USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=24 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 -168:sc= 1.15 USER MOD Set 1.2: A 154 THR OG1 : rot 180:sc= -3.71! USER MOD Set 2.1: A 104 LYS NZ :NH3+ -172:sc= 1.9 (180deg=1.1) USER MOD Set 2.2: A 135 ASN : amide:sc= 0.63 K(o=2.5,f=-11!) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -6.04 X(o=-16,f=-16!) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -5.75! C(o=-16!,f=-29!) USER MOD Set 3.3: A 96 THR OG1 : rot -160:sc= -3.94! USER MOD Set 4.1: A 14 MET CE :methyl -125:sc= -0.144 (180deg=-3.49!) USER MOD Set 4.2: A 102 HIS : no HE2:sc= -6.82! C(o=-7!,f=-8.5!) USER MOD Single : A 12 THR OG1 : rot 23:sc= 0.245 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 50:sc= -0.613 USER MOD Single : A 93 MET CE :methyl -121:sc= 0 (180deg=-0.183) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.12 F(o=-2.6!,f=-1.1) USER MOD Single : A 101 ASN : amide:sc= -0.0784 K(o=-0.078,f=-1.3!) USER MOD Single : A 107 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.2!) USER MOD Single : A 115 ASN : amide:sc= 1.78 K(o=1.8,f=-8.7!) USER MOD Single : A 116 LYS NZ :NH3+ -156:sc= 0.545 (180deg=0.318) USER MOD Single : A 117 MET CE :methyl -163:sc= -8.24! (180deg=-9.67!) USER MOD Single : A 119 LYS NZ :NH3+ -174:sc= 1.07 (180deg=0.904) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.151 F(o=-1.4,f=-0.15) USER MOD Single : A 128 MET CE :methyl 136:sc= -3.14 (180deg=-6.96!) USER MOD Single : A 129 GLN : amide:sc= 0.954 K(o=0.95,f=0) USER MOD Single : A 132 MET CE :methyl -159:sc= -0.553 (180deg=-1.85!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot -13:sc= -1.38! USER MOD Single : A 148 CYS SG : rot 160:sc= -1.45 USER MOD Single : A 149 LYS NZ :NH3+ -150:sc= 1.14 (180deg=0.484) USER MOD Single : A 153 LYS NZ :NH3+ 170:sc= 0.789 (180deg=0.722) USER MOD Single : A 155 LYS NZ :NH3+ 157:sc= -0.22 (180deg=-0.917) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 MET CE :methyl -109:sc= -1.88! (180deg=-4.72!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -11.839 -3.350 -0.273 1.00 0.44 N ATOM 172 CA THR A 12 -11.577 -4.181 0.886 1.00 0.45 C ATOM 173 C THR A 12 -10.634 -3.465 1.850 1.00 0.41 C ATOM 174 O THR A 12 -9.589 -2.968 1.441 1.00 0.50 O ATOM 175 CB THR A 12 -10.954 -5.515 0.442 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.737 -6.093 -0.611 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.867 -6.493 1.600 1.00 0.64 C ATOM 0 HA THR A 12 -12.520 -4.376 1.397 1.00 0.45 H new ATOM 0 HB THR A 12 -9.945 -5.312 0.084 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.248 -5.389 -1.062 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.423 -7.427 1.255 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.249 -6.067 2.390 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.867 -6.689 1.987 1.00 0.64 H new ATOM 185 N ILE A 13 -11.011 -3.391 3.119 1.00 0.40 N ATOM 186 CA ILE A 13 -10.161 -2.770 4.127 1.00 0.40 C ATOM 187 C ILE A 13 -9.303 -3.816 4.817 1.00 0.37 C ATOM 188 O ILE A 13 -9.817 -4.764 5.410 1.00 0.52 O ATOM 189 CB ILE A 13 -10.993 -2.000 5.180 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.706 -0.817 4.522 1.00 1.15 C ATOM 191 CG2 ILE A 13 -10.110 -1.527 6.328 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.763 0.170 3.871 1.00 1.30 C ATOM 0 H ILE A 13 -11.896 -3.752 3.475 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.517 -2.056 3.614 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.743 -2.675 5.591 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -12.400 -1.194 3.771 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -12.301 -0.298 5.274 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.717 -0.988 7.056 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.646 -2.388 6.809 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -9.334 -0.866 5.942 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -11.337 0.982 3.425 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -10.085 0.575 4.622 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.186 -0.335 3.096 1.00 1.30 H new ATOM 204 N MET A 14 -7.991 -3.655 4.715 1.00 0.26 N ATOM 205 CA MET A 14 -7.056 -4.566 5.317 1.00 0.28 C ATOM 206 C MET A 14 -5.905 -3.786 5.928 1.00 0.24 C ATOM 207 O MET A 14 -5.837 -2.569 5.791 1.00 0.29 O ATOM 208 CB MET A 14 -6.519 -5.523 4.266 1.00 0.36 C ATOM 209 CG MET A 14 -7.514 -6.572 3.805 1.00 0.49 C ATOM 210 SD MET A 14 -6.790 -7.700 2.600 1.00 0.79 S ATOM 211 CE MET A 14 -8.188 -8.743 2.203 1.00 0.69 C ATOM 0 H MET A 14 -7.554 -2.884 4.209 1.00 0.26 H new ATOM 0 HA MET A 14 -7.563 -5.135 6.096 1.00 0.28 H new ATOM 0 HB2 MET A 14 -6.191 -4.946 3.401 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.639 -6.026 4.666 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.869 -7.139 4.666 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.383 -6.081 3.367 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.922 -9.787 2.368 1.00 0.69 H new ATOM 0 HE2 MET A 14 -9.032 -8.479 2.840 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.464 -8.600 1.158 1.00 0.69 H new ATOM 221 N GLY A 15 -5.005 -4.486 6.585 1.00 0.27 N ATOM 222 CA GLY A 15 -3.878 -3.846 7.196 1.00 0.27 C ATOM 223 C GLY A 15 -3.562 -4.469 8.523 1.00 0.24 C ATOM 224 O GLY A 15 -4.013 -5.575 8.803 1.00 0.31 O ATOM 0 H GLY A 15 -5.039 -5.498 6.705 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.012 -3.922 6.539 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.086 -2.784 7.329 1.00 0.27 H new ATOM 228 N HIS A 16 -2.786 -3.784 9.336 1.00 0.20 N ATOM 229 CA HIS A 16 -2.469 -4.309 10.652 1.00 0.17 C ATOM 230 C HIS A 16 -3.425 -3.774 11.710 1.00 0.19 C ATOM 231 O HIS A 16 -4.063 -2.732 11.548 1.00 0.22 O ATOM 232 CB HIS A 16 -1.028 -3.986 11.043 1.00 0.17 C ATOM 233 CG HIS A 16 -0.571 -4.716 12.272 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.704 -6.079 12.394 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.030 -4.227 13.404 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.244 -6.379 13.599 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.177 -5.287 14.245 1.00 0.22 N ATOM 0 H HIS A 16 -2.369 -2.879 9.118 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.583 -5.392 10.600 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.368 -4.237 10.213 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -0.936 -2.913 11.210 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.198 -3.192 13.610 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.213 -7.378 14.008 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.575 -5.251 15.183 1.00 0.22 H new ATOM 245 N VAL A 17 -3.511 -4.521 12.792 1.00 0.20 N ATOM 246 CA VAL A 17 -4.318 -4.170 13.943 1.00 0.25 C ATOM 247 C VAL A 17 -3.653 -3.062 14.742 1.00 0.26 C ATOM 248 O VAL A 17 -2.429 -2.946 14.744 1.00 0.25 O ATOM 249 CB VAL A 17 -4.508 -5.414 14.819 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.161 -6.027 15.163 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.262 -5.112 16.087 1.00 0.36 C ATOM 0 H VAL A 17 -3.013 -5.405 12.898 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.289 -3.808 13.605 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.101 -6.122 14.240 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.311 -6.909 15.785 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.647 -6.313 14.246 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.558 -5.299 15.705 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.370 -6.025 16.672 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.714 -4.371 16.669 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.249 -4.721 15.839 1.00 0.36 H new ATOM 261 N ASP A 18 -4.469 -2.236 15.392 1.00 0.31 N ATOM 262 CA ASP A 18 -3.991 -1.073 16.151 1.00 0.36 C ATOM 263 C ASP A 18 -3.537 0.028 15.197 1.00 0.34 C ATOM 264 O ASP A 18 -3.469 1.202 15.563 1.00 0.41 O ATOM 265 CB ASP A 18 -2.870 -1.463 17.124 1.00 0.42 C ATOM 266 CG ASP A 18 -2.427 -0.303 18.001 1.00 0.55 C ATOM 267 OD1 ASP A 18 -3.140 0.027 18.974 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.369 0.290 17.715 1.00 0.59 O ATOM 0 H ASP A 18 -5.482 -2.350 15.410 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.818 -0.691 16.749 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.212 -2.282 17.757 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.015 -1.833 16.558 1.00 0.42 H new ATOM 273 N HIS A 19 -3.229 -0.363 13.964 1.00 0.29 N ATOM 274 CA HIS A 19 -3.032 0.591 12.893 1.00 0.32 C ATOM 275 C HIS A 19 -4.386 1.131 12.477 1.00 0.43 C ATOM 276 O HIS A 19 -4.485 2.181 11.859 1.00 0.63 O ATOM 277 CB HIS A 19 -2.337 -0.042 11.684 1.00 0.29 C ATOM 278 CG HIS A 19 -0.950 -0.530 11.958 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.073 -0.790 10.935 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.348 -0.799 13.137 1.00 0.21 C ATOM 281 CE1 HIS A 19 1.039 -1.208 11.512 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.918 -1.231 12.844 1.00 0.24 N ATOM 0 H HIS A 19 -3.112 -1.338 13.688 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.388 1.392 13.256 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -2.940 -0.878 11.329 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.300 0.690 10.877 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.781 -0.694 14.121 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.932 -1.495 10.977 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.633 -1.516 13.514 1.00 0.24 H new ATOM 290 N GLY A 20 -5.429 0.380 12.819 1.00 0.42 N ATOM 291 CA GLY A 20 -6.780 0.853 12.624 1.00 0.54 C ATOM 292 C GLY A 20 -7.533 0.130 11.536 1.00 0.57 C ATOM 293 O GLY A 20 -7.915 0.739 10.542 1.00 0.79 O ATOM 0 H GLY A 20 -5.357 -0.551 13.229 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.328 0.751 13.560 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -6.751 1.916 12.386 1.00 0.54 H new ATOM 297 N LYS A 21 -7.760 -1.160 11.709 1.00 0.61 N ATOM 298 CA LYS A 21 -8.538 -1.899 10.727 1.00 0.95 C ATOM 299 C LYS A 21 -10.022 -1.503 10.775 1.00 0.89 C ATOM 300 O LYS A 21 -10.587 -1.058 9.777 1.00 1.05 O ATOM 301 CB LYS A 21 -8.362 -3.397 10.957 1.00 1.36 C ATOM 302 CG LYS A 21 -8.592 -4.244 9.711 1.00 1.79 C ATOM 303 CD LYS A 21 -10.070 -4.452 9.406 1.00 2.30 C ATOM 304 CE LYS A 21 -10.699 -5.452 10.367 1.00 2.66 C ATOM 305 NZ LYS A 21 -12.094 -5.802 9.983 1.00 3.31 N ATOM 0 H LYS A 21 -7.426 -1.709 