USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 151 SER OG : rot 148:sc= 1.22 USER MOD Set 1.2: A 154 THR OG1 : rot 160:sc= 0.0493 USER MOD Set 2.1: A 104 LYS NZ :NH3+ 177:sc= 0.951 (180deg=0.532) USER MOD Set 2.2: A 135 ASN : amide:sc= 0.101 K(o=1.1,f=-7.5!) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 151:sc= 1.12 (180deg=0) USER MOD Set 3.2: A 22 THR OG1 : rot 180:sc= 0.95 USER MOD Set 4.1: A 16 HIS :FLIP no HE2:sc= -8.98! C(o=-20!,f=-18!) USER MOD Set 4.2: A 19 HIS : no HD1:sc= -4.89! C(o=-18!,f=-31!) USER MOD Set 4.3: A 96 THR OG1 : rot -161:sc= -4.49! USER MOD Single : A 12 THR OG1 : rot 26:sc= 0.349 USER MOD Single : A 14 MET CE :methyl -159:sc= 0 (180deg=-0.532) USER MOD Single : A 23 THR OG1 : rot 180:sc= -2.73! USER MOD Single : A 93 MET CE :methyl -123:sc= 0 (180deg=-0.201) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.89 F(o=-2.7!,f=-1.9) USER MOD Single : A 101 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.5!) USER MOD Single : A 102 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.0079) USER MOD Single : A 107 ASN : amide:sc=-0.00726 K(o=-0.0073,f=-1.1) USER MOD Single : A 115 ASN : amide:sc= -7.27! C(o=-7.3!,f=-14!) USER MOD Single : A 116 LYS NZ :NH3+ -153:sc= 1.74 (180deg=0.958) USER MOD Single : A 117 MET CE :methyl -169:sc= -7.71! (180deg=-7.88!) USER MOD Single : A 119 LYS NZ :NH3+ 154:sc= 2.58 (180deg=2.2) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.135 F(o=-1.2,f=-0.13) USER MOD Single : A 128 MET CE :methyl 151:sc= -1.5 (180deg=-2.75!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl -109:sc= -0.667 (180deg=-4.44!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot -11:sc= 0.0776 USER MOD Single : A 148 CYS SG : rot -110:sc= -2.28 USER MOD Single : A 149 LYS NZ :NH3+ -144:sc= 1.26 (180deg=0.749) USER MOD Single : A 153 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0485) USER MOD Single : A 155 LYS NZ :NH3+ -156:sc= 1.21 (180deg=1.12) USER MOD Single : A 160 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.8!) USER MOD Single : A 164 MET CE :methyl 133:sc= -1.8 (180deg=-4.59!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -11.648 -3.513 -0.471 1.00 0.44 N ATOM 172 CA THR A 12 -11.516 -4.197 0.803 1.00 0.45 C ATOM 173 C THR A 12 -10.648 -3.382 1.760 1.00 0.41 C ATOM 174 O THR A 12 -9.721 -2.703 1.330 1.00 0.50 O ATOM 175 CB THR A 12 -10.890 -5.588 0.594 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.520 -6.242 -0.514 1.00 0.61 O ATOM 177 CG2 THR A 12 -11.040 -6.447 1.841 1.00 0.64 C ATOM 0 HA THR A 12 -12.509 -4.311 1.237 1.00 0.45 H new ATOM 0 HB THR A 12 -9.828 -5.456 0.390 1.00 0.54 H new ATOM 0 HG1 THR A 12 -11.875 -5.569 -1.132 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.589 -7.424 1.666 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.540 -5.962 2.679 1.00 0.64 H new ATOM 0 HG23 THR A 12 -12.098 -6.571 2.072 1.00 0.64 H new ATOM 185 N ILE A 13 -10.961 -3.434 3.047 1.00 0.40 N ATOM 186 CA ILE A 13 -10.163 -2.743 4.050 1.00 0.40 C ATOM 187 C ILE A 13 -9.315 -3.746 4.822 1.00 0.37 C ATOM 188 O ILE A 13 -9.841 -4.602 5.533 1.00 0.52 O ATOM 189 CB ILE A 13 -11.050 -1.944 5.035 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.822 -0.854 4.285 1.00 1.15 C ATOM 191 CG2 ILE A 13 -10.209 -1.330 6.152 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.932 0.163 3.601 1.00 1.30 C ATOM 0 H ILE A 13 -11.760 -3.946 3.421 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.516 -2.037 3.530 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.763 -2.632 5.489 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -12.462 -1.323 3.538 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -12.477 -0.337 4.987 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.856 -0.774 6.831 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.701 -2.122 6.702 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -9.469 -0.655 5.721 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -11.550 0.902 3.091 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -10.310 0.661 4.345 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.295 -0.341 2.874 1.00 1.30 H new ATOM 204 N MET A 14 -8.008 -3.650 4.652 1.00 0.26 N ATOM 205 CA MET A 14 -7.078 -4.547 5.294 1.00 0.28 C ATOM 206 C MET A 14 -6.025 -3.751 6.039 1.00 0.24 C ATOM 207 O MET A 14 -5.968 -2.531 5.917 1.00 0.29 O ATOM 208 CB MET A 14 -6.400 -5.422 4.247 1.00 0.36 C ATOM 209 CG MET A 14 -7.309 -6.454 3.604 1.00 0.49 C ATOM 210 SD MET A 14 -6.448 -7.438 2.362 1.00 0.79 S ATOM 211 CE MET A 14 -7.773 -8.476 1.776 1.00 0.69 C ATOM 0 H MET A 14 -7.566 -2.945 4.063 1.00 0.26 H new ATOM 0 HA MET A 14 -7.622 -5.176 5.998 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.990 -4.781 3.467 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.559 -5.937 4.711 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.710 -7.113 4.374 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.158 -5.951 3.142 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.356 -9.364 1.301 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.400 -8.774 2.616 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.374 -7.925 1.052 1.00 0.69 H new ATOM 221 N GLY A 15 -5.190 -4.438 6.797 1.00 0.27 N ATOM 222 CA GLY A 15 -4.110 -3.781 7.479 1.00 0.27 C ATOM 223 C GLY A 15 -3.770 -4.453 8.783 1.00 0.24 C ATOM 224 O GLY A 15 -4.286 -5.533 9.086 1.00 0.31 O ATOM 0 H GLY A 15 -5.245 -5.445 6.950 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.229 -3.771 6.837 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.380 -2.742 7.667 1.00 0.27 H new ATOM 228 N HIS A 16 -2.887 -3.831 9.543 1.00 0.20 N ATOM 229 CA HIS A 16 -2.497 -4.367 10.837 1.00 0.17 C ATOM 230 C HIS A 16 -3.415 -3.859 11.940 1.00 0.19 C ATOM 231 O HIS A 16 -4.102 -2.847 11.799 1.00 0.22 O ATOM 232 CB HIS A 16 -1.048 -3.999 11.167 1.00 0.17 C ATOM 233 CG HIS A 16 -0.501 -4.691 12.385 1.00 0.16 C ATOM 234 ND1 HIS A 16 0.107 -4.164 13.471 1.00 0.16 N flip ATOM 235 CD2 HIS A 16 -0.592 -6.054 12.542 1.00 0.19 C flip ATOM 236 CE1 HIS A 16 0.397 -5.205 14.312 1.00 0.19 C flip ATOM 237 NE2 HIS A 16 -0.041 -6.320 13.718 1.00 0.22 N flip ATOM 0 H HIS A 16 -2.427 -2.957 9.289 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.584 -5.452 10.779 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.419 -4.242 10.311 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -0.983 -2.921 11.315 1.00 0.17 H new ATOM 0 HD1 HIS A 16 0.311 -3.178 13.633 1.00 0.16 H new ATOM 0 HD2 HIS A 16 -1.023 -6.762 11.850 1.00 0.19 H new ATOM 0 HE1 HIS A 16 0.886 -5.138 15.272 1.00 0.19 H new ATOM 245 N VAL A 17 -3.414 -4.590 13.036 1.00 0.20 N ATOM 246 CA VAL A 17 -4.134 -4.209 14.229 1.00 0.25 C ATOM 247 C VAL A 17 -3.475 -3.001 14.879 1.00 0.26 C ATOM 248 O VAL A 17 -2.255 -2.854 14.822 1.00 0.25 O ATOM 249 CB VAL A 17 -4.169 -5.391 15.210 1.00 0.29 C ATOM 250 CG1 VAL A 17 -2.764 -5.861 15.532 1.00 0.30 C ATOM 251 CG2 VAL A 17 -4.894 -5.046 16.486 1.00 0.36 C ATOM 0 H VAL A 17 -2.909 -5.472 13.122 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.155 -3.940 13.960 1.00 0.25 H new ATOM 0 HB VAL A 17 -4.717 -6.195 14.719 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -2.811 -6.698 16.228 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.268 -6.179 14.615 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.202 -5.044 15.985 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -4.894 -5.911 17.150 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.391 -4.212 16.976 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -5.922 -4.765 16.256 1.00 0.36 H new ATOM 261 N ASP A 18 -4.296 -2.118 15.447 1.00 0.31 N ATOM 262 CA ASP A 18 -3.823 -0.884 16.087 1.00 0.36 C ATOM 263 C ASP A 18 -3.438 0.150 15.029 1.00 0.34 C ATOM 264 O ASP A 18 -3.345 1.344 15.305 1.00 0.41 O ATOM 265 CB ASP A 18 -2.656 -1.156 17.045 1.00 0.42 C ATOM 266 CG ASP A 18 -2.191 0.094 17.766 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.860 0.523 18.731 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.160 0.666 17.358 1.00 0.59 O ATOM 0 H ASP A 18 -5.309 -2.235 15.478 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.641 -0.480 16.683 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -2.959 -1.903 17.779 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -1.822 -1.580 16.485 1.00 0.42 H new ATOM 273 N HIS A 19 -3.227 -0.324 13.809 1.00 0.29 N ATOM 274 CA HIS A 19 -3.059 0.560 12.671 1.00 0.32 C ATOM 275 C HIS A 19 -4.435 0.918 12.139 1.00 0.43 C ATOM 276 O HIS A 19 -4.589 1.794 11.297 1.00 0.63 O ATOM 277 CB HIS A 19 -2.231 -0.092 11.559 1.00 0.29 C ATOM 278 CG HIS A 19 -0.877 -0.551 11.986 1.00 0.22 C ATOM 279 ND1 HIS A 19 0.058 -0.950 11.065 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.354 -0.663 13.229 1.00 0.21 C ATOM 281 CE1 HIS A 19 1.123 -1.294 11.761 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.918 -1.138 13.072 1.00 0.24 N ATOM 0 H HIS A 19 -3.169 -1.317 13.585 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.522 1.451 12.996 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -2.783 -0.945 11.165 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.119 0.620 10.741 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.845 -0.424 14.161 1.00 0.21 H new ATOM 0 HE1 HIS A 19 2.044 -1.656 11.327 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.586 -1.336 13.817 1.00 0.24 H new ATOM 290 N GLY A 20 -5.436 0.210 12.642 1.00 0.42 N ATOM 291 CA GLY A 20 -6.800 0.528 12.318 1.00 0.54 C ATOM 292 C GLY A 20 -7.421 -0.433 11.339 1.00 0.57 C ATOM 293 O GLY A 20 -8.034 -0.009 10.366 1.00 0.79 O ATOM 0 H GLY A 20 -5.320 -0.583 13.273 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.391 0.535 13.234 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -6.842 1.535 11.904 1.00 0.54 H new ATOM 297 N LYS A 21 -7.278 -1.722 11.588 1.00 0.61 N ATOM 298 CA LYS A 21 -7.829 -2.717 10.681 1.00 0.95 C ATOM 299 C LYS A 21 -9.355 -2.576 10.574 1.00 0.89 C ATOM 300 O LYS A 21 -9.900 -2.455 9.481 1.00 1.05 O ATOM 301 CB LYS A 21 -7.417 -4.110 11.154 1.00 1.36 C ATOM 302 CG LYS A 21 -7.573 -5.195 10.096 1.00 1.79 C ATOM 303 CD LYS A 21 -9.000 -5.716 10.019 1.00 2.30 C ATOM 304 CE LYS A 21 -9.345 -6.545 11.245 1.00 2.66 C ATOM 305 NZ LYS A 21 -10.777 -6.939 11.270 1.00 3.31 N ATOM 0 H LYS A 21 -6.792 -2.103 12.400 1.00 0.61 H new ATOM 0 HA LYS A 21 -7.429 -2.559 9.679 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -6.377 -4.080 11.478 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -8.014 -4.378 12.025 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -7.279 -4.798 9.124 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -6.898 -6.020 10.321 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -9.693 -4.878 9.936 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -9.122 -6.321 9.121 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.723 -7.440 11.263 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -9.111 -5.976 12.144 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -10.880 -7.841 11.778 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -11.331 -6.204 11.754 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -11.124 -7.049 10.296 1.00 3.31 H new ATOM 319 N THR A 22 -10.041 -2.581 11.711 1.00 0.84 N ATOM 320 CA THR A 22 -11.487 -2.379 11.728 1.00 0.87 C ATOM 321 C THR A 22 -11.820 -0.926 12.079 1.00 0.79 C ATOM 322 O THR A 22 -12.786 -0.346 11.570 1.00 0.79 O ATOM 323 CB THR A 22 -12.165 -3.317 12.751 1.00 1.02 C ATOM 324 OG1 THR A 22 -11.640 -4.644 12.623 1.00 1.21 O ATOM 325 CG2 THR A 22 -13.670 -3.349 12.546 1.00 1.18 C ATOM 0 H THR A 22 -9.622 -2.722 12.630 1.00 0.84 H new ATOM 0 HA THR A 22 -11.865 -2.609 10.732 1.00 0.87 H new ATOM 0 HB THR A 22 -11.956 -2.934 13.750 1.00 1.02 H new ATOM 0 HG1 THR A 22 -12.074 -5.232 13.276 1.00 1.21 H new ATOM 0 HG21 THR A 22 -14.123 -4.017 13.279 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.076 -2.345 12.670 1.00 1.18 H new ATOM 0 HG23 THR A 22 -13.893 -3.708 11.541 1.00 1.18 H new ATOM 333 N THR A 23 -11.001 -0.340 12.944 1.00 0.75 N ATOM 334 CA THR A 23 -11.177 1.041 13.366 1.00 0.75 C ATOM 335 C THR A 23 -11.191 2.027 12.200 1.00 0.67 C ATOM 336 O THR A 23 -11.718 3.120 12.337 1.00 0.66 O ATOM 337 CB THR A 23 -10.073 1.448 14.343 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.031 0.463 14.328 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.624 1.605 15.750 1.00 1.17 C ATOM 0 H THR A 23 -10.201 -0.807 13.370 1.00 0.75 H new ATOM 0 HA THR A 23 -12.152 1.085 13.851 1.00 0.75 H new ATOM 0 HB THR A 23 -9.668 2.410 14.029 1.00 0.82 H new ATOM 0 HG1 THR A 23 -8.323 0.726 14.953 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.819 1.895 16.426 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.396 2.374 15.755 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.052 0.659 16.081 1.00 1.17 H new ATOM 347 N LEU A 24 -10.640 1.643 11.056 1.00 0.65 N ATOM 348 CA LEU A 24 -10.612 2.523 9.904 1.00 0.63 C ATOM 349 C LEU A 24 -11.998 2.553 9.295 1.00 0.64 C ATOM 350 O LEU A 24 -12.456 3.577 