USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 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 143:sc= 0.972 USER MOD Set 1.2: A 154 THR OG1 : rot 161:sc= 1.1 USER MOD Set 2.1: A 148 CYS SG : rot 180:sc= -3.13! USER MOD Set 2.2: A 160 HIS : no HD1:sc= -0.308 K(o=-3.4,f=-2.6) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -8! C(o=-20!,f=-20!) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -8.21! C(o=-20!,f=-33!) USER MOD Set 3.3: A 93 MET CE :methyl -128:sc= -0.019 (180deg=-0.311) USER MOD Set 3.4: A 96 THR OG1 : rot -161:sc= -3.74! USER MOD Single : A 12 THR OG1 : rot 40:sc= 0.104 USER MOD Single : A 14 MET CE :methyl 152:sc= 0 (180deg=-0.334) USER MOD Single : A 21 LYS NZ :NH3+ -142:sc= -0.0187 (180deg=-1.65!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -2.4! K(o=-2.4!,f=-1.2) USER MOD Single : A 101 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.6!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 0.863 (180deg=0.815) USER MOD Single : A 107 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.5!) USER MOD Single : A 115 ASN : amide:sc= 1.4 K(o=1.4,f=-7.8!) USER MOD Single : A 116 LYS NZ :NH3+ -140:sc= 2.19 (180deg=1.06) USER MOD Single : A 117 MET CE :methyl -145:sc= -6.75! (180deg=-9.14!) USER MOD Single : A 119 LYS NZ :NH3+ -129:sc= 0.952 (180deg=0.576) USER MOD Single : A 123 ASN : amide:sc= -4.75! K(o=-4.8!,f=-0.53) USER MOD Single : A 128 MET CE :methyl 138:sc= -1.65 (180deg=-3.35) USER MOD Single : A 129 GLN : amide:sc= -1 K(o=-1,f=0) USER MOD Single : A 132 MET CE :methyl -158:sc= -0.404 (180deg=-1.39!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.279 K(o=-0.28,f=-0.95) USER MOD Single : A 145 THR OG1 : rot -9:sc= -0.892! USER MOD Single : A 149 LYS NZ :NH3+ -170:sc= 1.26 (180deg=0.918) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 159:sc= -0.204 (180deg=-0.736) USER MOD Single : A 164 MET CE :methyl 132:sc= -2.46! (180deg=-5.52!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -11.566 -3.538 -1.249 1.00 0.44 N ATOM 172 CA THR A 12 -11.552 -4.263 0.019 1.00 0.45 C ATOM 173 C THR A 12 -10.545 -3.642 0.984 1.00 0.41 C ATOM 174 O THR A 12 -9.384 -3.480 0.635 1.00 0.50 O ATOM 175 CB THR A 12 -11.184 -5.744 -0.207 1.00 0.54 C ATOM 176 OG1 THR A 12 -12.099 -6.335 -1.133 1.00 0.61 O ATOM 177 CG2 THR A 12 -11.204 -6.525 1.098 1.00 0.64 C ATOM 0 HA THR A 12 -12.551 -4.199 0.449 1.00 0.45 H new ATOM 0 HB THR A 12 -10.173 -5.782 -0.612 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.303 -5.694 -1.846 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.940 -7.565 0.904 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.484 -6.092 1.792 1.00 0.64 H new ATOM 0 HG23 THR A 12 -12.202 -6.479 1.534 1.00 0.64 H new ATOM 185 N ILE A 13 -10.981 -3.296 2.190 1.00 0.40 N ATOM 186 CA ILE A 13 -10.080 -2.685 3.163 1.00 0.40 C ATOM 187 C ILE A 13 -9.432 -3.741 4.069 1.00 0.37 C ATOM 188 O ILE A 13 -10.087 -4.668 4.554 1.00 0.52 O ATOM 189 CB ILE A 13 -10.793 -1.618 4.027 1.00 0.52 C ATOM 190 CG1 ILE A 13 -9.765 -0.792 4.811 1.00 1.15 C ATOM 191 CG2 ILE A 13 -11.777 -2.276 4.977 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.373 0.339 5.615 1.00 1.30 C ATOM 0 H ILE A 13 -11.939 -3.425 2.515 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.298 -2.188 2.588 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.345 -0.950 3.366 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -9.220 -1.453 5.486 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -9.037 -0.379 4.113 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -12.270 -1.511 5.577 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -12.524 -2.825 4.404 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -11.244 -2.965 5.633 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -9.584 0.876 6.141 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -10.893 1.023 4.945 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -11.080 -0.068 6.338 1.00 1.30 H new ATOM 204 N MET A 14 -8.138 -3.588 4.287 1.00 0.26 N ATOM 205 CA MET A 14 -7.343 -4.512 5.065 1.00 0.28 C ATOM 206 C MET A 14 -6.214 -3.747 5.759 1.00 0.24 C ATOM 207 O MET A 14 -6.052 -2.548 5.531 1.00 0.29 O ATOM 208 CB MET A 14 -6.758 -5.583 4.146 1.00 0.36 C ATOM 209 CG MET A 14 -7.751 -6.654 3.706 1.00 0.49 C ATOM 210 SD MET A 14 -7.030 -7.837 2.544 1.00 0.79 S ATOM 211 CE MET A 14 -8.396 -8.971 2.294 1.00 0.69 C ATOM 0 H MET A 14 -7.603 -2.801 3.919 1.00 0.26 H new ATOM 0 HA MET A 14 -7.969 -4.992 5.817 1.00 0.28 H new ATOM 0 HB2 MET A 14 -6.350 -5.098 3.259 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.925 -6.066 4.657 1.00 0.36 H new ATOM 0 HG2 MET A 14 -8.115 -7.188 4.583 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.614 -6.176 3.243 1.00 0.49 H new ATOM 0 HE1 MET A 14 -8.318 -9.422 1.305 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.363 -9.753 3.052 1.00 0.69 H new ATOM 0 HE3 MET A 14 -9.338 -8.429 2.373 1.00 0.69 H new ATOM 221 N GLY A 15 -5.451 -4.418 6.611 1.00 0.27 N ATOM 222 CA GLY A 15 -4.336 -3.774 7.269 1.00 0.27 C ATOM 223 C GLY A 15 -3.985 -4.419 8.592 1.00 0.24 C ATOM 224 O GLY A 15 -4.445 -5.520 8.889 1.00 0.31 O ATOM 0 H GLY A 15 -5.586 -5.399 6.857 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.466 -3.804 6.613 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.575 -2.723 7.434 1.00 0.27 H new ATOM 228 N HIS A 16 -3.160 -3.741 9.379 1.00 0.20 N ATOM 229 CA HIS A 16 -2.735 -4.277 10.671 1.00 0.17 C ATOM 230 C HIS A 16 -3.621 -3.784 11.815 1.00 0.19 C ATOM 231 O HIS A 16 -4.382 -2.822 11.686 1.00 0.22 O ATOM 232 CB HIS A 16 -1.276 -3.904 10.955 1.00 0.17 C ATOM 233 CG HIS A 16 -0.677 -4.610 12.143 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.767 -5.976 12.297 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.017 -4.093 13.204 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.162 -6.248 13.444 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.306 -5.138 14.024 1.00 0.22 N ATOM 0 H HIS A 16 -2.773 -2.826 9.150 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.830 -5.361 10.613 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.677 -4.130 10.073 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.213 -2.828 11.117 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.212 -3.051 13.372 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.060 -7.240 13.858 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.808 -5.082 14.910 1.00 0.22 H new ATOM 245 N VAL A 17 -3.497 -4.471 12.939 1.00 0.20 N ATOM 246 CA VAL A 17 -4.189 -4.128 14.165 1.00 0.25 C ATOM 247 C VAL A 17 -3.493 -2.966 14.859 1.00 0.26 C ATOM 248 O VAL A 17 -2.293 -2.775 14.682 1.00 0.25 O ATOM 249 CB VAL A 17 -4.233 -5.352 15.093 1.00 0.29 C ATOM 250 CG1 VAL A 17 -2.833 -5.887 15.332 1.00 0.30 C ATOM 251 CG2 VAL A 17 -4.884 -5.048 16.417 1.00 0.36 C ATOM 0 H VAL A 17 -2.902 -5.295 13.024 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.208 -3.825 13.925 1.00 0.25 H new ATOM 0 HB VAL A 17 -4.838 -6.105 14.589 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -2.882 -6.754 15.991 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.388 -6.179 14.381 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.222 -5.113 15.796 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -4.889 -5.946 17.035 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.326 -4.262 16.925 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -5.909 -4.716 16.251 1.00 0.36 H new ATOM 261 N ASP A 18 -4.262 -2.177 15.607 1.00 0.31 N ATOM 262 CA ASP A 18 -3.755 -0.981 16.294 1.00 0.36 C ATOM 263 C ASP A 18 -3.476 0.134 15.291 1.00 0.34 C ATOM 264 O ASP A 18 -3.405 1.308 15.643 1.00 0.41 O ATOM 265 CB ASP A 18 -2.505 -1.292 17.125 1.00 0.42 C ATOM 266 CG ASP A 18 -1.979 -0.073 17.862 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.544 0.276 18.921 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.007 0.548 17.384 1.00 0.59 O ATOM 0 H ASP A 18 -5.257 -2.346 15.757 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.528 -0.643 16.984 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -2.737 -2.076 17.846 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -1.725 -1.682 16.471 1.00 0.42 H new ATOM 273 N HIS A 19 -3.327 -0.243 14.029 1.00 0.29 N ATOM 274 CA HIS A 19 -3.276 0.720 12.947 1.00 0.32 C ATOM 275 C HIS A 19 -4.695 1.160 12.631 1.00 0.43 C ATOM 276 O HIS A 19 -4.918 2.070 11.839 1.00 0.63 O ATOM 277 CB HIS A 19 -2.622 0.135 11.690 1.00 0.29 C ATOM 278 CG HIS A 19 -1.229 -0.372 11.896 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.431 -0.707 10.834 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.546 -0.578 13.045 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.714 -1.108 11.355 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.687 -1.049 12.688 1.00 0.24 N ATOM 0 H HIS A 19 -3.239 -1.215 13.732 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.668 1.568 13.262 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.242 -0.682 11.320 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.606 0.900 10.914 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.905 -0.404 14.049 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.563 -1.441 10.777 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.444 -1.307 13.321 1.00 0.24 H new ATOM 290 N GLY A 20 -5.651 0.481 13.258 1.00 0.42 N ATOM 291 CA GLY A 20 -7.038 0.863 13.146 1.00 0.54 C ATOM 292 C GLY A 20 -7.812 0.026 12.160 1.00 0.57 C ATOM 293 O GLY A 20 -8.600 0.565 11.388 1.00 0.79 O ATOM 0 H GLY A 20 -5.482 -0.335 13.846 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.509 0.785 14.126 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.096 1.910 12.847 1.00 0.54 H new ATOM 297 N LYS A 21 -7.624 -1.289 12.188 1.00 0.61 N ATOM 298 CA LYS A 21 -8.297 -2.157 11.232 1.00 0.95 C ATOM 299 C LYS A 21 -9.817 -2.003 11.275 1.00 0.89 C ATOM 300 O LYS A 21 -10.488 -2.129 10.250 1.00 1.05 O ATOM 301 CB LYS A 21 -7.916 -3.607 11.474 1.00 1.36 C ATOM 302 CG LYS A 21 -7.120 -4.201 10.329 1.00 1.79 C ATOM 303 CD LYS A 21 -7.886 -4.112 9.017 1.00 2.30 C ATOM 304 CE LYS A 21 -9.083 -5.047 8.999 1.00 2.66 C ATOM 305 NZ LYS A 21 -9.847 -4.949 7.726 1.00 3.31 N ATOM 0 H LYS A 21 -7.019 -1.771 12.853 1.00 0.61 H new ATOM 0 HA LYS A 21 -7.966 -1.853 10.239 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.332 -3.677 12.392 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -8.821 -4.196 11.626 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -6.169 -3.676 10.234 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -6.888 -5.244 10.547 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -8.223 -3.087 8.861 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -7.220 -4.358 8.190 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.744 -6.073 9.140 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -9.740 -4.811 9.836 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -10.865 -5.025 7.925 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -9.650 -4.034 7.272 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -9.561 -5.720 7.089 1.00 3.31 H new ATOM 319 N THR A 22 -10.355 -1.732 12.451 1.00 0.84 N ATOM 320 CA THR A 22 -11.786 -1.520 12.594 1.00 0.87 C ATOM 321 C THR A 22 -12.089 -0.042 12.844 1.00 0.79 C ATOM 322 O THR A 22 -13.092 0.488 12.365 1.00 0.79 O ATOM 323 CB THR A 22 -12.361 -2.376 13.743 1.00 1.02 C ATOM 324 OG1 THR A 22 -11.966 -3.744 13.569 1.00 1.21 O ATOM 325 CG2 THR A 22 -13.881 -2.291 13.788 1.00 1.18 C ATOM 0 H THR A 22 -9.825 -1.654 13.319 1.00 0.84 H new ATOM 0 HA THR A 22 -12.262 -1.826 11.663 1.00 0.87 H new ATOM 0 HB THR A 22 -11.967 -1.990 14.683 1.00 1.02 H new ATOM 0 HG1 THR A 22 -12.330 -4.285 14.300 1.00 1.21 H new ATOM 0 HG21 THR A 22 -14.256 -2.904 14.607 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.183 -1.255 13.943 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.294 -2.653 12.846 1.00 1.18 H new ATOM 333 N THR A 23 -11.196 0.629 13.564 1.00 0.75 N ATOM 334 CA THR A 23 -11.388 2.028 13.915 1.00 0.75 C ATOM 335 C THR A 23 -11.409 2.925 12.678 1.00 0.67 C ATOM 336 O THR A 23 -12.069 3.952 12.679 1.00 0.66 O ATOM 337 CB THR A 23 -10.308 2.510 14.887 1.00 0.82 C ATOM 338 OG1 THR A 23 -10.216 1.604 15.991 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.619 3.905 15.406 1.00 1.17 C ATOM 0 H THR A 23 -10.329 0.223 13.916 1.00 0.75 H new ATOM 0 HA THR A 23 -12.359 2.098 14.405 1.00 0.75 H new ATOM 0 HB THR A 23 -9.359 2.544 14.351 1.00 0.82 H new ATOM 0 HG1 THR A 23 -9.523 1.913 16.611 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.835 4.221 16.094 1.00 1.17 H new ATOM 0 HG22 THR A 23 -10.670 4.602 14.569 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.576 3.894 15.927 1.00 1.17 H new ATOM 347 N LEU A 24 -10.714 2.526 11.622 1.00 0.65 N ATOM 348 CA LEU A 24 -10.742 3.280 10.371 1.00 0.63 C ATOM 349 C LEU A 24 -12.125 3.230 9.779 1.00 0.64 C ATOM 350 O LEU A 24 -12.656 4.238 9.325 1.00 0.65 O ATOM 351 CB LEU A 24 -9.760 2.683 9.398 1.00 0.67 C ATOM 352 CG LEU A 24 -8.396 3.379 9.295 