 -11.982 4.189 1.00 0.42 C ATOM 1412 C PRO A 94 -2.101 -11.395 3.532 1.00 0.39 C ATOM 1413 O PRO A 94 -2.435 -11.745 2.398 1.00 0.42 O ATOM 1414 CB PRO A 94 -1.226 -12.743 5.458 1.00 0.52 C ATOM 1415 CG PRO A 94 -0.004 -12.664 6.302 1.00 0.61 C ATOM 1416 CD PRO A 94 0.637 -11.334 5.997 1.00 0.46 C ATOM 0 HA PRO A 94 -0.405 -12.597 3.410 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -2.084 -12.292 5.957 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -1.492 -13.777 5.239 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -0.257 -12.740 7.360 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.677 -13.484 6.077 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.402 -10.592 6.761 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.723 -11.414 5.954 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.768 -10.483 4.232 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.977 -9.868 3.723 1.00 0.43 C ATOM 1426 C GLN A 95 -3.681 -9.053 2.472 1.00 0.36 C ATOM 1427 O GLN A 95 -4.468 -9.041 1.526 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.619 -8.977 4.784 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.753 -9.646 6.135 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.780 -8.965 7.019 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.003 -7.754 6.921 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.410 -9.740 7.888 1.00 1.47 N ATOM 0 H GLN A 95 -2.486 -10.156 5.156 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.675 -10.665 3.466 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -4.024 -8.070 4.894 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.607 -8.670 4.440 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -5.034 -10.690 5.994 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.786 -9.641 6.637 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -6.193 -10.736 7.934 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.112 -9.341 8.512 1.00 1.47 H new ATOM 1441 N THR A 96 -2.529 -8.386 2.470 1.00 0.33 N ATOM 1442 CA THR A 96 -2.126 -7.566 1.347 1.00 0.31 C ATOM 1443 C THR A 96 -1.965 -8.426 0.089 1.00 0.29 C ATOM 1444 O THR A 96 -2.288 -7.996 -1.019 1.00 0.34 O ATOM 1445 CB THR A 96 -0.811 -6.835 1.671 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.839 -6.378 3.032 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.605 -5.649 0.749 1.00 0.46 C ATOM 0 H THR A 96 -1.861 -8.402 3.240 1.00 0.33 H new ATOM 0 HA THR A 96 -2.901 -6.823 1.159 1.00 0.31 H new ATOM 0 HB THR A 96 0.013 -7.533 1.527 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.589 -5.431 3.064 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.331 -5.151 1.000 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.567 -5.994 -0.284 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.432 -4.948 0.867 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.492 -9.657 0.276 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.363 -10.600 -0.814 1.00 0.39 C ATOM 1457 C VAL A 97 -2.723 -11.135 -1.224 1.00 0.34 C ATOM 1458 O VAL A 97 -3.060 -11.120 -2.395 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.472 -11.790 -0.419 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.600 -12.913 -1.425 1.00 1.00 C ATOM 1461 CG2 VAL A 97 0.964 -11.357 -0.311 1.00 1.05 C ATOM 0 H VAL A 97 -1.192 -10.019 1.181 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.906 -10.066 -1.647 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.805 -12.155 0.553 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.039 -13.744 -1.126 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.636 -13.248 -1.466 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.295 -12.557 -2.409 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.581 -12.211 -0.031 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.299 -10.966 -1.272 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.054 -10.580 0.448 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.487 -11.607 -0.247 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.805 -12.193 -0.491 1.00 0.40 C ATOM 1473 C GLU A 98 -5.687 -11.262 -1.308 1.00 0.34 C ATOM 1474 O GLU A 98 -6.516 -11.707 -2.103 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.494 -12.491 0.842 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.975 -13.726 1.553 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.801 -14.950 1.231 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.506 -15.613 0.213 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -6.726 -15.271 2.004 1.00 1.62 O ATOM 0 H GLU A 98 -3.214 -11.596 0.736 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.659 -13.114 -1.055 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.373 -11.630 1.500 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.563 -12.610 0.666 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -3.938 -13.902 1.266 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -4.983 -13.555 2.630 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.480 -9.969 -1.132 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.295 -8.975 -1.795 1.00 0.27 C ATOM 1488 C ALA A 99 -5.812 -8.777 -3.215 1.00 0.25 C ATOM 1489 O ALA A 99 -6.604 -8.617 -4.135 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.259 -7.666 -1.027 1.00 0.31 C ATOM 0 H ALA A 99 -4.750 -9.585 -0.532 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.327 -9.323 -1.824 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.877 -6.927 -1.538 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.642 -7.825 -0.019 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.232 -7.305 -0.972 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.501 -8.820 -3.385 1.00 0.25 N ATOM 1497 CA ILE A 100 -3.882 -8.685 -4.688 1.00 0.24 C ATOM 1498 C ILE A 100 -4.046 -9.972 -5.493 1.00 0.28 C ATOM 1499 O ILE A 100 -4.280 -9.940 -6.695 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.401 -8.318 -4.512 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.233 -6.803 -4.603 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.513 -9.042 -5.504 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.833 -6.311 -4.306 1.00 0.38 C ATOM 0 H ILE A 100 -3.838 -8.950 -2.621 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.374 -7.887 -5.245 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.081 -8.647 -3.523 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.515 -6.478 -5.605 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.926 -6.330 -3.908 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.475 -8.752 -5.342 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.615 -10.118 -5.365 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -1.810 -8.777 -6.519 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.803 -5.225 -4.393 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.552 -6.602 -3.294 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.134 -6.752 -5.017 1.00 0.38 H new ATOM 1515 N ASN A 101 -3.948 -11.094 -4.802 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.196 -12.399 -5.367 1.00 0.38 C ATOM 1517 C ASN A 101 -5.603 -12.449 -5.948 1.00 0.37 C ATOM 1518 O ASN A 101 -5.859 -13.085 -6.970 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.026 -13.436 -4.251 1.00 0.46 C ATOM 1520 CG ASN A 101 -4.884 -14.654 -4.446 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.510 -15.601 -5.136 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -6.039 -14.640 -3.811 1.00 1.55 N ATOM 0 H ASN A 101 -3.689 -11.119 -3.816 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.495 -12.612 -6.174 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -2.980 -13.739 -4.201 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.271 -12.975 -3.294 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -6.669 -15.440 -3.880 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -6.303 -13.830 -3.251 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.506 -11.749 -5.279 1.00 0.33 N ATOM 1530 CA HIS A 102 -7.891 -11.667 -5.704 1.00 0.38 C ATOM 1531 C HIS A 102 -8.069 -10.560 -6.740 1.00 0.38 C ATOM 1532 O HIS A 102 -8.928 -10.649 -7.618 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.782 -11.396 -4.490 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.242 -11.539 -4.775 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.941 -12.709 -4.571 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.135 -10.650 -5.255 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.200 -12.531 -4.919 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.346 -11.288 -5.339 1.00 0.77 N ATOM 0 H HIS A 102 -6.299 -11.224 -4.429 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.177 -12.614 -6.161 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.508 -12.082 -3.688 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.589 -10.387 -4.126 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -10.933 -9.624 -5.524 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.980 -13.276 -4.869 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.216 -10.871 -5.671 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.252 -9.523 -6.633 1.00 0.32 N ATOM 1548 CA ALA A 103 -7.406 -8.340 -7.466 1.00 0.38 C ATOM 1549 C ALA A 103 -6.769 -8.523 -8.834 1.00 0.40 C ATOM 1550 O ALA A 103 -7.399 -8.282 -9.857 1.00 0.48 O ATOM 1551 CB ALA A 103 -6.783 -7.137 -6.781 1.00 0.43 C ATOM 0 H ALA A 103 -6.474 -9.477 -5.976 1.00 0.32 H new ATOM 0 HA ALA A 103 -8.475 -8.179 -7.607 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -6.903 -6.256 -7.412 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.276 -6.968 -5.824 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -5.722 -7.322 -6.615 1.00 0.43 H new ATOM 1557 N LYS A 104 -5.531 -8.986 -8.829 1.00 0.40 N ATOM 1558 CA LYS A 104 -4.658 -8.951 -9.998 1.00 0.51 C ATOM 1559 C LYS A 104 -5.287 -9.582 -11.247 1.00 0.50 C ATOM 1560 O LYS A 104 -4.954 -9.205 -12.368 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.346 -9.657 -9.643 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.440 -11.173 -9.676 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.294 -11.824 -8.924 1.00 1.57 C ATOM 1564 CE LYS A 104 -0.935 -11.381 -9.449 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.785 -11.639 -10.905 1.00 2.56 N ATOM 0 H LYS A 104 -5.095 -9.402 -8.006 1.00 0.40 H new ATOM 0 HA LYS A 104 -4.481 -7.906 -10.253 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -2.571 -9.335 -10.338 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.032 -9.343 -8.647 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.387 -11.488 -9.239 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.437 -11.515 -10.711 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.370 -11.577 -7.865 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.377 -12.908 -9.006 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -0.801 -10.317 -9.255 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -0.149 -11.905 -8.906 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 0.192 -11.433 -11.195 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -1.003 -12.636 -11.105 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -1.439 -11.029 -11.435 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.199 -10.524 -11.060 1.00 0.51 N ATOM 1580 CA ALA A 105 -6.741 -11.272 -12.185 1.00 0.61 C ATOM 1581 C ALA A 105 -8.063 -10.706 -12.699 1.00 0.66 C ATOM 1582 O ALA A 105 -8.731 -11.330 -13.523 1.00 0.76 O ATOM 1583 CB ALA A 105 -6.893 -12.738 -11.815 1.00 0.72 C ATOM 0 H ALA A 105 -6.577 -10.787 -10.150 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.027 -11.175 -13.003 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.299 -13.287 -12.664 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -5.919 -13.149 -11.549 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.570 -12.831 -10.966 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.437 -9.523 -12.240 1.00 0.62 N ATOM 1590 CA ALA A 106 -9.653 -8.895 -12.721 1.00 0.70 C ATOM 1591 C ALA A 106 -9.303 -7.897 -13.808 1.00 0.72 C ATOM 1592 O ALA A 106 -10.168 -7.185 -14.319 1.00 0.90 O ATOM 1593 CB ALA A 106 -10.408 -8.223 -11.583 1.00 0.75 C ATOM 0 H ALA A 106 -7.922 -8.985 -11.543 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.310 -9.659 -13.137 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.315 -7.760 -11.972 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -10.673 -8.968 -10.833 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -9.777 -7.459 -11.129 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.001 -7.843 -14.121 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.479 -7.020 -15.207 1.00 0.73 C ATOM 1601 C ASN A 107 -7.575 -5.577 -14.780 1.00 0.67 C ATOM 1602 O ASN A 107 -8.028 -4.689 -15.505 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.225 -7.298 -16.497 1.00 0.92 C ATOM 1604 CG ASN A 107 -7.552 -6.708 -17.724 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -6.624 -7.294 -18.283 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -8.031 -5.555 -18.164 1.00 2.06 N ATOM 0 H ASN A 107 -7.284 -8.372 -13.624 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.435 -7.259 -15.409 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -8.320 -8.376 -16.627 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.235 -6.896 -16.417 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -7.630 -5.120 -18.995 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -8.801 -5.102 -17.672 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.130 -5.376 -13.559 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.333 -4.143 -12.847 1.00 0.49 C ATOM 1615 C VAL A 108 -6.023 -3.617 -12.271 1.00 0.40 C ATOM 1616 O VAL A 108 -5.174 -4.399 -11.837 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.336 -4.383 -11.702 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -8.121 -5.744 -11.074 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.188 -3.325 -10.651 1.00 1.08 C ATOM 0 H VAL A 108 -6.611 -6.076 -13.030 1.00 0.55 H new ATOM 0 HA VAL A 108 -7.722 -3.400 -13.543 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.341 -4.341 -12.122 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -8.840 -5.891 -10.268 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -8.258 -6.519 -11.829 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -7.109 -5.804 -10.672 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -8.903 -3.507 -9.848 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.175 -3.351 -10.248 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.378 -2.346 -11.091 1.00 1.08 H new ATOM 1629 N PRO A 109 -5.839 -2.288 -12.276 1.00 0.39 N ATOM 1630 CA PRO A 109 -4.708 -1.652 -11.613 1.00 0.35 C ATOM 1631 C PRO A 109 -4.760 -1.778 -10.099 1.00 0.30 C ATOM 1632 O PRO A 109 -5.825 -1.916 -9.496 1.00 0.34 O ATOM 1633 CB PRO A 109 -4.822 -0.178 -11.998 1.00 0.43 C ATOM 1634 CG PRO A 109 -5.757 -0.145 -13.147 1.00 0.51 C ATOM 1635 CD PRO A 109 -6.691 -1.304 -12.955 1.00 0.48 C ATOM 0 HA PRO A 109 -3.773 -2.122 -11.918 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.199 0.418 -11.167 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -3.850 0.234 -12.270 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.305 0.797 -13.177 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.218 -0.230 -14.091 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.557 -1.032 -12.352 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.070 -1.682 -13.905 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.599 -1.676 -9.501 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.449 -1.808 -8.059 1.00 0.25 C ATOM 1645 C ILE A 110 -2.761 -0.562 -7.510 1.00 0.23 C ATOM 1646 O ILE A 110 -1.873 -0.008 -8.160 1.00 0.26 O ATOM 1647 CB ILE A 110 -2.658 -3.089 -7.700 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -3.502 -4.334 -8.009 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.246 -3.086 -6.238 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -2.724 -5.633 -7.963 1.00 0.96 C ATOM 0 H ILE A 110 -2.724 -1.499 -9.995 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.434 -1.900 -7.602 1.00 0.25 H new ATOM 0 HB ILE A 110 -1.753 -3.111 -8.307 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -4.324 -4.389 -7.295 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -3.946 -4.223 -8.998 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.692 -3.998 -6.014 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.615 -2.220 -6.040 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -3.135 -3.038 -5.609 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -3.390 -6.465 -8.192 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -1.918 -5.601 -8.697 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -2.303 -5.770 -6.967 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.177 -0.097 -6.337 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.687 1.178 -5.836 1.00 0.25 C ATOM 1664 C ILE A 111 -2.109 1.035 -4.466 1.00 0.32 C ATOM 1665 O ILE A 111 -2.820 1.087 -3.471 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.799 2.235 -5.775 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.498 2.358 -7.118 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -3.241 3.575 -5.331 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.987 2.325 -6.960 1.00 0.53 C ATOM 0 H ILE A 111 -3.840 -0.575 -5.726 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.917 1.502 -6.536 