8.815 1.00 0.65 O ATOM 351 CB LEU A 24 -9.605 2.017 8.894 1.00 0.67 C ATOM 352 CG LEU A 24 -8.869 3.079 8.063 1.00 0.84 C ATOM 353 CD1 LEU A 24 -9.822 3.828 7.143 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.132 4.053 8.974 1.00 1.30 C ATOM 0 H LEU A 24 -10.209 0.731 10.905 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.318 3.529 10.204 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -8.860 1.423 9.424 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.120 1.344 8.208 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.141 2.563 7.437 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -9.267 4.571 6.571 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -10.296 3.124 6.459 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -10.587 4.326 7.739 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.616 4.798 8.368 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.847 4.550 9.630 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.405 3.509 9.576 1.00 1.30 H new ATOM 366 N LEU A 25 -12.673 1.416 9.367 1.00 0.68 N ATOM 367 CA LEU A 25 -14.029 1.290 8.874 1.00 0.75 C ATOM 368 C LEU A 25 -14.967 2.126 9.729 1.00 0.74 C ATOM 369 O LEU A 25 -16.032 2.532 9.277 1.00 0.82 O ATOM 370 CB LEU A 25 -14.462 -0.171 8.918 1.00 0.85 C ATOM 371 CG LEU A 25 -15.358 -0.598 7.770 1.00 0.92 C ATOM 372 CD1 LEU A 25 -14.599 -0.462 6.465 1.00 1.63 C ATOM 373 CD2 LEU A 25 -15.841 -2.020 7.974 1.00 1.69 C ATOM 0 H LEU A 25 -12.294 0.558 9.769 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.068 1.645 7.844 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -13.572 -0.800 8.921 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -14.984 -0.354 9.857 1.00 0.85 H new ATOM 0 HG LEU A 25 -16.236 0.047 7.736 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -15.240 -0.768 5.638 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -14.298 0.576 6.326 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -13.713 -1.096 6.492 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -16.482 -2.309 7.141 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -14.984 -2.692 8.023 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -16.405 -2.083 8.905 1.00 1.69 H new ATOM 385 N ASP A 26 -14.559 2.389 10.962 1.00 0.71 N ATOM 386 CA ASP A 26 -15.358 3.215 11.857 1.00 0.75 C ATOM 387 C ASP A 26 -14.922 4.653 11.745 1.00 0.70 C ATOM 388 O ASP A 26 -15.734 5.580 11.755 1.00 0.76 O ATOM 389 CB ASP A 26 -15.217 2.778 13.296 1.00 0.81 C ATOM 390 CG ASP A 26 -16.190 3.512 14.202 1.00 1.01 C ATOM 391 OD1 ASP A 26 -17.348 3.066 14.322 1.00 1.13 O ATOM 392 OD2 ASP A 26 -15.786 4.522 14.817 1.00 1.23 O ATOM 0 H ASP A 26 -13.687 2.046 11.364 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.401 3.105 11.561 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.390 1.704 13.369 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.197 2.960 13.634 1.00 0.81 H new ATOM 397 N ALA A 27 -13.623 4.823 11.631 1.00 0.63 N ATOM 398 CA ALA A 27 -13.026 6.133 11.460 1.00 0.61 C ATOM 399 C ALA A 27 -13.526 6.760 10.171 1.00 0.58 C ATOM 400 O ALA A 27 -13.763 7.966 10.092 1.00 0.62 O ATOM 401 CB ALA A 27 -11.518 5.997 11.431 1.00 0.61 C ATOM 0 H ALA A 27 -12.949 4.058 11.654 1.00 0.63 H new ATOM 0 HA ALA A 27 -13.309 6.777 12.293 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.066 6.981 11.302 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.174 5.559 12.368 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.227 5.353 10.601 1.00 0.61 H new ATOM 407 N ILE A 28 -13.704 5.913 9.175 1.00 0.56 N ATOM 408 CA ILE A 28 -14.164 6.325 7.866 1.00 0.57 C ATOM 409 C ILE A 28 -15.644 6.716 7.919 1.00 0.64 C ATOM 410 O ILE A 28 -16.123 7.489 7.091 1.00 0.71 O ATOM 411 CB ILE A 28 -13.909 5.189 6.846 1.00 0.61 C ATOM 412 CG1 ILE A 28 -13.552 5.742 5.476 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.101 4.245 6.736 1.00 1.02 C ATOM 414 CD1 ILE A 28 -12.863 4.707 4.619 1.00 0.85 C ATOM 0 H ILE A 28 -13.531 4.911 9.254 1.00 0.56 H new ATOM 0 HA ILE A 28 -13.607 7.204 7.543 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.060 4.618 7.221 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -14.457 6.086 4.975 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -12.903 6.610 5.592 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.880 3.463 6.010 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.298 3.793 7.708 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -15.979 4.804 6.412 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -12.624 5.140 3.648 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -11.944 4.383 5.108 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.523 3.850 4.482 1.00 0.85 H new ATOM 1221 N ILE A 81 -10.047 -3.212 -6.012 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.904 -2.724 -5.257 1.00 0.42 C ATOM 1223 C ILE A 81 -9.036 -3.024 -3.768 1.00 0.38 C ATOM 1224 O ILE A 81 -10.139 -3.063 -3.227 1.00 0.57 O ATOM 1225 CB ILE A 81 -8.770 -1.202 -5.448 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -8.744 -0.856 -6.936 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -7.521 -0.682 -4.763 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -8.768 0.631 -7.208 1.00 0.71 C ATOM 0 HA ILE A 81 -8.019 -3.238 -5.633 1.00 0.42 H new ATOM 0 HB ILE A 81 -9.635 -0.721 -4.991 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -7.849 -1.286 -7.386 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -9.600 -1.321 -7.424 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -7.447 0.395 -4.911 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.574 -0.899 -3.696 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -6.643 -1.168 -5.189 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -8.748 0.804 -8.284 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -9.676 1.063 -6.788 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -7.897 1.099 -6.749 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.906 -3.235 -3.113 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.891 -3.382 -1.667 1.00 0.28 C ATOM 1242 C VAL A 82 -7.080 -2.262 -1.028 1.00 0.23 C ATOM 1243 O VAL A 82 -6.045 -1.842 -1.546 1.00 0.26 O ATOM 1244 CB VAL A 82 -7.307 -4.738 -1.211 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.879 -4.882 -1.686 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.369 -4.877 0.309 1.00 1.17 C ATOM 0 H VAL A 82 -6.991 -3.308 -3.557 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.931 -3.334 -1.343 1.00 0.28 H new ATOM 0 HB VAL A 82 -7.910 -5.531 -1.653 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.481 -5.842 -1.357 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.851 -4.831 -2.774 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -5.274 -4.077 -1.269 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.952 -5.840 0.604 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.793 -4.075 0.771 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -8.406 -4.815 0.638 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.578 -1.776 0.082 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.870 -0.814 0.885 1.00 0.19 C ATOM 1258 C ILE A 83 -6.120 -1.515 1.979 1.00 0.19 C ATOM 1259 O ILE A 83 -6.665 -2.360 2.682 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.814 0.231 1.496 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.354 1.084 0.369 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.097 1.080 2.544 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.147 2.289 0.822 1.00 0.37 C ATOM 0 H ILE A 83 -8.490 -2.039 0.454 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.172 -0.291 0.231 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.636 -0.265 2.012 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.520 1.423 -0.245 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.987 0.466 -0.267 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.792 1.811 2.958 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.728 0.437 3.343 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.259 1.599 2.080 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.496 2.843 -0.049 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -10.004 1.961 1.410 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.514 2.933 1.432 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.870 -1.168 2.107 1.00 0.19 N ATOM 1276 CA LEU A 84 -4.032 -1.760 3.106 1.00 0.23 C ATOM 1277 C LEU A 84 -3.580 -0.660 4.062 1.00 0.24 C ATOM 1278 O LEU A 84 -2.798 0.215 3.695 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.862 -2.492 2.421 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.777 -3.080 3.327 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.784 -2.003 3.695 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.371 -3.717 4.578 1.00 1.01 C ATOM 0 H LEU A 84 -4.407 -0.470 1.524 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.566 -2.508 3.691 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -3.276 -3.302 1.820 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.385 -1.795 1.732 1.00 0.39 H new ATOM 0 HG LEU A 84 -1.264 -3.870 2.778 1.00 0.31 H new ATOM 0 HD11 LEU A 84 -0.013 -2.424 4.340 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.324 -1.608 2.789 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.298 -1.199 4.222 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.570 -4.123 5.195 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.919 -2.964 5.144 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -3.049 -4.520 4.290 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.124 -0.678 5.261 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.848 0.347 6.249 1.00 0.27 C ATOM 1296 C VAL A 85 -2.644 -0.024 7.108 1.00 0.25 C ATOM 1297 O VAL A 85 -2.654 -1.031 7.819 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.075 0.566 7.154 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.801 1.666 8.153 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.310 0.886 6.322 1.00 0.40 C ATOM 0 H VAL A 85 -4.769 -1.402 5.579 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.623 1.269 5.713 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.269 -0.356 7.702 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.677 1.809 8.786 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.947 1.391 8.772 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.581 2.593 7.623 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.164 1.037 6.982 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.134 1.793 5.743 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.517 0.058 5.644 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.603 0.784 7.009 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.420 0.621 7.828 1.00 0.20 C ATOM 1312 C VAL A 86 -0.141 1.879 8.627 1.00 0.17 C ATOM 1313 O VAL A 86 -0.250 2.991 8.118 1.00 0.22 O ATOM 1314 CB VAL A 86 0.816 0.295 6.978 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.791 -1.156 6.531 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.908 1.226 5.777 1.00 0.64 C ATOM 0 H VAL A 86 -1.556 1.569 6.359 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.616 -0.212 8.504 1.00 0.20 H new ATOM 0 HB VAL A 86 1.702 0.448 7.594 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.675 -1.367 5.930 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.783 -1.806 7.406 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.104 -1.338 5.936 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.792 0.976 5.190 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.017 1.112 5.159 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.981 2.258 6.121 1.00 0.64 H new ATOM 1326 N ALA A 87 0.209 1.698 9.880 1.00 0.17 N ATOM 1327 CA ALA A 87 0.585 2.808 10.730 1.00 0.18 C ATOM 1328 C ALA A 87 1.980 3.285 10.374 1.00 0.16 C ATOM 1329 O ALA A 87 2.888 2.473 10.229 1.00 0.24 O ATOM 1330 CB ALA A 87 0.535 2.383 12.185 1.00 0.28 C ATOM 0 H ALA A 87 0.242 0.787 10.337 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.117 3.628 10.576 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.819 3.223 12.819 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.477 2.064 12.436 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.227 1.556 12.347 1.00 0.28 H new ATOM 1336 N ALA A 88 2.172 4.592 10.247 1.00 0.12 N ATOM 1337 CA ALA A 88 3.484 5.110 9.892 1.00 0.14 C ATOM 1338 C ALA A 88 4.396 5.075 11.089 1.00 0.16 C ATOM 1339 O ALA A 88 5.608 5.226 10.967 1.00 0.22 O ATOM 1340 CB ALA A 88 3.391 6.527 9.367 1.00 0.17 C ATOM 0 H ALA A 88 1.450 5.300 10.382 1.00 0.12 H new ATOM 0 HA ALA A 88 3.891 4.477 9.104 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.388 6.886 9.110 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.759 6.545 8.479 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.959 7.171 10.133 1.00 0.17 H new ATOM 1346 N ASP A 89 3.803 4.898 12.249 1.00 0.16 N ATOM 1347 CA ASP A 89 4.585 4.807 13.473 1.00 0.21 C ATOM 1348 C ASP A 89 5.045 3.369 13.721 1.00 0.22 C ATOM 1349 O ASP A 89 5.894 3.117 14.577 1.00 0.37 O ATOM 1350 