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.528 4.712 8.574 1.00 1.49 C ATOM 354 CD2 LEU A 24 -7.778 3.582 10.671 1.00 1.30 C ATOM 0 H LEU A 24 -10.127 1.692 11.603 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.471 4.316 10.572 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.593 1.642 9.676 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.218 2.679 8.409 1.00 0.67 H new ATOM 0 HG LEU A 24 -7.735 2.733 8.718 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -7.550 5.190 8.511 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -8.916 4.545 7.569 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -9.213 5.357 9.125 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -6.813 4.077 10.567 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.439 4.200 11.279 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.639 2.615 11.154 1.00 1.30 H new ATOM 366 N LEU A 25 -12.716 2.048 9.831 1.00 0.68 N ATOM 367 CA LEU A 25 -14.043 1.822 9.292 1.00 0.75 C ATOM 368 C LEU A 25 -15.095 2.488 10.167 1.00 0.74 C ATOM 369 O LEU A 25 -16.251 2.612 9.776 1.00 0.82 O ATOM 370 CB LEU A 25 -14.317 0.321 9.201 1.00 0.85 C ATOM 371 CG LEU A 25 -14.817 -0.158 7.845 1.00 0.92 C ATOM 372 CD1 LEU A 25 -13.808 0.199 6.766 1.00 1.63 C ATOM 373 CD2 LEU A 25 -15.068 -1.655 7.877 1.00 1.69 C ATOM 0 H LEU A 25 -12.289 1.221 10.248 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.093 2.259 8.295 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -13.400 -0.216 9.445 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.054 0.054 9.959 1.00 0.85 H new ATOM 0 HG LEU A 25 -15.759 0.339 7.615 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -14.172 -0.147 5.799 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -13.673 1.280 6.738 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -12.854 -0.280 6.987 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -15.425 -1.985 6.901 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -14.141 -2.174 8.119 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -15.819 -1.882 8.634 1.00 1.69 H new ATOM 385 N ASP A 26 -14.687 2.920 11.352 1.00 0.71 N ATOM 386 CA ASP A 26 -15.588 3.600 12.267 1.00 0.75 C ATOM 387 C ASP A 26 -15.383 5.087 12.158 1.00 0.70 C ATOM 388 O ASP A 26 -16.327 5.875 12.136 1.00 0.76 O ATOM 389 CB ASP A 26 -15.330 3.171 13.692 1.00 0.81 C ATOM 390 CG ASP A 26 -16.310 3.800 14.660 1.00 1.01 C ATOM 391 OD1 ASP A 26 -17.502 3.422 14.631 1.00 1.13 O ATOM 392 OD2 ASP A 26 -15.901 4.690 15.437 1.00 1.23 O ATOM 0 H ASP A 26 -13.735 2.810 11.701 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.612 3.339 12.000 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.398 2.085 13.762 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.314 3.446 13.975 1.00 0.81 H new ATOM 397 N ALA A 27 -14.115 5.447 12.061 1.00 0.63 N ATOM 398 CA ALA A 27 -13.718 6.840 11.959 1.00 0.61 C ATOM 399 C ALA A 27 -14.208 7.420 10.647 1.00 0.58 C ATOM 400 O ALA A 27 -14.516 8.606 10.543 1.00 0.62 O ATOM 401 CB ALA A 27 -12.206 6.941 12.049 1.00 0.61 C ATOM 0 H ALA A 27 -13.337 4.787 12.051 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.162 7.407 12.777 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.906 7.986 11.973 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.870 6.536 13.004 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.754 6.373 11.235 1.00 0.61 H new ATOM 407 N ILE A 28 -14.291 6.552 9.660 1.00 0.56 N ATOM 408 CA ILE A 28 -14.676 6.924 8.318 1.00 0.57 C ATOM 409 C ILE A 28 -16.196 7.117 8.218 1.00 0.64 C ATOM 410 O ILE A 28 -16.671 7.981 7.481 1.00 0.71 O ATOM 411 CB ILE A 28 -14.166 5.841 7.344 1.00 0.61 C ATOM 412 CG1 ILE A 28 -14.121 6.334 5.908 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.009 4.583 7.436 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.342 5.391 5.020 1.00 0.85 C ATOM 0 H ILE A 28 -14.090 5.558 9.770 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.225 7.880 8.051 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.145 5.606 7.646 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -15.137 6.438 5.527 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.666 7.324 5.877 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.627 3.837 6.739 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -14.964 4.188 8.451 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.043 4.819 7.184 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.331 5.777 4.001 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.319 5.307 5.387 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.813 4.408 5.031 1.00 0.85 H new ATOM 1221 N ILE A 81 -10.044 -3.519 -5.415 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.768 -2.961 -5.000 1.00 0.42 C ATOM 1223 C ILE A 81 -8.587 -3.110 -3.497 1.00 0.38 C ATOM 1224 O ILE A 81 -9.470 -2.755 -2.727 1.00 0.57 O ATOM 1225 CB ILE A 81 -8.705 -1.464 -5.368 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.081 -1.271 -6.840 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -7.320 -0.900 -5.097 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.224 0.181 -7.238 1.00 0.71 C ATOM 0 HA ILE A 81 -7.973 -3.502 -5.514 1.00 0.42 H new ATOM 0 HB ILE A 81 -9.419 -0.924 -4.746 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.321 -1.738 -7.466 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.020 -1.789 -7.038 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -7.299 0.157 -5.364 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.082 -1.012 -4.039 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -6.584 -1.440 -5.693 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -9.491 0.245 -8.293 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.005 0.648 -6.637 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -8.279 0.699 -7.071 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.456 -3.630 -3.067 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.257 -3.843 -1.649 1.00 0.28 C ATOM 1242 C VAL A 82 -6.612 -2.642 -1.003 1.00 0.23 C ATOM 1243 O VAL A 82 -5.506 -2.246 -1.350 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.445 -5.116 -1.345 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.932 -5.118 0.094 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.319 -6.329 -1.586 1.00 1.17 C ATOM 0 H VAL A 82 -6.677 -3.908 -3.664 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.249 -3.985 -1.220 1.00 0.28 H new ATOM 0 HB VAL A 82 -5.578 -5.143 -2.005 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.363 -6.030 0.276 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.290 -4.252 0.253 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -6.777 -5.074 0.781 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.751 -7.235 -1.373 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.191 -6.285 -0.933 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.645 -6.342 -2.626 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.343 -2.051 -0.085 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.816 -0.994 0.738 1.00 0.19 C ATOM 1258 C ILE A 83 -6.024 -1.589 1.867 1.00 0.19 C ATOM 1259 O ILE A 83 -6.478 -2.498 2.549 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.917 -0.082 1.300 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.536 0.679 0.145 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.351 0.877 2.352 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.587 1.686 0.562 1.00 0.37 C ATOM 0 H ILE A 83 -8.315 -2.291 0.109 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.176 -0.375 0.109 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.679 -0.683 1.796 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.747 1.198 -0.399 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.985 -0.034 -0.547 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -8.151 1.511 2.734 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.920 0.304 3.172 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.579 1.499 1.899 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.981 2.188 -0.322 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -10.398 1.173 1.079 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -9.140 2.423 1.229 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.843 -1.072 2.056 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.962 -1.592 3.058 1.00 0.23 C ATOM 1277 C LEU A 84 -3.622 -0.475 4.043 1.00 0.24 C ATOM 1278 O LEU A 84 -2.899 0.465 3.717 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.731 -2.206 2.373 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.642 -2.766 3.286 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.741 -1.643 3.737 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.241 -3.500 4.482 1.00 1.01 C ATOM 0 H LEU A 84 -4.468 -0.286 1.525 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.431 -2.390 3.633 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -3.071 -3.009 1.719 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.282 -1.444 1.736 1.00 0.39 H new ATOM 0 HG LEU A 84 -1.055 -3.494 2.726 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.037 -2.040 4.389 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.281 -1.174 2.867 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.327 -0.902 4.281 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.439 -3.886 5.111 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.857 -2.811 5.061 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.856 -4.328 4.130 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.189 -0.570 5.230 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.991 0.425 6.260 1.00 0.27 C ATOM 1296 C VAL A 85 -2.779 0.082 7.117 1.00 0.25 C ATOM 1297 O VAL A 85 -2.791 -0.895 7.868 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.239 0.537 7.155 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -5.008 1.533 8.272 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.456 0.925 6.332 1.00 0.40 C ATOM 0 H VAL A 85 -4.799 -1.340 5.505 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.818 1.383 5.769 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.427 -0.439 7.602 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.902 1.597 8.893 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.165 1.207 8.882 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.790 2.513 7.847 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.327 0.999 6.983 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.279 1.888 5.852 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.636 0.167 5.569 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.726 0.874 6.970 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.546 0.739 7.794 1.00 0.20 C ATOM 1312 C VAL A 86 -0.259 2.025 8.545 1.00 0.17 C ATOM 1313 O VAL A 86 -0.169 3.095 7.957 1.00 0.22 O ATOM 1314 CB VAL A 86 0.697 0.363 6.972 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.714 -1.123 6.687 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.756 1.160 5.676 1.00 0.64 C ATOM 0 H VAL A 86 -1.671 1.622 6.279 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.756 -0.066 8.498 1.00 0.20 H new ATOM 0 HB VAL A 86 1.581 0.612 7.560 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.601 -1.372 6.104 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.732 -1.674 7.628 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.178 -1.396 6.124 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.645 0.875 5.114 1.00 0.64 H new ATOM 0 HG22 VAL A 86 -0.133 0.952 5.080 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.798 2.225 5.905 1.00 0.64 H new ATOM 1326 N ALA A 87 -0.130 1.917 9.845 1.00 0.17 N ATOM 1327 CA ALA A 87 0.254 3.049 10.660 1.00 0.18 C ATOM 1328 C ALA A 87 1.723 3.369 10.431 1.00 0.16 C ATOM 1329 O ALA A 87 2.574 2.490 10.546 1.00 0.24 O ATOM 1330 CB ALA A 87 -0.019 2.744 12.119 1.00 0.28 C ATOM 0 H ALA A 87 -0.286 1.054 10.365 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.334 3.923 10.379 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.271 3.599 12.730 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -1.082 2.544 12.256 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.557 1.869 12.422 1.00 0.28 H new ATOM 1336 N ALA A 88 2.022 4.625 10.111 1.00 0.12 N ATOM 1337 CA ALA A 88 3.381 5.036 9.767 1.00 0.14 C ATOM 1338 C ALA A 88 4.300 4.961 10.966 1.00 0.16 C ATOM 1339 O ALA A 88 5.513 5.108 10.841 1.00 0.22 O ATOM 1340 CB ALA A 88 3.386 6.449 9.219 1.00 0.17 C ATOM 0 H ALA A 88 1.337 5.380 10.083 1.00 0.12 H new ATOM 0 HA ALA A 88 3.746 4.348 9.005 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.407 6.738 8.968 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.766 6.494 8.324 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.989 7.132 9.970 1.00 0.17 H new ATOM 1346 N ASP A 89 3.713 4.763 12.127 1.00 0.16 N ATOM 1347 CA ASP A 89 4.499 4.645 13.346 1.00 0.21 C ATOM 1348 C ASP A 89 4.914 3.188 13.587 1.00 0.22 C ATOM 1349 O ASP A 89 5.741 2.899 14.454 1.00 0.37 O ATOM 1350 CB ASP A 89 3.713 5.218 14.536 1.00 0.30 C ATOM 1351 CG ASP A 89 3.380 4.199 15.616 