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.536 1.914 -5.039 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.202 3.289 -7.601 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -4.181 1.545 -7.771 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -4.045 4.310 -5.294 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.796 3.474 -4.341 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.480 3.905 -6.038 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.459 2.415 -7.938 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.283 1.382 -6.500 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.304 3.153 -6.327 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.817 0.885 -4.427 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.115 0.767 -3.185 1.00 0.20 C ATOM 1683 C VAL A 112 -0.212 2.056 -2.405 1.00 0.20 C ATOM 1684 O VAL A 112 -0.131 3.140 -2.970 1.00 0.23 O ATOM 1685 CB VAL A 112 1.360 0.457 -3.409 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.835 -0.555 -2.418 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.600 -0.055 -4.806 1.00 0.22 C ATOM 0 H VAL A 112 -0.222 0.841 -5.255 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.576 -0.050 -2.630 1.00 0.20 H new ATOM 0 HB VAL A 112 1.919 1.383 -3.276 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.890 -0.766 -2.591 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.703 -0.165 -1.409 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.258 -1.473 -2.531 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.661 -0.268 -4.938 1.00 0.22 H new ATOM 0 HG22 VAL A 112 1.024 -0.967 -4.963 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.289 0.699 -5.529 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.391 1.928 -1.118 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.373 3.059 -0.240 1.00 0.21 C ATOM 1699 C ALA A 113 0.668 2.806 0.818 1.00 0.21 C ATOM 1700 O ALA A 113 0.393 2.208 1.851 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.739 3.294 0.376 1.00 0.25 C ATOM 0 H ALA A 113 -0.553 1.035 -0.652 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.124 3.962 -0.797 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.696 4.159 1.038 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.468 3.478 -0.414 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.037 2.415 0.947 1.00 0.25 H new ATOM 1707 N ILE A 114 1.875 3.224 0.508 1.00 0.21 N ATOM 1708 CA ILE A 114 2.998 3.133 1.426 1.00 0.24 C ATOM 1709 C ILE A 114 2.768 4.041 2.632 1.00 0.25 C ATOM 1710 O ILE A 114 3.212 5.189 2.639 1.00 0.30 O ATOM 1711 CB ILE A 114 4.299 3.568 0.724 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.398 2.982 -0.691 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.490 3.147 1.551 1.00 0.36 C ATOM 1714 CD1 ILE A 114 4.591 1.483 -0.727 1.00 0.85 C ATOM 0 H ILE A 114 2.111 3.640 -0.393 1.00 0.21 H new ATOM 0 HA ILE A 114 3.085 2.097 1.754 1.00 0.24 H new ATOM 0 HB ILE A 114 4.289 4.654 0.630 1.00 0.28 H new ATOM 0 HG12 ILE A 114 3.491 3.234 -1.241 1.00 0.32 H new ATOM 0 HG13 ILE A 114 5.229 3.457 -1.212 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.408 3.456 1.051 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.435 3.617 2.533 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.488 2.063 1.667 1.00 0.36 H new ATOM 0 HD11 ILE A 114 4.651 1.149 -1.763 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.513 1.222 -0.207 1.00 0.85 H new ATOM 0 HD13 ILE A 114 3.748 0.996 -0.237 1.00 0.85 H new ATOM 1726 N ASN A 115 2.081 3.536 3.652 1.00 0.26 N ATOM 1727 CA ASN A 115 1.649 4.382 4.755 1.00 0.31 C ATOM 1728 C ASN A 115 2.761 4.541 5.778 1.00 0.37 C ATOM 1729 O ASN A 115 3.585 3.641 5.959 1.00 0.39 O ATOM 1730 CB ASN A 115 0.387 3.810 5.412 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.170 4.706 6.509 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.021 5.932 6.472 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.824 4.100 7.490 1.00 0.69 N ATOM 0 H ASN A 115 1.814 2.555 3.736 1.00 0.26 H new ATOM 0 HA ASN A 115 1.410 5.368 4.356 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.377 3.661 4.649 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.615 2.830 5.831 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.226 4.649 8.250 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -0.926 3.085 7.484 1.00 0.69 H new ATOM 1740 N LYS A 116 2.780 5.705 6.425 1.00 0.49 N ATOM 1741 CA LYS A 116 3.790 6.039 7.422 1.00 0.62 C ATOM 1742 C LYS A 116 5.183 6.022 6.806 1.00 0.57 C ATOM 1743 O LYS A 116 6.166 5.693 7.461 1.00 0.67 O ATOM 1744 CB LYS A 116 3.706 5.084 8.618 1.00 0.78 C ATOM 1745 CG LYS A 116 2.404 5.221 9.395 1.00 1.15 C ATOM 1746 CD LYS A 116 2.273 4.170 10.486 1.00 1.50 C ATOM 1747 CE LYS A 116 0.984 4.360 11.272 1.00 2.05 C ATOM 1748 NZ LYS A 116 0.738 3.251 12.227 1.00 2.61 N ATOM 0 H LYS A 116 2.093 6.443 6.271 1.00 0.49 H new ATOM 0 HA LYS A 116 3.595 7.049 7.782 1.00 0.62 H new ATOM 0 HB2 LYS A 116 3.806 4.058 8.265 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.545 5.274 9.288 1.00 0.78 H new ATOM 0 HG2 LYS A 116 2.352 6.214 9.841 1.00 1.15 H new ATOM 0 HG3 LYS A 116 1.562 5.136 8.708 1.00 1.15 H new ATOM 0 HD2 LYS A 116 2.289 3.175 10.042 1.00 1.50 H new ATOM 0 HD3 LYS A 116 3.127 4.232 11.160 1.00 1.50 H new ATOM 0 HE2 LYS A 116 1.029 5.303 11.817 1.00 2.05 H new ATOM 0 HE3 LYS A 116 0.146 4.432 10.579 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 -0.150 3.424 12.739 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 0.668 2.354 11.706 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 1.524 3.197 12.906 1.00 2.61 H new ATOM 1762 N MET A 117 5.258 6.401 5.540 1.00 0.58 N ATOM 1763 CA MET A 117 6.527 6.424 4.831 1.00 0.69 C ATOM 1764 C MET A 117 7.218 7.768 5.041 1.00 0.81 C ATOM 1765 O MET A 117 8.330 7.994 4.566 1.00 1.03 O ATOM 1766 CB MET A 117 6.303 6.135 3.342 1.00 0.85 C ATOM 1767 CG MET A 117 5.905 7.339 2.504 1.00 0.81 C ATOM 1768 SD MET A 117 7.327 8.135 1.733 1.00 1.37 S ATOM 1769 CE MET A 117 8.160 6.703 1.047 1.00 0.65 C ATOM 0 H MET A 117 4.456 6.696 4.983 1.00 0.58 H new ATOM 0 HA MET A 117 7.178 5.646 5.229 1.00 0.69 H new ATOM 0 HB2 MET A 117 7.218 5.711 2.929 1.00 0.85 H new ATOM 0 HB3 MET A 117 5.528 5.374 3.248 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.204 7.025 1.731 1.00 0.81 H new ATOM 0 HG3 MET A 117 5.384 8.061 3.133 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.672 6.986 0.127 1.00 0.65 H new ATOM 0 HE2 MET A 117 8.887 6.326 1.766 1.00 0.65 H new ATOM 0 HE3 MET A 117 7.428 5.925 0.830 1.00 0.65 H new ATOM 1852 N ASN A 123 10.952 1.715 3.127 1.00 0.59 N ATOM 1853 CA ASN A 123 12.018 1.634 2.131 1.00 0.57 C ATOM 1854 C ASN A 123 11.487 1.134 0.809 1.00 0.46 C ATOM 1855 O ASN A 123 11.440 -0.070 0.554 1.00 0.52 O ATOM 1856 CB ASN A 123 13.162 0.739 2.611 1.00 0.85 C ATOM 1857 CG ASN A 123 14.397 0.865 1.737 1.00 1.28 C ATOM 1858 OD1 ASN A 123 14.561 0.143 0.750 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.282 1.777 2.105 1.00 1.84 N ATOM 0 HA ASN A 123 12.408 2.642 1.991 1.00 0.57 H new ATOM 0 HB2 ASN A 123 13.418 1.000 3.638 1.00 0.85 H new ATOM 0 HB3 ASN A 123 12.830 -0.299 2.619 1.00 0.85 H new ATOM 0 HD21 ASN A 123 16.138 1.903 1.566 1.00 1.84 H new ATOM 0 HD22 ASN A 123 15.108 2.354 2.928 1.00 1.84 H new ATOM 1866 N PRO A 124 11.049 2.098 -0.011 1.00 0.41 N ATOM 1867 CA PRO A 124 10.628 1.928 -1.387 1.00 0.47 C ATOM 1868 C PRO A 124 11.038 0.623 -2.072 1.00 0.42 C ATOM 1869 O PRO A 124 10.258 -0.323 -2.094 1.00 0.40 O ATOM 1870 CB PRO A 124 11.351 3.124 -1.967 1.00 0.66 C ATOM 1871 CG PRO A 124 11.004 4.212 -1.010 1.00 0.70 C ATOM 1872 CD PRO A 124 10.926 3.534 0.340 1.00 0.46 C ATOM 0 HA PRO A 124 9.547 1.871 -1.511 1.00 0.47 H new ATOM 0 HB2 PRO A 124 12.427 2.960 -2.021 1.00 0.66 H new ATOM 0 HB3 PRO A 124 11.012 3.351 -2.978 1.00 0.66 H new ATOM 0 HG2 PRO A 124 11.760 4.998 -1.014 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.055 4.681 -1.272 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.727 3.859 1.004 1.00 0.46 H new ATOM 0 HD3 PRO A 124 9.985 3.748 0.847 1.00 0.46 H new ATOM 1880 N ASP A 125 12.270 0.576 -2.582 1.00 0.45 N ATOM 1881 CA ASP A 125 12.742 -0.509 -3.464 1.00 0.45 C ATOM 1882 C ASP A 125 12.324 -1.875 -2.969 1.00 0.38 C ATOM 1883 O ASP A 125 11.684 -2.623 -3.691 1.00 0.33 O ATOM 1884 CB ASP A 125 14.267 -0.486 -3.553 1.00 0.56 C ATOM 1885 CG ASP A 125 14.815 0.867 -3.945 1.00 1.16 C ATOM 1886 OD1 ASP A 125 15.058 1.698 -3.048 1.00 2.00 O ATOM 1887 OD2 ASP A 125 15.004 1.100 -5.156 1.00 1.28 O ATOM 0 H ASP A 125 12.976 1.289 -2.398 1.00 0.45 H new ATOM 0 HA ASP A 125 12.289 -0.336 -4.440 1.00 0.45 H new ATOM 0 HB2 ASP A 125 14.686 -0.776 -2.590 