CB ASP A 89 3.775 5.329 14.662 1.00 0.30 C ATOM 1351 CG ASP A 89 3.090 4.231 15.458 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.296 3.470 14.878 1.00 0.47 O ATOM 1353 OD2 ASP A 89 3.319 4.156 16.684 1.00 0.58 O ATOM 0 H ASP A 89 2.794 4.814 12.376 1.00 0.16 H new ATOM 0 HA ASP A 89 5.473 5.429 13.359 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.436 5.888 15.324 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.021 6.028 14.299 1.00 0.30 H new ATOM 1358 N ASP A 90 4.500 2.434 12.949 1.00 0.19 N ATOM 1359 CA ASP A 90 4.801 1.018 13.139 1.00 0.23 C ATOM 1360 C ASP A 90 5.241 0.388 11.818 1.00 0.25 C ATOM 1361 O ASP A 90 6.413 0.051 11.654 1.00 0.42 O ATOM 1362 CB ASP A 90 3.579 0.301 13.714 1.00 0.26 C ATOM 1363 CG ASP A 90 3.924 -1.004 14.406 1.00 0.36 C ATOM 1364 OD1 ASP A 90 5.078 -1.146 14.867 1.00 0.56 O ATOM 1365 OD2 ASP A 90 3.062 -1.908 14.453 1.00 0.46 O ATOM 0 H ASP A 90 3.850 2.630 12.188 1.00 0.19 H new ATOM 0 HA ASP A 90 5.623 0.916 13.848 1.00 0.23 H new ATOM 0 HB2 ASP A 90 3.079 0.960 14.424 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.870 0.102 12.910 1.00 0.26 H new ATOM 1370 N GLY A 91 4.314 0.252 10.873 1.00 0.20 N ATOM 1371 CA GLY A 91 4.665 -0.204 9.531 1.00 0.21 C ATOM 1372 C GLY A 91 3.937 -1.472 9.121 1.00 0.22 C ATOM 1373 O GLY A 91 2.751 -1.619 9.394 1.00 0.37 O ATOM 0 H GLY A 91 3.323 0.449 11.010 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.438 0.586 8.815 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.740 -0.378 9.483 1.00 0.21 H new ATOM 1377 N VAL A 92 4.634 -2.382 8.450 1.00 0.26 N ATOM 1378 CA VAL A 92 4.033 -3.654 8.046 1.00 0.26 C ATOM 1379 C VAL A 92 4.366 -4.724 9.081 1.00 0.24 C ATOM 1380 O VAL A 92 5.475 -4.779 9.614 1.00 0.28 O ATOM 1381 CB VAL A 92 4.503 -4.100 6.636 1.00 0.32 C ATOM 1382 CG1 VAL A 92 5.976 -4.471 6.634 1.00 0.96 C ATOM 1383 CG2 VAL A 92 3.654 -5.254 6.125 1.00 1.03 C ATOM 0 H VAL A 92 5.609 -2.267 8.174 1.00 0.26 H new ATOM 0 HA VAL A 92 2.953 -3.515 7.993 1.00 0.26 H new ATOM 0 HB VAL A 92 4.375 -3.254 5.961 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.272 -4.779 5.631 1.00 0.96 H new ATOM 0 HG12 VAL A 92 6.569 -3.609 6.939 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.145 -5.292 7.330 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.001 -5.551 5.135 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.740 -6.099 6.808 1.00 1.03 H new ATOM 0 HG23 VAL A 92 2.612 -4.940 6.065 1.00 1.03 H new ATOM 1393 N MET A 93 3.387 -5.553 9.371 1.00 0.22 N ATOM 1394 CA MET A 93 3.453 -6.505 10.467 1.00 0.22 C ATOM 1395 C MET A 93 2.820 -7.827 10.013 1.00 0.22 C ATOM 1396 O MET A 93 2.349 -7.911 8.879 1.00 0.23 O ATOM 1397 CB MET A 93 2.702 -5.910 11.666 1.00 0.21 C ATOM 1398 CG MET A 93 3.169 -4.511 12.044 1.00 0.23 C ATOM 1399 SD MET A 93 4.752 -4.509 12.899 1.00 0.28 S ATOM 1400 CE MET A 93 4.218 -5.047 14.515 1.00 0.27 C ATOM 0 H MET A 93 2.512 -5.588 8.849 1.00 0.22 H new ATOM 0 HA MET A 93 4.484 -6.702 10.760 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.637 -5.879 11.438 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.825 -6.570 12.525 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.248 -3.904 11.142 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.418 -4.042 12.679 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.511 -4.307 15.260 1.00 0.27 H new ATOM 0 HE2 MET A 93 3.134 -5.159 14.521 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.683 -6.004 14.752 1.00 0.27 H new ATOM 1410 N PRO A 94 2.806 -8.878 10.863 1.00 0.25 N ATOM 1411 CA PRO A 94 2.241 -10.191 10.503 1.00 0.30 C ATOM 1412 C PRO A 94 0.867 -10.128 9.820 1.00 0.28 C ATOM 1413 O PRO A 94 0.744 -10.498 8.652 1.00 0.31 O ATOM 1414 CB PRO A 94 2.146 -10.909 11.845 1.00 0.37 C ATOM 1415 CG PRO A 94 3.257 -10.332 12.649 1.00 0.58 C ATOM 1416 CD PRO A 94 3.382 -8.895 12.226 1.00 0.30 C ATOM 0 HA PRO A 94 2.865 -10.693 9.764 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.180 -10.738 12.320 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.257 -11.987 11.728 1.00 0.37 H new ATOM 0 HG2 PRO A 94 3.044 -10.406 13.715 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.187 -10.872 12.471 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.839 -8.231 12.898 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.421 -8.567 12.225 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.169 -9.658 10.516 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.508 -9.666 9.940 1.00 0.32 C ATOM 1426 C GLN A 95 -1.621 -8.637 8.816 1.00 0.31 C ATOM 1427 O GLN A 95 -2.538 -8.688 7.997 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.580 -9.426 11.006 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.894 -7.964 11.272 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.266 -7.775 11.898 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.341 -7.736 13.219 1.00 0.75 O flip ATOM 1432 NE2 GLN A 95 -5.261 -7.645 11.189 1.00 0.34 N flip ATOM 0 H GLN A 95 -0.107 -9.275 11.459 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.679 -10.656 9.518 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.497 -9.931 10.700 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.257 -9.890 11.938 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.135 -7.546 11.933 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.844 -7.407 10.336 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -5.172 -7.680 10.174 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -6.176 -7.502 11.616 1.00 0.34 H new ATOM 1441 N THR A 96 -0.671 -7.716 8.782 1.00 0.26 N ATOM 1442 CA THR A 96 -0.624 -6.697 7.749 1.00 0.25 C ATOM 1443 C THR A 96 -0.265 -7.334 6.423 1.00 0.25 C ATOM 1444 O THR A 96 -0.938 -7.125 5.417 1.00 0.31 O ATOM 1445 CB THR A 96 0.415 -5.630 8.074 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.648 -5.617 9.480 1.00 0.24 O ATOM 1447 CG2 THR A 96 -0.061 -4.262 7.626 1.00 0.28 C ATOM 0 H THR A 96 0.084 -7.655 9.465 1.00 0.26 H new ATOM 0 HA THR A 96 -1.607 -6.228 7.695 1.00 0.25 H new ATOM 0 HB THR A 96 1.338 -5.865 7.544 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.064 -4.767 9.735 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.696 -3.516 7.868 1.00 0.28 H new ATOM 0 HG22 THR A 96 -0.231 -4.270 6.549 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.991 -4.015 8.138 1.00 0.28 H new ATOM 1455 N VAL A 97 0.794 -8.133 6.431 1.00 0.25 N ATOM 1456 CA VAL A 97 1.233 -8.785 5.230 1.00 0.31 C ATOM 1457 C VAL A 97 0.329 -9.954 4.836 1.00 0.23 C ATOM 1458 O VAL A 97 0.194 -10.249 3.660 1.00 0.24 O ATOM 1459 CB VAL A 97 2.695 -9.246 5.318 1.00 0.48 C ATOM 1460 CG1 VAL A 97 2.955 -10.084 6.554 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.051 -10.025 4.080 1.00 1.38 C ATOM 0 H VAL A 97 1.355 -8.337 7.258 1.00 0.25 H new ATOM 0 HA VAL A 97 1.165 -8.032 4.445 1.00 0.31 H new ATOM 0 HB VAL A 97 3.323 -8.358 5.392 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.002 -10.388 6.574 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.730 -9.498 7.445 1.00 1.02 H new ATOM 0 HG13 VAL A 97 2.321 -10.970 6.533 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.089 -10.352 4.142 1.00 1.38 H new ATOM 0 HG22 VAL A 97 2.400 -10.895 3.998 1.00 1.38 H new ATOM 0 HG23 VAL A 97 2.922 -9.392 3.202 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.309 -10.607 5.799 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.278 -11.657 5.469 1.00 0.29 C ATOM 1473 C GLU A 98 -2.373 -11.091 4.576 1.00 0.31 C ATOM 1474 O GLU A 98 -2.938 -11.791 3.736 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.880 -12.237 6.744 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.884 -13.037 7.559 1.00 0.92 C ATOM 1477 CD GLU A 98 -0.510 -14.341 6.888 1.00 1.64 C ATOM 1478 OE1 GLU A 98 0.289 -14.318 5.929 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -1.023 -15.400 7.312 1.00 1.97 O ATOM 0 H GLU A 98 -0.181 -10.437 6.797 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.766 -12.456 4.933 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.273 -11.425 7.356 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.724 -12.876 6.483 1.00 0.39 H new ATOM 0 HG2 GLU A 98 0.015 -12.441 7.717 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -1.306 -13.245 8.542 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.648 -9.808 4.756 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.577 -9.094 3.905 1.00 0.35 C ATOM 1488 C ALA A 99 -2.976 -8.882 2.517 1.00 0.34 C ATOM 1489 O ALA A 99 -3.651 -9.054 1.502 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.944 -7.766 4.542 1.00 0.39 C ATOM 0 H ALA A 99 -2.234 -9.238 5.494 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.483 -9.689 3.792 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.643 -7.234 3.897 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.409 -7.944 5.512 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -3.044 -7.165 4.675 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.687 -8.548 2.483 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.976 -8.335 1.239 1.00 0.29 C ATOM 1498 C ILE A 100 -0.868 -9.648 0.481 1.00 0.29 C ATOM 1499 O ILE A 100 -1.091 -9.720 -0.726 1.00 0.34 O ATOM 1500 CB ILE A 100 0.441 -7.818 1.522 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.385 -6.494 2.289 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.205 -7.666 0.221 1.00 0.36 C ATOM 1503 CD1 ILE A 100 1.711 -6.085 2.892 1.00 0.41 C ATOM 0 H ILE A 100 -1.115 -8.420 3.317 1.00 0.28 H new ATOM 0 HA ILE A 100 -1.524 -7.602 0.647 1.00 0.29 H new ATOM 0 HB ILE A 100 0.966 -8.541 2.146 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.044 -5.708 1.615 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -0.356 -6.576 3.084 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.210 -7.299 0.430 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.269 -8.633 -0.279 1.00 0.36 H new ATOM 0 HG23 ILE A 100 0.687 -6.957 -0.425 1.00 0.36 H new ATOM 0 HD11 ILE A 100 1.594 -5.138 3.419 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.044 -6.851 3.592 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.451 -5.970 2.100 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.529 -10.677 1.233 1.00 0.29 N ATOM 1516 CA ASN A 101 -0.381 -12.021 0.721 1.00 0.34 C ATOM 1517 C ASN A 101 -1.653 -12.482 0.043 1.00 0.36 C ATOM 1518 O ASN A 101 -1.605 -13.077 -1.029 1.00 0.43 O ATOM 1519 CB ASN A 101 -0.012 -12.968 1.875 1.00 0.44 C ATOM 1520 CG ASN A 101 1.438 -12.872 2.284 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.307 -12.516 1.486 1.00 0.67 O ATOM 1522 ND2 ASN A 101 1.710 -13.212 3.529 1.00 0.64 N ATOM 0 H ASN A 101 -0.346 -10.599 2.233 1.00 0.29 H new ATOM 0 HA ASN A 101 0.416 -12.031 -0.023 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.641 -12.743 2.736 1.00 0.44 H new ATOM 0 HB3 ASN A 101 -0.232 -13.994 1.579 1.00 0.44 H new ATOM 0 HD21 ASN A 101 2.672 -13.186 3.866 1.00 0.64 H new ATOM 0 HD22 ASN A 101 0.958 -13.500 4.155 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.789 -12.183 0.654 1.00 0.35 N ATOM 1530 CA HIS A 102 -4.071 -12.539 0.080 1.00 0.43 C ATOM 1531 C HIS A 102 -4.351 -11.665 -1.141 1.00 0.37 C ATOM 1532 O HIS A 102 -4.940 -12.119 -2.124 1.00 0.41 O ATOM 1533 CB HIS A 102 -5.179 -12.373 1.126 1.00 0.61 C ATOM 1534 CG HIS A 102 -6.462 -13.052 0.756 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -7.042 -14.044 1.514 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -7.273 -12.870 -0.305 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -8.153 -14.446 0.929 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -8.320 -13.748 -0.177 1.00 1.91 N ATOM 0 H HIS A 102 -2.846 -11.694 1.548 1.00 0.35 H new ATOM 0 HA HIS A 102 -4.047 -13.582 -0.235 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.829 -12.770 2.079 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -5.370 -11.310 1.275 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -7.126 -12.163 -1.108 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.815 -15.217 1.294 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -9.098 -13.845 -0.829 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.912 -10.417 -1.074 1.00 0.37 N ATOM 1548 CA ALA A 103 -4.144 -9.464 -2.146 1.00 0.41 C ATOM 1549 C ALA A 103 -3.377 -9.843 -3.407 1.00 0.40 C ATOM 1550 O ALA A 103 -3.964 -9.948 -4.485 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.769 -8.061 -1.699 1.00 0.47 C ATOM 0 H ALA A 103 -3.390 -10.040 -0.283 1.00 0.37 H new ATOM 0 HA ALA A 103 -5.207 -9.486 -2.385 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.949 -7.359 -2.514 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -4.374 -7.780 -0.837 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.714 -8.036 -1.425 1.00 0.47 H new ATOM 1557 N LYS A 104 -2.069 -10.065 -3.287 1.00 0.41 N ATOM 1558 CA LYS A 104 -1.259 -10.365 -4.453 1.00 0.49 C ATOM 1559 C LYS A 104 -1.485 -11.788 -4.916 1.00 0.54 C ATOM 1560 O LYS A 104 -1.231 -12.124 -6.071 1.00 0.66 O ATOM 1561 CB LYS A 104 0.195 -10.136 -4.125 1.00 0.61 C ATOM 1562 CG