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.441 3.402 15.411 1.00 0.47 O ATOM 1353 OD2 ASP A 89 4.069 4.177 16.660 1.00 0.58 O ATOM 0 H ASP A 89 2.705 4.680 12.257 1.00 0.16 H new ATOM 0 HA ASP A 89 5.414 5.226 13.236 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.291 6.027 14.982 1.00 0.30 H new ATOM 0 HB3 ASP A 89 2.785 5.655 14.167 1.00 0.30 H new ATOM 1358 N ASP A 90 4.372 2.278 12.779 1.00 0.19 N ATOM 1359 CA ASP A 90 4.588 0.845 12.989 1.00 0.23 C ATOM 1360 C ASP A 90 4.997 0.139 11.688 1.00 0.25 C ATOM 1361 O ASP A 90 5.937 -0.656 11.676 1.00 0.42 O ATOM 1362 CB ASP A 90 3.318 0.222 13.563 1.00 0.26 C ATOM 1363 CG ASP A 90 3.568 -1.101 14.260 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.539 -1.194 15.037 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.775 -2.041 14.052 1.00 0.46 O ATOM 0 H ASP A 90 3.783 2.504 11.977 1.00 0.19 H new ATOM 0 HA ASP A 90 5.408 0.718 13.696 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.866 0.918 14.269 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.598 0.072 12.758 1.00 0.26 H new ATOM 1370 N GLY A 91 4.290 0.440 10.598 1.00 0.20 N ATOM 1371 CA GLY A 91 4.648 -0.098 9.289 1.00 0.21 C ATOM 1372 C GLY A 91 3.875 -1.358 8.931 1.00 0.22 C ATOM 1373 O GLY A 91 2.703 -1.484 9.264 1.00 0.37 O ATOM 0 H GLY A 91 3.472 1.049 10.597 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.466 0.661 8.528 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.716 -0.317 9.272 1.00 0.21 H new ATOM 1377 N VAL A 92 4.528 -2.279 8.234 1.00 0.26 N ATOM 1378 CA VAL A 92 3.914 -3.558 7.874 1.00 0.26 C ATOM 1379 C VAL A 92 4.243 -4.594 8.942 1.00 0.24 C ATOM 1380 O VAL A 92 5.336 -4.597 9.513 1.00 0.28 O ATOM 1381 CB VAL A 92 4.395 -4.051 6.490 1.00 0.32 C ATOM 1382 CG1 VAL A 92 5.883 -4.362 6.510 1.00 0.96 C ATOM 1383 CG2 VAL A 92 3.592 -5.261 6.033 1.00 1.03 C ATOM 0 H VAL A 92 5.487 -2.167 7.904 1.00 0.26 H new ATOM 0 HA VAL A 92 2.835 -3.416 7.815 1.00 0.26 H new ATOM 0 HB VAL A 92 4.230 -3.248 5.772 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.196 -4.707 5.524 1.00 0.96 H new ATOM 0 HG12 VAL A 92 6.439 -3.462 6.773 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.082 -5.140 7.247 1.00 0.96 H new ATOM 0 HG21 VAL A 92 3.950 -5.588 5.057 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.712 -6.070 6.753 1.00 1.03 H new ATOM 0 HG23 VAL A 92 2.538 -4.992 5.961 1.00 1.03 H new ATOM 1393 N MET A 93 3.280 -5.452 9.213 1.00 0.22 N ATOM 1394 CA MET A 93 3.346 -6.393 10.318 1.00 0.22 C ATOM 1395 C MET A 93 2.688 -7.717 9.896 1.00 0.22 C ATOM 1396 O MET A 93 2.191 -7.811 8.772 1.00 0.23 O ATOM 1397 CB MET A 93 2.625 -5.775 11.523 1.00 0.21 C ATOM 1398 CG MET A 93 3.216 -4.443 11.963 1.00 0.23 C ATOM 1399 SD MET A 93 4.748 -4.638 12.884 1.00 0.28 S ATOM 1400 CE MET A 93 4.078 -5.190 14.444 1.00 0.27 C ATOM 0 H MET A 93 2.420 -5.518 8.668 1.00 0.22 H new ATOM 0 HA MET A 93 4.380 -6.601 10.592 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.573 -5.633 11.274 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.663 -6.475 12.358 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.400 -3.824 11.085 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.490 -3.914 12.580 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.474 -4.571 15.249 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.991 -5.107 14.423 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.359 -6.230 14.613 1.00 0.27 H new ATOM 1410 N PRO A 94 2.683 -8.753 10.768 1.00 0.25 N ATOM 1411 CA PRO A 94 2.106 -10.075 10.450 1.00 0.30 C ATOM 1412 C PRO A 94 0.747 -10.025 9.737 1.00 0.28 C ATOM 1413 O PRO A 94 0.626 -10.474 8.598 1.00 0.31 O ATOM 1414 CB PRO A 94 1.959 -10.718 11.825 1.00 0.37 C ATOM 1415 CG PRO A 94 3.082 -10.153 12.619 1.00 0.58 C ATOM 1416 CD PRO A 94 3.277 -8.742 12.124 1.00 0.30 C ATOM 0 HA PRO A 94 2.740 -10.618 9.749 1.00 0.30 H new ATOM 0 HB2 PRO A 94 0.995 -10.479 12.274 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.022 -11.804 11.764 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.850 -10.164 13.684 1.00 0.58 H new ATOM 0 HG3 PRO A 94 3.989 -10.742 12.484 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.780 -8.020 12.772 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.332 -8.471 12.095 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.278 -9.482 10.389 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.613 -9.509 9.806 1.00 0.32 C ATOM 1426 C GLN A 95 -1.754 -8.465 8.702 1.00 0.31 C ATOM 1427 O GLN A 95 -2.710 -8.475 7.933 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.693 -9.316 10.872 1.00 0.37 C ATOM 1429 CG GLN A 95 -3.071 -7.869 11.137 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.433 -7.743 11.802 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -5.455 -7.656 11.126 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.463 -7.713 13.129 1.00 0.34 N ATOM 0 H GLN A 95 -0.212 -9.028 11.300 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.753 -10.494 9.362 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.587 -9.861 10.567 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.349 -9.764 11.804 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.315 -7.408 11.772 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -3.076 -7.318 10.196 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.596 -7.788 13.661 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.353 -7.615 13.617 1.00 0.34 H new ATOM 1441 N THR A 96 -0.785 -7.571 8.633 1.00 0.26 N ATOM 1442 CA THR A 96 -0.748 -6.573 7.582 1.00 0.25 C ATOM 1443 C THR A 96 -0.379 -7.229 6.270 1.00 0.25 C ATOM 1444 O THR A 96 -1.030 -7.025 5.245 1.00 0.31 O ATOM 1445 CB THR A 96 0.277 -5.488 7.890 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.537 -5.458 9.288 1.00 0.24 O ATOM 1447 CG2 THR A 96 -0.236 -4.140 7.436 1.00 0.28 C ATOM 0 H THR A 96 -0.011 -7.516 9.295 1.00 0.26 H new ATOM 0 HA THR A 96 -1.736 -6.118 7.516 1.00 0.25 H new ATOM 0 HB THR A 96 1.200 -5.711 7.355 1.00 0.25 H new ATOM 0 HG1 THR A 96 0.943 -4.599 9.527 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.505 -3.374 7.662 1.00 0.28 H new ATOM 0 HG22 THR A 96 -0.418 -4.163 6.362 1.00 0.28 H new ATOM 0 HG23 THR A 96 -1.165 -3.910 7.957 1.00 0.28 H new ATOM 1455 N VAL A 97 0.670 -8.035 6.310 1.00 0.25 N ATOM 1456 CA VAL A 97 1.151 -8.690 5.127 1.00 0.31 C ATOM 1457 C VAL A 97 0.249 -9.839 4.673 1.00 0.23 C ATOM 1458 O VAL A 97 0.199 -10.134 3.491 1.00 0.24 O ATOM 1459 CB VAL A 97 2.597 -9.186 5.293 1.00 0.48 C ATOM 1460 CG1 VAL A 97 2.769 -10.024 6.538 1.00 1.02 C ATOM 1461 CG2 VAL A 97 2.997 -9.971 4.075 1.00 1.38 C ATOM 0 H VAL A 97 1.199 -8.245 7.157 1.00 0.25 H new ATOM 0 HA VAL A 97 1.132 -7.931 4.345 1.00 0.31 H new ATOM 0 HB VAL A 97 3.244 -8.315 5.402 1.00 0.48 H new ATOM 0 HG11 VAL A 97 3.805 -10.353 6.615 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.511 -9.430 7.415 1.00 1.02 H new ATOM 0 HG13 VAL A 97 2.115 -10.895 6.484 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.022 -10.324 4.190 1.00 1.38 H new ATOM 0 HG22 VAL A 97 2.330 -10.825 3.957 1.00 1.38 H new ATOM 0 HG23 VAL A 97 2.929 -9.334 3.193 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.479 -10.480 5.579 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.400 -11.536 5.152 1.00 0.29 C ATOM 1473 C GLU A 98 -2.449 -10.937 4.225 1.00 0.31 C ATOM 1474 O GLU A 98 -2.940 -11.596 3.307 1.00 0.37 O ATOM 1475 CB GLU A 98 -2.058 -12.236 6.352 1.00 0.39 C ATOM 1476 CG GLU A 98 -3.068 -11.390 7.116 1.00 0.92 C ATOM 1477 CD GLU A 98 -4.506 -11.837 6.902 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -5.107 -11.446 5.880 1.00 1.97 O ATOM 1479 OE2 GLU A 98 -5.041 -12.586 7.748 1.00 2.35 O ATOM 0 H GLU A 98 -0.456 -10.299 6.583 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.835 -12.298 4.616 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.556 -13.139 5.998 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -1.276 -12.553 7.042 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -2.836 -11.431 8.180 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -2.968 -10.349 6.808 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.756 -9.665 4.455 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.654 -8.917 3.594 1.00 0.35 C ATOM 1488 C ALA A 99 -2.969 -8.580 2.272 1.00 0.34 C ATOM 1489 O ALA A 99 -3.598 -8.585 1.212 1.00 0.44 O ATOM 1490 CB ALA A 99 -4.106 -7.652 4.299 1.00 0.39 C ATOM 0 H ALA A 99 -2.389 -9.129 5.241 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.529 -9.530 3.376 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.780 -7.094 3.649 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.626 -7.915 5.220 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -3.238 -7.037 4.535 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.665 -8.320 2.335 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.895 -8.024 1.150 1.00 0.29 C ATOM 1498 C ILE A 100 -0.761 -9.285 0.318 1.00 0.29 C ATOM 1499 O ILE A 100 -1.072 -9.301 -0.872 1.00 0.34 O ATOM 1500 CB ILE A 100 0.504 -7.507 1.523 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.398 -6.170 2.259 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.360 -7.385 0.279 1.00 0.36 C ATOM 1503 CD1 ILE A 100 1.709 -5.693 2.842 1.00 0.41 C ATOM 0 H ILE A 100 -1.127 -8.311 3.201 1.00 0.28 H new ATOM 0 HA ILE A 100 -1.409 -7.250 0.581 1.00 0.29 H new ATOM 0 HB ILE A 100 0.982 -8.220 2.195 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.020 -5.415 1.570 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -0.334 -6.264 3.061 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.349 -7.018 0.553 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.454 -8.362 -0.195 1.00 0.36 H new ATOM 0 HG23 ILE A 100 0.894 -6.687 -0.416 1.00 0.36 H new ATOM 0 HD11 ILE A 100 1.557 -4.740 3.348 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.079 -6.429 3.557 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.438 -5.566 2.042 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.326 -10.343 0.988 1.00 0.29 N ATOM 1516 CA ASN A 101 -0.183 -11.662 0.401 1.00 0.34 C ATOM 1517 C ASN A 101 -1.459 -12.070 -0.297 1.00 0.36 C ATOM 1518 O ASN A 101 -1.433 -12.616 -1.393 1.00 0.43 O ATOM 1519 CB ASN A 101 0.161 -12.675 1.503 1.00 0.44 C ATOM 1520 CG ASN A 101 1.636 -12.729 1.820 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.479 -12.385 0.993 1.00 0.67 O ATOM 1522 ND2 ASN A 101 1.959 -13.203 3.008 1.00 0.64 N ATOM 0 H ASN A 101 -0.059 -10.305 1.972 1.00 0.29 H new ATOM 0 HA ASN A 101 0.620 -11.639 -0.336 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.390 -12.419 2.408 1.00 0.44 H new ATOM 0 HB3 ASN A 101 -0.175 -13.665 1.195 1.00 0.44 H new ATOM 0 HD21 ASN A 101 2.940 -13.296 3.271 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.227 -13.477 3.664 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.573 -11.774 0.352 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.892 -12.042 -0.180 1.00 0.43 C ATOM 1531 C HIS A 102 -4.052 -11.385 -1.550 1.00 0.37 C ATOM 1532 O HIS A 102 -4.437 -12.027 -2.535 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.914 -11.476 0.810 1.00 0.61 C ATOM 1534 CG HIS A 102 -6.261 -12.097 0.723 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.857 -12.745 1.777 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -7.130 -12.161 -0.297 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -8.041 -13.186 1.407 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -8.235 -12.845 0.144 1.00 1.91 N ATOM 0 H HIS A 102 -2.583 -11.336 1.273 1.00 0.35 H new ATOM 0 HA HIS A 102 -4.044 -13.114 -0.308 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.532 -11.606 1.822 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -5.010 -10.403 0.641 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.986 -11.749 -1.285 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.735 -13.733 2.028 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -9.066 -13.055 -0.409 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.716 -10.108 -1.608 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.903 -9.322 -2.811 1.00 0.41 C ATOM 1549 C ALA A 103 -2.876 -9.664 -3.888 1.00 0.40 C ATOM 1550 O ALA A 103 -3.231 -9.839 -5.048 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.844 -7.843 -2.482 1.00 0.47 C ATOM 0 H ALA A 103 -3.309 -9.592 -0.828 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.887 -9.567 -3.211 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.986 -7.262 -3.393 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -4.631 -7.597 -1.769 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.873 -7.605 -2.047 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.598 -9.749 -3.510 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.535 -10.046 -4.466 1.00 0.49 C ATOM 1559 C LYS A 104 -0.712 -11.426 -5.060 1.00 0.54 C ATOM 1560 O LYS A 104 -0.410 -11.655 -6.228 1.00 0.66 O ATOM 1561 CB LYS A 104 0.815 -9.959 -3.774 1.00 0.61 C ATOM 1562 CG LYS A 104 0.973 -8.718 -2.921 1.00 0.70 C ATOM 1563 CD LYS A 104 1.122 -7.454 -3.754 1.00 