12.501 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.172 -1.648 9.732 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.354 -3.582 11.329 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -9.053 -3.719 11.736 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -8.113 -3.765 8.857 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -8.112 -5.214 9.842 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -10.595 -3.499 9.474 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -10.186 -4.807 8.382 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -10.093 -6.358 10.393 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -10.695 -5.036 11.375 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -12.481 -6.485 10.665 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -12.680 -4.943 9.983 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -12.097 -6.223 9.032 1.00 3.31 H new ATOM 319 N THR A 22 -10.648 -1.652 11.935 1.00 0.84 N ATOM 320 CA THR A 22 -12.082 -1.406 12.067 1.00 0.87 C ATOM 321 C THR A 22 -12.395 0.067 12.348 1.00 0.79 C ATOM 322 O THR A 22 -13.454 0.571 11.970 1.00 0.79 O ATOM 323 CB THR A 22 -12.673 -2.276 13.194 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.297 -3.642 12.994 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.195 -2.169 13.234 1.00 1.18 C ATOM 0 H THR A 22 -10.188 -1.942 12.798 1.00 0.84 H new ATOM 0 HA THR A 22 -12.538 -1.671 11.113 1.00 0.87 H new ATOM 0 HB THR A 22 -12.278 -1.916 14.144 1.00 1.02 H new ATOM 0 HG1 THR A 22 -12.672 -4.193 13.712 1.00 1.21 H new ATOM 0 HG21 THR A 22 -14.583 -2.794 14.039 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.482 -1.132 13.409 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.608 -2.505 12.283 1.00 1.18 H new ATOM 333 N THR A 23 -11.467 0.758 12.993 1.00 0.75 N ATOM 334 CA THR A 23 -11.679 2.141 13.405 1.00 0.75 C ATOM 335 C THR A 23 -11.977 3.064 12.231 1.00 0.67 C ATOM 336 O THR A 23 -12.686 4.047 12.381 1.00 0.66 O ATOM 337 CB THR A 23 -10.458 2.658 14.170 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.304 1.932 13.739 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.643 2.500 15.673 1.00 1.17 C ATOM 0 H THR A 23 -10.553 0.382 13.245 1.00 0.75 H new ATOM 0 HA THR A 23 -12.555 2.146 14.054 1.00 0.75 H new ATOM 0 HB THR A 23 -10.333 3.721 13.962 1.00 0.82 H new ATOM 0 HG1 THR A 23 -9.265 1.931 12.760 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.760 2.876 16.190 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.519 3.065 15.993 1.00 1.17 H new ATOM 0 HG23 THR A 23 -10.783 1.446 15.914 1.00 1.17 H new ATOM 347 N LEU A 24 -11.450 2.741 11.059 1.00 0.65 N ATOM 348 CA LEU A 24 -11.737 3.519 9.857 1.00 0.63 C ATOM 349 C LEU A 24 -13.178 3.334 9.431 1.00 0.64 C ATOM 350 O LEU A 24 -13.841 4.289 9.061 1.00 0.65 O ATOM 351 CB LEU A 24 -10.803 3.121 8.739 1.00 0.67 C ATOM 352 CG LEU A 24 -9.499 3.925 8.651 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.674 3.786 9.922 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.692 3.490 7.439 1.00 1.30 C ATOM 0 H LEU A 24 -10.824 1.949 10.912 1.00 0.65 H new ATOM 0 HA LEU A 24 -11.580 4.573 10.085 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -10.552 2.067 8.856 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -11.335 3.219 7.792 1.00 0.67 H new ATOM 0 HG LEU A 24 -9.760 4.977 8.540 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -7.757 4.368 9.826 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -9.250 4.153 10.771 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -8.423 2.737 10.080 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.770 4.069 7.389 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.451 2.430 7.523 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -9.275 3.659 6.534 1.00 1.30 H new ATOM 366 N LEU A 25 -13.681 2.118 9.528 1.00 0.68 N ATOM 367 CA LEU A 25 -15.065 1.861 9.164 1.00 0.75 C ATOM 368 C LEU A 25 -15.998 2.509 10.180 1.00 0.74 C ATOM 369 O LEU A 25 -17.206 2.611 9.967 1.00 0.82 O ATOM 370 CB LEU A 25 -15.345 0.360 9.088 1.00 0.85 C ATOM 371 CG LEU A 25 -14.386 -0.453 8.213 1.00 0.92 C ATOM 372 CD1 LEU A 25 -14.933 -1.852 8.009 1.00 1.63 C ATOM 373 CD2 LEU A 25 -14.149 0.223 6.871 1.00 1.69 C ATOM 0 H LEU A 25 -13.162 1.301 9.851 1.00 0.68 H new ATOM 0 HA LEU A 25 -15.243 2.292 8.179 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -15.318 -0.047 10.099 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -16.359 0.217 8.713 1.00 0.85 H new ATOM 0 HG LEU A 25 -13.427 -0.513 8.727 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -14.246 -2.424 7.386 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -15.042 -2.344 8.975 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -15.905 -1.795 7.519 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -13.464 -0.381 6.275 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.097 0.324 6.342 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -13.716 1.210 7.032 1.00 1.69 H new ATOM 385 N ASP A 26 -15.416 2.952 11.285 1.00 0.71 N ATOM 386 CA ASP A 26 -16.154 3.628 12.339 1.00 0.75 C ATOM 387 C ASP A 26 -16.031 5.125 12.145 1.00 0.70 C ATOM 388 O ASP A 26 -17.002 5.880 12.242 1.00 0.76 O ATOM 389 CB ASP A 26 -15.571 3.241 13.687 1.00 0.81 C ATOM 390 CG ASP A 26 -16.399 3.714 14.866 1.00 1.01 C ATOM 391 OD1 ASP A 26 -16.201 4.864 15.308 1.00 1.23 O ATOM 392 OD2 ASP A 26 -17.274 2.959 15.332 1.00 1.13 O ATOM 0 H ASP A 26 -14.419 2.852 11.475 1.00 0.71 H new ATOM 0 HA ASP A 26 -17.204 3.338 12.302 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.475 2.156 13.734 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.566 3.654 13.771 1.00 0.81 H new ATOM 397 N ALA A 27 -14.816 5.527 11.833 1.00 0.63 N ATOM 398 CA ALA A 27 -14.474 6.930 11.685 1.00 0.61 C ATOM 399 C ALA A 27 -14.997 7.491 10.371 1.00 0.58 C ATOM 400 O ALA A 27 -15.669 8.521 10.342 1.00 0.62 O ATOM 401 CB ALA A 27 -12.967 7.077 11.753 1.00 0.61 C ATOM 0 H ALA A 27 -14.035 4.890 11.674 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.941 7.494 12.492 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.699 8.128 11.643 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -12.609 6.710 12.715 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -12.508 6.499 10.950 1.00 0.61 H new ATOM 407 N ILE A 28 -14.697 6.786 9.290 1.00 0.56 N ATOM 408 CA ILE A 28 -15.009 7.239 7.943 1.00 0.57 C ATOM 409 C ILE A 28 -16.518 7.397 7.734 1.00 0.64 C ATOM 410 O ILE A 28 -16.954 8.271 6.985 1.00 0.71 O ATOM 411 CB ILE A 28 -14.427 6.267 6.896 1.00 0.61 C ATOM 412 CG1 ILE A 28 -12.900 6.218 7.005 1.00 0.84 C ATOM 413 CG2 ILE A 28 -14.832 6.665 5.493 1.00 1.02 C ATOM 414 CD1 ILE A 28 -12.265 5.183 6.103 1.00 0.85 C ATOM 0 H ILE A 28 -14.229 5.880 9.323 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.549 8.219 7.814 1.00 0.57 H new ATOM 0 HB ILE A 28 -14.832 5.276 7.100 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -12.494 7.200 6.761 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -12.624 6.007 8.038 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.406 5.961 4.778 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.919 6.653 5.411 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -14.463 7.668 5.278 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -11.183 5.203 6.232 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.643 4.194 6.362 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -12.511 5.405 5.065 1.00 0.85 H new ATOM 1221 N ILE A 81 -10.603 -2.947 -5.481 1.00 0.63 N ATOM 1222 CA ILE A 81 -9.353 -2.537 -4.866 1.00 0.42 C ATOM 1223 C ILE A 81 -9.291 -2.979 -3.411 1.00 0.38 C ATOM 1224 O ILE A 81 -10.326 -3.180 -2.773 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.216 -1.002 -4.904 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.749 -0.433 -6.221 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -7.766 -0.603 -4.719 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.850 1.077 -6.221 1.00 0.71 C ATOM 0 HA ILE A 81 -8.544 -3.005 -5.428 1.00 0.42 H new ATOM 0 HB ILE A 81 -9.810 -0.590 -4.088 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -9.096 -0.747 -7.035 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.733 -0.856 -6.420 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -7.681 0.483 -4.748 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.408 -0.970 -3.757 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.165 -1.035 -5.519 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -10.234 1.416 -7.183 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.526 1.396 -5.428 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -8.863 1.508 -6.052 1.00 0.71 H new ATOM 1240 N VAL A 82 -8.086 -3.120 -2.876 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.943 -3.370 -1.453 1.00 0.28 C ATOM 1242 C VAL A 82 -7.062 -2.307 -0.827 1.00 0.23 C ATOM 1243 O VAL A 82 -6.009 -1.951 -1.355 1.00 0.26 O ATOM 1244 CB VAL A 82 -7.364 -4.758 -1.141 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -6.081 -4.952 -1.895 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.135 -4.926 0.362 1.00 1.17 C ATOM 0 H VAL A 82 -7.210 -3.067 -3.396 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.946 -3.335 -1.028 1.00 0.28 H new ATOM 0 HB VAL A 82 -8.080 -5.516 -1.457 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.673 -5.938 -1.671 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -6.272 -4.873 -2.965 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -5.364 -4.187 -1.597 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.725 -5.916 0.559 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.434 -4.167 0.710 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -8.083 -4.814 0.889 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.517 -1.798 0.286 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.769 -0.846 1.063 1.00 0.19 C ATOM 1258 C ILE A 83 -5.925 -1.566 2.072 1.00 0.19 C ATOM 1259 O ILE A 83 -6.386 -2.487 2.744 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.683 0.161 1.785 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.323 1.054 0.744 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -6.904 0.988 2.811 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.070 2.238 1.319 1.00 0.37 C ATOM 0 H ILE A 83 -8.426 -2.035 0.683 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.137 -0.286 0.373 