LYS A 104 0.394 -8.874 -3.323 1.00 0.70 C ATOM 1563 CD LYS A 104 1.849 -8.482 -3.258 1.00 0.84 C ATOM 1564 CE LYS A 104 2.377 -8.135 -4.640 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.819 -7.792 -4.628 1.00 1.66 N ATOM 0 H LYS A 104 -1.558 -10.042 -2.404 1.00 0.41 H new ATOM 0 HA LYS A 104 -1.551 -9.702 -5.268 1.00 0.49 H new ATOM 0 HB2 LYS A 104 0.580 -10.988 -3.565 1.00 0.61 H new ATOM 0 HB3 LYS A 104 0.771 -10.075 -5.048 1.00 0.61 H new ATOM 0 HG2 LYS A 104 -0.182 -8.064 -3.769 1.00 0.70 H new ATOM 0 HG3 LYS A 104 0.010 -9.019 -2.313 1.00 0.70 H new ATOM 0 HD2 LYS A 104 1.971 -7.628 -2.592 1.00 0.84 H new ATOM 0 HD3 LYS A 104 2.432 -9.300 -2.836 1.00 0.84 H new ATOM 0 HE2 LYS A 104 2.213 -8.979 -5.310 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.810 -7.295 -5.041 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 4.141 -7.613 -5.600 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.968 -6.940 -4.051 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 4.361 -8.583 -4.224 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.947 -12.618 -4.000 1.00 0.51 N ATOM 1580 CA ALA A 105 -2.383 -13.973 -4.351 1.00 0.61 C ATOM 1581 C ALA A 105 -3.496 -13.924 -5.396 1.00 0.62 C ATOM 1582 O ALA A 105 -3.576 -14.776 -6.283 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.868 -14.730 -3.127 1.00 0.65 C ATOM 0 H ALA A 105 -2.033 -12.388 -3.010 1.00 0.51 H new ATOM 0 HA ALA A 105 -1.522 -14.498 -4.765 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -3.184 -15.731 -3.420 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -2.059 -14.803 -2.400 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.709 -14.200 -2.681 1.00 0.65 H new ATOM 1589 N ALA A 106 -4.358 -12.920 -5.278 1.00 0.54 N ATOM 1590 CA ALA A 106 -5.446 -12.735 -6.226 1.00 0.64 C ATOM 1591 C ALA A 106 -4.997 -11.896 -7.422 1.00 0.64 C ATOM 1592 O ALA A 106 -5.622 -11.934 -8.478 1.00 0.74 O ATOM 1593 CB ALA A 106 -6.647 -12.092 -5.545 1.00 0.68 C ATOM 0 H ALA A 106 -4.323 -12.223 -4.534 1.00 0.54 H new ATOM 0 HA ALA A 106 -5.741 -13.718 -6.594 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -7.450 -11.962 -6.270 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.991 -12.733 -4.733 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -6.360 -11.120 -5.143 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.917 -11.128 -7.210 1.00 0.59 N ATOM 1600 CA ASN A 107 -3.280 -10.306 -8.248 1.00 0.65 C ATOM 1601 C ASN A 107 -4.036 -8.998 -8.382 1.00 0.60 C ATOM 1602 O ASN A 107 -4.589 -8.668 -9.432 1.00 0.85 O ATOM 1603 CB ASN A 107 -3.185 -11.031 -9.590 1.00 0.85 C ATOM 1604 CG ASN A 107 -2.312 -10.314 -10.590 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -1.394 -9.577 -10.227 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -2.577 -10.547 -11.860 1.00 1.41 N ATOM 0 H ASN A 107 -3.457 -11.060 -6.302 1.00 0.59 H new ATOM 0 HA ASN A 107 -2.254 -10.104 -7.941 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -2.792 -12.034 -9.427 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -4.186 -11.145 -10.006 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -2.012 -10.110 -12.588 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -3.347 -11.165 -12.115 1.00 1.41 H new ATOM 1613 N VAL A 108 -4.045 -8.261 -7.289 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.875 -7.089 -7.149 1.00 0.42 C ATOM 1615 C VAL A 108 -4.035 -5.824 -6.957 1.00 0.37 C ATOM 1616 O VAL A 108 -3.012 -5.846 -6.269 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.805 -7.279 -5.937 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -6.317 -5.946 -5.450 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.962 -8.206 -6.290 1.00 1.35 C ATOM 0 H VAL A 108 -3.472 -8.463 -6.470 1.00 0.44 H new ATOM 0 HA VAL A 108 -5.457 -6.967 -8.062 1.00 0.42 H new ATOM 0 HB VAL A 108 -5.233 -7.740 -5.132 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.973 -6.099 -4.593 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -5.476 -5.319 -5.156 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -6.873 -5.456 -6.249 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.608 -8.328 -5.421 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -7.535 -7.776 -7.111 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.571 -9.178 -6.591 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.443 -4.714 -7.597 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.875 -3.389 -7.337 1.00 0.33 C ATOM 1631 C PRO A 109 -4.265 -2.879 -5.953 1.00 0.28 C ATOM 1632 O PRO A 109 -5.392 -3.092 -5.500 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.505 -2.501 -8.413 1.00 0.37 C ATOM 1634 CG PRO A 109 -5.088 -3.439 -9.415 1.00 0.47 C ATOM 1635 CD PRO A 109 -5.471 -4.666 -8.643 1.00 0.40 C ATOM 0 HA PRO A 109 -2.785 -3.399 -7.365 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.273 -1.855 -7.988 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.759 -1.851 -8.871 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.955 -2.998 -9.906 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -4.366 -3.677 -10.196 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -6.474 -4.585 -8.224 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -5.457 -5.559 -9.267 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.358 -2.187 -5.281 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.603 -1.833 -3.900 1.00 0.21 C ATOM 1645 C ILE A 110 -3.752 -0.327 -3.704 1.00 0.19 C ATOM 1646 O ILE A 110 -3.357 0.484 -4.544 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.487 -2.411 -2.985 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.584 -3.940 -2.961 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.529 -1.844 -1.570 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.233 -4.546 -1.621 1.00 0.60 C ATOM 0 H ILE A 110 -2.467 -1.868 -5.662 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.555 -2.280 -3.613 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.528 -2.109 -3.406 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -3.598 -4.236 -3.230 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.920 -4.350 -3.722 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.727 -2.284 -0.978 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.401 -0.762 -1.608 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.490 -2.080 -1.112 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.323 -5.631 -1.677 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -1.209 -4.280 -1.359 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -2.913 -4.164 -0.860 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.357 0.005 -2.587 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.479 1.369 -2.108 1.00 0.18 C ATOM 1664 C ILE A 111 -4.021 1.371 -0.664 1.00 0.16 C ATOM 1665 O ILE A 111 -4.812 1.173 0.258 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.929 1.923 -2.186 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.361 2.121 -3.634 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.045 3.246 -1.432 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.585 3.200 -4.348 1.00 0.37 C ATOM 0 H ILE A 111 -4.790 -0.681 -1.968 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.873 2.015 -2.743 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.587 1.189 -1.720 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.242 1.181 -4.173 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.422 2.370 -3.658 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.068 3.615 -1.500 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.784 3.092 -0.385 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.366 3.976 -1.872 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -5.944 3.288 -5.374 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.724 4.150 -3.832 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.526 2.943 -4.355 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.731 1.516 -0.467 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.196 1.546 0.862 1.00 0.18 C ATOM 1683 C VAL A 112 -2.559 2.845 1.508 1.00 0.20 C ATOM 1684 O VAL A 112 -2.668 3.879 0.856 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.677 1.380 0.890 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.168 1.351 2.302 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.274 0.114 0.192 1.00 0.19 C ATOM 0 H VAL A 112 -2.040 1.614 -1.211 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.626 0.705 1.405 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.240 2.234 0.372 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.915 1.232 2.296 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.428 2.284 2.802 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.622 0.516 2.835 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.811 0.012 0.221 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.733 -0.739 0.692 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.607 0.149 -0.845 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.742 2.779 2.783 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.137 3.927 3.538 1.00 0.24 C ATOM 1699 C ALA A 113 -2.426 3.955 4.865 1.00 0.25 C ATOM 1700 O ALA A 113 -2.716 3.177 5.769 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.641 3.954 3.698 1.00 0.29 C ATOM 0 H ALA A 113 -2.623 1.929 3.335 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.848 4.829 2.998 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.930 4.833 4.275 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.111 3.994 2.715 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -4.968 3.054 4.220 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.463 4.844 4.940 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.713 5.067 6.144 1.00 0.27 C ATOM 1709 C ILE A 114 -1.581 5.821 7.133 1.00 0.30 C ATOM 1710 O ILE A 114 -2.242 6.771 6.757 1.00 0.50 O ATOM 1711 CB ILE A 114 0.568 5.876 5.836 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.599 4.999 5.118 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.156 6.469 7.097 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.442 4.958 3.610 1.00 0.59 C ATOM 0 H ILE A 114 -1.179 5.435 4.158 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.418 4.109 6.571 1.00 0.27 H new ATOM 0 HB ILE A 114 0.295 6.699 5.176 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.598 5.363 5.358 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.528 3.983 5.507 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.056 7.032 6.849 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.427 7.134 7.560 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.409 5.668 7.792 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.211 4.315 3.181 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.458 4.564 3.357 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.544 5.965 3.206 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.602 5.392 8.377 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.363 6.093 9.401 1.00 0.22 C ATOM 1728 C ASN A 115 -1.379 6.667 10.375 1.00 0.20 C ATOM 1729 O ASN A 115 -0.168 6.464 10.219 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.373 5.148 10.086 1.00 0.33 C ATOM 1731 CG ASN A 115 -2.859 4.451 11.331 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -1.689 4.141 11.455 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -3.749 4.198 12.272 1.00 0.56 N ATOM 0 H ASN A 115 -1.105 4.565 8.707 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.955 6.895 8.961 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.262 5.721 10.350 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.684 4.391 9.367 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.463 3.730 13.132 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.723 4.470 12.139 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.877 7.391 11.352 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.034 7.919 12.386 1.00 0.20 C ATOM 1742 C LYS A 116 -0.137 9.038 11.872 1.00 0.21 C ATOM 1743 O LYS A 116 0.983 9.218 12.347 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.229 6.777 13.012 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.061 5.915 13.942 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.211 4.895 14.677 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.049 3.875 15.443 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.198 2.801 16.037 1.00 0.59 N ATOM 0 H LYS A 116 -2.865 7.625 11.447 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.660 8.369 13.157 1.00 0.20 H new ATOM 0 HB2 LYS A 116 0.186 6.154 12.220 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.613 7.192 13.565 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.573 6.550 14.665 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -1.831 5.400 13.368 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.424 4.373 13.961 1.00 0.40 H new ATOM 0 HD3 LYS A 116 0.450 5.412 15.372 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -1.604 4.379 16.234 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -1.784 3.429 14.772 