0.84 C ATOM 1564 CE LYS A 104 -0.189 -6.976 -4.363 1.00 0.99 C ATOM 1565 NZ LYS A 104 -0.001 -5.786 -5.240 1.00 1.66 N ATOM 0 H LYS A 104 -1.278 -9.616 -2.551 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.584 -9.314 -5.272 1.00 0.49 H new ATOM 0 HB2 LYS A 104 0.952 -10.841 -3.148 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.603 -9.976 -4.527 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.107 -8.618 -2.267 1.00 0.70 H new ATOM 0 HG3 LYS A 104 1.846 -8.831 -2.279 1.00 0.70 H new ATOM 0 HD2 LYS A 104 1.534 -6.662 -3.129 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.841 -7.636 -4.553 1.00 0.84 H new ATOM 0 HE2 LYS A 104 -0.635 -7.785 -4.942 1.00 0.99 H new ATOM 0 HE3 LYS A 104 -0.890 -6.730 -3.565 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 -0.890 -5.578 -5.738 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 0.271 -4.967 -4.660 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 0.747 -5.982 -5.935 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.187 -12.335 -4.231 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.513 -13.691 -4.682 1.00 0.61 C ATOM 1581 C ALA A 105 -2.483 -13.659 -5.860 1.00 0.62 C ATOM 1582 O ALA A 105 -2.319 -14.405 -6.827 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.097 -14.525 -3.551 1.00 0.65 C ATOM 0 H ALA A 105 -1.359 -12.168 -3.240 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.582 -14.156 -5.008 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.328 -15.525 -3.918 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.373 -14.595 -2.739 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.009 -14.053 -3.185 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.495 -12.804 -5.773 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.442 -12.632 -6.874 1.00 0.64 C ATOM 1591 C ALA A 106 -3.881 -11.694 -7.948 1.00 0.64 C ATOM 1592 O ALA A 106 -4.332 -11.710 -9.096 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.771 -12.109 -6.349 1.00 0.68 C ATOM 0 H ALA A 106 -3.683 -12.221 -4.957 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.605 -13.606 -7.335 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.467 -11.985 -7.179 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.184 -12.819 -5.632 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.616 -11.148 -5.859 1.00 0.68 H new ATOM 1599 N ASN A 107 -2.908 -10.874 -7.533 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.196 -9.918 -8.393 1.00 0.65 C ATOM 1601 C ASN A 107 -3.022 -8.656 -8.509 1.00 0.60 C ATOM 1602 O ASN A 107 -3.163 -8.048 -9.566 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.851 -10.486 -9.769 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.871 -9.619 -10.525 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.078 -8.883 -9.931 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.898 -9.714 -11.839 1.00 1.41 N ATOM 0 H ASN A 107 -2.585 -10.856 -6.566 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.237 -9.694 -7.926 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.431 -11.485 -9.651 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.764 -10.591 -10.354 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -0.248 -9.167 -12.403 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -1.569 -10.334 -12.292 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.567 -8.282 -7.371 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.437 -7.142 -7.248 1.00 0.42 C ATOM 1615 C VAL A 108 -3.655 -5.869 -6.936 1.00 0.37 C ATOM 1616 O VAL A 108 -2.712 -5.883 -6.133 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.446 -7.402 -6.121 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -6.119 -6.121 -5.714 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.472 -8.433 -6.550 1.00 1.35 C ATOM 0 H VAL A 108 -3.412 -8.774 -6.491 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.949 -7.000 -8.200 1.00 0.42 H new ATOM 0 HB VAL A 108 -4.907 -7.796 -5.260 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.831 -6.323 -4.914 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -5.369 -5.412 -5.362 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -6.645 -5.698 -6.570 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.178 -8.603 -5.737 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -7.008 -8.070 -7.427 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -5.968 -9.368 -6.795 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.027 -4.756 -7.583 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.514 -3.433 -7.241 1.00 0.33 C ATOM 1631 C PRO A 109 -3.987 -2.988 -5.861 1.00 0.28 C ATOM 1632 O PRO A 109 -5.114 -3.271 -5.462 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.098 -2.515 -8.317 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.563 -3.426 -9.402 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.957 -4.701 -8.720 1.00 0.40 C ATOM 0 HA PRO A 109 -2.425 -3.418 -7.207 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.922 -1.921 -7.922 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.348 -1.815 -8.686 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.406 -2.994 -9.942 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.773 -3.601 -10.132 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.997 -4.681 -8.393 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.846 -5.564 -9.377 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.136 -2.282 -5.137 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.439 -1.924 -3.769 1.00 0.21 C ATOM 1645 C ILE A 110 -3.720 -0.429 -3.640 1.00 0.19 C ATOM 1646 O ILE A 110 -3.305 0.377 -4.476 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.257 -2.317 -2.842 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.989 -3.821 -2.928 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.494 -1.909 -1.398 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -3.173 -4.663 -2.527 1.00 0.60 C ATOM 0 H ILE A 110 -2.234 -1.948 -5.475 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.334 -2.469 -3.468 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.381 -1.772 -3.193 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.702 -4.074 -3.949 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.142 -4.069 -2.288 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.639 -2.206 -0.791 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.621 -0.828 -1.342 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.393 -2.400 -1.024 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.914 -5.718 -2.611 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -3.447 -4.438 -1.496 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -4.015 -4.443 -3.183 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.440 -0.094 -2.594 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.633 1.278 -2.164 1.00 0.18 C ATOM 1664 C ILE A 111 -4.180 1.363 -0.722 1.00 0.16 C ATOM 1665 O ILE A 111 -4.968 1.208 0.209 1.00 0.18 O ATOM 1666 CB ILE A 111 -6.104 1.761 -2.286 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.485 1.944 -3.748 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.318 3.077 -1.536 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.702 3.036 -4.431 1.00 0.37 C ATOM 0 H ILE A 111 -4.918 -0.777 -2.006 1.00 0.18 H new ATOM 0 HA ILE A 111 -4.052 1.931 -2.816 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.740 0.997 -1.839 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.327 1.005 -4.279 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.549 2.172 -3.814 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.357 3.390 -1.640 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -6.085 2.936 -0.481 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.665 3.844 -1.953 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.020 3.116 -5.470 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.880 3.984 -3.923 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.639 2.799 -4.394 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.890 1.522 -0.533 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.363 1.645 0.792 1.00 0.18 C ATOM 1683 C VAL A 112 -2.781 2.962 1.368 1.00 0.20 C ATOM 1684 O VAL A 112 -2.901 3.961 0.668 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.839 1.537 0.828 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.326 1.627 2.240 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.397 0.239 0.217 1.00 0.19 C ATOM 0 H VAL A 112 -2.196 1.568 -1.279 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.762 0.820 1.382 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.429 2.368 0.254 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.761 1.547 2.238 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.619 2.583 2.673 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.748 0.816 2.833 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.691 0.174 0.248 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.827 -0.592 0.777 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.734 0.191 -0.819 1.00 0.19 H new ATOM 1697 N ALA A 113 -3.011 2.939 2.634 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.443 4.108 3.340 1.00 0.24 C ATOM 1699 C ALA A 113 -2.822 4.131 4.708 1.00 0.25 C ATOM 1700 O ALA A 113 -3.248 3.427 5.622 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.952 4.158 3.398 1.00 0.29 C ATOM 0 H ALA A 113 -2.906 2.109 3.217 1.00 0.21 H new ATOM 0 HA ALA A 113 -3.113 5.001 2.810 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -5.266 5.052 3.937 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.354 4.185 2.385 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.326 3.273 3.913 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.783 4.921 4.815 1.00 0.24 N ATOM 1708 CA ILE A 114 -1.021 5.021 6.025 1.00 0.27 C ATOM 1709 C ILE A 114 -1.796 5.809 7.067 1.00 0.30 C ATOM 1710 O ILE A 114 -2.477 6.756 6.740 1.00 0.50 O ATOM 1711 CB ILE A 114 0.337 5.674 5.718 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.088 4.794 4.720 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.141 5.861 6.984 1.00 0.44 C ATOM 1714 CD1 ILE A 114 2.407 5.364 4.243 1.00 0.59 C ATOM 0 H ILE A 114 -1.444 5.514 4.058 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.840 4.026 6.432 1.00 0.27 H new ATOM 0 HB ILE A 114 0.179 6.662 5.285 1.00 0.33 H new ATOM 0 HG12 ILE A 114 1.272 3.823 5.179 1.00 0.38 H new ATOM 0 HG13 ILE A 114 0.448 4.621 3.855 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.098 6.324 6.742 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.591 6.502 7.673 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.315 4.892 7.451 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.869 4.672 3.539 1.00 0.59 H new ATOM 0 HD12 ILE A 114 2.233 6.321 3.751 1.00 0.59 H new ATOM 0 HD13 ILE A 114 3.070 5.510 5.096 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.697 5.389 8.307 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.423 5.997 9.414 1.00 0.22 C ATOM 1728 C ASN A 115 -1.407 6.476 10.404 1.00 0.20 C ATOM 1729 O ASN A 115 -0.212 6.200 10.245 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.350 4.957 10.038 1.00 0.33 C ATOM 1731 CG ASN A 115 -4.188 5.522 11.157 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -4.540 6.704 11.147 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.504 4.686 12.124 1.00 0.56 N ATOM 0 H ASN A 115 -1.105 4.607 8.586 1.00 0.19 H new ATOM 0 HA ASN A 115 -3.036 6.835 9.081 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.006 4.552 9.267 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -2.755 4.127 10.419 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -5.065 5.007 12.913 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.187 3.717 12.084 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.864 7.208 11.393 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.010 7.678 12.441 1.00 0.20 C ATOM 1742 C LYS A 116 -0.087 8.787 11.961 1.00 0.21 C ATOM 1743 O LYS A 116 1.045 8.911 12.421 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.245 6.496 13.032 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.073 5.680 14.000 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.211 4.725 14.808 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.036 3.774 15.662 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.171 2.910 16.513 1.00 0.59 N ATOM 0 H LYS A 116 -2.840 7.491 11.487 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.619 8.122 13.228 1.00 0.20 H new ATOM 0 HB2 LYS A 116 0.098 5.851 12.223 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.644 6.865 13.544 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.607 6.348 14.675 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -1.825 5.115 13.449 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.418 4.147 14.131 1.00 0.40 H new ATOM 0 HD3 LYS A 116 0.456 5.299 15.451 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -1.713 4.347 16.295 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -1.654 3.149 15.018 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -0.559 1.945 16.535 