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.453 -0.379 2.336 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.549 1.420 0.069 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -9.013 0.459 0.145 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.579 1.689 3.302 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.465 0.324 3.556 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.112 1.541 2.307 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.498 2.827 0.508 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.868 1.883 1.971 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.382 2.858 1.893 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.693 -1.149 2.165 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.789 -1.728 3.104 1.00 0.23 C ATOM 1277 C LEU A 84 -3.384 -0.647 4.103 1.00 0.24 C ATOM 1278 O LEU A 84 -2.634 0.274 3.777 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.598 -2.344 2.355 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.468 -2.920 3.211 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.538 -1.811 3.636 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.007 -3.669 4.426 1.00 1.01 C ATOM 0 H LEU A 84 -4.295 -0.403 1.594 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.253 -2.540 3.664 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.976 -3.139 1.711 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.175 -1.580 1.703 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.916 -3.641 2.608 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.266 -2.224 4.246 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.115 -1.333 2.753 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.092 -1.074 4.217 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.175 -4.063 5.009 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.592 -2.987 5.044 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.640 -4.492 4.095 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.938 -0.733 5.295 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.705 0.251 6.336 1.00 0.27 C ATOM 1296 C VAL A 85 -2.448 -0.073 7.127 1.00 0.25 C ATOM 1297 O VAL A 85 -2.384 -1.078 7.838 1.00 0.29 O ATOM 1298 CB VAL A 85 -4.909 0.319 7.295 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.646 1.304 8.413 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.181 0.692 6.541 1.00 0.40 C ATOM 0 H VAL A 85 -4.565 -1.489 5.571 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.574 1.218 5.850 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.050 -0.669 7.734 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.508 1.337 9.079 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.766 0.991 8.974 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.474 2.295 7.992 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.018 0.734 7.238 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.052 1.666 6.070 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.383 -0.057 5.776 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.443 0.771 6.978 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.224 0.653 7.742 1.00 0.20 C ATOM 1312 C VAL A 86 0.058 1.933 8.505 1.00 0.17 C ATOM 1313 O VAL A 86 0.228 3.002 7.923 1.00 0.22 O ATOM 1314 CB VAL A 86 0.987 0.319 6.853 1.00 0.23 C ATOM 1315 CG1 VAL A 86 1.027 -1.166 6.560 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.954 1.126 5.560 1.00 0.64 C ATOM 0 H VAL A 86 -1.453 1.554 6.325 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.373 -0.169 8.442 1.00 0.20 H new ATOM 0 HB VAL A 86 1.895 0.591 7.392 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.888 -1.390 5.930 1.00 0.49 H new ATOM 0 HG12 VAL A 86 1.108 -1.719 7.496 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.113 -1.460 6.043 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.821 0.871 4.950 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.042 0.894 5.010 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.976 2.190 5.795 1.00 0.64 H new ATOM 1326 N ALA A 87 0.088 1.825 9.816 1.00 0.17 N ATOM 1327 CA ALA A 87 0.446 2.948 10.651 1.00 0.18 C ATOM 1328 C ALA A 87 1.927 3.247 10.480 1.00 0.16 C ATOM 1329 O ALA A 87 2.759 2.343 10.566 1.00 0.24 O ATOM 1330 CB ALA A 87 0.103 2.652 12.095 1.00 0.28 C ATOM 0 H ALA A 87 -0.132 0.969 10.326 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.121 3.829 10.352 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.377 3.505 12.716 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.967 2.467 12.184 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.652 1.771 12.426 1.00 0.28 H new ATOM 1336 N ALA A 88 2.259 4.511 10.245 1.00 0.12 N ATOM 1337 CA ALA A 88 3.621 4.883 9.873 1.00 0.14 C ATOM 1338 C ALA A 88 4.554 4.817 11.055 1.00 0.16 C ATOM 1339 O ALA A 88 5.764 4.987 10.918 1.00 0.22 O ATOM 1340 CB ALA A 88 3.653 6.281 9.283 1.00 0.17 C ATOM 0 H ALA A 88 1.608 5.294 10.305 1.00 0.12 H new ATOM 0 HA ALA A 88 3.958 4.166 9.124 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.677 6.538 9.013 1.00 0.17 H new ATOM 0 HB2 ALA A 88 3.023 6.315 8.394 1.00 0.17 H new ATOM 0 HB3 ALA A 88 3.282 6.995 10.018 1.00 0.17 H new ATOM 1346 N ASP A 89 3.992 4.588 12.214 1.00 0.16 N ATOM 1347 CA ASP A 89 4.795 4.479 13.417 1.00 0.21 C ATOM 1348 C ASP A 89 5.217 3.032 13.660 1.00 0.22 C ATOM 1349 O ASP A 89 6.071 2.762 14.505 1.00 0.37 O ATOM 1350 CB ASP A 89 4.028 5.016 14.626 1.00 0.30 C ATOM 1351 CG ASP A 89 2.959 4.056 15.104 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.178 3.572 14.265 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.888 3.794 16.323 1.00 0.58 O ATOM 0 H ASP A 89 2.988 4.473 12.356 1.00 0.16 H new ATOM 0 HA ASP A 89 5.693 5.080 13.278 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.727 5.211 15.439 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.567 5.969 14.366 1.00 0.30 H new ATOM 1358 N ASP A 90 4.639 2.109 12.897 1.00 0.19 N ATOM 1359 CA ASP A 90 4.879 0.681 13.109 1.00 0.23 C ATOM 1360 C ASP A 90 5.286 -0.021 11.809 1.00 0.25 C ATOM 1361 O ASP A 90 6.305 -0.716 11.767 1.00 0.42 O ATOM 1362 CB ASP A 90 3.636 0.032 13.704 1.00 0.26 C ATOM 1363 CG ASP A 90 3.910 -1.343 14.268 1.00 0.36 C ATOM 1364 OD1 ASP A 90 5.031 -1.568 14.764 1.00 0.56 O ATOM 1365 OD2 ASP A 90 3.017 -2.210 14.186 1.00 0.46 O ATOM 0 H ASP A 90 4.003 2.321 12.128 1.00 0.19 H new ATOM 0 HA ASP A 90 5.708 0.575 13.808 1.00 0.23 H new ATOM 0 HB2 ASP A 90 3.239 0.671 14.493 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.866 -0.042 12.936 1.00 0.26 H new ATOM 1370 N GLY A 91 4.496 0.158 10.750 1.00 0.20 N ATOM 1371 CA GLY A 91 4.866 -0.387 9.450 1.00 0.21 C ATOM 1372 C GLY A 91 4.145 -1.679 9.100 1.00 0.22 C ATOM 1373 O GLY A 91 2.931 -1.785 9.259 1.00 0.37 O ATOM 0 H GLY A 91 3.612 0.667 10.767 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.655 0.356 8.681 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.941 -0.566 9.434 1.00 0.21 H new ATOM 1377 N VAL A 92 4.904 -2.650 8.615 1.00 0.26 N ATOM 1378 CA VAL A 92 4.357 -3.935 8.181 1.00 0.26 C ATOM 1379 C VAL A 92 4.524 -4.978 9.270 1.00 0.24 C ATOM 1380 O VAL A 92 5.589 -5.112 9.877 1.00 0.28 O ATOM 1381 CB VAL A 92 5.043 -4.412 6.885 1.00 0.32 C ATOM 1382 CG1 VAL A 92 4.784 -5.890 6.624 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.557 -3.585 5.716 1.00 1.03 C ATOM 0 H VAL A 92 5.916 -2.574 8.510 1.00 0.26 H new ATOM 0 HA VAL A 92 3.294 -3.800 7.982 1.00 0.26 H new ATOM 0 HB VAL A 92 6.118 -4.281 7.004 1.00 0.32 H new ATOM 0 HG11 VAL A 92 5.283 -6.190 5.702 1.00 0.96 H new ATOM 0 HG12 VAL A 92 5.172 -6.480 7.455 1.00 0.96 H new ATOM 0 HG13 VAL A 92 3.712 -6.060 6.528 1.00 0.96 H new ATOM 0 HG21 VAL A 92 5.044 -3.925 4.802 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.477 -3.697 5.615 1.00 1.03 H new ATOM 0 HG23 VAL A 92 4.799 -2.536 5.887 1.00 1.03 H new ATOM 1393 N MET A 93 3.455 -5.708 9.500 1.00 0.22 N ATOM 1394 CA MET A 93 3.361 -6.644 10.605 1.00 0.22 C ATOM 1395 C MET A 93 2.666 -7.929 10.120 1.00 0.22 C ATOM 1396 O MET A 93 2.328 -8.022 8.938 1.00 0.23 O ATOM 1397 CB MET A 93 2.587 -5.964 11.736 1.00 0.21 C ATOM 1398 CG MET A 93 3.207 -4.650 12.180 1.00 0.23 C ATOM 1399 SD MET A 93 4.715 -4.888 13.132 1.00 0.28 S ATOM 1400 CE MET A 93 4.000 -5.332 14.706 1.00 0.27 C ATOM 0 H MET A 93 2.616 -5.670 8.921 1.00 0.22 H new ATOM 0 HA MET A 93 4.346 -6.925 10.977 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.563 -5.783 11.409 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.534 -6.640 12.589 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.427 -4.041 11.303 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.486 -4.096 12.780 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.326 -4.622 15.467 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.913 -5.310 14.631 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.324 -6.335 14.983 1.00 0.27 H new ATOM 1410 N PRO A 94 2.449 -8.936 11.000 1.00 0.25 N ATOM 1411 CA PRO A 94 1.858 -10.233 10.616 1.00 0.30 C ATOM 1412 C PRO A 94 0.604 -10.130 9.739 1.00 0.28 C ATOM 1413 O PRO A 94 0.643 -10.493 8.562 1.00 0.31 O ATOM 1414 CB PRO A 94 1.511 -10.895 11.961 1.00 0.37 C ATOM 1415 CG PRO A 94 1.779 -9.864 13.011 1.00 0.58 C ATOM 1416 CD PRO A 94 2.787 -8.923 12.431 1.00 0.30 C ATOM 0 HA PRO A 94 2.560 -10.796 10.002 1.00 0.30 H new ATOM 0 HB2 PRO A 94 0.468 -11.211 11.982 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.118 -11.786 12.125 1.00 0.37 H new ATOM 0 HG2 PRO A 94 0.864 -9.336 13.279 1.00 0.58 H new ATOM 0 HG3 PRO A 94 2.159 -10.327 13.922 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.703 -7.924 12.859 1.00 0.30 H new ATOM 0 HD3 PRO A 94 3.808 -9.261 12.610 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.503 -9.640 10.291 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.752 -9.603 9.539 1.00 0.32 C ATOM 1426 C GLN A 95 -1.687 -8.567 8.422 1.00 0.31 C ATOM 1427 O GLN A 95 -2.480 -8.593 7.480 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.955 -9.338 10.447 1.00 0.37 C ATOM 1429 CG GLN A 95 -3.106 -7.904 10.918 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.457 -7.662 11.576 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.530 -7.781 12.894 1.00 0.75 O flip ATOM 1432 NE2 GLN A 95 -5.435 -7.345 10.903 1.00 0.34 N flip ATOM 0 H GLN A 95 -0.561 -9.269 11.240 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.886 -10.588 9.091 