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.594 -1.229 -4.280 1.00 0.56 H new ATOM 1892 N ARG A 126 12.674 -2.183 -1.733 1.00 0.40 N ATOM 1893 CA ARG A 126 12.406 -3.499 -1.175 1.00 0.40 C ATOM 1894 C ARG A 126 10.925 -3.829 -1.259 1.00 0.34 C ATOM 1895 O ARG A 126 10.517 -4.786 -1.919 1.00 0.32 O ATOM 1896 CB ARG A 126 12.846 -3.544 0.281 1.00 0.47 C ATOM 1897 CG ARG A 126 12.486 -4.845 0.955 1.00 0.58 C ATOM 1898 CD ARG A 126 13.207 -6.012 0.318 1.00 1.25 C ATOM 1899 NE ARG A 126 12.926 -7.262 1.018 1.00 1.38 N ATOM 1900 CZ ARG A 126 12.203 -8.255 0.506 1.00 2.08 C ATOM 1901 NH1 ARG A 126 11.783 -8.196 -0.755 1.00 2.99 N ATOM 1902 NH2 ARG A 126 11.911 -9.311 1.254 1.00 2.15 N ATOM 0 H ARG A 126 13.145 -1.541 -1.095 1.00 0.40 H new ATOM 0 HA ARG A 126 12.966 -4.234 -1.753 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.925 -3.397 0.336 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.384 -2.718 0.822 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.741 -4.791 2.013 1.00 0.58 H new ATOM 0 HG3 ARG A 126 11.409 -5.003 0.894 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.904 -6.102 -0.725 1.00 1.25 H new ATOM 0 HD3 ARG A 126 14.281 -5.824 0.323 1.00 1.25 H new ATOM 0 HE ARG A 126 13.307 -7.381 1.957 1.00 1.38 H new ATOM 0 HH11 ARG A 126 12.015 -7.388 -1.333 1.00 2.99 H new ATOM 0 HH12 ARG A 126 11.229 -8.959 -1.144 1.00 2.99 H new ATOM 0 HH21 ARG A 126 12.240 -9.360 2.218 1.00 2.15 H new ATOM 0 HH22 ARG A 126 11.357 -10.074 0.865 1.00 2.15 H new ATOM 1916 N VAL A 127 10.146 -3.016 -0.576 1.00 0.34 N ATOM 1917 CA VAL A 127 8.689 -3.136 -0.568 1.00 0.34 C ATOM 1918 C VAL A 127 8.149 -3.189 -1.996 1.00 0.31 C ATOM 1919 O VAL A 127 7.389 -4.079 -2.357 1.00 0.33 O ATOM 1920 CB VAL A 127 8.046 -1.938 0.161 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.546 -2.136 0.308 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.706 -1.720 1.513 1.00 0.40 C ATOM 0 H VAL A 127 10.500 -2.248 -0.006 1.00 0.34 H new ATOM 0 HA VAL A 127 8.436 -4.058 -0.045 1.00 0.34 H new ATOM 0 HB VAL A 127 8.205 -1.043 -0.441 1.00 0.37 H new ATOM 0 HG11 VAL A 127 6.115 -1.279 0.825 1.00 0.39 H new ATOM 0 HG12 VAL A 127 6.093 -2.230 -0.679 1.00 0.39 H new ATOM 0 HG13 VAL A 127 6.353 -3.041 0.884 1.00 0.39 H new ATOM 0 HG21 VAL A 127 8.240 -0.871 2.013 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.584 -2.613 2.126 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.768 -1.519 1.371 1.00 0.40 H new ATOM 1932 N MET A 128 8.590 -2.247 -2.815 1.00 0.28 N ATOM 1933 CA MET A 128 8.083 -2.096 -4.174 1.00 0.26 C ATOM 1934 C MET A 128 8.457 -3.283 -5.058 1.00 0.25 C ATOM 1935 O MET A 128 7.692 -3.666 -5.947 1.00 0.25 O ATOM 1936 CB MET A 128 8.609 -0.794 -4.780 1.00 0.25 C ATOM 1937 CG MET A 128 8.201 0.442 -3.994 1.00 0.27 C ATOM 1938 SD MET A 128 8.959 1.955 -4.604 1.00 0.30 S ATOM 1939 CE MET A 128 8.274 2.026 -6.250 1.00 0.29 C ATOM 0 H MET A 128 9.306 -1.567 -2.560 1.00 0.28 H new ATOM 0 HA MET A 128 6.995 -2.061 -4.124 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.697 -0.840 -4.834 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.243 -0.703 -5.803 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.117 0.546 -4.031 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.472 0.304 -2.947 1.00 0.27 H new ATOM 0 HE1 MET A 128 9.031 2.393 -6.943 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.956 1.029 -6.555 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.417 2.699 -6.259 1.00 0.29 H new ATOM 1949 N GLN A 129 9.620 -3.876 -4.814 1.00 0.25 N ATOM 1950 CA GLN A 129 10.063 -5.015 -5.606 1.00 0.26 C ATOM 1951 C GLN A 129 9.314 -6.258 -5.180 1.00 0.29 C ATOM 1952 O GLN A 129 9.131 -7.182 -5.965 1.00 0.31 O ATOM 1953 CB GLN A 129 11.568 -5.232 -5.475 1.00 0.29 C ATOM 1954 CG GLN A 129 12.400 -4.211 -6.234 1.00 0.31 C ATOM 1955 CD GLN A 129 13.862 -4.248 -5.839 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.204 -4.587 -4.706 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.733 -3.889 -6.766 1.00 1.28 N ATOM 0 H GLN A 129 10.268 -3.589 -4.080 1.00 0.25 H new ATOM 0 HA GLN A 129 9.848 -4.806 -6.654 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.841 -5.198 -4.420 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.815 -6.230 -5.836 1.00 0.29 H new ATOM 0 HG2 GLN A 129 12.311 -4.397 -7.304 1.00 0.31 H new ATOM 0 HG3 GLN A 129 12.002 -3.213 -6.050 1.00 0.31 H new ATOM 0 HE21 GLN A 129 14.407 -3.615 -7.693 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.731 -3.886 -6.554 1.00 1.28 H new ATOM 1966 N GLU A 130 8.865 -6.265 -3.938 1.00 0.33 N ATOM 1967 CA GLU A 130 8.055 -7.357 -3.447 1.00 0.38 C ATOM 1968 C GLU A 130 6.675 -7.291 -4.096 1.00 0.33 C ATOM 1969 O GLU A 130 6.063 -8.320 -4.366 1.00 0.36 O ATOM 1970 CB GLU A 130 7.980 -7.327 -1.914 1.00 0.48 C ATOM 1971 CG GLU A 130 6.640 -6.907 -1.337 1.00 0.71 C ATOM 1972 CD GLU A 130 6.645 -6.916 0.177 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.225 -5.994 0.778 1.00 2.02 O ATOM 1974 OE2 GLU A 130 6.072 -7.848 0.779 1.00 1.46 O ATOM 0 H GLU A 130 9.048 -5.529 -3.256 1.00 0.33 H new ATOM 0 HA GLU A 130 8.512 -8.309 -3.719 1.00 0.38 H new ATOM 0 HB2 GLU A 130 8.225 -8.319 -1.535 1.00 0.48 H new ATOM 0 HB3 GLU A 130 8.746 -6.646 -1.543 1.00 0.48 H new ATOM 0 HG2 GLU A 130 6.390 -5.907 -1.693 1.00 0.71 H new ATOM 0 HG3 GLU A 130 5.862 -7.579 -1.701 1.00 0.71 H new ATOM 1981 N LEU A 131 6.211 -6.076 -4.411 1.00 0.29 N ATOM 1982 CA LEU A 131 4.936 -5.915 -5.101 1.00 0.29 C ATOM 1983 C LEU A 131 5.050 -6.436 -6.503 1.00 0.24 C ATOM 1984 O LEU A 131 4.207 -7.190 -6.977 1.00 0.25 O ATOM 1985 CB LEU A 131 4.489 -4.456 -5.146 1.00 0.32 C ATOM 1986 CG LEU A 131 3.630 -4.024 -3.971 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.493 -4.999 -3.793 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.463 -3.959 -2.721 1.00 1.06 C ATOM 0 H LEU A 131 6.695 -5.203 -4.200 1.00 0.29 H new ATOM 0 HA LEU A 131 4.190 -6.481 -4.543 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.373 -3.820 -5.187 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.932 -4.288 -6.068 1.00 0.32 H new ATOM 0 HG LEU A 131 3.221 -3.033 -4.167 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.876 -4.689 -2.949 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.886 -5.019 -4.698 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.894 -5.995 -3.603 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.839 -3.648 -1.883 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.885 -4.942 -2.514 1.00 1.06 H new ATOM 0 HD23 LEU A 131 5.270 -3.239 -2.859 1.00 1.06 H new ATOM 2000 N MET A 132 6.118 -6.053 -7.160 1.00 0.21 N ATOM 2001 CA MET A 132 6.349 -6.501 -8.506 1.00 0.22 C ATOM 2002 C MET A 132 6.767 -7.964 -8.503 1.00 0.26 C ATOM 2003 O MET A 132 6.909 -8.581 -9.556 1.00 0.32 O ATOM 2004 CB MET A 132 7.382 -5.612 -9.180 1.00 0.23 C ATOM 2005 CG MET A 132 8.820 -5.874 -8.768 1.00 0.26 C ATOM 2006 SD MET A 132 9.642 -6.996 -9.905 1.00 0.35 S ATOM 2007 CE MET A 132 9.044 -6.304 -11.442 1.00 0.32 C ATOM 0 H MET A 132 6.837 -5.435 -6.784 1.00 0.21 H new ATOM 0 HA MET A 132 5.427 -6.425 -9.082 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.300 -5.739 -10.259 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.141 -4.571 -8.963 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.365 -4.931 -8.729 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.840 -6.295 -7.763 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.734 -6.555 -12.247 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.059 -6.714 -11.667 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.973 -5.220 -11.350 1.00 0.32 H new ATOM 2017 N GLU A 133 6.935 -8.524 -7.308 1.00 0.27 N ATOM 2018 CA GLU A 133 7.162 -9.944 -7.174 1.00 0.35 C ATOM 2019 C GLU A 133 5.826 -10.668 -7.236 1.00 0.34 C ATOM 2020 O GLU A 133 5.763 -11.835 -7.619 1.00 0.40 O ATOM 2021 CB GLU A 133 7.920 -10.268 -5.883 1.00 0.44 C ATOM 2022 CG GLU A 133 8.276 -11.739 -5.745 1.00 0.67 C ATOM 2023 CD GLU A 133 9.374 -11.988 -4.734 1.00 1.30 C ATOM 2024 OE1 GLU A 133 9.085 -12.015 -3.522 1.00 2.18 O ATOM 2025 OE2 GLU A 133 10.538 -12.157 -5.151 1.00 1.55 O ATOM 0 H GLU A 133 6.917 -8.011 -6.427 1.00 0.27 H new ATOM 0 HA GLU A 133 7.789 -10.287 -7.997 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.834 -9.676 -5.849 1.00 0.44 H new ATOM 0 HB3 GLU A 133 7.313 -9.967 -5.029 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.386 -12.297 -5.452 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.589 -12.124 -6.715 1.00 0.67 H new ATOM 2032 N TYR A 134 4.737 -9.966 -6.888 1.00 0.30 N ATOM 2033 CA TYR A 134 3.413 -10.492 -7.175 1.00 0.34 C ATOM 2034 C TYR A 134 3.040 -10.116 -8.607 1.00 0.36 C ATOM 2035 O TYR A 134 1.949 -10.412 -9.092 1.00 0.44 O ATOM 2036 CB TYR A 134 2.404 -9.971 -6.174 1.00 0.32 C ATOM 2037 CG TYR A 134 2.864 -10.133 -4.747 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.934 -11.387 -4.153 1.00 0.51 C ATOM 2039 CD2 TYR A 134 3.267 -9.034 -4.007 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.386 -11.535 -2.857 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.726 -9.173 -2.717 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.785 -10.424 -2.143 1.00 0.57 C ATOM 2043 OH TYR A 134 4.245 -10.566 -0.853 1.00 0.74 O ATOM 0 H TYR A 134 4.753 -9.059 -6.421 1.00 0.30 H new ATOM 0 HA TYR A 134 3.413 -11.578 -7.085 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.213 -8.916 -6.372 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.459 -10.497 -6.309 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.630 -12.259 -4.713 1.00 0.51 H new ATOM 0 HD2 TYR A 134 3.220 -8.050 -4.450 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.427 -12.515 -2.405 1.00 0.61 H new ATOM 0 HE2 TYR A 134 4.039 -8.304 -2.157 1.00 0.49 H new ATOM 0 HH TYR A 134 4.899 -9.862 -0.659 1.00 0.74 H new ATOM 2053 N ASN A 135 3.986 -9.426 -9.251 1.00 0.35 N ATOM 2054 CA ASN A 135 3.948 -9.097 -10.675 1.00 0.38 C ATOM 2055 C ASN A 135 2.934 -7.996 -10.912 1.00 0.42 C ATOM 2056 O ASN A 135 2.104 -8.046 -11.820 1.00 0.59 O ATOM 2057 CB ASN A 135 3.659 -10.342 -11.530 1.00 0.47 C ATOM 2058 CG ASN A 135 3.928 -10.129 -13.012 1.00 1.19 C ATOM 2059 OD1 ASN A 135 3.040 -9.744 -13.772 1.00 1.94 O ATOM 2060 ND2 ASN A 135 5.150 -10.402 -13.441 1.00 1.89 N ATOM 0 H ASN A 135 4.820 -9.073 -8.782 1.00 0.35 H new ATOM 0 HA ASN A 135 4.928 -8.734 -10.984 1.00 0.38 H new ATOM 0 HB2 ASN A 135 4.271 -11.170 -11.172 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.617 -10.633 -11.395 1.00 0.47 H new ATOM 0 HD21 ASN A 135 5.379 -10.295 -14.429 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.862 -10.719 -12.783 1.00 1.89 H new ATOM 2067 N LEU A 136 3.008 -7.006 -10.051 1.00 0.38 N ATOM 2068 CA LEU A 136 2.284 -5.781 -10.226 1.00 0.46 C ATOM 2069 C LEU A 136 3.288 -4.643 -10.145 1.00 0.39 C ATOM 2070 O LEU A 136 3.551 -4.065 -9.088 1.00 0.43 O ATOM 2071 CB LEU A 136 1.152 -5.657 -9.203 1.00 0.62 C ATOM 2072 CG LEU A 136 1.547 -5.780 -7.736 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.919 -4.664 -6.923 1.00 1.68 C ATOM 2074 CD2 LEU A 136 1.107 -7.127 -7.198 1.00 1.44 C ATOM 0 H LEU A 136 3.578 -7.035 -9.206 1.00 0.38 H new ATOM 0 HA LEU A 136 1.793 -5.753 -11.199 1.00 0.46 H new ATOM 0 HB2 LEU A 136 0.667 -4.692 -9.346 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.408 -6.423 -9.422 1.00 0.62 H new ATOM 0 HG LEU A 136 2.631 -5.699 -7.656 1.00 0.89 H new ATOM 0 HD11 LEU A 136 1.211 -4.767 -5.878 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.260 -3.701 -7.302 1.00 1.68 H new ATOM 0 HD13 LEU A 136 -0.166 -4.722 -7.004 1.00 1.68 H new ATOM 0 HD21 LEU A 136 1.391 -7.210 -6.149 1.00 1.44 H new ATOM 0 HD22 LEU A 136 0.025 -7.219 -7.289 1.00 1.44 H new ATOM 0 HD23 LEU A 136 1.588 -7.921 -7.769 1.00 1.44 H new ATOM 2086 N VAL A 137 3.911 -4.408 -11.281 1.00 0.33 N ATOM 2087 CA VAL A 137 5.011 -3.468 -11.397 1.00 0.27 C ATOM 2088 C VAL A 137 4.548 -2.046 -11.149 1.00 0.26 C ATOM 2089 O VAL A 137 3.547 -1.606 -11.701 1.00 0.27 O ATOM 2090 CB VAL A 137 5.663 -3.524 -12.790 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.171 -3.638 -12.667 1.00 0.61 C ATOM 2092 CG2 VAL A 137 5.080 -4.659 -13.624 1.00 0.49 C ATOM 0 H VAL A 137 3.667 -4.867 -12.159 1.00 0.33 H new ATOM 0 HA VAL A 137 5.741 -3.758 -10.642 1.00 0.27 H new ATOM 0 HB VAL A 137 5.440 -2.593 -13.312 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.615 -3.676 -13.662 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.559 -2.773 -12.130 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.424 -4.547 -12.121 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.559 -4.675 -14.603 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.255 -5.609 -13.119 1.00 0.49 H new ATOM 0 HG23 VAL A 137 4.008 -4.506 -13.747 1.00 0.49 H new ATOM 2102 N PRO A 138 5.277 -1.325 -10.297 1.00 0.25 N ATOM 2103 CA PRO A 138 5.046 0.098 -10.046 1.00 0.27 C ATOM 2104 C PRO A 138 4.943 0.931 -11.309 1.00 0.30 C ATOM 2105 O PRO A 138 5.516 0.597 -12.347 1.00 0.29 O ATOM 2106 CB PRO A 138 6.294 0.524 -9.300 1.00 0.30 C ATOM 2107 CG PRO A 138 6.752 -0.694 -8.600 1.00 0.29 C ATOM 2108 CD PRO A 138 6.362 -1.863 -9.464 1.00 0.27 C ATOM 0 HA PRO A 138 4.104 0.244 -9.518 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.056 0.896 -9.985 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.078 1.327 -8.595 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.831 -0.669 -8.446 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.292 -0.770 -7.615 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.198 -2.211 -10.070 1.00 0.27 H new ATOM 0 HD3 PRO A 138 6.027 -2.710 -8.866 1.00 0.27 H new ATOM 2116 N GLU A 139 4.260 2.047 -11.173 1.00 0.35 N ATOM 2117 CA GLU A 139 4.090 2.999 -12.265 1.00 0.40 C ATOM 2118 C GLU A 139 5.341 3.853 -12.385 1.00 0.42 C ATOM 2119 O GLU A 139 5.583 4.493 -13.407 1.00 0.50 O ATOM 2120 CB GLU A 139 2.862 3.882 -12.038 1.00 0.47 C ATOM 2121 CG GLU A 139 1.548 3.128 -12.103 1.00 0.80 C ATOM 2122 CD GLU A 139 1.249 2.611 -13.492 1.00 1.49 C ATOM 2123 OE1 GLU A 139 1.909 1.645 -13.925 1.00 2.01 O ATOM 2124 OE2 GLU A 139 0.350 3.163 -14.147 1.00 1.98 O ATOM 0 H GLU A 139 3.804 2.326 -10.304 1.00 0.35 H new ATOM 0 HA GLU A 139 3.935 2.447 -13.192 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.947 4.363 -11.064 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.853 4.675 -12.785 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.577 2.291 -11.405 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.739 3.784 -11.780 1.00 0.80 H new ATOM 2131 N GLU A 140 6.119 3.871 -11.309 1.00 0.42 N ATOM 2132 CA GLU A 140 7.471 4.415 -11.345 1.00 0.44 C ATOM 2133 C GLU A 140 8.268 3.655 -12.388 1.00 0.43 C ATOM 2134 O GLU A 140 9.057 4.221 -13.141 1.00 0.51 O ATOM 2135 CB GLU A 140 8.183 4.231 -9.996 1.00 0.45 C ATOM 2136 CG GLU A 140 7.284 3.822 -8.846 1.00 0.75 C ATOM 2137 CD GLU A 140 6.272 4.877 -8.450 1.00 0.87 C ATOM 2138 OE1 GLU A 140 6.680 5.948 -7.949 1.00 1.14 O ATOM 2139 OE2 GLU A 140 5.064 4.623 -8.628 1.00 1.01 O ATOM 0 H GLU A 140 5.835 3.513 -10.397 1.00 0.42 H new ATOM 0 HA GLU A 140 7.405 5.478 -11.575 1.00 0.44 H new ATOM 0 HB2 GLU A 140 8.962 3.478 -10.114 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.680 5.165 -9.734 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.754 2.909 -9.119 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.903 3.584 -7.981 1.00 0.75 H new ATOM 2146 N TRP A 141 8.036 2.348 -12.410 1.00 0.35 N ATOM 2147 CA TRP A 141 8.841 1.441 -13.203 1.00 0.35 C ATOM 2148 C TRP A 141 8.170 1.148 -14.540 1.00 0.38 C ATOM 2149 O TRP A 141 8.832 0.730 -15.491 1.00 0.45 O ATOM 2150 CB TRP A 141 9.126 0.162 -12.424 1.00 0.32 C ATOM 2151 CG TRP A 141 9.569 0.398 -10.996 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.840 1.595 -10.393 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.773 -0.597 -9.992 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.164 1.411 -9.081 1.00 0.31 N ATOM 2155 CE2 TRP A 141 10.143 0.067 -8.805 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.668 -1.981 -9.987 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.403 -0.621 -7.618 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.923 -2.666 -8.813 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.287 -1.988 -7.639 1.00 0.23 C ATOM 0 H TRP A 141 7.290 1.895 -11.882 1.00 0.35 H new ATOM 0 HA TRP A 141 9.797 1.920 -13.417 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.228 -0.455 -12.418 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.898 -0.404 -12.945 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.803 2.554 -10.888 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.385 2.151 -8.415 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.392 -2.514 -10.885 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.685 -0.097 -6.717 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.841 -3.743 -8.799 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.479 -2.551 -6.738 1.00 0.23 H new ATOM 2170 N GLY A 142 6.853 1.355 -14.610 1.00 0.35 N ATOM 2171 CA GLY A 142 6.168 1.299 -15.889 1.00 0.39 C ATOM 2172 C GLY A 142 5.302 0.074 -16.024 1.00 0.38 C ATOM 2173 O GLY A 142 5.034 -0.389 -17.133 1.00 0.45 O ATOM 0 H GLY A 142 6.255 1.559 -13.809 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.552 2.191 -16.008 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.904 1.311 -16.693 1.00 0.39 H new ATOM 2177 N GLY A 