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 0.791 2.887 16.119 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.141 3.293 17.479 1.00 0.59 H new ATOM 1762 N MET A 117 -0.592 9.597 11.034 1.00 0.21 N ATOM 1763 CA MET A 117 0.077 10.836 10.652 1.00 0.28 C ATOM 1764 C MET A 117 -0.213 11.889 11.694 1.00 0.29 C ATOM 1765 O MET A 117 0.431 12.937 11.752 1.00 0.37 O ATOM 1766 CB MET A 117 -0.388 11.308 9.282 1.00 0.38 C ATOM 1767 CG MET A 117 0.177 10.467 8.171 1.00 0.48 C ATOM 1768 SD MET A 117 1.936 10.706 7.962 1.00 0.77 S ATOM 1769 CE MET A 117 2.321 9.099 7.320 1.00 0.92 C ATOM 0 H MET A 117 -1.462 9.417 10.534 1.00 0.21 H new ATOM 0 HA MET A 117 1.151 10.658 10.594 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.477 11.279 9.240 1.00 0.38 H new ATOM 0 HB3 MET A 117 -0.091 12.347 9.137 1.00 0.38 H new ATOM 0 HG2 MET A 117 -0.022 9.415 8.378 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.333 10.711 7.239 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.303 8.790 7.678 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.570 8.384 7.656 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.327 9.134 6.231 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.209 11.585 12.505 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.533 12.372 13.683 1.00 0.34 C ATOM 1781 C ASP A 118 -0.388 12.289 14.680 1.00 0.33 C ATOM 1782 O ASP A 118 -0.179 13.189 15.494 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.805 11.836 14.324 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.739 10.337 14.525 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -3.008 9.597 13.548 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.423 9.892 15.646 1.00 0.76 O ATOM 0 H ASP A 118 -1.820 10.781 12.365 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.687 13.411 13.391 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.963 12.326 15.285 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.661 12.082 13.696 1.00 0.39 H new ATOM 1791 N LYS A 119 0.346 11.192 14.607 1.00 0.23 N ATOM 1792 CA LYS A 119 1.508 10.987 15.442 1.00 0.26 C ATOM 1793 C LYS A 119 2.732 11.602 14.789 1.00 0.28 C ATOM 1794 O LYS A 119 2.977 11.394 13.607 1.00 0.26 O ATOM 1795 CB LYS A 119 1.738 9.490 15.652 1.00 0.29 C ATOM 1796 CG LYS A 119 0.580 8.787 16.338 1.00 0.36 C ATOM 1797 CD LYS A 119 0.889 7.324 16.608 1.00 0.72 C ATOM 1798 CE LYS A 119 2.118 7.154 17.486 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.921 7.727 18.845 1.00 1.17 N ATOM 0 H LYS A 119 0.150 10.422 13.967 1.00 0.23 H new ATOM 0 HA LYS A 119 1.338 11.466 16.407 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.916 9.019 14.685 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.641 9.350 16.246 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.354 9.290 17.278 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.311 8.861 15.715 1.00 0.36 H new ATOM 0 HD2 LYS A 119 0.031 6.855 17.090 1.00 0.72 H new ATOM 0 HD3 LYS A 119 1.045 6.806 15.662 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.358 6.094 17.572 1.00 0.87 H new ATOM 0 HE3 LYS A 119 2.972 7.636 17.010 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.714 8.360 19.073 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 1.031 8.264 18.869 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.880 6.958 19.544 1.00 1.17 H new ATOM 1813 N PRO A 120 3.518 12.375 15.552 1.00 0.38 N ATOM 1814 CA PRO A 120 4.801 12.916 15.075 1.00 0.45 C ATOM 1815 C PRO A 120 5.799 11.796 14.791 1.00 0.40 C ATOM 1816 O PRO A 120 6.852 12.005 14.186 1.00 0.45 O ATOM 1817 CB PRO A 120 5.288 13.782 16.239 1.00 0.57 C ATOM 1818 CG PRO A 120 4.526 13.316 17.434 1.00 0.58 C ATOM 1819 CD PRO A 120 3.210 12.806 16.923 1.00 0.48 C ATOM 0 HA PRO A 120 4.697 13.471 14.143 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.361 13.668 16.390 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.104 14.839 16.045 1.00 0.57 H new ATOM 0 HG2 PRO A 120 5.069 12.531 17.960 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.378 14.131 18.143 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.837 11.980 17.529 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.446 13.583 16.937 1.00 0.48 H new ATOM 1827 N GLU A 121 5.436 10.608 15.255 1.00 0.35 N ATOM 1828 CA GLU A 121 6.210 9.390 15.050 1.00 0.37 C ATOM 1829 C GLU A 121 5.917 8.788 13.678 1.00 0.30 C ATOM 1830 O GLU A 121 6.427 7.725 13.325 1.00 0.37 O ATOM 1831 CB GLU A 121 5.858 8.398 16.155 1.00 0.48 C ATOM 1832 CG GLU A 121 6.015 8.996 17.540 1.00 0.62 C ATOM 1833 CD GLU A 121 5.499 8.094 18.643 1.00 1.04 C ATOM 1834 OE1 GLU A 121 6.150 7.070 18.929 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.446 8.406 19.230 1.00 1.45 O ATOM 0 H GLU A 121 4.582 10.461 15.793 1.00 0.35 H new ATOM 0 HA GLU A 121 7.274 9.623 15.088 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.830 8.060 16.022 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.496 7.519 16.067 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.069 9.211 17.718 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.485 9.947 17.580 1.00 0.62 H new ATOM 1842 N ALA A 122 5.056 9.474 12.933 1.00 0.24 N ATOM 1843 CA ALA A 122 4.736 9.120 11.555 1.00 0.22 C ATOM 1844 C ALA A 122 5.990 9.025 10.703 1.00 0.21 C ATOM 1845 O ALA A 122 6.764 9.979 10.600 1.00 0.26 O ATOM 1846 CB ALA A 122 3.787 10.147 10.963 1.00 0.27 C ATOM 0 H ALA A 122 4.557 10.297 13.271 1.00 0.24 H new ATOM 0 HA ALA A 122 4.256 8.141 11.562 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.553 9.875 9.934 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.868 10.174 11.549 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.258 11.130 10.981 1.00 0.27 H new ATOM 1852 N ASN A 123 6.181 7.867 10.098 1.00 0.21 N ATOM 1853 CA ASN A 123 7.277 7.652 9.171 1.00 0.23 C ATOM 1854 C ASN A 123 6.724 7.029 7.905 1.00 0.23 C ATOM 1855 O ASN A 123 6.865 5.834 7.659 1.00 0.25 O ATOM 1856 CB ASN A 123 8.347 6.752 9.778 1.00 0.26 C ATOM 1857 CG ASN A 123 9.644 7.460 9.998 1.00 0.42 C ATOM 1858 OD1 ASN A 123 9.889 8.032 11.061 1.00 0.95 O ATOM 1859 ND2 ASN A 123 10.486 7.430 9.001 1.00 0.52 N ATOM 0 H ASN A 123 5.583 7.052 10.235 1.00 0.21 H new ATOM 0 HA ASN A 123 7.746 8.610 8.945 1.00 0.23 H new ATOM 0 HB2 ASN A 123 7.987 6.359 10.729 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.512 5.898 9.121 1.00 0.26 H new ATOM 0 HD21 ASN A 123 11.391 7.893 9.084 1.00 0.52 H new ATOM 0 HD22 ASN A 123 10.239 6.943 8.139 1.00 0.52 H new ATOM 1866 N PRO A 124 6.083 7.859 7.088 1.00 0.25 N ATOM 1867 CA PRO A 124 5.348 7.423 5.896 1.00 0.32 C ATOM 1868 C PRO A 124 6.203 6.730 4.862 1.00 0.33 C ATOM 1869 O PRO A 124 6.026 5.546 4.586 1.00 0.35 O ATOM 1870 CB PRO A 124 4.809 8.726 5.329 1.00 0.40 C ATOM 1871 CG PRO A 124 5.658 9.799 5.912 1.00 0.32 C ATOM 1872 CD PRO A 124 6.008 9.313 7.279 1.00 0.27 C ATOM 0 HA PRO A 124 4.591 6.684 6.156 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.863 8.732 4.240 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.762 8.866 5.597 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.552 9.965 5.311 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.122 10.747 5.955 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.955 9.726 7.627 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.251 9.588 8.014 1.00 0.27 H new ATOM 1880 N ASP A 125 7.120 7.483 4.293 1.00 0.37 N ATOM 1881 CA ASP A 125 8.011 6.967 3.274 1.00 0.44 C ATOM 1882 C ASP A 125 8.833 5.821 3.832 1.00 0.34 C ATOM 1883 O ASP A 125 9.289 4.955 3.095 1.00 0.33 O ATOM 1884 CB ASP A 125 8.912 8.079 2.752 1.00 0.61 C ATOM 1885 CG ASP A 125 8.127 9.144 1.999 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.202 9.742 2.595 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.417 9.382 0.805 1.00 1.13 O ATOM 0 H ASP A 125 7.269 8.466 4.522 1.00 0.37 H new ATOM 0 HA ASP A 125 7.418 6.589 2.441 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.439 8.540 3.587 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.669 7.653 2.093 1.00 0.61 H new ATOM 1892 N ARG A 126 8.975 5.799 5.148 1.00 0.31 N ATOM 1893 CA ARG A 126 9.672 4.708 5.817 1.00 0.31 C ATOM 1894 C ARG A 126 8.871 3.428 5.690 1.00 0.27 C ATOM 1895 O ARG A 126 9.324 2.439 5.114 1.00 0.30 O ATOM 1896 CB ARG A 126 9.885 5.035 7.296 1.00 0.35 C ATOM 1897 CG ARG A 126 10.198 3.828 8.171 1.00 0.51 C ATOM 1898 CD ARG A 126 11.543 3.206 7.837 1.00 1.24 C ATOM 1899 NE ARG A 126 11.627 1.831 8.325 1.00 1.92 N ATOM 1900 CZ ARG A 126 12.560 1.382 9.161 1.00 2.94 C ATOM 1901 NH1 ARG A 126 13.463 2.212 9.671 1.00 3.49 N ATOM 1902 NH2 ARG A 126 12.580 0.099 9.492 1.00 3.79 N ATOM 0 H ARG A 126 8.619 6.521 5.774 1.00 0.31 H new ATOM 0 HA ARG A 126 10.644 4.576 5.342 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.701 5.752 7.383 1.00 0.35 H new ATOM 0 HB3 ARG A 126 8.989 5.524 7.680 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.190 4.130 9.218 1.00 0.51 H new ATOM 0 HG3 ARG A 126 9.414 3.080 8.049 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.695 3.221 6.758 1.00 1.24 H new ATOM 0 HD3 ARG A 126 12.342 3.801 8.280 1.00 1.24 H new ATOM 0 HE ARG A 126 10.921 1.169 8.002 1.00 1.92 H new ATOM 0 HH11 ARG A 126 13.444 3.201 9.423 1.00 3.49 H new ATOM 0 HH12 ARG A 126 14.175 1.860 10.311 1.00 3.49 H new ATOM 0 HH21 ARG A 126 11.883 -0.538 9.106 1.00 3.79 H new ATOM 0 HH22 ARG A 126 13.292 -0.251 10.132 1.00 3.79 H new ATOM 1916 N VAL A 127 7.667 3.476 6.221 1.00 0.25 N ATOM 1917 CA VAL A 127 6.809 2.308 6.279 1.00 0.28 C ATOM 1918 C VAL A 127 6.384 1.848 4.886 1.00 0.28 C ATOM 1919 O VAL A 127 6.262 0.652 4.644 1.00 0.33 O ATOM 1920 CB VAL A 127 5.589 2.542 7.200 1.00 0.36 C ATOM 1921 CG1 VAL A 127 6.082 2.854 8.598 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.665 3.654 6.707 1.00 0.44 C ATOM 0 H VAL A 127 7.256 4.319 6.622 1.00 0.25 H new ATOM 0 HA VAL A 127 7.395 1.501 6.718 1.00 0.28 H new ATOM 0 HB VAL A 127 4.994 1.629 7.195 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.229 3.021 9.256 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.670 2.016 8.972 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.702 3.750 8.574 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.830 3.766 7.398 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.220 4.591 6.653 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.285 3.400 5.718 1.00 0.44 H new ATOM 1932 N MET A 128 6.220 2.792 3.961 1.00 0.27 N ATOM 1933 CA MET A 128 5.813 2.459 2.593 1.00 0.31 C ATOM 1934 C MET A 128 6.980 1.835 1.808 1.00 0.26 C ATOM 1935 O MET A 128 6.770 1.129 0.822 1.00 0.35 O ATOM 1936 CB MET A 128 5.261 3.708 1.870 1.00 0.52 C ATOM 1937 CG MET A 128 6.312 4.718 1.431 1.00 0.81 C ATOM 1938 SD MET A 128 5.618 6.348 1.028 1.00 0.67 S ATOM 1939 CE MET A 128 4.547 5.995 -0.370 1.00 0.46 C ATOM 0 H MET A 128 6.361 3.788 4.130 1.00 0.27 H new ATOM 0 HA MET A 128 5.015 1.718 2.646 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.703 3.383 0.992 1.00 0.52 H new ATOM 0 HB3 MET A 128 4.553 4.208 2.531 1.00 0.52 H new ATOM 0 HG2 MET A 128 7.051 4.831 2.224 1.00 0.81 H new ATOM 0 HG3 MET A 128 6.838 4.329 0.559 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.612 6.544 -0.260 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.041 6.300 -1.293 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.337 4.926 -0.407 1.00 0.46 H new ATOM 1949 N GLN A 129 8.213 2.064 2.264 1.00 0.24 N ATOM 1950 CA GLN A 129 9.383 1.474 1.601 1.00 0.27 C ATOM 1951 C GLN A 129 9.501 -0.009 1.917 1.00 0.30 C ATOM 1952 O GLN A 129 9.768 -0.824 1.035 1.00 0.33 O ATOM 1953 CB GLN A 129 10.677 2.179 2.003 1.00 0.32 C ATOM 1954 CG GLN A 129 10.965 3.441 1.207 1.00 0.42 C ATOM 1955 CD GLN A 129 12.236 4.135 1.659 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.351 5.357 1.592 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.205 3.356 2.116 1.00 1.31 N ATOM 0 H GLN A 129 8.428 2.643 3.076 1.00 0.24 H new ATOM 0 HA GLN A 129 9.234 1.604 0.529 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.627 2.433 3.062 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.510 1.486 1.880 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.049 3.189 0.150 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.125 4.128 1.305 1.00 0.42 H new ATOM 0 HE21 GLN A 129 13.071 2.346 2.156 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.085 3.767 2.428 1.00 1.31 H new ATOM 1966 N GLU A 130 9.296 -0.355 3.179 1.00 0.37 N ATOM 1967 CA GLU A 130 9.356 -1.750 3.609 1.00 0.43 C ATOM 1968 C GLU A 130 8.160 -2.495 3.050 1.00 0.36 C ATOM 1969 O GLU A 130 8.183 -3.711 2.857 1.00 0.35 O ATOM 1970 CB GLU A 130 9.378 -1.825 5.132 1.00 0.61 C ATOM 1971 CG GLU A 130 10.198 -0.707 5.731 1.00 0.63 C ATOM 1972 CD GLU A 130 10.390 -0.832 7.223 1.00 1.04 C ATOM 1973 OE1 GLU A 130 11.332 -1.532 7.649 1.00 1.64 O ATOM 1974 OE2 GLU A 130 9.630 -0.200 7.978 1.00 1.63 O ATOM 0 H GLU A 130 9.087 0.308 3.925 1.00 0.37 H new ATOM 0 HA GLU A 130 10.268 -2.213 3.234 1.00 0.43 H new ATOM 0 HB2 GLU A 130 8.358 -1.775 5.514 1.00 0.61 H new ATOM 0 HB3 GLU A 130 9.788 -2.786 5.444 1.00 0.61 H new ATOM 0 HG2 GLU A 130 11.175 -0.685 5.248 1.00 0.63 H new ATOM 0 HG3 GLU A 130 9.713 0.245 5.514 1.00 0.63 H new ATOM 1981 N LEU A 131 7.120 -1.729 2.770 1.00 0.36 N ATOM 1982 CA LEU A 131 5.964 -2.225 2.067 1.00 0.37 C ATOM 1983 C LEU A 131 6.389 -2.736 0.701 1.00 0.29 C ATOM 1984 O LEU A 131 5.895 -3.755 0.223 1.00 0.32 O ATOM 1985 CB LEU A 131 4.921 -1.110 1.947 1.00 0.49 C ATOM 1986 CG LEU A 131 4.189 -0.799 3.253 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.350 0.456 3.146 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.304 -1.952 3.625 1.00 1.18 C ATOM 0 H LEU A 131 7.059 -0.744 3.027 1.00 0.36 H new ATOM 0 HA LEU A 131 5.514 -3.051 2.617 1.00 0.37 H new ATOM 0 HB2 LEU A 131 5.412 -0.204 1.593 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.189 -1.392 1.190 1.00 0.49 H new ATOM 0 HG LEU A 131 4.945 -0.637 4.022 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.847 0.640 4.096 1.00 1.36 H new ATOM 0 HD12 LEU A 131 3.992 1.303 2.905 1.00 1.36 H new ATOM 0 HD13 LEU A 131 2.605 0.330 2.360 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.784 -1.726 4.556 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.574 -2.120 2.833 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.910 -2.848 3.756 1.00 1.18 H new ATOM 2000 N MET A 132 7.346 -2.052 0.092 1.00 0.25 N ATOM 2001 CA MET A 132 7.870 -2.500 -1.189 1.00 0.26 C ATOM 2002 C MET A 132 8.827 -3.668 -1.031 1.00 0.30 C ATOM 2003 O MET A 132 9.116 -4.367 -1.996 1.00 0.37 O ATOM 2004 CB MET A 132 8.590 -1.408 -1.946 1.00 0.32 C ATOM 2005 CG MET A 132 7.887 -0.081 -1.936 1.00 0.88 C ATOM 2006 SD MET A 132 8.283 0.885 -3.399 1.00 1.60 S ATOM 2007 CE MET A 132 9.987 0.432 -3.667 1.00 1.61 C ATOM 0 H MET A 132 7.770 -1.199 0.457 1.00 0.25 H new ATOM 0 HA MET A 132 6.992 -2.807 -1.758 1.00 0.26 H new ATOM 0 HB2 MET A 132 9.585 -1.282 -1.519 1.00 0.32 H new ATOM 0 HB3 MET A 132 8.724 -1.727 -2.980 1.00 0.32 H new ATOM 0 HG2 MET A 132 6.810 -0.239 -1.884 1.00 0.88 H new ATOM 0 HG3 MET A 132 8.171 0.476 -1.043 1.00 0.88 H new ATOM 0 HE1 MET A 132 10.479 1.203 -4.260 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.493 0.335 -2.706 1.00 1.61 H new ATOM 0 HE3 MET A 132 10.032 -0.519 -4.198 1.00 1.61 H new ATOM 2017 N GLU A 133 9.331 -3.879 0.178 1.00 0.32 N ATOM 2018 CA GLU A 133 10.150 -5.045 0.440 1.00 0.40 C ATOM 2019 C GLU A 133 9.256 -6.270 0.435 1.00 0.38 C ATOM 2020 O GLU A 133 9.720 -7.404 0.315 1.00 0.45 O ATOM 2021 CB GLU A 133 10.888 -4.919 1.771 1.00 0.54 C ATOM 2022 CG GLU A 133 11.912 -3.796 1.795 1.00 0.79 C ATOM 2023 CD GLU A 133 13.177 -4.189 2.529 1.00 1.07 C ATOM 2024 OE1 GLU A 133 13.167 -4.170 3.779 1.00 1.53 O ATOM 2025 OE2 GLU A 133 14.182 -4.515 1.866 1.00 1.67 O ATOM 0 H GLU A 133 9.187 -3.265 0.980 1.00 0.32 H new ATOM 0 HA GLU A 133 10.909 -5.135 -0.337 1.00 0.40 H new ATOM 0 HB2 GLU A 133 10.161 -4.753 2.566 1.00 0.54 H new ATOM 0 HB3 GLU A 133 11.390 -5.862 1.989 1.00 0.54 H new ATOM 0 HG2 GLU A 133 12.161 -3.512 0.772 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.475 -2.919 2.272 1.00 0.79 H new ATOM 2032 N TYR A 134 7.959 -6.014 0.568 1.00 0.35 N ATOM 2033 CA TYR A 134 6.949 -7.041 0.415 1.00 0.40 C ATOM 2034 C TYR A 134 6.419 -7.025 -1.023 1.00 0.41 C ATOM 2035 O TYR A 134 5.401 -7.639 -1.348 1.00 0.50 O ATOM 2036 CB TYR A 134 5.838 -6.838 1.438 1.00 0.46 C ATOM 2037 CG TYR A 134 6.266 -7.124 2.872 1.00 0.55 C ATOM 2038 CD1 TYR A 134 7.513 -6.742 3.342 1.00 0.88 C ATOM 2039 CD2 TYR A 134 5.411 -7.772 3.755 1.00 0.98 C ATOM 2040 CE1 TYR A 134 7.895 -7.000 4.645 1.00 0.95 C ATOM 2041 CE2 TYR A 134 5.783 -8.033 5.058 1.00 1.08 C ATOM 2042 CZ TYR A 134 7.061 -7.654 5.485 1.00 0.80 C ATOM 2043 OH TYR A 134 7.404 -7.899 6.797 1.00 0.95 O ATOM 0 H TYR A 134 7.585 -5.090 0.784 1.00 0.35 H new ATOM 0 HA TYR A 134 7.384 -8.023 0.601 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.480 -5.811 1.373 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.999 -7.485 1.183 1.00 0.46 H new ATOM 0 HD1 TYR A 134 8.198 -6.234 2.679 1.00 0.88 H new ATOM 0 HD2 TYR A 134 4.433 -8.078 3.414 1.00 0.98 H new ATOM 0 HE1 TYR A 134 8.865 -6.678 4.994 1.00 0.95 H new ATOM 0 HE2 TYR A 134 5.100 -8.521 5.737 1.00 1.08 H new ATOM 0 HH TYR A 134 6.675 -8.380 7.242 1.00 0.95 H new ATOM 2053 N ASN A 135 7.152 -6.288 -1.861 1.00 0.36 N ATOM 2054 CA ASN A 135 6.936 -6.202 -3.304 1.00 0.43 C ATOM 2055 C ASN A 135 5.578 -5.604 -3.641 1.00 0.48 C ATOM 2056 O ASN A 135 4.769 -6.193 -4.360 1.00 0.64 O ATOM 2057 CB ASN A 135 7.135 -7.569 -3.967 1.00 0.58 C ATOM 2058 CG ASN A 135 7.029 -7.529 -5.475 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.271 -6.499 -6.112 1.00 0.89 O ATOM 2060 ND2 ASN A 135 6.678 -8.656 -6.057 1.00 1.10 N ATOM 0 H ASN A 135 7.936 -5.718 -1.543 1.00 0.36 H new ATOM 0 HA ASN A 135 7.685 -5.522 -3.710 1.00 0.43 H new ATOM 0 HB2 ASN A 135 8.114 -7.959 -3.690 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.392 -8.265 -3.577 1.00 0.58 H new ATOM 0 HD21 ASN A 135 6.597 -8.702 -7.073 1.00 1.10 H new ATOM 0 HD22 ASN A 135 6.487 -9.484 -5.492 1.00 1.10 H new ATOM 2067 N LEU A 136 5.323 -4.440 -3.081 1.00 0.44 N ATOM 2068 CA LEU A 136 4.232 -3.615 -3.511 1.00 0.54 C ATOM 2069 C LEU A 136 4.713 -2.161 -3.524 1.00 0.41 C ATOM 2070 O LEU A 136 5.186 -1.642 -2.514 1.00 0.47 O ATOM 2071 CB LEU A 136 3.037 -3.837 -2.592 1.00 0.78 C ATOM 2072 CG LEU A 136 3.059 -3.106 -1.255 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.014 -2.010 -1.258 1.00 1.36 C ATOM 2074 CD2 LEU A 136 2.821 -4.075 -0.113 1.00 1.17 C ATOM 0 H LEU A 136 5.871 -4.046 -2.316 1.00 0.44 H new ATOM 0 HA LEU A 136 3.905 -3.872 -4.518 1.00 0.54 H new ATOM 0 HB2 LEU A 136 2.135 -3.540 -3.128 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.953 -4.906 -2.395 1.00 0.78 H new ATOM 0 HG LEU A 136 4.041 -2.656 -1.111 1.00 0.64 H new ATOM 0 HD11 LEU A 136 2.031 -1.488 -0.301 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.229 -1.304 -2.060 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.028 -2.448 -1.415 1.00 1.36 H new ATOM 0 HD21 LEU A 136 2.840 -3.534 0.833 1.00 1.17 H new ATOM 0 HD22 LEU A 136 1.849 -4.553 -0.238 1.00 1.17 H new ATOM 0 HD23 LEU A 136 3.602 -4.835 -0.112 1.00 1.17 H new ATOM 2086 N VAL A 137 4.633 -1.518 -4.678 1.00 0.31 N ATOM 2087 CA VAL A 137 5.300 -0.233 -4.876 1.00 0.27 C ATOM 2088 C VAL A 137 4.300 0.905 -5.064 1.00 0.29 C ATOM 2089 O VAL A 137 3.374 0.806 -5.865 1.00 0.33 O ATOM 2090 CB VAL A 137 6.252 -0.274 -6.087 1.00 0.29 C ATOM 2091 CG1 VAL A 137 6.867 1.102 -6.330 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.336 -1.322 -5.868 1.00 0.41 C ATOM 0 H VAL A 137 4.117 -1.859 -5.489 1.00 0.31 H new ATOM 0 HA VAL A 137 5.878 -0.045 -3.971 1.00 0.27 H new ATOM 0 HB VAL A 137 5.681 -0.550 -6.973 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.537 1.055 -7.189 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.075 1.825 -6.527 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.429 1.410 -5.448 1.00 0.43 H new ATOM 0 HG21 VAL A 137 8.003 -1.342 -6.730 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.907 -1.073 -4.974 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.875 -2.302 -5.743 1.00 0.41 H new ATOM 2102 N PRO A 138 4.477 1.978 -4.278 1.00 0.34 N ATOM 2103 CA PRO A 138 3.738 3.223 -4.399 1.00 0.43 C ATOM 2104 C PRO A 138 3.618 3.724 -5.819 1.00 0.43 C ATOM 2105 O PRO A 138 4.537 3.600 -6.628 1.00 0.45 O ATOM 2106 CB PRO A 138 4.580 4.204 -3.599 1.00 0.53 C ATOM 2107 CG PRO A 138 5.251 3.387 -2.567 1.00 0.54 C ATOM 2108 CD PRO A 138 5.390 2.012 -3.142 1.00 0.39 C ATOM 0 HA PRO A 138 2.712 3.098 -4.054 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.307 4.709 -4.235 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.960 4.978 -3.147 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.226 3.803 -2.315 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.666 3.366 -1.647 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.416 1.818 -3.455 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.132 1.250 -2.407 1.00 0.39 H new ATOM 2116 N GLU A 139 2.492 4.336 -6.081 1.00 0.48 N ATOM 2117 CA GLU A 139 2.218 4.916 -7.394 1.00 0.56 C ATOM 2118 C GLU A 139 2.863 6.281 -7.523 1.00 0.56 C ATOM 2119 O GLU A 139 2.918 6.860 -8.608 1.00 0.64 O ATOM 2120 CB GLU A 139 0.717 5.000 -7.682 1.00 0.71 C ATOM 2121 CG GLU A 139 0.112 3.680 -8.127 1.00 1.35 C ATOM 2122 CD GLU A 139 0.795 3.119 -9.358 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.973 2.721 -9.264 1.00 3.08 O ATOM 2124 OE2 GLU A 139 0.156 3.080 -10.424 1.00 2.78 O ATOM 0 H GLU A 139 1.737 4.452 -5.405 1.00 0.48 H new ATOM 0 HA GLU A 139 2.655 4.251 -8.138 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.201 5.343 -6.785 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.545 5.749 -8.455 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.184 2.958 -7.314 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -0.949 3.821 -8.335 1.00 1.35 H new ATOM 2131 N GLU A 140 3.335 6.802 -6.403 1.00 0.54 N ATOM 2132 CA GLU A 140 4.210 7.959 -6.418 1.00 0.60 C ATOM 2133 C GLU A 140 5.548 7.582 -7.041 1.00 0.56 C ATOM 2134 O GLU A 140 6.245 8.429 -7.597 1.00 0.65 O ATOM 2135 CB GLU A 140 4.427 8.509 -5.003 1.00 0.67 C ATOM 2136 CG GLU A 140 4.470 7.446 -3.933 1.00 0.63 C ATOM 2137 CD GLU A 140 3.107 7.204 -3.325 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.362 6.370 -3.876 1.00 1.57 O ATOM 2139 OE2 GLU A 140 2.790 7.842 -2.298 1.00 1.27 O ATOM 0 H GLU A 140 3.126 6.441 -5.472 1.00 0.54 H new ATOM 0 HA GLU A 140 3.736 8.739 -7.014 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.361 9.070 -4.981 1.00 0.67 H new ATOM 0 HB3 GLU A 140 3.627 9.212 -4.771 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.848 6.517 -4.359 1.00 0.63 H new ATOM 0 HG3 GLU A 140 5.168 7.745 -3.151 1.00 0.63 H new ATOM 2146 N TRP A 141 5.904 6.300 -6.943 1.00 0.47 N ATOM 2147 CA TRP A 141 7.167 5.824 -7.458 1.00 0.49 C ATOM 2148 C TRP A 141 6.954 4.960 -8.696 1.00 0.51 C ATOM 2149 O TRP A 141 7.910 4.493 -9.315 1.00 0.66 O ATOM 2150 CB TRP A 141 7.894 5.057 -6.376 1.00 0.45 C ATOM 2151 CG TRP A 141 8.031 5.815 -5.081 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.913 7.163 -4.870 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.312 5.245 -3.810 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.089 7.448 -3.537 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.343 6.285 -2.868 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.539 3.951 -3.389 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.586 6.057 -1.517 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 8.785 3.716 -2.053 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.807 4.765 -1.127 1.00 0.52 C ATOM 0 H TRP A 141 5.327 5.580 -6.509 1.00 0.47 H new ATOM 0 HA TRP A 141 7.778 6.676 -7.756 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.363 4.124 -6.186 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.887 4.791 -6.737 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.711 7.895 -5.638 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.038 8.376 -3.117 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.524 3.134 -4.095 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.600 6.868 -0.804 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 8.964 2.706 -1.716 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.002 4.551 -0.087 1.00 0.52 H new ATOM 2170 N GLY A 142 5.693 4.744 -9.046 1.00 0.45 N ATOM 2171 CA GLY A 142 5.368 4.061 -10.284 1.00 0.50 C ATOM 2172 C GLY A 142 5.372 2.551 -10.166 1.00 0.45 C ATOM 2173 O GLY A 142 5.739 1.857 -11.116 1.00 0.53 O ATOM 0 H GLY A 142 4.886 5.031 -8.492 1.00 0.45 H new ATOM 0 HA2 GLY A 142 4.384 4.388 -10.621 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.083 4.358 -11.051 1.00 0.50 H new ATOM 2177 N GLY A 143 4.980 2.032 -9.010 1.00 0.39 N ATOM 2178 CA GLY A 143 4.840 0.597 -8.864 1.00 0.41 C ATOM 2179 C GLY A 143 3.475 0.117 -9.303 1.00 0.45 C ATOM 2180 O GLY A 143 3.189 0.053 -10.502 1.00 0.60 O ATOM 0 H GLY A 143 4.758 2.575 -8.176 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.608 0.095 -9.453 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.005 0.320 -7.823 1.00 0.41 H new ATOM 2184 N ASP A 144 2.632 -0.228 -8.336 1.00 0.40 N ATOM 2185 CA ASP A 144 1.241 -0.550 -8.621 1.00 0.45 C ATOM 2186 C ASP A 144 0.398 -0.500 -7.348 1.00 0.33 C ATOM 2187 O ASP A 144 -0.278 -1.466 -6.971 1.00 0.35 O ATOM 2188 CB ASP A 144 1.127 -1.938 -9.278 1.00 0.64 C ATOM 2189 CG ASP A 144 1.587 -3.079 -8.371 1.00 1.33 C ATOM 2190 OD1 ASP A 144 2.752 -3.054 -7.914 1.00 1.91 O ATOM 2191 OD2 ASP A 144 0.789 -4.002 -8.102 1.00 1.91 O ATOM 0 H ASP A 144 2.888 -0.291 -7.351 1.00 0.40 H new ATOM 0 HA ASP A 144 0.860 0.198 -9.317 1.00 0.45 H new ATOM 0 HB2 ASP A 144 0.091 -2.110 -9.569 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.720 -1.949 -10.192 1.00 0.64 H new ATOM 2196 N THR A 145 0.392 0.660 -6.716 1.00 0.26 N ATOM 2197 CA THR A 145 -0.375 0.873 -5.499 1.00 0.24 C ATOM 2198 C THR A 145 -0.465 