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.862 -9.626 9.915 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.879 -9.985 11.321 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.310 -7.668 11.625 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.989 -7.229 10.070 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -5.351 -7.260 9.890 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -6.331 -7.166 11.357 1.00 0.34 H new ATOM 1441 N THR A 96 -0.716 -7.676 8.524 1.00 0.26 N ATOM 1442 CA THR A 96 -0.488 -6.667 7.510 1.00 0.25 C ATOM 1443 C THR A 96 -0.034 -7.334 6.225 1.00 0.25 C ATOM 1444 O THR A 96 -0.574 -7.081 5.147 1.00 0.31 O ATOM 1445 CB THR A 96 0.579 -5.674 7.961 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.674 -5.706 9.382 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.233 -4.269 7.513 1.00 0.28 C ATOM 0 H THR A 96 -0.067 -7.633 9.310 1.00 0.26 H new ATOM 0 HA THR A 96 -1.421 -6.129 7.345 1.00 0.25 H new ATOM 0 HB THR A 96 1.531 -5.955 7.512 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.100 -4.883 9.700 1.00 0.24 H new ATOM 0 HG21 THR A 96 1.009 -3.579 7.846 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.165 -4.240 6.426 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.724 -3.975 7.944 1.00 0.28 H new ATOM 1455 N VAL A 97 0.951 -8.214 6.347 1.00 0.25 N ATOM 1456 CA VAL A 97 1.465 -8.907 5.203 1.00 0.31 C ATOM 1457 C VAL A 97 0.550 -10.047 4.751 1.00 0.23 C ATOM 1458 O VAL A 97 0.562 -10.416 3.584 1.00 0.24 O ATOM 1459 CB VAL A 97 2.905 -9.404 5.431 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.047 -10.187 6.718 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.340 -10.251 4.270 1.00 1.38 C ATOM 0 H VAL A 97 1.401 -8.455 7.230 1.00 0.25 H new ATOM 0 HA VAL A 97 1.492 -8.179 4.392 1.00 0.31 H new ATOM 0 HB VAL A 97 3.544 -8.525 5.513 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.080 -10.515 6.832 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.772 -9.554 7.561 1.00 1.02 H new ATOM 0 HG13 VAL A 97 2.391 -11.057 6.689 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.359 -10.600 4.436 1.00 1.38 H new ATOM 0 HG22 VAL A 97 2.674 -11.108 4.175 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.303 -9.660 3.355 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.262 -10.594 5.646 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.273 -11.571 5.231 1.00 0.29 C ATOM 1473 C GLU A 98 -2.228 -10.923 4.236 1.00 0.31 C ATOM 1474 O GLU A 98 -2.674 -11.557 3.276 1.00 0.37 O ATOM 1475 CB GLU A 98 -2.050 -12.099 6.439 1.00 0.39 C ATOM 1476 CG GLU A 98 -1.212 -12.946 7.381 1.00 0.92 C ATOM 1477 CD GLU A 98 -2.007 -13.449 8.571 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -2.834 -14.370 8.397 1.00 1.97 O ATOM 1479 OE2 GLU A 98 -1.808 -12.926 9.685 1.00 2.35 O ATOM 0 H GLU A 98 -0.247 -10.387 6.645 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.771 -12.414 4.757 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.462 -11.255 6.992 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.894 -12.691 6.086 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -0.804 -13.796 6.835 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -0.365 -12.359 7.736 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.508 -9.644 4.453 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.312 -8.866 3.523 1.00 0.35 C ATOM 1488 C ALA A 99 -2.530 -8.586 2.239 1.00 0.34 C ATOM 1489 O ALA A 99 -3.119 -8.389 1.175 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.758 -7.567 4.170 1.00 0.39 C ATOM 0 H ALA A 99 -2.188 -9.123 5.269 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.198 -9.446 3.263 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.359 -6.995 3.462 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.353 -7.787 5.056 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.883 -6.984 4.457 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.204 -8.576 2.334 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.362 -8.435 1.162 1.00 0.29 C ATOM 1498 C ILE A 100 -0.348 -9.751 0.394 1.00 0.29 C ATOM 1499 O ILE A 100 -0.492 -9.776 -0.828 1.00 0.34 O ATOM 1500 CB ILE A 100 1.074 -8.067 1.570 1.00 0.32 C ATOM 1501 CG1 ILE A 100 1.091 -6.732 2.321 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.961 -8.015 0.348 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.438 -6.389 2.918 1.00 0.41 C ATOM 0 H ILE A 100 -0.694 -8.664 3.213 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.762 -7.639 0.534 1.00 0.29 H new ATOM 0 HB ILE A 100 1.460 -8.834 2.242 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.793 -5.937 1.638 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.348 -6.763 3.117 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.976 -7.754 0.646 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.966 -8.990 -0.140 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.582 -7.264 -0.345 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.374 -5.431 3.434 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.730 -7.164 3.627 1.00 0.41 H new ATOM 0 HD13 ILE A 100 3.182 -6.324 2.124 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.188 -10.837 1.140 1.00 0.29 N ATOM 1516 CA ASN A 101 -0.221 -12.191 0.603 1.00 0.34 C ATOM 1517 C ASN A 101 -1.469 -12.399 -0.235 1.00 0.36 C ATOM 1518 O ASN A 101 -1.401 -12.864 -1.369 1.00 0.43 O ATOM 1519 CB ASN A 101 -0.186 -13.197 1.766 1.00 0.44 C ATOM 1520 CG ASN A 101 1.179 -13.341 2.393 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.199 -13.048 1.776 1.00 0.67 O ATOM 1522 ND2 ASN A 101 1.203 -13.830 3.619 1.00 0.64 N ATOM 0 H ASN A 101 -0.030 -10.801 2.147 1.00 0.29 H new ATOM 0 HA ASN A 101 0.648 -12.346 -0.037 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.897 -12.883 2.530 1.00 0.44 H new ATOM 0 HB3 ASN A 101 -0.516 -14.171 1.404 1.00 0.44 H new ATOM 0 HD21 ASN A 101 2.095 -13.978 4.092 1.00 0.64 H new ATOM 0 HD22 ASN A 101 0.330 -14.059 4.094 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.600 -12.025 0.346 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.872 -11.969 -0.344 1.00 0.43 C ATOM 1531 C HIS A 102 -3.718 -11.302 -1.707 1.00 0.37 C ATOM 1532 O HIS A 102 -4.049 -11.864 -2.753 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.830 -11.162 0.553 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.640 -10.110 -0.144 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -5.520 -8.766 0.124 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.550 -10.213 -1.121 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -6.330 -8.091 -0.661 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -6.969 -8.944 -1.426 1.00 1.91 N ATOM 0 H HIS A 102 -2.656 -11.748 1.326 1.00 0.35 H new ATOM 0 HA HIS A 102 -4.261 -12.971 -0.523 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -5.513 -11.857 1.041 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.246 -10.684 1.339 1.00 0.61 H new ATOM 0 HD1 HIS A 102 -4.899 -8.357 0.823 1.00 2.07 H new ATOM 0 HD2 HIS A 102 -6.891 -11.127 -1.583 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -6.449 -7.018 -0.674 1.00 2.50 H new ATOM 1547 N ALA A 103 -3.214 -10.093 -1.662 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.180 -9.222 -2.818 1.00 0.41 C ATOM 1549 C ALA A 103 -2.214 -9.698 -3.895 1.00 0.40 C ATOM 1550 O ALA A 103 -2.581 -9.752 -5.065 1.00 0.44 O ATOM 1551 CB ALA A 103 -2.824 -7.815 -2.389 1.00 0.47 C ATOM 0 H ALA A 103 -2.813 -9.681 -0.820 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.176 -9.240 -3.259 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -2.800 -7.163 -3.262 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.571 -7.449 -1.684 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -1.845 -7.817 -1.911 1.00 0.47 H new ATOM 1557 N LYS A 104 -0.990 -10.046 -3.510 1.00 0.41 N ATOM 1558 CA LYS A 104 0.041 -10.369 -4.491 1.00 0.49 C ATOM 1559 C LYS A 104 -0.241 -11.703 -5.140 1.00 0.54 C ATOM 1560 O LYS A 104 0.025 -11.899 -6.326 1.00 0.66 O ATOM 1561 CB LYS A 104 1.415 -10.404 -3.836 1.00 0.61 C ATOM 1562 CG LYS A 104 1.687 -9.207 -2.953 1.00 0.70 C ATOM 1563 CD LYS A 104 1.478 -7.884 -3.689 1.00 0.84 C ATOM 1564 CE LYS A 104 2.324 -7.781 -4.952 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.775 -7.763 -4.652 1.00 1.66 N ATOM 0 H LYS A 104 -0.690 -10.111 -2.537 1.00 0.41 H new ATOM 0 HA LYS A 104 0.031 -9.591 -5.255 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.503 -11.313 -3.241 1.00 0.61 H new ATOM 0 HB3 LYS A 104 2.179 -10.455 -4.612 1.00 0.61 H new ATOM 0 HG2 LYS A 104 1.031 -9.244 -2.083 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.711 -9.257 -2.583 1.00 0.70 H new ATOM 0 HD2 LYS A 104 0.425 -7.780 -3.951 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.724 -7.058 -3.022 1.00 0.84 H new ATOM 0 HE2 LYS A 104 2.100 -8.623 -5.607 1.00 0.99 H new ATOM 0 HE3 LYS A 104 2.055 -6.875 -5.495 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 4.307 -7.557 -5.522 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.974 -7.029 -3.942 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 4.064 -8.691 -4.281 1.00 1.66 H new ATOM 1579 N ALA A 105 -0.776 -12.615 -4.350 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.169 -13.926 -4.853 1.00 0.61 C ATOM 1581 C ALA A 105 -2.205 -13.796 -5.971 1.00 0.62 C ATOM 1582 O ALA A 105 -2.187 -14.562 -6.938 1.00 0.77 O ATOM 1583 CB ALA A 105 -1.713 -14.796 -3.731 1.00 0.65 C ATOM 0 H ALA A 105 -0.950 -12.475 -3.355 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.279 -14.405 -5.262 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -1.999 -15.769 -4.131 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -0.945 -14.929 -2.969 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -2.585 -14.315 -3.288 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.098 -12.819 -5.834 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.144 -12.604 -6.831 1.00 0.64 C ATOM 1591 C ALA A 106 -3.717 -11.601 -7.907 1.00 0.64 C ATOM 1592 O ALA A 106 -4.243 -11.617 -9.022 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.429 -12.142 -6.163 1.00 0.68 C ATOM 0 H ALA A 106 -3.119 -12.168 -5.049 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.320 -13.560 -7.325 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.197 -11.987 -6.920 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -5.765 -12.901 -5.456 