143 4.874 -0.456 -14.892 1.00 0.33 N ATOM 2178 CA GLY A 143 4.022 -1.623 -14.899 1.00 0.34 C ATOM 2179 C GLY A 143 2.554 -1.270 -14.931 1.00 0.37 C ATOM 2180 O GLY A 143 2.007 -0.943 -15.987 1.00 0.50 O ATOM 0 H GLY A 143 5.102 -0.097 -13.965 1.00 0.33 H new ATOM 0 HA2 GLY A 143 4.263 -2.239 -15.765 1.00 0.34 H new ATOM 0 HA3 GLY A 143 4.228 -2.224 -14.013 1.00 0.34 H new ATOM 2184 N ASP A 144 1.915 -1.348 -13.774 1.00 0.33 N ATOM 2185 CA ASP A 144 0.500 -1.041 -13.664 1.00 0.40 C ATOM 2186 C ASP A 144 0.091 -0.849 -12.207 1.00 0.30 C ATOM 2187 O ASP A 144 -1.073 -1.045 -11.836 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.350 -2.146 -14.310 1.00 0.57 C ATOM 2189 CG ASP A 144 0.009 -3.538 -13.811 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -0.493 -3.937 -12.732 1.00 1.30 O ATOM 2191 OD2 ASP A 144 0.789 -4.237 -14.485 1.00 1.19 O ATOM 0 H ASP A 144 2.357 -1.622 -12.896 1.00 0.33 H new ATOM 0 HA ASP A 144 0.322 -0.107 -14.197 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.403 -1.953 -14.106 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.223 -2.109 -15.392 1.00 0.57 H new ATOM 2196 N THR A 145 1.033 -0.438 -11.375 1.00 0.25 N ATOM 2197 CA THR A 145 0.751 -0.313 -9.952 1.00 0.24 C ATOM 2198 C THR A 145 1.180 1.040 -9.391 1.00 0.24 C ATOM 2199 O THR A 145 2.363 1.377 -9.370 1.00 0.31 O ATOM 2200 CB THR A 145 1.423 -1.446 -9.167 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.984 -2.699 -9.696 1.00 0.32 O ATOM 2202 CG2 THR A 145 1.078 -1.365 -7.689 1.00 0.28 C ATOM 0 H THR A 145 1.983 -0.189 -11.651 1.00 0.25 H new ATOM 0 HA THR A 145 -0.330 -0.386 -9.836 1.00 0.24 H new ATOM 0 HB THR A 145 2.504 -1.352 -9.268 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.011 -2.769 -9.607 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.568 -2.180 -7.156 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.420 -0.411 -7.287 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.002 -1.445 -7.562 1.00 0.28 H new ATOM 2210 N ILE A 146 0.204 1.801 -8.917 1.00 0.26 N ATOM 2211 CA ILE A 146 0.442 3.146 -8.416 1.00 0.27 C ATOM 2212 C ILE A 146 0.943 3.100 -6.973 1.00 0.24 C ATOM 2213 O ILE A 146 0.190 2.771 -6.064 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.846 4.008 -8.487 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.318 4.181 -9.937 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.625 5.368 -7.844 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.043 2.978 -10.511 1.00 1.23 C ATOM 0 H ILE A 146 -0.771 1.505 -8.869 1.00 0.26 H new ATOM 0 HA ILE A 146 1.203 3.602 -9.049 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.624 3.482 -7.933 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.978 5.046 -9.990 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -0.453 4.401 -10.563 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.542 5.953 -7.907 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.350 5.235 -6.798 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.176 5.892 -8.366 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.340 3.188 -11.538 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.381 2.112 -10.495 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.929 2.768 -9.913 1.00 1.23 H new ATOM 2229 N PHE A 147 2.216 3.418 -6.769 1.00 0.23 N ATOM 2230 CA PHE A 147 2.802 3.411 -5.430 1.00 0.22 C ATOM 2231 C PHE A 147 2.646 4.764 -4.755 1.00 0.24 C ATOM 2232 O PHE A 147 3.463 5.669 -4.949 1.00 0.38 O ATOM 2233 CB PHE A 147 4.280 3.030 -5.496 1.00 0.23 C ATOM 2234 CG PHE A 147 4.490 1.552 -5.443 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.270 0.765 -6.559 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.876 0.945 -4.263 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.439 -0.604 -6.497 1.00 0.20 C ATOM 2238 CE2 PHE A 147 5.043 -0.423 -4.194 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.826 -1.196 -5.312 1.00 0.19 C ATOM 0 H PHE A 147 2.863 3.684 -7.511 1.00 0.23 H new ATOM 0 HA PHE A 147 2.268 2.668 -4.837 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.713 3.423 -6.416 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.811 3.500 -4.668 1.00 0.23 H new ATOM 0 HD1 PHE A 147 3.963 1.225 -7.487 1.00 0.20 H new ATOM 0 HD2 PHE A 147 5.049 1.549 -3.384 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.269 -1.210 -7.374 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.343 -0.886 -3.265 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.959 -2.267 -5.262 1.00 0.19 H new ATOM 2249 N CYS A 148 1.611 4.888 -3.942 1.00 0.25 N ATOM 2250 CA CYS A 148 1.349 6.116 -3.226 1.00 0.28 C ATOM 2251 C CYS A 148 2.166 6.138 -1.957 1.00 0.26 C ATOM 2252 O CYS A 148 1.816 5.501 -0.969 1.00 0.32 O ATOM 2253 CB CYS A 148 -0.134 6.230 -2.883 1.00 0.30 C ATOM 2254 SG CYS A 148 -1.219 6.270 -4.325 1.00 1.10 S ATOM 0 H CYS A 148 0.936 4.145 -3.763 1.00 0.25 H new ATOM 0 HA CYS A 148 1.625 6.960 -3.859 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.416 5.387 -2.252 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -0.292 7.135 -2.296 1.00 0.30 H new ATOM 0 HG CYS A 148 -2.173 7.131 -4.127 1.00 1.10 H new ATOM 2260 N LYS A 149 3.273 6.839 -1.998 1.00 0.37 N ATOM 2261 CA LYS A 149 4.103 7.003 -0.824 1.00 0.38 C ATOM 2262 C LYS A 149 3.534 8.133 0.016 1.00 0.39 C ATOM 2263 O LYS A 149 3.959 9.281 -0.086 1.00 0.47 O ATOM 2264 CB LYS A 149 5.552 7.267 -1.250 1.00 0.47 C ATOM 2265 CG LYS A 149 5.683 7.673 -2.711 1.00 0.64 C ATOM 2266 CD LYS A 149 7.114 7.557 -3.211 1.00 0.94 C ATOM 2267 CE LYS A 149 7.192 7.745 -4.721 1.00 1.57 C ATOM 2268 NZ LYS A 149 6.389 6.724 -5.453 1.00 2.44 N ATOM 0 H LYS A 149 3.623 7.308 -2.834 1.00 0.37 H new ATOM 0 HA LYS A 149 4.107 6.096 -0.219 1.00 0.38 H new ATOM 0 HB2 LYS A 149 5.971 8.053 -0.622 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.145 6.369 -1.075 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.034 7.044 -3.321 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.339 8.700 -2.834 1.00 0.64 H new ATOM 0 HD2 LYS A 149 7.735 8.304 -2.717 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.517 6.580 -2.943 1.00 0.94 H new ATOM 0 HE2 LYS A 149 6.835 8.742 -4.981 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.232 7.685 -5.041 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 6.805 6.563 -6.393 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 6.389 5.833 -4.917 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 5.412 7.063 -5.561 1.00 2.44 H new ATOM 2282 N LEU A 150 2.552 7.789 0.838 1.00 0.40 N ATOM 2283 CA LEU A 150 1.753 8.783 1.527 1.00 0.45 C ATOM 2284 C LEU A 150 1.959 8.769 3.039 1.00 0.45 C ATOM 2285 O LEU A 150 2.748 7.992 3.581 1.00 0.49 O ATOM 2286 CB LEU A 150 0.260 8.594 1.169 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.491 7.357 1.715 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.392 6.130 1.834 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.169 7.667 3.044 1.00 1.27 C ATOM 0 H LEU A 150 2.292 6.824 1.042 1.00 0.40 H new ATOM 0 HA LEU A 150 2.088 9.763 1.186 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.275 9.481 1.510 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.182 8.573 0.082 1.00 0.60 H new ATOM 0 HG LEU A 150 -1.258 7.118 0.979 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.193 5.297 2.222 1.00 1.25 H new ATOM 0 HD12 LEU A 150 0.787 5.869 0.852 1.00 1.25 H new ATOM 0 HD13 LEU A 150 1.218 6.341 2.513 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.689 6.779 3.403 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.418 7.968 3.774 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.886 8.476 2.907 1.00 1.27 H new ATOM 2301 N SER A 151 1.234 9.651 3.706 1.00 0.49 N ATOM 2302 CA SER A 151 1.308 9.791 5.144 1.00 0.55 C ATOM 2303 C SER A 151 -0.013 10.332 5.689 1.00 0.57 C ATOM 2304 O SER A 151 -0.381 11.478 5.429 1.00 0.60 O ATOM 2305 CB SER A 151 2.468 10.720 5.508 1.00 0.66 C ATOM 2306 OG SER A 151 2.424 11.912 4.741 1.00 1.79 O ATOM 0 H SER A 151 0.576 10.291 3.261 1.00 0.49 H new ATOM 0 HA SER A 151 1.486 8.815 5.595 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.424 10.964 6.569 1.00 0.66 H new ATOM 0 HB3 SER A 151 3.415 10.209 5.338 1.00 0.66 H new ATOM 0 HG SER A 151 1.492 12.187 4.618 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.736 9.494 6.419 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.016 9.894 6.996 1.00 0.70 C ATOM 2314 C ALA A 152 -1.819 10.839 8.173 1.00 0.74 C ATOM 2315 O ALA A 152 -2.632 11.731 8.403 1.00 0.87 O ATOM 2316 CB ALA A 152 -2.804 8.665 7.423 1.00 0.86 C ATOM 0 H ALA A 152 -0.460 8.534 6.627 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.582 10.428 6.233 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -3.757 8.975 