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -0.758 1.930 16.138 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 0.616 2.619 15.415 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 0.142 3.104 16.972 1.00 0.59 H new ATOM 1762 N MET A 117 -0.647 9.801 10.903 1.00 0.21 N ATOM 1763 CA MET A 117 -0.026 11.066 10.524 1.00 0.28 C ATOM 1764 C MET A 117 -0.447 12.109 11.530 1.00 0.29 C ATOM 1765 O MET A 117 0.060 13.230 11.566 1.00 0.37 O ATOM 1766 CB MET A 117 -0.439 11.481 9.118 1.00 0.38 C ATOM 1767 CG MET A 117 0.310 10.721 8.050 1.00 0.48 C ATOM 1768 SD MET A 117 2.028 11.215 7.956 1.00 0.77 S ATOM 1769 CE MET A 117 2.733 9.618 7.641 1.00 0.92 C ATOM 0 H MET A 117 -1.484 9.564 10.370 1.00 0.21 H new ATOM 0 HA MET A 117 1.059 10.958 10.520 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.509 11.317 8.994 1.00 0.38 H new ATOM 0 HB3 MET A 117 -0.263 12.549 8.991 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.251 9.652 8.256 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.168 10.886 7.085 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.817 9.673 7.742 1.00 0.92 H new ATOM 0 HE2 MET A 117 2.338 8.898 8.358 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.478 9.301 6.630 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.416 11.699 12.330 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.838 12.437 13.505 1.00 0.34 C ATOM 1781 C ASP A 118 -0.758 12.361 14.574 1.00 0.33 C ATOM 1782 O ASP A 118 -0.703 13.189 15.483 1.00 0.47 O ATOM 1783 CB ASP A 118 -3.147 11.852 14.033 1.00 0.39 C ATOM 1784 CG ASP A 118 -3.157 10.335 13.989 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.723 9.697 14.967 1.00 0.76 O ATOM 1786 OD2 ASP A 118 -3.597 9.772 12.956 1.00 0.67 O ATOM 0 H ASP A 118 -1.937 10.835 12.179 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.998 13.482 13.241 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -3.304 12.185 15.059 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.979 12.236 13.443 1.00 0.39 H new ATOM 1791 N LYS A 119 0.107 11.364 14.445 1.00 0.23 N ATOM 1792 CA LYS A 119 1.219 11.195 15.356 1.00 0.26 C ATOM 1793 C LYS A 119 2.501 11.731 14.734 1.00 0.28 C ATOM 1794 O LYS A 119 2.793 11.468 13.570 1.00 0.26 O ATOM 1795 CB LYS A 119 1.399 9.720 15.723 1.00 0.29 C ATOM 1796 CG LYS A 119 0.269 9.150 16.566 1.00 0.36 C ATOM 1797 CD LYS A 119 0.791 8.185 17.619 1.00 0.72 C ATOM 1798 CE LYS A 119 1.554 7.028 16.995 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.252 6.208 18.021 1.00 1.17 N ATOM 0 H LYS A 119 0.055 10.658 13.711 1.00 0.23 H new ATOM 0 HA LYS A 119 1.001 11.758 16.264 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.485 9.136 14.807 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.337 9.603 16.265 1.00 0.29 H new ATOM 0 HG2 LYS A 119 -0.270 9.963 17.052 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.444 8.636 15.921 1.00 0.36 H new ATOM 0 HD2 LYS A 119 1.442 8.719 18.311 1.00 0.72 H new ATOM 0 HD3 LYS A 119 -0.044 7.797 18.203 1.00 0.72 H new ATOM 0 HE2 LYS A 119 0.864 6.398 16.434 1.00 0.87 H new ATOM 0 HE3 LYS A 119 2.282 7.415 16.282 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.378 5.239 17.664 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 3.182 6.625 18.225 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.684 6.185 18.892 1.00 1.17 H new ATOM 1813 N PRO A 120 3.280 12.497 15.510 1.00 0.38 N ATOM 1814 CA PRO A 120 4.586 13.013 15.075 1.00 0.45 C ATOM 1815 C PRO A 120 5.586 11.889 14.820 1.00 0.40 C ATOM 1816 O PRO A 120 6.627 12.090 14.199 1.00 0.45 O ATOM 1817 CB PRO A 120 5.054 13.868 16.254 1.00 0.57 C ATOM 1818 CG PRO A 120 4.244 13.415 17.420 1.00 0.58 C ATOM 1819 CD PRO A 120 2.933 12.950 16.865 1.00 0.48 C ATOM 0 HA PRO A 120 4.510 13.564 14.138 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.119 13.731 16.439 1.00 0.57 H new ATOM 0 HB3 PRO A 120 4.898 14.929 16.056 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.748 12.609 17.954 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.099 14.228 18.132 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.507 12.144 17.462 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.197 13.754 16.844 1.00 0.48 H new ATOM 1827 N GLU A 121 5.245 10.703 15.305 1.00 0.35 N ATOM 1828 CA GLU A 121 6.072 9.514 15.140 1.00 0.37 C ATOM 1829 C GLU A 121 5.840 8.890 13.765 1.00 0.30 C ATOM 1830 O GLU A 121 6.334 7.801 13.469 1.00 0.37 O ATOM 1831 CB GLU A 121 5.739 8.518 16.247 1.00 0.48 C ATOM 1832 CG GLU A 121 5.748 9.155 17.626 1.00 0.62 C ATOM 1833 CD GLU A 121 5.343 8.197 18.725 1.00 1.04 C ATOM 1834 OE1 GLU A 121 4.146 7.865 18.815 1.00 1.45 O ATOM 1835 OE2 GLU A 121 6.219 7.779 19.511 1.00 1.40 O ATOM 0 H GLU A 121 4.384 10.537 15.826 1.00 0.35 H new ATOM 0 HA GLU A 121 7.124 9.790 15.209 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.757 8.084 16.057 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.459 7.700 16.224 1.00 0.48 H new ATOM 0 HG2 GLU A 121 6.747 9.538 17.836 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.071 10.009 17.629 1.00 0.62 H new ATOM 1842 N ALA A 122 5.065 9.593 12.950 1.00 0.24 N ATOM 1843 CA ALA A 122 4.791 9.199 11.573 1.00 0.22 C ATOM 1844 C ALA A 122 6.081 9.070 10.768 1.00 0.21 C ATOM 1845 O ALA A 122 6.791 10.054 10.558 1.00 0.26 O ATOM 1846 CB ALA A 122 3.870 10.223 10.926 1.00 0.27 C ATOM 0 H ALA A 122 4.605 10.460 13.227 1.00 0.24 H new ATOM 0 HA ALA A 122 4.305 8.224 11.583 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.665 9.929 9.897 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.934 10.273 11.482 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.350 11.201 10.935 1.00 0.27 H new ATOM 1852 N ASN A 123 6.379 7.856 10.328 1.00 0.21 N ATOM 1853 CA ASN A 123 7.506 7.622 9.434 1.00 0.23 C ATOM 1854 C ASN A 123 6.978 6.962 8.176 1.00 0.23 C ATOM 1855 O ASN A 123 7.136 5.761 7.970 1.00 0.25 O ATOM 1856 CB ASN A 123 8.556 6.723 10.079 1.00 0.26 C ATOM 1857 CG ASN A 123 9.954 7.091 9.713 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.114 7.685 8.572 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.893 6.852 10.467 1.00 0.52 N flip ATOM 0 H ASN A 123 5.856 7.016 10.575 1.00 0.21 H new ATOM 0 HA ASN A 123 7.984 8.575 9.207 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.448 6.769 11.163 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.371 5.690 9.784 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.726 6.382 11.357 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.840 7.123 10.203 1.00 0.52 H new ATOM 1866 N PRO A 124 6.357 7.757 7.313 1.00 0.25 N ATOM 1867 CA PRO A 124 5.621 7.253 6.156 1.00 0.32 C ATOM 1868 C PRO A 124 6.506 6.588 5.134 1.00 0.33 C ATOM 1869 O PRO A 124 6.345 5.408 4.834 1.00 0.35 O ATOM 1870 CB PRO A 124 5.002 8.506 5.573 1.00 0.40 C ATOM 1871 CG PRO A 124 5.870 9.624 6.027 1.00 0.32 C ATOM 1872 CD PRO A 124 6.326 9.227 7.395 1.00 0.27 C ATOM 0 HA PRO A 124 4.903 6.484 6.441 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.964 8.455 4.485 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.978 8.637 5.922 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.716 9.766 5.354 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.321 10.565 6.051 1.00 0.32 H new ATOM 0 HD2 PRO A 124 7.307 9.640 7.630 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.640 9.575 8.167 1.00 0.27 H new ATOM 1880 N ASP A 125 7.438 7.356 4.612 1.00 0.37 N ATOM 1881 CA ASP A 125 8.384 6.866 3.627 1.00 0.44 C ATOM 1882 C ASP A 125 9.136 5.653 4.153 1.00 0.34 C ATOM 1883 O ASP A 125 9.635 4.846 3.379 1.00 0.33 O ATOM 1884 CB ASP A 125 9.358 7.973 3.240 1.00 0.61 C ATOM 1885 CG ASP A 125 8.683 9.076 2.442 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.790 9.757 2.990 1.00 1.44 O ATOM 1887 OD2 ASP A 125 9.042 9.270 1.259 1.00 1.13 O ATOM 0 H ASP A 125 7.563 8.338 4.857 1.00 0.37 H new ATOM 0 HA ASP A 125 7.830 6.559 2.740 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.800 8.397 4.141 1.00 0.61 H new ATOM 0 HB3 ASP A 125 10.173 7.549 2.654 1.00 0.61 H new ATOM 1892 N ARG A 126 9.172 5.500 5.474 1.00 0.31 N ATOM 1893 CA ARG A 126 9.831 4.343 6.065 1.00 0.31 C ATOM 1894 C ARG A 126 8.930 3.131 5.953 1.00 0.27 C ATOM 1895 O ARG A 126 9.302 2.103 5.384 1.00 0.30 O ATOM 1896 CB ARG A 126 10.159 4.574 7.537 1.00 0.35 C ATOM 1897 CG ARG A 126 10.699 3.331 8.225 1.00 0.51 C ATOM 1898 CD ARG A 126 10.992 3.561 9.698 1.00 1.24 C ATOM 1899 NE ARG A 126 11.177 2.299 10.411 1.00 1.92 N ATOM 1900 CZ ARG A 126 12.273 1.969 11.096 1.00 2.94 C ATOM 1901 NH1 ARG A 126 13.306 2.802 11.160 1.00 3.49 N ATOM 1902 NH2 ARG A 126 12.332 0.795 11.708 1.00 3.79 N ATOM 0 H ARG A 126 8.760 6.150 6.144 1.00 0.31 H new ATOM 0 HA ARG A 126 10.762 4.180 5.522 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.893 5.376 7.619 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.261 4.909 8.056 1.00 0.35 H new ATOM 0 HG2 ARG A 126 9.977 2.521 8.124 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.611 3.009 7.723 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.888 4.173 9.800 1.00 1.24 H new ATOM 0 HD3 ARG A 126 10.172 4.119 10.150 1.00 1.24 H new ATOM 0 HE ARG A 126 10.414 1.623 10.383 1.00 1.92 H new ATOM 0 HH11 ARG A 126 13.265 3.703 10.683 1.00 3.49 H new ATOM 0 HH12 ARG A 126 14.140 2.541 11.686 1.00 3.49 H new ATOM 0 HH21 ARG A 126 11.543 0.151 11.653 1.00 3.79 H new ATOM 0 HH22 ARG A 126 13.167 0.535 12.234 1.00 3.79 H new ATOM 1916 N VAL A 127 7.739 3.273 6.500 1.00 0.25 N ATOM 1917 CA VAL A 127 6.786 2.176 6.544 1.00 0.28 C ATOM 1918 C VAL A 127 6.301 1.792 5.144 1.00 0.28 C ATOM 1919 O VAL A 127 5.920 0.649 4.905 1.00 0.33 O ATOM 1920 CB VAL A 127 5.603 2.492 7.485 1.00 0.36 C ATOM 1921 CG1 VAL A 127 6.136 2.797 8.870 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.738 3.645 6.984 1.00 0.44 C ATOM 0 H VAL A 127 7.405 4.139 6.922 1.00 0.25 H new ATOM 0 HA VAL A 127 7.308 1.311 6.954 1.00 0.28 H new ATOM 0 HB VAL A 127 4.959 1.613 7.512 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.305 3.021 9.539 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.683 1.933 9.248 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.804 3.657 8.821 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.923 3.820 7.686 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.346 4.546 6.901 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.326 3.393 6.007 1.00 0.44 H new ATOM 1932 N MET A 128 6.359 2.732 4.210 1.00 0.27 N ATOM 1933 CA MET A 128 5.985 2.441 2.828 1.00 0.31 C ATOM 1934 C MET A 128 7.193 1.912 2.043 1.00 0.26 C ATOM 1935 O MET A 128 7.041 1.371 0.950 1.00 0.35 O ATOM 1936 CB MET A 128 5.375 3.677 2.145 1.00 0.52 C ATOM 1937 CG MET A 128 6.373 4.774 1.811 1.00 0.81 C ATOM 1938 SD MET A 128 5.587 6.373 1.477 1.00 0.67 S ATOM 1939 CE MET A 128 4.605 6.027 0.016 1.00 0.46 C ATOM 0 H MET A 128 6.658 3.693 4.379 1.00 0.27 H new ATOM 0 HA MET A 128 5.221 1.664 2.839 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.881 3.361 1.226 1.00 0.52 H new ATOM 0 HB3 MET A 128 4.604 4.091 2.795 1.00 0.52 H new ATOM 0 HG2 MET A 128 7.072 4.886 2.640 1.00 0.81 H new ATOM 0 HG3 MET A 128 6.956 4.474 0.940 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.731 6.679 0.002 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.205 6.205 -0.876 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.281 4.986 0.033 1.00 0.46 H new ATOM 1949 N GLN A 129 8.392 2.067 2.604 1.00 0.24 N ATOM 1950 CA GLN A 129 9.586 1.461 2.021 1.00 0.27 C ATOM 1951 C GLN A 129 9.619 -0.027 2.310 1.00 0.30 C ATOM 1952 O GLN A 129 9.839 -0.835 1.412 1.00 0.33 O ATOM 1953 CB GLN A 129 10.853 2.121 2.553 1.00 0.32 C ATOM 1954 CG GLN A 129 11.638 2.852 1.484 1.00 0.42 C ATOM 1955 CD GLN A 129 12.912 3.476 2.011 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.925 4.629 2.441 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.989 2.708 2.002 1.00 1.31 N ATOM 0 H GLN A 129 8.561 2.603 3.455 1.00 0.24 H new ATOM 0 HA GLN A 129 9.545 1.614 0.943 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.585 2.823 3.342 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.489 1.360 3.005 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.885 2.156 0.682 1.00 0.42 H new ATOM 0 HG3 GLN A 129 11.011 3.630 1.049 1.00 0.42 H new ATOM 0 HE21 GLN A 129 13.934 1.757 1.636 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.874 3.066 2.361 1.00 1.31 H new ATOM 1966 N GLU A 130 9.387 -0.396 3.563 1.00 0.37 N ATOM 1967 CA GLU A 130 9.289 -1.806 3.921 1.00 0.43 C ATOM 1968 C GLU A 130 8.028 -2.404 3.303 1.00 0.36 C ATOM 1969 O GLU A 130 7.904 -3.619 3.145 1.00 0.35 O ATOM 1970 CB GLU A 130 9.312 -1.999 5.441 1.00 0.61 C ATOM 1971 CG GLU A 130 8.324 -1.135 6.200 1.00 0.63 C ATOM 1972 CD GLU A 130 8.436 -1.320 7.698 1.00 1.04 C ATOM 1973 OE1 GLU A 130 9.454 -0.882 8.282 1.00 1.64 O ATOM 1974 OE2 GLU A 130 7.524 -1.928 8.297 1.00 1.63 O ATOM 0 H GLU A 130 9.264 0.252 4.341 1.00 0.37 H new ATOM 0 HA GLU A 130 10.157 -2.330 3.522 1.00 0.43 H new ATOM 0 HB2 GLU A 130 9.106 -3.046 5.665 1.00 0.61 H new ATOM 0 HB3 GLU A 130 10.317 -1.786 5.806 1.00 0.61 H new ATOM 0 HG2 GLU A 130 8.494 -0.087 5.951 1.00 0.63 H new ATOM 0 HG3 GLU A 130 7.311 -1.378 5.880 1.00 0.63 H new ATOM 1981 N LEU A 131 7.114 -1.520 2.923 1.00 0.36 N ATOM 1982 CA LEU A 131 5.939 -1.897 2.171 1.00 0.37 C ATOM 1983 C LEU A 131 6.367 -2.397 0.802 1.00 0.29 C ATOM 1984 O LEU A 131 5.897 -3.427 0.326 1.00 0.32 O ATOM 1985 CB LEU A 131 5.015 -0.684 2.030 1.00 0.49 C ATOM 1986 CG LEU A 131 3.571 -0.867 2.502 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.444 -2.075 3.389 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.109 0.363 3.261 1.00 1.18 C ATOM 0 H LEU A 131 7.173 -0.523 3.131 1.00 0.36 H new ATOM 0 HA LEU A 131 5.400 -2.690 2.689 1.00 0.37 H new ATOM 0 HB2 LEU A 131 5.453 0.145 2.586 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.996 -0.390 0.981 1.00 0.49 H new ATOM 0 HG LEU A 131 2.946 -1.010 1.621 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.408 -2.183 3.711 1.00 1.36 H new ATOM 0 HD12 LEU A 131 3.747 -2.965 2.837 1.00 1.36 H new ATOM 0 HD13 LEU A 131 4.085 -1.954 4.262 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.080 0.221 3.592 1.00 1.18 H new ATOM 0 HD22 LEU A 131 3.751 0.518 4.128 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.164 1.235 2.609 1.00 1.18 H new ATOM 2000 N MET A 132 7.310 -1.682 0.188 1.00 0.25 N ATOM 2001 CA MET A 132 7.789 -2.052 -1.134 1.00 0.26 C ATOM 2002 C MET A 132 8.809 -3.176 -1.037 1.00 0.30 C ATOM 2003 O MET A 132 9.218 -3.747 -2.049 1.00 0.37 O ATOM 2004 CB MET A 132 8.367 -0.845 -1.882 1.00 0.32 C ATOM 2005 CG MET A 132 9.794 -0.471 -1.513 1.00 0.88 C ATOM 2006 SD MET A 132 11.013 -1.187 -2.634 1.00 1.60 S ATOM 2007 CE MET A 132 10.445 -0.519 -4.200 1.00 1.61 C ATOM 0 H MET A 132 7.751 -0.852 0.584 1.00 0.25 H new ATOM 0 HA MET A 132 6.936 -2.411 -1.710 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.328 -1.049 -2.952 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.725 0.016 -1.699 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.894 0.614 -1.519 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.001 -0.804 -0.496 1.00 0.88 H new ATOM 0 HE1 MET A 132 10.009 -1.318 -4.799 1.00 1.61 H new ATOM 0 HE2 MET A 132 9.694 0.249 -4.017 1.00 1.61 H new ATOM 0 HE3 MET A 132 11.287 -0.082 -4.736 1.00 1.61 H new ATOM 2017 N GLU A 133 9.198 -3.511 0.186 1.00 0.32 N ATOM 2018 CA GLU A 133 10.058 -4.655 0.419 1.00 0.40 C ATOM 2019 C GLU A 133 9.221 -5.915 0.353 1.00 0.38 C ATOM 2020 O GLU A 133 9.713 -7.006 0.072 1.00 0.45 O ATOM 2021 CB GLU A 133 10.760 -4.536 1.762 1.00 0.54 C ATOM 2022 CG GLU A 133 11.763 -3.400 1.807 1.00 0.79 C ATOM 2023 CD GLU A 133 12.613 -3.429 3.055 1.00 1.07 C ATOM 2024 OE1 GLU A 133 13.180 -4.497 3.368 1.00 1.53 O ATOM 2025 OE2 GLU A 133 12.701 -2.391 3.741 1.00 1.67 O ATOM 0 H GLU A 133 8.930 -3.004 1.030 1.00 0.32 H new ATOM 0 HA GLU A 133 10.831 -4.695 -0.349 1.00 0.40 H new ATOM 0 HB2 GLU A 133 10.015 -4.387 2.543 1.00 0.54 H new ATOM 0 HB3 GLU A 133 11.271 -5.473 1.983 1.00 0.54 H new ATOM 0 HG2 GLU A 133 12.408 -3.454 0.930 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.233 -2.449 1.754 1.00 0.79 H new ATOM 2032 N TYR A 134 7.933 -5.737 0.610 1.00 0.35 N ATOM 2033 CA TYR A 134 6.944 -6.768 0.373 1.00 0.40 C ATOM 2034 C TYR A 134 6.385 -6.588 -1.039 1.00 0.41 C ATOM 2035 O TYR A 134 5.312 -7.087 -1.384 1.00 0.50 O ATOM 2036 CB TYR A 134 5.844 -6.690 1.428 1.00 0.46 C ATOM 2037 CG TYR A 134 6.291 -7.108 2.820 1.00 0.55 C ATOM 2038 CD1 TYR A 134 7.546 -6.768 3.305 1.00 0.88 C ATOM 2039 CD2 TYR A 134 5.452 -7.836 3.649 1.00 0.98 C ATOM 2040 CE1 TYR A 134 7.946 -7.141 4.573 1.00 0.95 C ATOM 2041 CE2 TYR A 134 5.843 -8.214 4.918 1.00 1.08 C ATOM 2042 CZ TYR A 134 7.129 -7.889 5.355 1.00 0.80 C ATOM 2043 OH TYR A 134 7.493 -8.225 6.642 1.00 0.95 O ATOM 0 H TYR A 134 7.548 -4.872 0.989 1.00 0.35 H new ATOM 0 HA TYR A 134 7.397 -7.757 0.450 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.467 -5.668 1.470 1.00 0.46 H new ATOM 0 HB3 TYR A 134 5.013 -7.324 1.119 1.00 0.46 H new ATOM 0 HD1 TYR A 134 8.221 -6.202 2.680 1.00 0.88 H new ATOM 0 HD2 TYR A 134 4.470 -8.114 3.294 1.00 0.98 H new ATOM 0 HE1 TYR A 134 8.913 -6.836 4.943 1.00 0.95 H new ATOM 0 HE2 TYR A 134 5.165 -8.753 5.563 1.00 1.08 H new ATOM 0 HH TYR A 134 6.784 -8.763 7.053 1.00 0.95 H new ATOM 2053 N ASN A 135 7.162 -5.848 -1.834 1.00 0.36 N ATOM 2054 CA ASN A 135 6.856 -5.522 -3.223 1.00 0.43 C ATOM 2055 C ASN A 135 5.505 -4.823 -3.348 1.00 0.48 C ATOM 2056 O ASN A 135 4.590 -5.287 -4.024 1.00 0.64 O ATOM 2057 CB ASN A 135 6.944 -6.779 -4.096 1.00 0.58 C ATOM 2058 CG ASN A 135 6.867 -6.502 -5.572 1.00 0.71 C ATOM 2059 OD1 ASN A 135 5.789 -6.479 -6.165 1.00 0.89 O ATOM 2060 ND2 ASN A 135 8.004 -6.326 -6.185 1.00 1.10 N ATOM 0 H ASN A 135 8.046 -5.449 -1.517 1.00 0.36 H new ATOM 0 HA ASN A 135 7.602 -4.815 -3.586 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.880 -7.294 -3.881 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.137 -7.458 -3.821 1.00 0.58 H new ATOM 0 HD21 ASN A 135 8.021 -6.162 -7.192 1.00 1.10 H new ATOM 0 HD22 ASN A 135 8.877 -6.352 -5.658 1.00 1.10 H new ATOM 2067 N LEU A 136 5.385 -3.719 -2.637 1.00 0.44 N ATOM 2068 CA LEU A 136 4.270 -2.815 -2.785 1.00 0.54 C ATOM 2069 C LEU A 136 4.783 -1.441 -3.124 1.00 0.41 C ATOM 2070 O LEU A 136 5.309 -0.739 -2.263 1.00 0.47 O ATOM 2071 CB LEU A 136 3.488 -2.754 -1.501 1.00 0.78 C ATOM 2072 CG LEU A 136 2.772 -4.036 -1.128 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.329 -3.961 0.317 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.587 -4.256 -2.052 1.00 1.17 C ATOM 0 H LEU A 136 6.065 -3.425 -1.936 1.00 0.44 H new ATOM 0 HA LEU A 136 3.621 -3.172 -3.584 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.167 -2.486 -0.692 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.752 -1.954 -1.578 1.00 0.78 H new ATOM 0 HG LEU A 136 3.449 -4.883 -1.241 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.813 -4.882 0.588 1.00 1.36 H new ATOM 0 HD12 LEU A 136 3.201 -3.831 0.958 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.653 -3.116 0.447 1.00 1.36 H new ATOM 0 HD21 LEU A 136 1.078 -5.180 -1.777 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.895 -3.419 -1.961 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.937 -4.327 -3.082 1.00 1.17 H new ATOM 2086 N VAL A 137 4.633 -1.043 -4.363 1.00 0.31 N ATOM 2087 CA VAL A 137 5.252 0.182 -4.804 1.00 0.27 C ATOM 2088 C VAL A 137 4.221 1.266 -5.021 1.00 0.29 C ATOM 2089 O VAL A 137 3.351 1.161 -5.890 1.00 0.33 O ATOM 2090 CB VAL A 137 6.082 -0.003 -6.075 1.00 0.29 C ATOM 2091 CG1 VAL A 137 6.725 1.323 -6.462 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.132 -1.079 -5.862 1.00 0.41 C ATOM 0 H VAL A 137 4.097 -1.540 -5.074 1.00 0.31 H new ATOM 0 HA VAL A 137 5.930 0.485 -4.006 1.00 0.27 H new ATOM 0 HB VAL A 137 5.434 -0.324 -6.890 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.316 1.190 -7.368 1.00 0.43 H new ATOM 0 HG12 VAL A 137 5.948 2.066 -6.642 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.372 1.663 -5.653 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.717 -1.202 -6.773 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.791 -0.787 -5.044 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.643 -2.021 -5.615 1.00 0.41 H new ATOM 2102 N PRO A 138 4.301 2.304 -4.194 1.00 0.34 N ATOM 2103 CA PRO A 138 3.427 3.451 -4.265 1.00 0.43 C ATOM 2104 C PRO A 138 3.410 4.095 -5.630 1.00 0.43 C ATOM 2105 O PRO A 138 4.331 3.943 -6.437 1.00 0.45 O ATOM 2106 CB PRO A 138 3.996 4.441 -3.252 1.00 0.53 C ATOM 2107 CG PRO A 138 5.243 3.842 -2.718 1.00 0.54 C ATOM 2108 CD PRO A 138 5.223 2.390 -3.072 1.00 0.39 C ATOM 0 HA PRO A 138 2.399 3.152 -4.061 1.00 0.43 H new ATOM 0 HB2 PRO A 138 4.201 5.402 -3.724 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.282 4.626 -2.450 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.118 4.330 -3.146 1.00 0.54 H new ATOM 0 HG3 PRO A 138 5.301 3.974 -1.638 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.216 2.034 -3.346 1.00 0.39 H new ATOM 0 HD3 PRO A 138 4.886 1.781 -2.233 1.00 0.39 H new ATOM 2116 N GLU A 139 2.369 4.854 -5.847 1.00 0.48 N ATOM 2117 CA GLU A 139 2.178 5.550 -7.108 1.00 0.56 C ATOM 2118 C GLU A 139 3.060 6.783 -7.150 1.00 0.56 C ATOM 2119 O GLU A 139 3.304 7.356 -8.211 1.00 0.64 O ATOM 2120 CB GLU A 139 0.714 5.920 -7.317 1.00 0.71 C ATOM 2121 CG GLU A 139 -0.129 4.775 -7.838 1.00 1.35 C ATOM 2122 CD GLU A 139 0.317 4.330 -9.208 1.00 2.40 C ATOM 2123 OE1 GLU A 139 -0.084 4.967 -10.204 1.00 2.78 O ATOM 2124 OE2 GLU A 139 1.080 3.353 -9.294 1.00 3.08 O ATOM 0 H GLU A 139 1.629 5.012 -5.164 1.00 0.48 H new ATOM 0 HA GLU A 139 2.464 4.883 -7.921 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.297 6.268 -6.372 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.654 6.753 -8.017 1.00 0.71 H new ATOM 0 HG2 GLU A 139 -0.069 3.935 -7.146 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -1.174 5.082 -7.878 1.00 1.35 H new ATOM 2131 N GLU A 140 3.523 7.183 -5.976 1.00 0.54 N ATOM 2132 CA GLU A 140 4.548 8.204 -5.863 1.00 0.60 C ATOM 2133 C GLU A 140 5.882 7.672 -6.376 1.00 0.56 C ATOM 2134 O GLU A 140 6.740 8.441 -6.801 1.00 0.65 O ATOM 2135 CB GLU A 140 4.701 8.684 -4.406 1.00 0.67 C ATOM 2136 CG GLU A 140 4.207 7.710 -3.353 1.00 0.63 C ATOM 2137 CD GLU A 140 2.705 7.771 -3.168 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.222 8.725 -2.519 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.010 6.860 -3.661 1.00 1.57 O ATOM 0 H GLU A 140 3.201 6.811 -5.082 1.00 0.54 H new ATOM 0 HA GLU A 140 4.241 9.054 -6.472 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.754 8.895 -4.218 1.00 0.67 H new ATOM 0 HB3 GLU A 140 4.162 9.624 -4.291 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.495 6.697 -3.636 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.696 7.927 -2.403 1.00 0.63 H new ATOM 2146 N TRP A 141 6.044 6.349 -6.346 1.00 0.47 N ATOM 2147 CA TRP A 141 7.283 5.727 -6.761 1.00 0.49 C ATOM 2148 C TRP A 141 7.109 5.058 -8.119 1.00 0.51 C ATOM 2149 O TRP A 141 8.077 4.609 -8.731 1.00 0.66 O ATOM 2150 CB TRP A 141 7.732 4.714 -5.728 1.00 0.45 C ATOM 2151 CG TRP A 141 7.946 5.277 -4.347 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.761 6.566 -3.930 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.383 4.551 -3.199 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.040 6.675 -2.592 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.430 5.454 -2.120 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.732 3.221 -2.980 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.813 5.062 -0.843 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.112 2.833 -1.716 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.148 3.751 -0.656 1.00 0.52 C ATOM 0 H TRP A 141 5.326 5.694 -6.037 1.00 0.47 H new ATOM 0 HA TRP A 141 8.049 6.497 -6.849 1.00 0.49 H new ATOM 0 HB2 TRP A 141 6.988 3.919 -5.671 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.661 4.257 -6.067 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.441 7.381 -4.563 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.968 7.529 -2.039 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.705 2.506 -3.789 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.845 5.769 -0.027 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.387 1.804 -1.537 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.446 3.415 0.326 1.00 0.52 H new ATOM 2170 N GLY A 142 5.864 4.974 -8.568 1.00 0.45 N ATOM 2171 CA GLY A 142 5.580 4.461 -9.894 1.00 0.50 C ATOM 2172 C GLY A 142 5.405 2.954 -9.934 1.00 0.45 C ATOM 2173 O GLY A 142 5.788 2.312 -10.911 1.00 0.53 O ATOM 0 H GLY A 142 5.041 5.254 -8.034 1.00 0.45 H new ATOM 0 HA2 GLY A 142 4.674 4.934 -10.272 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.391 4.743 -10.566 1.00 0.50 H new ATOM 2177 N GLY A 143 4.851 2.380 -8.872 1.00 0.39 N ATOM 2178 CA GLY A 143 4.555 0.954 -8.884 1.00 0.41 C ATOM 2179 C GLY A 143 3.155 0.686 -9.379 1.00 0.45 C ATOM 2180 O GLY A 143 2.875 0.846 -10.569 1.00 0.60 O ATOM 0 H GLY A 143 4.603 2.867 -8.011 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.273 0.437 -9.521 1.00 0.41 H new ATOM 0 HA3 GLY A 143 4.671 0.548 -7.879 1.00 0.41 H new ATOM 2184 N ASP A 144 2.279 0.277 -8.473 1.00 0.40 N ATOM 2185 CA ASP A 144 0.855 0.192 -8.783 1.00 0.45 C ATOM 2186 C ASP A 144 0.035 0.090 -7.500 1.00 0.33 C ATOM 2187 O ASP A 144 -0.733 -0.861 -7.247 1.00 0.35 O ATOM 2188 CB ASP A 144 0.548 -0.975 -9.740 1.00 0.64 C ATOM 2189 CG ASP A 144 0.708 -2.354 -9.112 1.00 1.33 C ATOM 2190 OD1 ASP A 144 1.797 -2.650 -8.574 1.00 1.91 O ATOM 2191 OD2 ASP A 144 -0.258 -3.150 -9.174 1.00 1.91 O ATOM 0 H ASP A 144 2.524 -0.000 -7.523 1.00 0.40 H new ATOM 0 HA ASP A 144 0.569 1.109 -9.299 1.00 0.45 H new ATOM 0 HB2 ASP A 144 -0.473 -0.871 -10.107 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.206 -0.903 -10.606 1.00 0.64 H new ATOM 2196 N THR A 145 0.163 1.125 -6.709 1.00 0.26 N ATOM 2197 CA THR A 145 -0.557 1.236 -5.471 1.00 0.24 C ATOM 2198 C THR A 145 -0.552 