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.248 -11.207 -5.633 1.00 0.68 H new ATOM 1599 N ASN A 107 -2.782 -10.718 -7.542 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.214 -9.710 -8.447 1.00 0.65 C ATOM 1601 C ASN A 107 -3.156 -8.531 -8.556 1.00 0.60 C ATOM 1602 O ASN A 107 -3.398 -7.989 -9.634 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.874 -10.273 -9.828 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.495 -10.878 -9.881 1.00 1.04 C ATOM 1605 OD1 ASN A 107 0.390 -10.515 -9.107 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.292 -11.783 -10.819 1.00 1.41 N ATOM 0 H ASN A 107 -2.393 -10.682 -6.600 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.269 -9.380 -8.016 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -2.610 -11.030 -10.099 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -1.947 -9.477 -10.569 1.00 0.85 H new ATOM 0 HD21 ASN A 107 0.628 -12.211 -10.924 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -1.055 -12.054 -11.439 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.676 -8.149 -7.406 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.655 -7.092 -7.291 1.00 0.42 C ATOM 1615 C VAL A 108 -4.000 -5.760 -6.921 1.00 0.37 C ATOM 1616 O VAL A 108 -3.051 -5.723 -6.136 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.691 -7.473 -6.219 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -6.356 -6.239 -5.649 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.729 -8.423 -6.799 1.00 1.35 C ATOM 0 H VAL A 108 -3.425 -8.572 -6.513 1.00 0.44 H new ATOM 0 HA VAL A 108 -5.142 -6.970 -8.259 1.00 0.42 H new ATOM 0 HB VAL A 108 -5.172 -7.982 -5.407 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -7.084 -6.534 -4.893 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -5.602 -5.596 -5.195 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -6.862 -5.696 -6.448 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.455 -8.683 -6.029 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -7.241 -7.939 -7.631 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.236 -9.328 -7.154 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.501 -4.651 -7.500 1.00 0.35 N ATOM 1630 CA PRO A 109 -4.036 -3.303 -7.171 1.00 0.33 C ATOM 1631 C PRO A 109 -4.368 -2.893 -5.738 1.00 0.28 C ATOM 1632 O PRO A 109 -5.449 -3.203 -5.210 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.786 -2.397 -8.152 1.00 0.37 C ATOM 1634 CG PRO A 109 -5.314 -3.309 -9.210 1.00 0.47 C ATOM 1635 CD PRO A 109 -5.544 -4.628 -8.534 1.00 0.40 C ATOM 0 HA PRO A 109 -2.951 -3.238 -7.248 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.595 -1.863 -7.654 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -4.122 -1.644 -8.578 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -6.240 -2.921 -9.635 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -4.604 -3.409 -10.031 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -6.543 -4.692 -8.102 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -5.443 -5.462 -9.229 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.449 -2.173 -5.113 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.609 -1.818 -3.719 1.00 0.21 C ATOM 1645 C ILE A 110 -3.906 -0.329 -3.557 1.00 0.19 C ATOM 1646 O ILE A 110 -3.623 0.491 -4.437 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.320 -2.157 -2.925 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.912 -3.619 -3.112 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.479 -1.853 -1.444 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.763 -4.581 -2.320 1.00 0.60 C ATOM 0 H ILE A 110 -2.593 -1.828 -5.548 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.449 -2.393 -3.331 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.530 -1.522 -3.327 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.975 -3.874 -4.170 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -0.870 -3.739 -2.817 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.556 -2.103 -0.920 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.696 -0.793 -1.311 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.299 -2.445 -1.037 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.421 -5.601 -2.498 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -2.680 -4.350 -1.258 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.803 -4.488 -2.632 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.481 -0.012 -2.418 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.604 1.346 -1.932 1.00 0.18 C ATOM 1664 C ILE A 111 -4.006 1.374 -0.543 1.00 0.16 C ATOM 1665 O ILE A 111 -4.699 1.170 0.454 1.00 0.18 O ATOM 1666 CB ILE A 111 -6.066 1.852 -1.873 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.630 2.042 -3.273 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.154 3.171 -1.110 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.980 3.175 -4.026 1.00 0.37 C ATOM 0 H ILE A 111 -4.885 -0.706 -1.789 1.00 0.18 H new ATOM 0 HA ILE A 111 -4.086 2.008 -2.625 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.654 1.097 -1.351 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.502 1.118 -3.838 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.702 2.228 -3.204 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.191 3.507 -1.082 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.791 3.027 -0.092 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.543 3.922 -1.610 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.427 3.257 -5.017 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -6.130 4.107 -3.481 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.912 2.981 -4.125 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.709 1.543 -0.469 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.060 1.599 0.805 1.00 0.18 C ATOM 1683 C VAL A 112 -2.407 2.887 1.476 1.00 0.20 C ATOM 1684 O VAL A 112 -2.521 3.934 0.844 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.543 1.493 0.708 1.00 0.19 C ATOM 1686 CG1 VAL A 112 0.079 1.512 2.077 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.152 0.233 -0.007 1.00 0.19 C ATOM 0 H VAL A 112 -2.090 1.643 -1.274 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.412 0.742 1.379 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.179 2.352 0.144 1.00 0.19 H new ATOM 0 HG11 VAL A 112 1.162 1.435 1.985 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.178 2.444 2.580 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.296 0.670 2.659 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.935 0.172 -0.068 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.534 -0.629 0.540 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.572 0.240 -1.013 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.559 2.800 2.747 1.00 0.21 N ATOM 1698 CA ALA A 113 -2.948 3.936 3.522 1.00 0.24 C ATOM 1699 C ALA A 113 -2.207 3.961 4.830 1.00 0.25 C ATOM 1700 O ALA A 113 -2.478 3.191 5.749 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.448 3.946 3.714 1.00 0.29 C ATOM 0 H ALA A 113 -2.419 1.945 3.285 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.680 4.846 2.986 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.733 4.816 4.306 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -4.939 3.992 2.742 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -4.754 3.038 4.233 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.232 4.837 4.864 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.472 5.085 6.048 1.00 0.27 C ATOM 1709 C ILE A 114 -1.352 5.804 7.045 1.00 0.30 C ATOM 1710 O ILE A 114 -2.046 6.741 6.693 1.00 0.50 O ATOM 1711 CB ILE A 114 0.781 5.930 5.723 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.815 5.083 4.971 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.382 6.519 6.983 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.551 4.949 3.483 1.00 0.59 C ATOM 0 H ILE A 114 -0.948 5.398 4.061 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.134 4.139 6.471 1.00 0.27 H new ATOM 0 HB ILE A 114 0.478 6.757 5.081 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.802 5.524 5.115 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.843 4.087 5.414 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.262 7.109 6.725 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.647 7.159 7.472 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.670 5.714 7.659 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.329 4.335 3.029 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.580 4.479 3.327 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.554 5.937 3.023 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.344 5.346 8.271 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.154 5.936 9.319 1.00 0.22 C ATOM 1728 C ASN A 115 -1.230 6.389 10.393 1.00 0.20 C ATOM 1729 O ASN A 115 -0.031 6.099 10.343 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.158 4.915 9.848 1.00 0.33 C ATOM 1731 CG ASN A 115 -4.120 5.541 10.821 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -4.446 6.725 10.713 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.564 4.768 11.782 1.00 0.56 N ATOM 0 H ASN A 115 -0.778 4.554 8.576 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.727 6.782 8.940 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -3.712 4.482 9.015 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -2.626 4.098 10.335 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -5.207 5.141 12.480 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.267 3.794 11.831 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.767 7.137 11.327 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.001 7.609 12.431 1.00 0.20 C ATOM 1742 C LYS A 116 -0.026 8.694 11.992 1.00 0.21 C ATOM 1743 O LYS A 116 1.075 8.819 12.524 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.327 6.410 13.104 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.285 5.630 13.988 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.582 4.585 14.842 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.574 3.739 15.632 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.896 2.672 16.422 1.00 0.59 N ATOM 0 H LYS A 116 -2.744 7.429 11.334 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.644 8.086 13.171 1.00 0.20 H new ATOM 0 HB2 LYS A 116 0.079 5.748 12.339 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.514 6.758 13.703 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.819 6.324 14.637 