7.852 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -2.986 8.030 6.556 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.235 8.108 8.167 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.719 10.660 8.897 1.00 0.77 N ATOM 2323 CA LYS A 153 -0.441 11.456 10.079 1.00 0.93 C ATOM 2324 C LYS A 153 0.008 12.847 9.678 1.00 0.86 C ATOM 2325 O LYS A 153 -0.465 13.857 10.196 1.00 0.96 O ATOM 2326 CB LYS A 153 0.638 10.771 10.922 1.00 1.13 C ATOM 2327 CG LYS A 153 2.013 10.662 10.265 1.00 1.19 C ATOM 2328 CD LYS A 153 2.983 9.853 11.116 1.00 1.68 C ATOM 2329 CE LYS A 153 4.395 9.883 10.544 1.00 2.31 C ATOM 2330 NZ LYS A 153 5.098 11.160 10.847 1.00 3.03 N ATOM 0 H LYS A 153 -0.004 9.965 8.681 1.00 0.77 H new ATOM 0 HA LYS A 153 -1.351 11.544 10.673 1.00 0.93 H new ATOM 0 HB2 LYS A 153 0.744 11.318 11.859 1.00 1.13 H new ATOM 0 HB3 LYS A 153 0.295 9.768 11.175 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.912 10.195 9.285 1.00 1.19 H new ATOM 0 HG3 LYS A 153 2.418 11.661 10.102 1.00 1.19 H new ATOM 0 HD2 LYS A 153 2.993 10.249 12.132 1.00 1.68 H new ATOM 0 HD3 LYS A 153 2.638 8.821 11.179 1.00 1.68 H new ATOM 0 HE2 LYS A 153 4.968 9.050 10.951 1.00 2.31 H new ATOM 0 HE3 LYS A 153 4.351 9.742 9.464 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 6.054 11.135 10.439 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 4.567 11.954 10.437 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 5.165 11.283 11.877 1.00 3.03 H new ATOM 2344 N THR A 154 0.921 12.868 8.734 1.00 0.78 N ATOM 2345 CA THR A 154 1.462 14.099 8.199 1.00 0.81 C ATOM 2346 C THR A 154 0.429 14.795 7.317 1.00 0.73 C ATOM 2347 O THR A 154 0.551 15.976 6.992 1.00 0.82 O ATOM 2348 CB THR A 154 2.737 13.794 7.397 1.00 0.89 C ATOM 2349 OG1 THR A 154 3.466 12.749 8.061 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.624 15.023 7.273 1.00 1.20 C ATOM 0 H THR A 154 1.313 12.026 8.312 1.00 0.78 H new ATOM 0 HA THR A 154 1.711 14.768 9.023 1.00 0.81 H new ATOM 0 HB THR A 154 2.447 13.483 6.393 1.00 0.89 H new ATOM 0 HG1 THR A 154 4.281 12.546 7.555 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.516 14.771 6.700 1.00 1.20 H new ATOM 0 HG22 THR A 154 3.077 15.816 6.763 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.915 15.364 8.267 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.601 14.028 6.962 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.730 14.505 6.165 1.00 0.67 C ATOM 2360 C LYS A 155 -1.272 15.048 4.808 1.00 0.66 C ATOM 2361 O LYS A 155 -1.924 15.900 4.207 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.517 15.567 6.945 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.933 15.791 6.432 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.714 14.488 6.382 1.00 1.12 C ATOM 2365 CE LYS A 155 -6.166 14.720 6.009 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.303 15.521 4.756 1.00 2.27 N ATOM 0 H LYS A 155 -0.676 13.045 7.223 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.387 13.658 5.968 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.564 15.272 7.993 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -1.973 16.511 6.903 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.448 16.502 7.078 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.896 16.234 5.437 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.255 13.816 5.657 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.662 13.994 7.352 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.665 13.759 5.881 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.672 15.236 6.825 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -7.301 15.541 4.464 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.973 16.492 4.927 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -5.731 15.088 4.003 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.152 14.536 4.321 1.00 0.62 N ATOM 2381 CA GLU A 156 0.379 14.948 3.031 1.00 0.66 C ATOM 2382 C GLU A 156 -0.133 14.028 1.932 1.00 0.59 C ATOM 2383 O GLU A 156 -0.934 14.423 1.081 1.00 0.58 O ATOM 2384 CB GLU A 156 1.909 14.925 3.057 1.00 0.75 C ATOM 2385 CG GLU A 156 2.521 15.874 4.076 1.00 1.13 C ATOM 2386 CD GLU A 156 2.346 17.331 3.704 1.00 1.78 C ATOM 2387 OE1 GLU A 156 1.217 17.852 3.839 1.00 2.64 O ATOM 2388 OE2 GLU A 156 3.330 17.968 3.273 1.00 2.03 O ATOM 0 H GLU A 156 0.408 13.832 4.802 1.00 0.62 H new ATOM 0 HA GLU A 156 0.043 15.965 2.826 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.244 13.910 3.273 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.284 15.181 2.066 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.066 15.696 5.050 1.00 1.13 H new ATOM 0 HG3 GLU A 156 3.584 15.655 4.176 1.00 1.13 H new ATOM 2395 N GLY A 157 0.314 12.783 1.984 1.00 0.62 N ATOM 2396 CA GLY A 157 -0.036 11.821 0.972 1.00 0.61 C ATOM 2397 C GLY A 157 -1.494 11.397 1.016 1.00 0.48 C ATOM 2398 O GLY A 157 -1.977 10.766 0.083 1.00 0.46 O ATOM 0 H GLY A 157 0.920 12.423 2.721 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.182 12.242 -0.009 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.594 10.939 1.087 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.189 11.729 2.098 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.605 11.392 2.231 1.00 0.50 C ATOM 2404 C LEU A 158 -4.394 12.060 1.103 1.00 0.46 C ATOM 2405 O LEU A 158 -5.109 11.403 0.340 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.114 11.844 3.614 1.00 0.62 C ATOM 2407 CG LEU A 158 -5.510 11.352 4.037 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -6.613 12.116 3.316 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -5.649 9.858 3.788 1.00 1.27 C ATOM 0 H LEU A 158 -1.798 12.230 2.895 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.743 10.314 2.154 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.396 11.513 4.364 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -4.118 12.934 3.635 1.00 0.62 H new ATOM 0 HG LEU A 158 -5.617 11.541 5.105 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -7.585 11.743 3.639 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -6.535 13.177 3.553 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.509 11.976 2.240 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -6.642 9.529 4.093 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.508 9.651 2.727 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -4.896 9.321 4.365 1.00 1.27 H new ATOM 2421 N ASP A 159 -4.232 13.366 0.998 1.00 0.48 N ATOM 2422 CA ASP A 159 -4.875 14.146 -0.047 1.00 0.57 C ATOM 2423 C ASP A 159 -4.329 13.736 -1.411 1.00 0.50 C ATOM 2424 O ASP A 159 -5.053 13.722 -2.408 1.00 0.52 O ATOM 2425 CB ASP A 159 -4.635 15.641 0.197 1.00 0.73 C ATOM 2426 CG ASP A 159 -5.146 16.109 1.553 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -4.811 15.473 2.581 1.00 2.50 O ATOM 2428 OD2 ASP A 159 -5.869 17.127 1.602 1.00 1.58 O ATOM 0 H ASP A 159 -3.653 13.916 1.632 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.948 13.956 -0.029 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.567 15.849 0.125 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -5.125 16.216 -0.589 1.00 0.73 H new ATOM 2433 N HIS A 160 -3.045 13.377 -1.435 1.00 0.47 N ATOM 2434 CA HIS A 160 -2.394 12.903 -2.655 1.00 0.46 C ATOM 2435 C HIS A 160 -2.994 11.574 -3.118 1.00 0.41 C ATOM 2436 O HIS A 160 -2.943 11.244 -4.299 1.00 0.43 O ATOM 2437 CB HIS A 160 -0.884 12.752 -2.431 1.00 0.50 C ATOM 2438 CG HIS A 160 -0.135 12.225 -3.622 1.00 0.56 C ATOM 2439 ND1 HIS A 160 0.102 12.971 -4.753 1.00 0.67 N ATOM 2440 CD2 HIS A 160 0.431 11.016 -3.849 1.00 0.59 C ATOM 2441 CE1 HIS A 160 0.784 12.247 -5.621 1.00 0.73 C ATOM 2442 NE2 HIS A 160 0.996 11.056 -5.097 1.00 0.67 N ATOM 0 H HIS A 160 -2.434 13.406 -0.619 1.00 0.47 H new ATOM 0 HA HIS A 160 -2.563 13.644 -3.436 1.00 0.46 H new ATOM 0 HB2 HIS A 160 -0.470 13.722 -2.155 1.00 0.50 H new ATOM 0 HB3 HIS A 160 -0.718 12.083 -1.586 1.00 0.50 H new ATOM 0 HD1 HIS A 160 -0.202 13.934 -4.898 1.00 0.67 H new ATOM 0 HD2 HIS A 160 0.436 10.175 -3.171 1.00 0.59 H new ATOM 0 HE1 HIS A 160 1.113 12.575 -6.596 1.00 0.73 H new ATOM 2451 N LEU A 161 -3.550 10.809 -2.186 1.00 0.39 N ATOM 2452 CA LEU A 161 -4.193 9.547 -2.525 1.00 0.39 C ATOM 2453 C LEU A 161 -5.437 9.805 -3.360 1.00 0.39 C ATOM 2454 O LEU A 161 -5.567 9.290 -4.467 1.00 0.42 O ATOM 2455 CB LEU A 161 -4.558 8.761 -1.261 1.00 0.41 C ATOM 2456 CG LEU A 161 -5.304 7.447 -1.504 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -4.472 6.515 -2.372 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.655 6.788 -0.178 1.00 0.88 C ATOM 0 H LEU A 161 -3.568 11.040 -1.193 1.00 0.39 H new ATOM 0 HA LEU A 161 -3.491 8.949 -3.106 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -3.643 8.544 -0.710 