2.356 -5.163 1.00 0.27 C ATOM 2199 O THR A 145 0.552 2.988 -4.888 1.00 0.37 O ATOM 2200 CB THR A 145 0.255 0.143 -4.293 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.224 -1.278 -4.474 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.480 0.513 -3.022 1.00 0.30 C ATOM 0 H THR A 145 0.915 1.478 -7.029 1.00 0.26 H new ATOM 0 HA THR A 145 -1.371 0.470 -5.686 1.00 0.24 H new ATOM 0 HB THR A 145 1.296 0.456 -4.216 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.318 -1.496 -5.261 1.00 0.30 H new ATOM 0 HG21 THR A 145 -0.029 -0.006 -2.177 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.414 1.589 -2.864 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.527 0.223 -3.110 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.662 2.921 -5.169 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.832 4.282 -4.711 1.00 0.28 C ATOM 2212 C ILE A 146 -1.662 4.322 -3.199 1.00 0.23 C ATOM 2213 O ILE A 146 -2.490 3.805 -2.448 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.205 4.857 -5.112 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.258 5.146 -6.616 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.515 6.115 -4.318 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.368 6.292 -7.047 1.00 0.63 C ATOM 0 H ILE A 146 -2.517 2.462 -5.482 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.074 4.903 -5.188 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.963 4.109 -4.881 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -2.967 4.247 -7.160 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.287 5.371 -6.898 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.488 6.504 -4.617 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.530 5.879 -3.254 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.749 6.866 -4.512 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.458 6.438 -8.123 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.672 7.203 -6.531 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.332 6.062 -6.797 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.548 4.883 -2.767 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.246 5.012 -1.355 1.00 0.30 C ATOM 2231 C PHE A 147 -0.788 6.319 -0.798 1.00 0.32 C ATOM 2232 O PHE A 147 -0.428 7.403 -1.257 1.00 0.50 O ATOM 2233 CB PHE A 147 1.260 4.965 -1.131 1.00 0.41 C ATOM 2234 CG PHE A 147 1.823 3.588 -0.935 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.830 2.664 -1.971 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.317 3.205 0.292 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.329 1.398 -1.779 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.815 1.935 0.489 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.900 1.056 -0.593 1.00 0.33 C ATOM 0 H PHE A 147 0.171 5.261 -3.384 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.723 4.180 -0.837 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.755 5.427 -1.985 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.502 5.570 -0.257 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.439 2.943 -2.938 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.314 3.909 1.111 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.267 0.670 -2.575 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.137 1.622 1.471 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.415 0.112 -0.489 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.664 6.213 0.179 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.112 7.377 0.918 1.00 0.27 C ATOM 2251 C CYS A 148 -1.371 7.463 2.233 1.00 0.31 C ATOM 2252 O CYS A 148 -0.905 6.458 2.769 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.620 7.335 1.173 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.275 8.745 2.103 1.00 0.68 S ATOM 0 H CYS A 148 -2.081 5.332 0.481 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.899 8.261 0.316 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -4.135 7.280 0.214 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.857 6.419 1.715 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.558 8.605 2.257 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.266 8.668 2.730 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.615 8.934 4.001 1.00 0.28 C ATOM 2262 C LYS A 149 -1.554 9.763 4.859 1.00 0.28 C ATOM 2263 O LYS A 149 -1.562 10.994 4.784 1.00 0.40 O ATOM 2264 CB LYS A 149 0.704 9.684 3.782 1.00 0.36 C ATOM 2265 CG LYS A 149 1.645 8.991 2.811 1.00 0.56 C ATOM 2266 CD LYS A 149 2.881 9.832 2.540 1.00 0.89 C ATOM 2267 CE LYS A 149 3.741 9.213 1.452 1.00 1.01 C ATOM 2268 NZ LYS A 149 4.920 10.059 1.115 1.00 1.44 N ATOM 0 H LYS A 149 -1.629 9.501 2.268 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.387 7.993 4.501 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.485 10.685 3.411 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.208 9.803 4.741 1.00 0.36 H new ATOM 0 HG2 LYS A 149 1.943 8.025 3.218 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.124 8.795 1.874 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.582 10.837 2.242 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.464 9.931 3.456 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.083 8.230 1.777 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.138 9.061 0.557 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.381 9.687 0.260 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 4.608 11.036 0.943 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.595 10.045 1.906 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.353 9.084 5.660 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.425 9.722 6.380 1.00 0.22 C ATOM 2284 C LEU A 150 -3.311 9.517 7.884 1.00 0.19 C ATOM 2285 O LEU A 150 -2.351 8.959 8.404 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.772 9.193 5.873 1.00 0.25 C ATOM 2287 CG LEU A 150 -5.032 7.705 6.054 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.873 7.441 7.293 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.692 7.128 4.810 1.00 0.84 C ATOM 0 H LEU A 150 -2.274 8.081 5.826 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.356 10.794 6.197 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.566 9.742 6.380 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.851 9.426 4.811 1.00 0.25 H new ATOM 0 HG LEU A 150 -4.074 7.205 6.197 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -6.042 6.369 7.396 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.349 7.812 8.174 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.831 7.952 7.198 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.872 6.063 4.954 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.640 7.635 4.633 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -5.037 7.272 3.951 1.00 0.84 H new ATOM 2301 N SER A 151 -4.330 9.978 8.552 1.00 0.26 N ATOM 2302 CA SER A 151 -4.440 9.963 9.984 1.00 0.29 C ATOM 2303 C SER A 151 -5.912 9.993 10.329 1.00 0.25 C ATOM 2304 O SER A 151 -6.545 11.046 10.255 1.00 0.29 O ATOM 2305 CB SER A 151 -3.764 11.199 10.540 1.00 0.46 C ATOM 2306 OG SER A 151 -3.891 12.295 9.647 1.00 1.77 O ATOM 0 H SER A 151 -5.142 10.392 8.094 1.00 0.26 H new ATOM 0 HA SER A 151 -3.968 9.076 10.405 1.00 0.29 H new ATOM 0 HB2 SER A 151 -4.205 11.457 11.503 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.709 10.991 10.718 1.00 0.46 H new ATOM 0 HG SER A 151 -4.021 13.121 10.159 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.480 8.853 10.666 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.889 8.821 10.985 1.00 0.31 C ATOM 2314 C ALA A 152 -8.109 9.378 12.375 1.00 0.33 C ATOM 2315 O ALA A 152 -9.238 9.608 12.800 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.442 7.422 10.854 1.00 0.41 C ATOM 0 H ALA A 152 -5.999 7.956 10.725 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.429 9.446 10.273 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.504 7.426 11.100 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.308 7.072 9.831 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.914 6.757 11.537 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.006 9.586 13.080 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.055 10.272 14.352 1.00 0.34 C ATOM 2324 C LYS A 153 -7.303 11.764 14.145 1.00 0.36 C ATOM 2325 O LYS A 153 -8.228 12.324 14.730 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.771 10.051 15.116 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.972 9.739 16.585 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.587 10.911 17.336 1.00 1.12 C ATOM 2329 CE LYS A 153 -6.659 10.653 18.830 1.00 1.65 C ATOM 2330 NZ LYS A 153 -7.399 11.725 19.548 1.00 2.30 N ATOM 0 H LYS A 153 -6.074 9.289 12.790 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.881 9.864 14.935 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.222 9.231 14.653 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.149 10.942 15.026 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.616 8.865 16.686 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.013 9.482 17.036 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -5.998 11.809 17.151 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.589 11.102 16.952 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -7.146 9.695 19.009 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -5.649 10.577 19.233 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -7.424 11.508 20.565 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -6.920 12.636 19.400 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -8.371 11.781 19.182 1.00 2.30 H new ATOM 2344 N THR A 154 -6.496 12.417 13.304 1.00 0.30 N ATOM 2345 CA THR A 154 -6.679 13.847 13.081 1.00 0.39 C ATOM 2346 C THR A 154 -7.675 14.138 11.964 1.00 0.36 C ATOM 2347 O THR A 154 -8.030 15.292 11.721 1.00 0.41 O ATOM 2348 CB THR A 154 -5.349 14.563 12.803 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.500 13.728 12.011 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.652 14.929 14.102 1.00 0.70 C ATOM 0 H THR A 154 -5.731 11.990 12.781 1.00 0.30 H new ATOM 0 HA THR A 154 -7.092 14.241 14.010 1.00 0.39 H new ATOM 0 HB THR A 154 -5.561 15.481 12.255 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.812 14.276 11.580 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.712 15.435 13.881 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.292 15.591 14.684 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.450 14.024 14.674 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.108 13.073 11.286 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.198 13.147 10.307 1.00 0.32 C ATOM 2360 C LYS A 155 -8.801 13.952 9.089 1.00 0.34 C ATOM 2361 O LYS A 155 -9.558 14.787 8.598 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.459 13.736 10.934 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.144 12.789 11.888 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.387 11.450 11.223 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.298 10.579 12.069 1.00 0.61 C ATOM 2366 NZ LYS A 155 -13.602 11.239 12.356 1.00 1.36 N ATOM 0 H LYS A 155 -7.716 12.138 11.398 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.409 12.127 9.986 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.200 14.652 11.465 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.156 14.012 10.143 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.530 12.653 12.779 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.092 13.216 12.216 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.834 11.604 10.241 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.436 10.941 11.064 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -12.476 9.635 11.554 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -11.799 10.340 13.008 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.307 10.518 12.610 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -13.487 11.905 13.146 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.923 11.755 11.512 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.621 13.672 8.593 1.00 0.30 N ATOM 2381 CA GLU A 156 -7.096 14.408 7.445 1.00 0.33 C ATOM 2382 C GLU A 156 -7.154 13.556 6.193 1.00 0.28 C ATOM 2383 O GLU A 156 -7.896 13.817 5.232 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.643 14.802 7.701 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.410 15.388 9.074 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.956 15.716 9.322 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.448 16.688 8.726 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -3.306 14.990 10.099 1.00 2.48 O ATOM 0 H GLU A 156 -7.002 12.947 8.955 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.707 15.299 7.305 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.010 13.924 7.577 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.333 15.527 6.948 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -6.008 16.293 9.186 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.754 14.683 9.830 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.366 12.509 6.230 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.202 11.675 