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.031 5.140 13.363 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.019 3.938 14.203 1.00 0.40 H new ATOM 0 HD3 LYS A 116 0.103 5.079 15.531 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.143 4.381 16.304 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.288 3.283 14.946 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.565 1.897 16.605 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.083 2.307 15.886 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.567 3.066 17.326 1.00 0.59 H new ATOM 1762 N MET A 117 -0.465 9.489 11.009 1.00 0.21 N ATOM 1763 CA MET A 117 0.219 10.731 10.653 1.00 0.28 C ATOM 1764 C MET A 117 -0.068 11.778 11.709 1.00 0.29 C ATOM 1765 O MET A 117 0.511 12.862 11.719 1.00 0.37 O ATOM 1766 CB MET A 117 -0.247 11.233 9.289 1.00 0.38 C ATOM 1767 CG MET A 117 0.431 10.533 8.135 1.00 0.48 C ATOM 1768 SD MET A 117 2.083 11.154 7.842 1.00 0.77 S ATOM 1769 CE MET A 117 2.940 9.598 7.860 1.00 0.92 C ATOM 0 H MET A 117 -1.293 9.291 10.447 1.00 0.21 H new ATOM 0 HA MET A 117 1.291 10.541 10.601 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.325 11.095 9.207 1.00 0.38 H new ATOM 0 HB3 MET A 117 -0.057 12.304 9.219 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.478 9.463 8.339 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.168 10.660 7.233 1.00 0.48 H new ATOM 0 HE1 MET A 117 4.007 9.772 7.996 1.00 0.92 H new ATOM 0 HE2 MET A 117 2.565 8.985 8.680 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.774 9.080 6.915 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.007 11.440 12.577 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.302 12.253 13.753 1.00 0.34 C ATOM 1781 C ASP A 118 -0.193 12.109 14.778 1.00 0.33 C ATOM 1782 O ASP A 118 -0.024 12.954 15.657 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.633 11.835 14.376 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.734 10.341 14.578 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.867 9.614 13.568 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.721 9.890 15.741 1.00 0.76 O ATOM 0 H ASP A 118 -1.583 10.603 12.491 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.372 13.295 13.440 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.755 12.337 15.336 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.450 12.168 13.736 1.00 0.39 H new ATOM 1791 N LYS A 119 0.550 11.028 14.660 1.00 0.23 N ATOM 1792 CA LYS A 119 1.667 10.762 15.536 1.00 0.26 C ATOM 1793 C LYS A 119 2.950 11.333 14.944 1.00 0.28 C ATOM 1794 O LYS A 119 3.210 11.178 13.758 1.00 0.26 O ATOM 1795 CB LYS A 119 1.817 9.256 15.726 1.00 0.29 C ATOM 1796 CG LYS A 119 0.599 8.600 16.353 1.00 0.36 C ATOM 1797 CD LYS A 119 0.826 7.118 16.599 1.00 0.72 C ATOM 1798 CE LYS A 119 2.029 6.863 17.491 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.855 7.440 18.850 1.00 1.17 N ATOM 0 H LYS A 119 0.394 10.310 13.953 1.00 0.23 H new ATOM 0 HA LYS A 119 1.482 11.236 16.500 1.00 0.26 H new ATOM 0 HB2 LYS A 119 2.011 8.793 14.758 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.687 9.062 16.353 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.364 9.094 17.296 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.263 8.733 15.700 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.063 6.687 17.059 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.969 6.611 15.645 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.197 5.789 17.573 1.00 0.87 H new ATOM 0 HE3 LYS A 119 2.919 7.290 17.028 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.738 7.331 19.389 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 1.620 8.450 18.771 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.085 6.943 19.342 1.00 1.17 H new ATOM 1813 N PRO A 120 3.763 12.011 15.771 1.00 0.38 N ATOM 1814 CA PRO A 120 5.089 12.495 15.361 1.00 0.45 C ATOM 1815 C PRO A 120 6.028 11.332 15.061 1.00 0.40 C ATOM 1816 O PRO A 120 7.079 11.495 14.440 1.00 0.45 O ATOM 1817 CB PRO A 120 5.585 13.280 16.578 1.00 0.57 C ATOM 1818 CG PRO A 120 4.788 12.763 17.726 1.00 0.58 C ATOM 1819 CD PRO A 120 3.450 12.380 17.160 1.00 0.48 C ATOM 0 HA PRO A 120 5.050 13.095 14.452 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.652 13.126 16.738 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.434 14.351 16.444 1.00 0.57 H new ATOM 0 HG2 PRO A 120 5.278 11.905 18.186 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.681 13.522 18.501 1.00 0.58 H new ATOM 0 HD2 PRO A 120 3.005 11.548 17.707 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.742 13.207 17.207 1.00 0.48 H new ATOM 1827 N GLU A 121 5.616 10.156 15.518 1.00 0.35 N ATOM 1828 CA GLU A 121 6.345 8.916 15.287 1.00 0.37 C ATOM 1829 C GLU A 121 6.086 8.399 13.873 1.00 0.30 C ATOM 1830 O GLU A 121 6.559 7.327 13.491 1.00 0.37 O ATOM 1831 CB GLU A 121 5.918 7.875 16.320 1.00 0.48 C ATOM 1832 CG GLU A 121 6.027 8.384 17.747 1.00 0.62 C ATOM 1833 CD GLU A 121 5.595 7.359 18.775 1.00 1.04 C ATOM 1834 OE1 GLU A 121 6.329 6.372 18.986 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.514 7.533 19.372 1.00 1.45 O ATOM 0 H GLU A 121 4.762 10.035 16.062 1.00 0.35 H new ATOM 0 HA GLU A 121 7.413 9.106 15.389 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.889 7.575 16.123 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.536 6.984 16.208 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.058 8.677 17.945 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.415 9.279 17.855 1.00 0.62 H new ATOM 1842 N ALA A 122 5.306 9.170 13.122 1.00 0.24 N ATOM 1843 CA ALA A 122 5.033 8.892 11.719 1.00 0.22 C ATOM 1844 C ALA A 122 6.328 8.791 10.927 1.00 0.21 C ATOM 1845 O ALA A 122 7.008 9.790 10.709 1.00 0.26 O ATOM 1846 CB ALA A 122 4.152 9.986 11.138 1.00 0.27 C ATOM 0 H ALA A 122 4.844 10.009 13.473 1.00 0.24 H new ATOM 0 HA ALA A 122 4.513 7.936 11.650 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.951 9.772 10.088 1.00 0.27 H new ATOM 0 HB2 ALA A 122 3.211 10.025 11.687 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.661 10.946 11.222 1.00 0.27 H new ATOM 1852 N ASN A 123 6.673 7.582 10.515 1.00 0.21 N ATOM 1853 CA ASN A 123 7.788 7.381 9.604 1.00 0.23 C ATOM 1854 C ASN A 123 7.221 6.794 8.334 1.00 0.23 C ATOM 1855 O ASN A 123 7.353 5.602 8.060 1.00 0.25 O ATOM 1856 CB ASN A 123 8.837 6.427 10.186 1.00 0.26 C ATOM 1857 CG ASN A 123 10.239 6.832 9.874 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.410 7.531 8.793 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 11.174 6.522 10.618 1.00 0.52 N flip ATOM 0 H ASN A 123 6.197 6.725 10.797 1.00 0.21 H new ATOM 0 HA ASN A 123 8.288 8.333 9.424 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.713 6.377 11.268 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.661 5.424 9.798 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.996 5.972 11.458 1.00 0.52 H new ATOM 0 HD22 ASN A 123 12.124 6.816 10.393 1.00 0.52 H new ATOM 1866 N PRO A 124 6.586 7.649 7.537 1.00 0.25 N ATOM 1867 CA PRO A 124 5.759 7.223 6.414 1.00 0.32 C ATOM 1868 C PRO A 124 6.533 6.513 5.346 1.00 0.33 C ATOM 1869 O PRO A 124 6.351 5.326 5.130 1.00 0.35 O ATOM 1870 CB PRO A 124 5.195 8.525 5.879 1.00 0.40 C ATOM 1871 CG PRO A 124 6.146 9.578 6.328 1.00 0.32 C ATOM 1872 CD PRO A 124 6.632 9.116 7.664 1.00 0.27 C ATOM 0 HA PRO A 124 5.003 6.504 6.728 1.00 0.32 H new ATOM 0 HB2 PRO A 124 5.117 8.503 4.792 1.00 0.40 H new ATOM 0 HB3 PRO A 124 4.193 8.709 6.267 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.971 9.690 5.625 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.655 10.548 6.401 1.00 0.32 H new ATOM 0 HD2 PRO A 124 7.640 9.473 7.873 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.994 9.472 8.472 1.00 0.27 H new ATOM 1880 N ASP A 125 7.411 7.240 4.702 1.00 0.37 N ATOM 1881 CA ASP A 125 8.205 6.698 3.623 1.00 0.44 C ATOM 1882 C ASP A 125 9.134 5.604 4.120 1.00 0.34 C ATOM 1883 O ASP A 125 9.754 4.910 3.323 1.00 0.33 O ATOM 1884 CB ASP A 125 9.002 7.804 2.949 1.00 0.61 C ATOM 1885 CG ASP A 125 8.110 8.793 2.217 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.298 9.479 2.874 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.217 8.892 0.972 1.00 1.13 O ATOM 0 H ASP A 125 7.597 8.221 4.908 1.00 0.37 H new ATOM 0 HA ASP A 125 7.527 6.256 2.893 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.590 8.334 3.699 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.707 7.363 2.244 1.00 0.61 H new ATOM 1892 N ARG A 126 9.227 5.433 5.438 1.00 0.31 N ATOM 1893 CA ARG A 126 10.007 4.331 5.970 1.00 0.31 C ATOM 1894 C ARG A 126 9.177 3.066 5.940 1.00 0.27 C ATOM 1895 O ARG A 126 9.580 2.057 5.370 1.00 0.30 O ATOM 1896 CB ARG A 126 10.467 4.600 7.395 1.00 0.35 C ATOM 1897 CG ARG A 126 11.305 3.466 7.967 1.00 0.51 C ATOM 1898 CD ARG A 126 12.529 3.187 7.104 1.00 1.24 C ATOM 1899 NE ARG A 126 12.815 1.755 7.008 1.00 1.92 N ATOM 1900 CZ ARG A 126 14.004 1.207 7.250 1.00 2.94 C ATOM 1901 NH1 ARG A 126 15.035 1.966 7.595 1.00 3.49 N ATOM 1902 NH2 ARG A 126 14.152 -0.106 7.137 1.00 3.79 N ATOM 0 H ARG A 126 8.783 6.029 6.136 1.00 0.31 H new ATOM 0 HA ARG A 126 10.894 4.217 5.347 1.00 0.31 H new ATOM 0 HB2 ARG A 126 11.048 5.522 7.417 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.595 4.758 8.030 1.00 0.35 H new ATOM 0 HG2 ARG A 126 11.622 3.721 8.978 1.00 0.51 H new ATOM 0 HG3 ARG A 126 10.697 2.564 8.041 1.00 0.51 H new ATOM 0 HD2 ARG A 126 12.369 3.593 6.105 1.00 1.24 H new ATOM 0 HD3 ARG A 126 13.393 3.702 7.523 1.00 1.24 H new ATOM 0 HE ARG A 126 12.052 1.135 6.737 1.00 1.92 H new ATOM 0 HH11 ARG A 126 14.920 2.976 7.676 1.00 3.49 H new ATOM 0 HH12 ARG A 126 15.943 1.540 7.779 1.00 3.49 H new ATOM 0 HH21 ARG A 126 13.359 -0.687 6.867 1.00 3.79 H new ATOM 0 HH22 ARG A 126 15.059 -0.535 7.320 1.00 3.79 H new ATOM 1916 N VAL A 127 8.001 3.147 6.537 1.00 0.25 N ATOM 1917 CA VAL A 127 7.090 2.008 6.590 1.00 0.28 C ATOM 1918 C VAL A 127 6.552 1.712 5.195 1.00 0.28 C ATOM 1919 O VAL A 127 6.207 0.582 4.866 1.00 0.33 O ATOM 1920 CB VAL A 127 5.941 2.245 7.597 1.00 0.36 C ATOM 1921 CG1 VAL A 127 6.530 2.565 8.956 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.983 3.349 7.151 1.00 0.44 C ATOM 0 H VAL A 127 7.651 3.989 6.994 1.00 0.25 H new ATOM 0 HA VAL A 127 7.645 1.139 6.943 1.00 0.28 H new ATOM 0 HB VAL A 127 5.350 1.331 7.651 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.725 2.733 9.671 1.00 