2.676 -4.988 1.00 0.27 C ATOM 2199 O THR A 145 0.502 3.224 -4.679 1.00 0.37 O ATOM 2200 CB THR A 145 0.068 0.346 -4.381 1.00 0.25 C ATOM 2201 OG1 THR A 145 -0.034 -1.038 -4.738 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.613 0.586 -3.051 1.00 0.30 C ATOM 0 H THR A 145 0.773 1.917 -6.909 1.00 0.26 H new ATOM 0 HA THR A 145 -1.580 0.907 -5.655 1.00 0.24 H new ATOM 0 HB THR A 145 1.123 0.607 -4.292 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.626 -1.133 -5.513 1.00 0.30 H new ATOM 0 HG21 THR A 145 -0.160 -0.050 -2.290 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.496 1.632 -2.766 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.674 0.350 -3.137 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.716 3.298 -4.939 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.818 4.610 -4.351 1.00 0.28 C ATOM 2212 C ILE A 146 -1.573 4.503 -2.855 1.00 0.23 C ATOM 2213 O ILE A 146 -2.397 3.967 -2.112 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.193 5.258 -4.620 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.299 5.747 -6.065 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.438 6.398 -3.657 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.433 6.955 -6.357 1.00 0.63 C ATOM 0 H ILE A 146 -2.592 2.917 -5.296 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.065 5.251 -4.810 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.959 4.498 -4.464 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.017 4.936 -6.737 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.338 5.993 -6.282 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.412 6.844 -3.861 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.418 6.021 -2.634 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.661 7.152 -3.781 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.557 7.248 -7.399 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.730 7.780 -5.710 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.388 6.707 -6.172 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.412 4.951 -2.434 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.073 4.991 -1.029 1.00 0.30 C ATOM 2231 C PHE A 147 -0.536 6.299 -0.419 1.00 0.32 C ATOM 2232 O PHE A 147 0.037 7.355 -0.676 1.00 0.50 O ATOM 2233 CB PHE A 147 1.426 4.860 -0.832 1.00 0.41 C ATOM 2234 CG PHE A 147 1.932 3.450 -0.764 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.759 2.587 -1.826 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.550 2.980 0.372 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.202 1.282 -1.757 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.993 1.678 0.452 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.916 0.857 -0.663 1.00 0.33 C ATOM 0 H PHE A 147 0.322 5.297 -3.053 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.573 4.155 -0.539 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.932 5.373 -1.650 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.704 5.375 0.088 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.270 2.937 -2.723 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.690 3.642 1.214 1.00 0.37 H new ATOM 0 HE1 PHE A 147 1.988 0.595 -2.562 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.398 1.299 1.378 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.410 -0.103 -0.671 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.569 6.231 0.379 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.123 7.416 0.997 1.00 0.27 C ATOM 2251 C CYS A 148 -1.590 7.579 2.406 1.00 0.31 C ATOM 2252 O CYS A 148 -1.893 6.788 3.286 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.641 7.342 1.030 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.423 7.350 -0.601 1.00 0.68 S ATOM 0 H CYS A 148 -2.049 5.364 0.620 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.824 8.279 0.402 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.937 6.435 1.558 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -4.022 8.185 1.607 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.045 8.478 -0.778 1.00 0.68 H new ATOM 2260 N LYS A 149 -0.791 8.602 2.612 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.278 8.902 3.938 1.00 0.28 C ATOM 2262 C LYS A 149 -1.314 9.718 4.687 1.00 0.28 C ATOM 2263 O LYS A 149 -1.397 10.936 4.524 1.00 0.40 O ATOM 2264 CB LYS A 149 1.037 9.680 3.845 1.00 0.36 C ATOM 2265 CG LYS A 149 2.059 9.048 2.917 1.00 0.56 C ATOM 2266 CD LYS A 149 3.314 9.895 2.827 1.00 0.89 C ATOM 2267 CE LYS A 149 4.234 9.413 1.724 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.481 10.219 1.653 1.00 1.44 N ATOM 0 H LYS A 149 -0.480 9.242 1.881 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.082 7.971 4.470 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.826 10.693 3.502 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.469 9.765 4.842 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.314 8.051 3.277 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.627 8.927 1.924 1.00 0.56 H new ATOM 0 HD2 LYS A 149 3.040 10.934 2.645 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.842 9.867 3.780 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.487 8.366 1.893 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.713 9.464 0.768 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.770 10.324 0.660 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.311 11.158 2.066 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 6.235 9.739 2.184 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.118 9.048 5.491 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.227 9.696 6.149 1.00 0.22 C ATOM 2284 C LEU A 150 -3.147 9.564 7.662 1.00 0.19 C ATOM 2285 O LEU A 150 -2.181 9.063 8.233 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.552 9.118 5.632 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.820 7.644 5.913 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.603 7.451 7.201 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.558 7.016 4.746 1.00 0.84 C ATOM 0 H LEU A 150 -2.020 8.055 5.702 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.178 10.759 5.913 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.367 9.699 6.064 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.590 9.270 4.553 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.858 7.148 6.037 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.774 6.387 7.367 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.036 7.862 8.036 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.561 7.965 7.125 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.744 5.963 4.957 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.508 7.530 4.597 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.953 7.103 3.844 1.00 0.84 H new ATOM 2301 N SER A 151 -4.198 10.017 8.278 1.00 0.26 N ATOM 2302 CA SER A 151 -4.337 10.077 9.705 1.00 0.29 C ATOM 2303 C SER A 151 -5.811 10.026 10.023 1.00 0.25 C ATOM 2304 O SER A 151 -6.494 11.050 9.991 1.00 0.29 O ATOM 2305 CB SER A 151 -3.754 11.381 10.194 1.00 0.46 C ATOM 2306 OG SER A 151 -3.886 12.389 9.198 1.00 1.77 O ATOM 0 H SER A 151 -5.016 10.369 7.781 1.00 0.26 H new ATOM 0 HA SER A 151 -3.818 9.249 10.188 1.00 0.29 H new ATOM 0 HB2 SER A 151 -4.262 11.694 11.106 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.702 11.245 10.445 1.00 0.46 H new ATOM 0 HG SER A 151 -4.008 13.261 9.629 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.323 8.843 10.272 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.738 8.691 10.525 1.00 0.31 C ATOM 2314 C ALA A 152 -8.098 9.268 11.878 1.00 0.33 C ATOM 2315 O ALA A 152 -9.270 9.429 12.204 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.146 7.244 10.419 1.00 0.41 C ATOM 0 H ALA A 152 -5.786 7.977 10.305 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.289 9.246 9.766 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.215 7.152 10.613 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -7.926 6.877 9.417 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.593 6.655 11.151 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.084 9.582 12.666 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.317 10.292 13.916 1.00 0.34 C ATOM 2324 C LYS A 153 -7.545 11.781 13.680 1.00 0.36 C ATOM 2325 O LYS A 153 -8.511 12.343 14.199 1.00 0.49 O ATOM 2326 CB LYS A 153 -6.197 10.069 14.915 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.455 8.910 15.861 1.00 0.60 C ATOM 2328 CD LYS A 153 -5.371 8.799 16.919 1.00 1.12 C ATOM 2329 CE LYS A 153 -5.658 7.666 17.892 1.00 1.65 C ATOM 2330 NZ LYS A 153 -6.815 7.963 18.781 1.00 2.30 N ATOM 0 H LYS A 153 -6.107 9.362 12.470 1.00 0.30 H new ATOM 0 HA LYS A 153 -8.227 9.876 14.347 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.268 9.887 14.374 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -6.053 10.979 15.498 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -7.423 9.043 16.344 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -6.506 7.981 15.293 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -4.407 8.632 16.438 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -5.296 9.739 17.465 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -5.858 6.752 17.333 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -4.773 7.480 18.501 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -6.899 7.218 19.502 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -6.668 8.881 19.247 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -7.687 7.997 18.216 1.00 2.30 H new ATOM 2344 N THR A 154 -6.693 12.438 12.890 1.00 0.30 N ATOM 2345 CA THR A 154 -6.904 13.858 12.622 1.00 0.39 C ATOM 2346 C THR A 154 -7.881 14.071 11.468 1.00 0.36 C ATOM 2347 O THR A 154 -8.283 15.198 11.174 1.00 0.41 O ATOM 2348 CB THR A 154 -5.583 14.598 12.350 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.715 13.777 11.570 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.897 14.978 13.654 1.00 0.70 C ATOM 0 H THR A 154 -5.877 12.025 12.439 1.00 0.30 H new ATOM 0 HA THR A 154 -7.342 14.282 13.525 1.00 0.39 H new ATOM 0 HB THR A 154 -5.810 15.511 11.799 1.00 0.47 H new ATOM 0 HG1 THR A 154 -4.040 14.337 11.133 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.965 15.500 13.436 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.551 15.630 14.233 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.682 14.077 14.228 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.249 12.966 10.819 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.306 12.956 9.800 1.00 0.32 C ATOM 2360 C LYS A 155 -8.902 13.740 8.574 1.00 0.34 C ATOM 2361 O LYS A 155 -9.701 14.468 7.990 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.623 13.503 10.351 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.314 12.553 11.299 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.398 11.164 10.700 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.262 10.243 11.552 1.00 0.61 C ATOM 2366 NZ LYS A 155 -11.751 10.144 12.947 1.00 1.36 N ATOM 0 H LYS A 155 -7.825 12.053 10.982 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.454 11.915 9.514 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.430 14.444 10.867 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.292 13.726 9.520 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.771 12.515 12.243 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.316 12.919 11.522 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.811 11.225 9.693 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.396 10.744 10.609 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.287 10.614 11.565 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.289 9.250 11.103 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -12.074 9.251 13.372 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -10.711 10.168 12.938 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -12.111 10.944 13.506 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.670 13.553 8.171 1.00 0.30 N ATOM 2381 CA GLU A 156 -7.128 14.305 7.046 1.00 0.33 C ATOM 2382 C GLU A 156 -7.107 13.437 5.809 1.00 0.28 C ATOM 2383 O GLU A 156 -7.853 13.642 4.844 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.700 14.760 7.348 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.535 15.374 8.721 1.00 1.30 C ATOM 2386 CD GLU A 156 -4.104 15.769 9.013 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.688 16.866 8.587 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -3.390 14.982 9.669 1.00 2.48 O ATOM 0 H GLU A 156 -7.020 12.892 8.596 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.761 15.176 6.880 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.029 13.905 7.259 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.393 15.486 6.596 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -6.174 16.253 8.801 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.873 14.664 9.476 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.261 12.437 5.873 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.032 11.586 4.742 1.00 0.28 C ATOM 2397 C GLY A 157 -7.205 10.689 4.406 1.00 0.27 