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -5.172 9.396 -0.622 1.00 0.41 H new ATOM 0 HG LEU A 161 -6.231 7.663 -2.034 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -5.018 5.586 -2.535 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -4.274 6.992 -3.332 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -3.528 6.299 -1.872 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -6.185 5.854 -0.365 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.741 6.581 0.379 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -6.290 7.456 0.403 1.00 0.88 H new ATOM 2470 N LEU A 162 -6.336 10.625 -2.828 1.00 0.40 N ATOM 2471 CA LEU A 162 -7.557 10.997 -3.532 1.00 0.44 C ATOM 2472 C LEU A 162 -7.232 11.603 -4.892 1.00 0.45 C ATOM 2473 O LEU A 162 -7.881 11.286 -5.882 1.00 0.48 O ATOM 2474 CB LEU A 162 -8.347 12.000 -2.691 1.00 0.50 C ATOM 2475 CG LEU A 162 -8.807 11.487 -1.325 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -9.466 12.603 -0.528 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -9.762 10.314 -1.496 1.00 1.06 C ATOM 0 H LEU A 162 -6.241 11.047 -1.905 1.00 0.40 H new ATOM 0 HA LEU A 162 -8.157 10.101 -3.690 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -7.732 12.887 -2.540 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -9.224 12.313 -3.257 1.00 0.50 H new ATOM 0 HG LEU A 162 -7.933 11.144 -0.771 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -9.786 12.218 0.440 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -8.753 13.414 -0.379 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -10.332 12.978 -1.074 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -10.081 9.959 -0.516 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -10.633 10.634 -2.067 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -9.256 9.508 -2.027 1.00 1.06 H new ATOM 2489 N GLU A 163 -6.206 12.452 -4.947 1.00 0.46 N ATOM 2490 CA GLU A 163 -5.865 13.127 -6.198 1.00 0.52 C ATOM 2491 C GLU A 163 -5.300 12.131 -7.210 1.00 0.51 C ATOM 2492 O GLU A 163 -5.423 12.324 -8.416 1.00 0.56 O ATOM 2493 CB GLU A 163 -4.864 14.274 -5.977 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.414 13.822 -5.872 1.00 1.06 C ATOM 2495 CD GLU A 163 -2.425 14.958 -6.030 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -2.572 15.751 -6.983 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -1.477 15.048 -5.226 1.00 2.49 O ATOM 0 H GLU A 163 -5.607 12.686 -4.156 1.00 0.46 H new ATOM 0 HA GLU A 163 -6.786 13.557 -6.592 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -4.953 14.984 -6.800 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -5.134 14.807 -5.065 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -3.258 13.344 -4.905 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.218 13.069 -6.635 1.00 1.06 H new ATOM 2504 N MET A 164 -4.688 11.066 -6.710 1.00 0.49 N ATOM 2505 CA MET A 164 -4.092 10.057 -7.569 1.00 0.52 C ATOM 2506 C MET A 164 -5.168 9.099 -8.064 1.00 0.51 C ATOM 2507 O MET A 164 -5.098 8.589 -9.180 1.00 0.57 O ATOM 2508 CB MET A 164 -3.015 9.283 -6.804 1.00 0.53 C ATOM 2509 CG MET A 164 -1.994 8.596 -7.697 1.00 0.68 C ATOM 2510 SD MET A 164 -0.541 9.619 -8.034 1.00 0.87 S ATOM 2511 CE MET A 164 -1.285 11.079 -8.756 1.00 0.67 C ATOM 0 H MET A 164 -4.592 10.880 -5.712 1.00 0.49 H new ATOM 0 HA MET A 164 -3.630 10.549 -8.425 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.495 9.969 -6.136 1.00 0.53 H new ATOM 0 HB3 MET A 164 -3.497 8.533 -6.177 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.675 7.667 -7.225 1.00 0.68 H new ATOM 0 HG3 MET A 164 -2.468 8.328 -8.641 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.509 11.699 -9.204 1.00 0.67 H new ATOM 0 HE2 MET A 164 -2.000 10.782 -9.523 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.800 11.646 -7.981 1.00 0.67 H new ATOM 2521 N ILE A 165 -6.168 8.887 -7.224 1.00 0.48 N ATOM 2522 CA ILE A 165 -7.257 7.972 -7.500 1.00 0.51 C ATOM 2523 C ILE A 165 -7.963 8.303 -8.830 1.00 0.58 C ATOM 2524 O ILE A 165 -8.068 7.444 -9.710 1.00 0.64 O ATOM 2525 CB ILE A 165 -8.245 8.012 -6.316 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.691 7.195 -5.146 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -9.621 7.525 -6.705 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -8.513 7.316 -3.880 1.00 0.50 C ATOM 0 H ILE A 165 -6.245 9.353 -6.320 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.856 6.964 -7.610 1.00 0.51 H new ATOM 0 HB ILE A 165 -8.353 9.052 -6.009 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.641 6.146 -5.438 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -6.671 7.518 -4.939 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -10.282 7.571 -5.839 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -10.019 8.156 -7.500 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.556 6.496 -7.057 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -8.061 6.711 -3.094 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -8.543 8.359 -3.564 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -9.528 6.966 -4.070 1.00 0.50 H new ATOM 2540 N LEU A 166 -8.429 9.542 -8.999 1.00 0.61 N ATOM 2541 CA LEU A 166 -9.097 9.921 -10.242 1.00 0.72 C ATOM 2542 C LEU A 166 -8.100 10.257 -11.346 1.00 0.72 C ATOM 2543 O LEU A 166 -8.388 10.051 -12.526 1.00 0.81 O ATOM 2544 CB LEU A 166 -10.094 11.084 -10.078 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.900 12.068 -8.910 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -10.287 11.435 -7.586 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.479 12.608 -8.865 1.00 1.48 C ATOM 0 H LEU A 166 -8.358 10.286 -8.305 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.669 9.039 -10.530 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -10.082 11.662 -11.002 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -11.091 10.653 -9.985 1.00 0.82 H new ATOM 0 HG LEU A 166 -10.567 12.913 -9.083 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -10.139 12.155 -6.781 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -11.335 11.137 -7.618 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -9.666 10.558 -7.407 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -8.379 13.299 -8.028 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -7.780 11.782 -8.739 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -8.259 13.131 -9.796 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.932 10.761 -10.966 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.895 11.092 -11.938 1.00 0.79 C ATOM 2561 C LEU A 167 -5.502 9.846 -12.719 1.00 0.87 C ATOM 2562 O LEU A 167 -5.165 9.919 -13.896 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.678 11.703 -11.228 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.573 12.264 -12.136 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -2.849 13.404 -11.437 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -2.575 11.178 -12.515 1.00 1.41 C ATOM 0 H LEU A 167 -6.679 10.949 -9.996 1.00 0.69 H new ATOM 0 HA LEU A 167 -6.283 11.830 -12.640 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -5.028 12.505 -10.578 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -4.238 10.941 -10.585 1.00 0.84 H new ATOM 0 HG LEU A 167 -4.041 12.637 -13.047 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.068 13.794 -12.090 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -3.559 14.198 -11.206 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -2.401 13.038 -10.513 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -1.803 11.601 -13.158 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -2.115 10.776 -11.612 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -3.091 10.379 -13.046 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.586 8.699 -12.061 1.00 0.83 N ATOM 2579 CA VAL A 168 -5.207 7.444 -12.667 1.00 0.96 C ATOM 2580 C VAL A 168 -6.374 6.821 -13.426 1.00 1.01 C ATOM 2581 O VAL A 168 -6.199 6.326 -14.536 1.00 1.14 O ATOM 2582 CB VAL A 168 -4.672 6.470 -11.600 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -4.634 5.053 -12.126 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -3.289 6.902 -11.146 1.00 1.14 C ATOM 0 H VAL A 168 -5.917 8.618 -11.100 1.00 0.83 H new ATOM 0 HA VAL A 168 -4.412 7.645 -13.385 1.00 0.96 H new ATOM 0 HB VAL A 168 -5.350 6.494 -10.747 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -4.252 4.388 -11.352 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -5.640 4.742 -12.408 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -3.982 5.006 -12.998 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -2.920 6.207 -10.392 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -2.611 6.906 -11.999 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -3.342 7.904 -10.721 1.00 1.14 H new