0.59 H new ATOM 0 HG12 VAL A 127 7.145 1.730 9.292 1.00 0.59 H new ATOM 0 HG13 VAL A 127 7.145 3.462 8.884 1.00 0.59 H new ATOM 0 HG21 VAL A 127 4.197 3.472 7.896 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.531 4.285 7.044 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.537 3.079 6.194 1.00 0.44 H new ATOM 1932 N MET A 128 6.542 2.755 4.385 1.00 0.27 N ATOM 1933 CA MET A 128 6.177 2.702 2.978 1.00 0.31 C ATOM 1934 C MET A 128 7.268 1.982 2.173 1.00 0.26 C ATOM 1935 O MET A 128 6.996 1.314 1.178 1.00 0.35 O ATOM 1936 CB MET A 128 6.001 4.155 2.526 1.00 0.52 C ATOM 1937 CG MET A 128 5.757 4.398 1.057 1.00 0.81 C ATOM 1938 SD MET A 128 5.618 6.175 0.727 1.00 0.67 S ATOM 1939 CE MET A 128 4.538 6.225 -0.695 1.00 0.46 C ATOM 0 H MET A 128 6.795 3.693 4.697 1.00 0.27 H new ATOM 0 HA MET A 128 5.256 2.141 2.817 1.00 0.31 H new ATOM 0 HB2 MET A 128 5.166 4.582 3.082 1.00 0.52 H new ATOM 0 HB3 MET A 128 6.894 4.709 2.816 1.00 0.52 H new ATOM 0 HG2 MET A 128 6.573 3.975 0.471 1.00 0.81 H new ATOM 0 HG3 MET A 128 4.844 3.891 0.744 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.793 7.009 -0.559 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.124 6.433 -1.590 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.037 5.263 -0.805 1.00 0.46 H new ATOM 1949 N GLN A 129 8.506 2.129 2.624 1.00 0.24 N ATOM 1950 CA GLN A 129 9.633 1.383 2.052 1.00 0.27 C ATOM 1951 C GLN A 129 9.582 -0.085 2.453 1.00 0.30 C ATOM 1952 O GLN A 129 9.906 -0.959 1.653 1.00 0.33 O ATOM 1953 CB GLN A 129 10.969 1.994 2.477 1.00 0.32 C ATOM 1954 CG GLN A 129 11.523 2.996 1.477 1.00 0.42 C ATOM 1955 CD GLN A 129 12.725 3.751 2.012 1.00 0.54 C ATOM 1956 OE1 GLN A 129 13.868 3.327 1.848 1.00 1.17 O ATOM 1957 NE2 GLN A 129 12.471 4.874 2.664 1.00 1.31 N ATOM 0 H GLN A 129 8.762 2.758 3.385 1.00 0.24 H new ATOM 0 HA GLN A 129 9.549 1.449 0.967 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.844 2.486 3.441 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.696 1.195 2.619 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.804 2.473 0.563 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.741 3.707 1.210 1.00 0.42 H new ATOM 0 HE21 GLN A 129 11.508 5.191 2.778 1.00 1.31 H new ATOM 0 HE22 GLN A 129 13.238 5.423 3.053 1.00 1.31 H new ATOM 1966 N GLU A 130 9.174 -0.357 3.689 1.00 0.37 N ATOM 1967 CA GLU A 130 8.992 -1.735 4.153 1.00 0.43 C ATOM 1968 C GLU A 130 7.951 -2.415 3.292 1.00 0.36 C ATOM 1969 O GLU A 130 7.983 -3.620 3.053 1.00 0.35 O ATOM 1970 CB GLU A 130 8.525 -1.754 5.602 1.00 0.61 C ATOM 1971 CG GLU A 130 9.290 -0.797 6.481 1.00 0.63 C ATOM 1972 CD GLU A 130 10.761 -1.147 6.563 1.00 1.04 C ATOM 1973 OE1 GLU A 130 11.105 -2.113 7.272 1.00 1.63 O ATOM 1974 OE2 GLU A 130 11.579 -0.465 5.910 1.00 1.64 O ATOM 0 H GLU A 130 8.963 0.355 4.389 1.00 0.37 H new ATOM 0 HA GLU A 130 9.945 -2.259 4.081 1.00 0.43 H new ATOM 0 HB2 GLU A 130 7.465 -1.504 5.639 1.00 0.61 H new ATOM 0 HB3 GLU A 130 8.629 -2.764 5.998 1.00 0.61 H new ATOM 0 HG2 GLU A 130 9.180 0.216 6.094 1.00 0.63 H new ATOM 0 HG3 GLU A 130 8.860 -0.804 7.483 1.00 0.63 H new ATOM 1981 N LEU A 131 7.033 -1.597 2.824 1.00 0.36 N ATOM 1982 CA LEU A 131 5.986 -2.037 1.939 1.00 0.37 C ATOM 1983 C LEU A 131 6.585 -2.524 0.633 1.00 0.29 C ATOM 1984 O LEU A 131 6.216 -3.583 0.134 1.00 0.32 O ATOM 1985 CB LEU A 131 5.002 -0.889 1.709 1.00 0.49 C ATOM 1986 CG LEU A 131 4.237 -0.469 2.964 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.556 0.871 2.789 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.210 -1.509 3.303 1.00 1.18 C ATOM 0 H LEU A 131 6.995 -0.603 3.050 1.00 0.36 H new ATOM 0 HA LEU A 131 5.444 -2.869 2.388 1.00 0.37 H new ATOM 0 HB2 LEU A 131 5.547 -0.028 1.322 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.287 -1.185 0.941 1.00 0.49 H new ATOM 0 HG LEU A 131 4.960 -0.375 3.774 1.00 0.71 H new ATOM 0 HD11 LEU A 131 3.024 1.131 3.704 1.00 1.36 H new ATOM 0 HD12 LEU A 131 4.304 1.634 2.575 1.00 1.36 H new ATOM 0 HD13 LEU A 131 2.848 0.814 1.962 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.667 -1.206 4.198 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.511 -1.615 2.473 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.705 -2.463 3.484 1.00 1.18 H new ATOM 2000 N MET A 132 7.554 -1.785 0.101 1.00 0.25 N ATOM 2001 CA MET A 132 8.166 -2.177 -1.157 1.00 0.26 C ATOM 2002 C MET A 132 9.119 -3.349 -0.956 1.00 0.30 C ATOM 2003 O MET A 132 9.519 -4.000 -1.920 1.00 0.37 O ATOM 2004 CB MET A 132 8.898 -1.017 -1.842 1.00 0.32 C ATOM 2005 CG MET A 132 10.337 -0.820 -1.379 1.00 0.88 C ATOM 2006 SD MET A 132 11.199 0.458 -2.316 1.00 1.60 S ATOM 2007 CE MET A 132 10.752 0.005 -3.992 1.00 1.61 C ATOM 0 H MET A 132 7.924 -0.929 0.514 1.00 0.25 H new ATOM 0 HA MET A 132 7.353 -2.484 -1.815 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.896 -1.187 -2.919 1.00 0.32 H new ATOM 0 HB3 MET A 132 8.342 -0.096 -1.663 1.00 0.32 H new ATOM 0 HG2 MET A 132 10.341 -0.555 -0.322 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.877 -1.762 -1.474 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.471 0.435 -4.689 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.757 -1.081 -4.089 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.756 0.385 -4.218 1.00 1.61 H new ATOM 2017 N GLU A 133 9.477 -3.617 0.292 1.00 0.32 N ATOM 2018 CA GLU A 133 10.289 -4.774 0.612 1.00 0.40 C ATOM 2019 C GLU A 133 9.441 -6.021 0.443 1.00 0.38 C ATOM 2020 O GLU A 133 9.938 -7.109 0.154 1.00 0.45 O ATOM 2021 CB GLU A 133 10.812 -4.673 2.040 1.00 0.54 C ATOM 2022 CG GLU A 133 11.743 -3.495 2.258 1.00 0.79 C ATOM 2023 CD GLU A 133 13.069 -3.665 1.549 1.00 1.07 C ATOM 2024 OE1 GLU A 133 13.980 -4.300 2.123 1.00 1.53 O ATOM 2025 OE2 GLU A 133 13.208 -3.177 0.411 1.00 1.67 O ATOM 0 H GLU A 133 9.216 -3.047 1.097 1.00 0.32 H new ATOM 0 HA GLU A 133 11.148 -4.821 -0.057 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.967 -4.590 2.724 1.00 0.54 H new ATOM 0 HB3 GLU A 133 11.338 -5.594 2.293 1.00 0.54 H new ATOM 0 HG2 GLU A 133 11.260 -2.584 1.905 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.919 -3.368 3.326 1.00 0.79 H new ATOM 2032 N TYR A 134 8.141 -5.832 0.623 1.00 0.35 N ATOM 2033 CA TYR A 134 7.163 -6.868 0.387 1.00 0.40 C ATOM 2034 C TYR A 134 6.538 -6.647 -0.991 1.00 0.41 C ATOM 2035 O TYR A 134 5.437 -7.108 -1.286 1.00 0.50 O ATOM 2036 CB TYR A 134 6.122 -6.855 1.506 1.00 0.46 C ATOM 2037 CG TYR A 134 6.670 -7.323 2.851 1.00 0.55 C ATOM 2038 CD1 TYR A 134 7.944 -6.971 3.296 1.00 0.88 C ATOM 2039 CD2 TYR A 134 5.894 -8.119 3.681 1.00 0.98 C ATOM 2040 CE1 TYR A 134 8.411 -7.405 4.524 1.00 0.95 C ATOM 2041 CE2 TYR A 134 6.355 -8.556 4.903 1.00 1.08 C ATOM 2042 CZ TYR A 134 7.730 -8.158 5.287 1.00 0.80 C ATOM 2043 OH TYR A 134 8.067 -8.629 6.544 1.00 0.95 O ATOM 0 H TYR A 134 7.740 -4.949 0.939 1.00 0.35 H new ATOM 0 HA TYR A 134 7.630 -7.853 0.393 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.729 -5.844 1.614 1.00 0.46 H new ATOM 0 HB3 TYR A 134 5.286 -7.493 1.221 1.00 0.46 H new ATOM 0 HD1 TYR A 134 8.574 -6.352 2.674 1.00 0.88 H new ATOM 0 HD2 TYR A 134 4.903 -8.403 3.361 1.00 0.98 H new ATOM 0 HE1 TYR A 134 9.393 -7.091 4.846 1.00 0.95 H new ATOM 0 HE2 TYR A 134 5.741 -9.162 5.553 1.00 1.08 H new ATOM 0 HH TYR A 134 7.340 -9.189 6.889 1.00 0.95 H new ATOM 2053 N ASN A 135 7.300 -5.920 -1.818 1.00 0.36 N ATOM 2054 CA ASN A 135 6.940 -5.571 -3.190 1.00 0.43 C ATOM 2055 C ASN A 135 5.587 -4.870 -3.260 1.00 0.48 C ATOM 2056 O ASN A 135 4.647 -5.329 -3.908 1.00 0.64 O ATOM 2057 CB ASN A 135 7.004 -6.807 -4.101 1.00 0.58 C ATOM 2058 CG ASN A 135 6.830 -6.490 -5.561 1.00 0.71 C ATOM 2059 OD1 ASN A 135 5.724 -6.526 -6.097 1.00 0.89 O ATOM 2060 ND2 ASN A 135 7.916 -6.201 -6.221 1.00 1.10 N ATOM 0 H ASN A 135 8.209 -5.550 -1.539 1.00 0.36 H new ATOM 0 HA ASN A 135 7.675 -4.855 -3.559 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.963 -7.304 -3.958 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.231 -7.513 -3.797 1.00 0.58 H new ATOM 0 HD21 ASN A 135 7.867 -5.994 -7.219 1.00 1.10 H new ATOM 0 HD22 ASN A 135 8.815 -6.181 -5.740 1.00 1.10 H new ATOM 2067 N LEU A 136 5.495 -3.770 -2.539 1.00 0.44 N ATOM 2068 CA LEU A 136 4.399 -2.838 -2.677 1.00 0.54 C ATOM 2069 C LEU A 136 4.947 -1.492 -3.095 1.00 0.41 C ATOM 2070 O LEU A 136 5.643 -0.829 -2.327 1.00 0.47 O ATOM 2071 CB LEU A 136 3.668 -2.713 -1.364 1.00 0.78 C ATOM 2072 CG LEU A 136 2.977 -3.982 -0.895 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.636 -3.869 0.576 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.734 -4.238 -1.732 1.00 1.17 C ATOM 0 H LEU A 136 6.184 -3.498 -1.837 1.00 0.44 H new ATOM 0 HA LEU A 136 3.702 -3.198 -3.433 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.377 -2.398 -0.598 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.923 -1.922 -1.453 1.00 0.78 H new ATOM 0 HG LEU A 136 3.649 -4.830 -1.023 1.00 0.64 H new ATOM 0 HD11 LEU A 136 2.141 -4.782 0.906 1.00 1.36 H new ATOM 0 HD12 LEU A 136 3.550 -3.724 1.151 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.971 -3.019 0.731 1.00 1.36 H new ATOM 0 HD21 LEU A 136 1.245 -5.150 -1.388 1.00 1.17 H new ATOM 0 HD22 LEU A 136 1.047 -3.398 -1.630 1.00 1.17 H new ATOM 0 HD23 LEU A 136 2.017 -4.350 -2.779 1.00 1.17 H new ATOM 2086 N VAL A 137 4.650 -1.085 -4.310 1.00 0.31 N ATOM 2087 CA VAL A 137 5.287 0.090 -4.863 1.00 0.27 C ATOM 2088 C VAL A 137 4.268 1.167 -5.188 1.00 0.29 C ATOM 2089 O VAL A 137 3.360 0.968 -5.998 1.00 0.33 O ATOM 2090 CB VAL A 137 6.116 -0.246 -6.111 1.00 0.29 C ATOM 2091 CG1 VAL A 137 6.680 1.024 -6.727 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.237 -1.204 -5.742 1.00 0.41 C ATOM 0 H VAL A 137 3.980 -1.544 -4.927 1.00 0.31 H new ATOM 0 HA VAL A 137 5.965 0.471 -4.099 1.00 0.27 H new ATOM 0 HB VAL A 137 5.472 -0.726 -6.848 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.265 0.771 -7.611 1.00 0.43 H new ATOM 0 HG12 VAL A 137 5.861 1.685 -7.011 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.318 1.528 -6.001 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.822 -1.439 -6.631 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.882 -0.740 -4.996 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.812 -2.121 -5.334 1.00 0.41 H new ATOM 2102 N PRO A 138 4.406 2.309 -4.504 1.00 0.34 N ATOM 2103 CA PRO A 138 3.556 3.471 -4.681 1.00 0.43 C ATOM 2104 C PRO A 138 3.509 3.978 -6.098 