C ATOM 2398 O GLY A 157 -7.182 10.022 3.383 1.00 0.29 O ATOM 0 H GLY A 157 -5.720 12.196 6.703 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.799 12.204 3.875 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.157 10.966 4.936 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.228 10.650 5.261 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.399 9.843 4.971 1.00 0.28 C ATOM 2404 C LEU A 158 -10.159 10.450 3.808 1.00 0.30 C ATOM 2405 O LEU A 158 -10.668 9.739 2.940 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.307 9.730 6.190 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.799 8.796 7.289 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.839 8.662 8.390 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.445 7.431 6.715 1.00 0.80 C ATOM 0 H LEU A 158 -8.264 11.160 6.143 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.069 8.839 4.706 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.446 10.724 6.614 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.287 9.383 5.863 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.895 9.227 7.718 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.464 7.994 9.166 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.040 9.642 8.822 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.759 8.253 7.973 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.086 6.782 7.514 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.330 6.988 6.258 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.666 7.544 5.962 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.203 11.771 3.780 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.831 12.465 2.678 1.00 0.38 C ATOM 2423 C ASP A 159 -9.952 12.361 1.443 1.00 0.32 C ATOM 2424 O ASP A 159 -10.439 12.151 0.337 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.097 13.930 3.021 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.865 14.644 1.923 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -13.105 14.511 1.877 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -11.231 15.335 1.099 1.00 2.20 O ATOM 0 H ASP A 159 -9.814 12.377 4.503 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.794 11.994 2.478 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -11.660 13.987 3.953 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -10.149 14.440 3.190 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.639 12.465 1.644 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.695 12.344 0.541 1.00 0.30 C ATOM 2435 C HIS A 160 -7.653 10.908 0.014 1.00 0.28 C ATOM 2436 O HIS A 160 -7.235 10.662 -1.117 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.298 12.791 0.977 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.285 12.732 -0.123 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.305 13.572 -1.214 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.228 11.908 -0.300 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.303 13.268 -2.018 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.632 12.262 -1.486 1.00 0.54 N ATOM 0 H HIS A 160 -8.210 12.632 2.554 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.033 12.995 -0.265 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.353 13.812 1.356 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -5.964 12.162 1.802 1.00 0.34 H new ATOM 0 HD1 HIS A 160 -5.987 14.313 -1.376 1.00 0.52 H new ATOM 0 HD2 HIS A 160 -3.911 11.119 0.366 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -4.071 13.758 -2.952 1.00 0.58 H new ATOM 2451 N LEU A 161 -8.096 9.969 0.835 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.110 8.568 0.458 1.00 0.28 C ATOM 2453 C LEU A 161 -9.109 8.360 -0.651 1.00 0.29 C ATOM 2454 O LEU A 161 -8.781 7.845 -1.719 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.482 7.702 1.666 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.460 6.191 1.437 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.055 5.722 1.113 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.001 5.463 2.659 1.00 1.16 C ATOM 0 H LEU A 161 -8.452 10.156 1.772 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.118 8.278 0.112 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.797 7.936 2.481 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.481 7.985 1.998 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.101 5.960 0.586 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.059 4.644 0.953 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -6.704 6.221 0.210 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.390 5.963 1.943 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -8.979 4.388 2.481 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.385 5.700 3.526 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.027 5.779 2.846 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.328 8.805 -0.397 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.392 8.690 -1.368 1.00 0.37 C ATOM 2472 C LEU A 162 -11.098 9.549 -2.596 1.00 0.38 C ATOM 2473 O LEU A 162 -11.545 9.227 -3.693 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.736 9.043 -0.716 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.878 10.460 -0.147 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.275 11.452 -1.231 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.891 10.472 0.986 1.00 1.51 C ATOM 0 H LEU A 162 -10.602 9.251 0.479 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.455 7.658 -1.714 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.522 8.894 -1.456 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -12.919 8.333 0.091 1.00 0.47 H new ATOM 0 HG LEU A 162 -11.908 10.767 0.245 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.368 12.447 -0.797 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -12.512 11.465 -2.009 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.230 11.155 -1.664 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.983 11.484 1.381 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.859 10.140 0.612 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.559 9.801 1.778 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.322 10.625 -2.413 1.00 0.37 N ATOM 2490 CA GLU A 163 -9.873 11.443 -3.541 1.00 0.44 C ATOM 2491 C GLU A 163 -9.083 10.595 -4.522 1.00 0.41 C ATOM 2492 O GLU A 163 -9.310 10.638 -5.729 1.00 0.50 O ATOM 2493 CB GLU A 163 -8.985 12.607 -3.086 1.00 0.56 C ATOM 2494 CG GLU A 163 -9.678 13.629 -2.206 1.00 1.03 C ATOM 2495 CD GLU A 163 -8.825 14.859 -1.969 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -7.725 14.735 -1.386 1.00 2.57 O ATOM 2497 OE2 GLU A 163 -9.247 15.961 -2.376 1.00 2.14 O ATOM 0 H GLU A 163 -9.996 10.946 -1.501 1.00 0.37 H new ATOM 0 HA GLU A 163 -10.767 11.847 -4.016 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.129 12.203 -2.545 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.594 13.114 -3.968 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -10.618 13.926 -2.670 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -9.926 13.172 -1.248 1.00 1.03 H new ATOM 2504 N MET A 164 -8.151 9.818 -3.993 1.00 0.37 N ATOM 2505 CA MET A 164 -7.309 8.979 -4.829 1.00 0.39 C ATOM 2506 C MET A 164 -8.112 7.816 -5.388 1.00 0.37 C ATOM 2507 O MET A 164 -7.895 7.382 -6.518 1.00 0.43 O ATOM 2508 CB MET A 164 -6.112 8.468 -4.033 1.00 0.43 C ATOM 2509 CG MET A 164 -5.189 9.564 -3.505 1.00 0.64 C ATOM 2510 SD MET A 164 -4.308 10.465 -4.805 1.00 0.58 S ATOM 2511 CE MET A 164 -5.561 11.608 -5.388 1.00 0.53 C ATOM 0 H MET A 164 -7.959 9.751 -2.993 1.00 0.37 H new ATOM 0 HA MET A 164 -6.940 9.577 -5.662 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.476 7.880 -3.191 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.532 7.795 -4.665 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.777 10.271 -2.920 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.461 9.118 -2.827 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.134 12.608 -5.466 1.00 0.53 H new ATOM 0 HE2 MET A 164 -5.918 11.288 -6.367 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.394 11.624 -4.685 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.056 7.326 -4.594 1.00 0.34 N ATOM 2522 CA ILE A 165 -9.928 6.243 -5.022 1.00 0.38 C ATOM 2523 C ILE A 165 -10.822 6.685 -6.182 1.00 0.44 C ATOM 2524 O ILE A 165 -10.947 5.972 -7.175 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.810 5.729 -3.867 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.938 5.155 -2.746 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.788 4.679 -4.371 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.724 4.720 -1.529 1.00 0.50 C ATOM 0 H ILE A 165 -9.236 7.663 -3.648 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.281 5.431 -5.353 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.381 6.567 -3.467 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.380 4.302 -3.132 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.206 5.905 -2.446 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.403 4.327 -3.543 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.428 5.116 -5.138 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.235 3.840 -4.795 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.041 4.324 -0.777 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.261 5.575 -1.118 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.437 3.947 -1.814 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.432 7.869 -6.069 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.317 8.357 -7.121 1.00 0.57 C ATOM 2542 C LEU A 166 -11.539 8.667 -8.386 1.00 0.61 C ATOM 2543 O LEU A 166 -12.052 8.517 -9.495 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.143 9.575 -6.673 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.376 10.798 -6.148 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -11.929 11.700 -7.292 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.246 11.579 -5.175 1.00 1.38 C ATOM 0 H LEU A 166 -11.329 8.496 -5.271 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.023 7.555 -7.337 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.752 9.897 -7.517 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -13.829 9.247 -5.892 1.00 0.66 H new ATOM 0 HG LEU A 166 -11.485 10.444 -5.629 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -11.389 12.557 -6.890 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -11.276 11.141 -7.962 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -12.802 12.048 -7.844 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -12.694 12.444 -4.808 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -14.150 11.914 -5.683 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -13.518 10.939 -4.336 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.311 9.112 -8.208 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.379 9.262 -9.316 1.00 0.64 C ATOM 2561 C LEU A 167 -9.301 7.945 -10.079 1.00 0.66 C ATOM 2562 O LEU A 167 -9.423 7.911 -11.304 1.00 0.75 O ATOM 2563 CB LEU A 167 -7.992 9.669 -8.784 1.00 0.64 C ATOM 2564 CG LEU A 167 -6.999 10.262 -9.800 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.471 9.202 -10.759 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -7.643 11.401 -10.574 1.00 1.51 C ATOM 0 H LEU A 167 -9.930 9.379 -7.300 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.726 10.045 -9.991 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.136 10.398 -7.986 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.531 8.790 -8.333 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.150 10.652 -9.238 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -5.773 9.661 -11.460 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -5.959 8.423 -10.194 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.303 8.763 -11.310 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -6.926 11.807 -11.287 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -8.516 11.029 -11.110 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -7.949 12.185 -9.881 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.128 6.862 -9.335 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.085 5.539 -9.913 1.00 0.69 C ATOM 2580 C VAL A 168 -10.435 5.156 -10.523 1.00 0.77 C ATOM 2581 O VAL A 168 -10.482 4.656 -11.645 1.00 0.89 O ATOM 2582 CB VAL A 168 -8.672 4.487 -8.874 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -8.647 3.113 -9.504 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.315 4.821 -8.276 1.00 0.66 C ATOM 0 H VAL A 168 -9.015 6.881 -8.321 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.335 5.562 -10.704 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.408 4.491 -8.070 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.353 2.376 -8.757 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -9.639 2.869 -9.884 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -7.931 3.103 -10.326 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.044 4.062 -7.543 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.565 4.846 -9.067 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.362 5.795 -7.789 1.00 0.66 H new