5.081 1.00 0.28 C ATOM 2397 C GLY A 157 -7.409 10.815 4.773 1.00 0.27 C ATOM 2398 O GLY A 157 -7.409 10.119 3.767 1.00 0.29 O ATOM 0 H GLY A 157 -5.830 12.220 7.049 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.984 12.302 4.216 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.337 11.030 5.233 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.432 10.831 5.626 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.640 10.089 5.327 1.00 0.28 C ATOM 2404 C LEU A 158 -10.310 10.702 4.115 1.00 0.30 C ATOM 2405 O LEU A 158 -10.781 9.998 3.218 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.593 10.072 6.521 1.00 0.31 C ATOM 2407 CG LEU A 158 -10.171 9.151 7.668 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -11.245 9.105 8.740 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.875 7.752 7.146 1.00 0.80 C ATOM 0 H LEU A 158 -8.444 11.340 6.510 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.374 9.054 5.113 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.688 11.087 6.906 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.581 9.768 6.175 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.261 9.552 8.114 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.926 8.445 9.547 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.408 10.108 9.135 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -12.173 8.729 8.309 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.576 7.110 7.975 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.768 7.343 6.674 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -9.068 7.800 6.415 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.318 12.027 4.083 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.812 12.746 2.931 1.00 0.38 C ATOM 2423 C ASP A 159 -9.899 12.509 1.745 1.00 0.32 C ATOM 2424 O ASP A 159 -10.356 12.162 0.657 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.924 14.248 3.218 1.00 0.50 C ATOM 2426 CG ASP A 159 -12.201 14.614 3.948 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -12.364 14.196 5.114 1.00 2.20 O ATOM 2428 OD2 ASP A 159 -13.045 15.325 3.360 1.00 1.42 O ATOM 0 H ASP A 159 -9.987 12.620 4.844 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.810 12.373 2.700 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -10.067 14.564 3.813 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -10.879 14.797 2.278 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.592 12.652 1.971 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.614 12.497 0.898 1.00 0.30 C ATOM 2435 C HIS A 160 -7.603 11.068 0.344 1.00 0.28 C ATOM 2436 O HIS A 160 -7.256 10.852 -0.818 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.218 12.893 1.393 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.154 12.798 0.342 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -4.891 13.809 -0.558 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.291 11.804 0.047 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -3.915 13.436 -1.364 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.532 12.224 -1.016 1.00 0.54 N ATOM 0 H HIS A 160 -8.190 12.873 2.882 1.00 0.30 H new ATOM 0 HA HIS A 160 -7.904 13.161 0.084 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.253 13.915 1.770 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -5.945 12.253 2.232 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.212 10.854 0.554 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.501 14.023 -2.170 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -2.791 11.685 -1.464 1.00 0.54 H new ATOM 2451 N LEU A 161 -7.980 10.105 1.171 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.001 8.703 0.766 1.00 0.28 C ATOM 2453 C LEU A 161 -9.008 8.488 -0.343 1.00 0.29 C ATOM 2454 O LEU A 161 -8.663 8.052 -1.439 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.355 7.808 1.958 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.436 6.310 1.654 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.112 5.789 1.114 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -8.855 5.541 2.900 1.00 1.16 C ATOM 0 H LEU A 161 -8.278 10.268 2.133 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.008 8.439 0.403 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.612 7.963 2.740 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.314 8.132 2.361 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.191 6.157 0.883 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.198 4.722 0.907 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -6.860 6.318 0.195 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.328 5.953 1.853 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -8.909 4.477 2.670 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.124 5.705 3.692 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -9.833 5.890 3.232 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.249 8.819 -0.042 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.348 8.674 -0.989 1.00 0.37 C ATOM 2472 C LEU A 162 -11.055 9.461 -2.253 1.00 0.38 C ATOM 2473 O LEU A 162 -11.329 9.002 -3.360 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.632 9.182 -0.343 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.791 8.794 1.122 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -14.042 9.419 1.713 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -12.821 7.281 1.280 1.00 1.51 C ATOM 0 H LEU A 162 -10.528 9.196 0.864 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.464 7.623 -1.255 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -12.661 10.269 -0.425 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.484 8.797 -0.903 1.00 0.47 H new ATOM 0 HG LEU A 162 -11.929 9.177 1.668 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -14.135 9.128 2.759 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -13.974 10.505 1.643 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.917 9.074 1.162 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -12.935 7.027 2.334 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -13.659 6.873 0.716 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -11.890 6.857 0.904 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.478 10.644 -2.064 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.051 11.497 -3.177 1.00 0.44 C ATOM 2491 C GLU A 163 -9.125 10.743 -4.134 1.00 0.41 C ATOM 2492 O GLU A 163 -9.222 10.883 -5.354 1.00 0.50 O ATOM 2493 CB GLU A 163 -9.337 12.743 -2.644 1.00 0.56 C ATOM 2494 CG GLU A 163 -10.261 13.730 -1.951 1.00 1.03 C ATOM 2495 CD GLU A 163 -10.955 14.664 -2.917 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -11.904 14.213 -3.594 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -10.572 15.850 -3.004 1.00 2.57 O ATOM 0 H GLU A 163 -10.292 11.040 -1.142 1.00 0.37 H new ATOM 0 HA GLU A 163 -10.943 11.796 -3.728 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.560 12.434 -1.944 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.838 13.247 -3.472 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -11.011 13.180 -1.383 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -9.686 14.317 -1.235 1.00 1.03 H new ATOM 2504 N MET A 164 -8.230 9.939 -3.576 1.00 0.37 N ATOM 2505 CA MET A 164 -7.308 9.150 -4.383 1.00 0.39 C ATOM 2506 C MET A 164 -8.006 7.920 -4.946 1.00 0.37 C ATOM 2507 O MET A 164 -7.779 7.538 -6.090 1.00 0.43 O ATOM 2508 CB MET A 164 -6.087 8.726 -3.563 1.00 0.43 C ATOM 2509 CG MET A 164 -5.199 9.881 -3.105 1.00 0.64 C ATOM 2510 SD MET A 164 -4.341 10.718 -4.460 1.00 0.58 S ATOM 2511 CE MET A 164 -5.640 11.743 -5.148 1.00 0.53 C ATOM 0 H MET A 164 -8.123 9.816 -2.569 1.00 0.37 H new ATOM 0 HA MET A 164 -6.971 9.775 -5.210 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.428 8.176 -2.686 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.487 8.037 -4.158 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.810 10.608 -2.569 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.461 9.502 -2.398 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.268 12.759 -5.284 1.00 0.53 H new ATOM 0 HE2 MET A 164 -5.951 11.338 -6.111 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.492 11.757 -4.468 1.00 0.53 H new ATOM 2521 N ILE A 165 -8.859 7.310 -4.131 1.00 0.34 N ATOM 2522 CA ILE A 165 -9.614 6.134 -4.543 1.00 0.38 C ATOM 2523 C ILE A 165 -10.484 6.430 -5.764 1.00 0.44 C ATOM 2524 O ILE A 165 -10.500 5.658 -6.722 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.522 5.625 -3.407 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.683 5.195 -2.199 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.376 4.470 -3.897 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.509 4.804 -0.992 1.00 0.50 C ATOM 0 H ILE A 165 -9.045 7.613 -3.175 1.00 0.34 H new ATOM 0 HA ILE A 165 -8.882 5.367 -4.796 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.178 6.438 -3.096 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.054 4.352 -2.486 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.016 6.011 -1.922 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.013 4.119 -3.085 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -11.997 4.804 -4.728 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -10.731 3.657 -4.230 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -9.847 4.512 -0.177 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.118 5.651 -0.678 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.157 3.967 -1.251 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.207 7.544 -5.732 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.094 7.888 -6.836 1.00 0.57 C ATOM 2542 C LEU A 166 -11.300 8.198 -8.092 1.00 0.61 C ATOM 2543 O LEU A 166 -11.738 7.893 -9.200 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.034 9.045 -6.474 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.386 10.331 -5.947 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -12.039 11.271 -7.093 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.313 11.015 -4.952 1.00 1.38 C ATOM 0 H LEU A 166 -11.197 8.216 -4.965 1.00 0.46 H new ATOM 0 HA LEU A 166 -12.719 7.018 -7.036 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.616 9.298 -7.360 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -13.737 8.687 -5.722 1.00 0.66 H new ATOM 0 HG LEU A 166 -11.460 10.068 -5.436 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -11.581 12.176 -6.695 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -11.341 10.778 -7.769 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -12.947 11.533 -7.636 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -12.843 11.927 -4.584 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -14.254 11.264 -5.443 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -13.507 10.344 -4.115 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.136 8.796 -7.911 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.196 8.984 -9.009 1.00 0.64 C ATOM 2561 C LEU A 167 -8.932 7.640 -9.671 1.00 0.66 C ATOM 2562 O LEU A 167 -8.989 7.505 -10.894 1.00 0.75 O ATOM 2563 CB LEU A 167 -7.889 9.598 -8.484 1.00 0.64 C ATOM 2564 CG LEU A 167 -6.926 10.177 -9.534 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.145 9.078 -10.240 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -7.683 11.021 -10.549 1.00 1.51 C ATOM 0 H LEU A 167 -9.816 9.161 -7.014 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.619 9.668 -9.745 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.144 10.392 -7.782 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.356 8.833 -7.920 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.212 10.813 -9.010 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -5.474 9.523 -10.975 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -5.562 8.519 -9.508 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -6.839 8.404 -10.743 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -6.984 11.421 -11.283 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -8.425 10.403 -11.054 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -8.183 11.844 -10.038 1.00 1.51 H new ATOM 2578 N VAL A 168 -8.670 6.641 -8.844 1.00 0.61 N ATOM 2579 CA VAL A 168 -8.449 5.291 -9.313 1.00 0.69 C ATOM 2580 C VAL A 168 -9.713 4.710 -9.958 1.00 0.77 C ATOM 2581 O VAL A 168 -9.631 4.069 -11.003 1.00 0.89 O ATOM 2582 CB VAL A 168 -7.982 4.377 -8.165 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -7.689 2.987 -8.684 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -6.757 4.958 -7.480 1.00 0.66 C ATOM 0 H VAL A 168 -8.606 6.747 -7.832 1.00 0.61 H new ATOM 0 HA VAL A 168 -7.665 5.336 -10.069 1.00 0.69 H new ATOM 0 HB VAL A 168 -8.785 4.311 -7.431 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -7.360 2.353 -7.861 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -8.592 2.567 -9.128 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -6.904 3.038 -9.438 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -6.444 4.297 -6.672 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -5.948 5.056 -8.203 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -6.999 5.939 -7.072 1.00 0.66 H new