1.00 0.43 C ATOM 2105 O PRO A 138 4.244 3.541 -6.985 1.00 0.45 O ATOM 2106 CB PRO A 138 4.194 4.549 -3.812 1.00 0.53 C ATOM 2107 CG PRO A 138 5.049 3.831 -2.840 1.00 0.54 C ATOM 2108 CD PRO A 138 5.392 2.509 -3.446 1.00 0.39 C ATOM 0 HA PRO A 138 2.530 3.215 -4.418 1.00 0.43 H new ATOM 0 HB2 PRO A 138 4.783 5.240 -4.415 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.434 5.140 -3.302 1.00 0.53 H new ATOM 0 HG2 PRO A 138 5.952 4.402 -2.626 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.526 3.696 -1.893 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.406 2.510 -3.847 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.343 1.711 -2.705 1.00 0.39 H new ATOM 2116 N GLU A 139 2.672 4.960 -6.259 1.00 0.48 N ATOM 2117 CA GLU A 139 2.485 5.612 -7.545 1.00 0.56 C ATOM 2118 C GLU A 139 3.621 6.589 -7.787 1.00 0.56 C ATOM 2119 O GLU A 139 4.041 6.798 -8.924 1.00 0.64 O ATOM 2120 CB GLU A 139 1.137 6.334 -7.630 1.00 0.71 C ATOM 2121 CG GLU A 139 0.225 6.114 -6.435 1.00 1.35 C ATOM 2122 CD GLU A 139 0.634 6.899 -5.206 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.466 6.397 -4.427 1.00 3.08 O ATOM 2124 OE2 GLU A 139 0.136 8.030 -5.030 1.00 2.78 O ATOM 0 H GLU A 139 2.094 5.340 -5.509 1.00 0.48 H new ATOM 0 HA GLU A 139 2.489 4.843 -8.317 1.00 0.56 H new ATOM 0 HB2 GLU A 139 1.319 7.403 -7.740 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.619 6.005 -8.531 1.00 0.71 H new ATOM 0 HG2 GLU A 139 -0.793 6.390 -6.710 1.00 1.35 H new ATOM 0 HG3 GLU A 139 0.212 5.052 -6.190 1.00 1.35 H new ATOM 2131 N GLU A 140 4.125 7.163 -6.697 1.00 0.54 N ATOM 2132 CA GLU A 140 5.307 8.021 -6.750 1.00 0.60 C ATOM 2133 C GLU A 140 6.477 7.243 -7.331 1.00 0.56 C ATOM 2134 O GLU A 140 7.320 7.786 -8.046 1.00 0.65 O ATOM 2135 CB GLU A 140 5.720 8.468 -5.342 1.00 0.67 C ATOM 2136 CG GLU A 140 4.580 8.877 -4.443 1.00 0.63 C ATOM 2137 CD GLU A 140 4.022 10.237 -4.789 1.00 1.12 C ATOM 2138 OE1 GLU A 140 4.738 11.236 -4.583 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.873 10.318 -5.260 1.00 1.57 O ATOM 0 H GLU A 140 3.732 7.049 -5.763 1.00 0.54 H new ATOM 0 HA GLU A 140 5.060 8.887 -7.364 1.00 0.60 H new ATOM 0 HB2 GLU A 140 6.266 7.654 -4.864 1.00 0.67 H new ATOM 0 HB3 GLU A 140 6.411 9.306 -5.431 1.00 0.67 H new ATOM 0 HG2 GLU A 140 3.785 8.135 -4.511 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.923 8.882 -3.408 1.00 0.63 H new ATOM 2146 N TRP A 141 6.503 5.956 -7.009 1.00 0.47 N ATOM 2147 CA TRP A 141 7.669 5.134 -7.222 1.00 0.49 C ATOM 2148 C TRP A 141 7.550 4.347 -8.521 1.00 0.51 C ATOM 2149 O TRP A 141 8.501 3.695 -8.957 1.00 0.66 O ATOM 2150 CB TRP A 141 7.847 4.195 -6.038 1.00 0.45 C ATOM 2151 CG TRP A 141 7.949 4.882 -4.695 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.635 6.178 -4.393 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.375 4.291 -3.465 1.00 0.44 C ATOM 2154 NE1 TRP A 141 7.856 6.428 -3.061 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.309 5.284 -2.470 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.807 3.015 -3.110 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.663 5.039 -1.145 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.154 2.773 -1.797 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.079 3.779 -0.829 1.00 0.52 C ATOM 0 H TRP A 141 5.714 5.461 -6.594 1.00 0.47 H new ATOM 0 HA TRP A 141 8.546 5.776 -7.305 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.007 3.501 -6.013 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.747 3.600 -6.196 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.265 6.903 -5.103 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.706 7.321 -2.591 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.869 2.230 -3.849 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.610 5.816 -0.397 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.490 1.787 -1.511 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.356 3.554 0.190 1.00 0.52 H new ATOM 2170 N GLY A 142 6.376 4.415 -9.136 1.00 0.45 N ATOM 2171 CA GLY A 142 6.166 3.765 -10.415 1.00 0.50 C ATOM 2172 C GLY A 142 5.716 2.322 -10.287 1.00 0.45 C ATOM 2173 O GLY A 142 6.063 1.487 -11.123 1.00 0.53 O ATOM 0 H GLY A 142 5.563 4.911 -8.770 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.419 4.323 -10.980 1.00 0.50 H new ATOM 0 HA3 GLY A 142 7.092 3.800 -10.989 1.00 0.50 H new ATOM 2177 N GLY A 143 4.951 2.017 -9.246 1.00 0.39 N ATOM 2178 CA GLY A 143 4.441 0.674 -9.088 1.00 0.41 C ATOM 2179 C GLY A 143 2.986 0.583 -9.467 1.00 0.45 C ATOM 2180 O GLY A 143 2.603 0.986 -10.564 1.00 0.60 O ATOM 0 H GLY A 143 4.678 2.673 -8.514 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.022 -0.011 -9.706 1.00 0.41 H new ATOM 0 HA3 GLY A 143 4.568 0.356 -8.053 1.00 0.41 H new ATOM 2184 N ASP A 144 2.173 0.086 -8.550 1.00 0.40 N ATOM 2185 CA ASP A 144 0.739 -0.049 -8.798 1.00 0.45 C ATOM 2186 C ASP A 144 -0.050 -0.083 -7.497 1.00 0.33 C ATOM 2187 O ASP A 144 -0.762 -1.054 -7.163 1.00 0.35 O ATOM 2188 CB ASP A 144 0.422 -1.289 -9.630 1.00 0.64 C ATOM 2189 CG ASP A 144 0.345 -1.004 -11.115 1.00 1.33 C ATOM 2190 OD1 ASP A 144 -0.538 -0.225 -11.535 1.00 1.91 O ATOM 2191 OD2 ASP A 144 1.172 -1.549 -11.872 1.00 1.91 O ATOM 0 H ASP A 144 2.475 -0.231 -7.629 1.00 0.40 H new ATOM 0 HA ASP A 144 0.437 0.831 -9.366 1.00 0.45 H new ATOM 0 HB2 ASP A 144 1.186 -2.045 -9.450 1.00 0.64 H new ATOM 0 HB3 ASP A 144 -0.527 -1.710 -9.297 1.00 0.64 H new ATOM 2196 N THR A 145 0.052 1.007 -6.779 1.00 0.26 N ATOM 2197 CA THR A 145 -0.700 1.197 -5.566 1.00 0.24 C ATOM 2198 C THR A 145 -0.764 2.670 -5.214 1.00 0.27 C ATOM 2199 O THR A 145 0.264 3.343 -5.180 1.00 0.37 O ATOM 2200 CB THR A 145 -0.057 0.446 -4.389 1.00 0.25 C ATOM 2201 OG1 THR A 145 -0.063 -0.969 -4.622 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.794 0.766 -3.108 1.00 0.30 C ATOM 0 H THR A 145 0.661 1.789 -7.020 1.00 0.26 H new ATOM 0 HA THR A 145 -1.702 0.805 -5.739 1.00 0.24 H new ATOM 0 HB THR A 145 0.979 0.772 -4.297 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.655 -1.174 -5.376 1.00 0.30 H new ATOM 0 HG21 THR A 145 -0.332 0.230 -2.279 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.746 1.838 -2.919 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.836 0.461 -3.202 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.962 3.170 -4.964 1.00 0.26 N ATOM 2211 CA ILE A 146 -2.118 4.513 -4.459 1.00 0.28 C ATOM 2212 C ILE A 146 -1.778 4.521 -2.980 1.00 0.23 C ATOM 2213 O ILE A 146 -2.526 3.996 -2.152 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.548 5.034 -4.673 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.869 5.146 -6.167 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.729 6.371 -3.984 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -3.022 6.164 -6.890 1.00 0.63 C ATOM 0 H ILE A 146 -2.836 2.663 -5.104 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.444 5.173 -5.006 1.00 0.28 H new ATOM 0 HB ILE A 146 -4.244 4.320 -4.232 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.730 4.171 -6.635 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.920 5.409 -6.286 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.746 6.728 -4.144 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.548 6.257 -2.915 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -3.023 7.091 -4.396 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -3.303 6.190 -7.943 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -3.179 7.148 -6.448 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.970 5.891 -6.802 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.625 5.073 -2.665 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.168 5.151 -1.290 1.00 0.30 C ATOM 2231 C PHE A 147 -0.622 6.448 -0.639 1.00 0.32 C ATOM 2232 O PHE A 147 -0.133 7.526 -0.970 1.00 0.50 O ATOM 2233 CB PHE A 147 1.348 5.076 -1.224 1.00 0.41 C ATOM 2234 CG PHE A 147 1.904 3.685 -1.175 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.683 2.805 -2.219 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.618 3.247 -0.080 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.177 1.519 -2.170 1.00 0.33 C ATOM 2238 CE2 PHE A 147 3.112 1.959 -0.026 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.975 1.126 -1.097 1.00 0.33 C ATOM 0 H PHE A 147 0.018 5.477 -3.346 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.601 4.306 -0.754 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.762 5.588 -2.093 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.687 5.620 -0.342 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.118 3.128 -3.081 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.793 3.920 0.746 1.00 0.37 H new ATOM 0 HE1 PHE A 147 1.947 0.819 -2.960 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.609 1.610 0.867 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.480 0.171 -1.114 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.545 6.341 0.291 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.059 7.499 0.993 1.00 0.27 C ATOM 2251 C CYS A 148 -1.500 7.575 2.406 1.00 0.31 C ATOM 2252 O CYS A 148 -1.816 6.752 3.247 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.577 7.451 1.046 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.382 7.586 -0.567 1.00 0.68 S ATOM 0 H CYS A 148 -1.959 5.455 0.582 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.744 8.389 0.448 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.883 6.516 1.515 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.932 8.259 1.685 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.593 7.121 -0.488 1.00 0.68 H new ATOM 2260 N LYS A 149 -0.669 8.569 2.655 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.098 8.799 3.984 1.00 0.28 C ATOM 2262 C LYS A 149 -1.030 9.694 4.794 1.00 0.28 C ATOM 2263 O LYS A 149 -0.938 10.919 4.750 1.00 0.40 O ATOM 2264 CB LYS A 149 1.311 9.398 3.843 1.00 0.36 C ATOM 2265 CG LYS A 149 1.482 10.241 2.592 1.00 0.56 C ATOM 2266 CD LYS A 149 2.946 10.576 2.317 1.00 0.89 C ATOM 2267 CE LYS A 149 3.707 9.375 1.765 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.112 9.712 1.404 1.00 1.44 N ATOM 0 H LYS A 149 -0.367 9.242 1.950 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.001 7.856 4.522 1.00 0.28 H new ATOM 0 HB2 LYS A 149 1.527 10.011 4.718 1.00 0.36 H new ATOM 0 HB3 LYS A 149 2.042 8.590 3.831 1.00 0.36 H new ATOM 0 HG2 LYS A 149 1.066 9.708 1.737 1.00 0.56 H new ATOM 0 HG3 LYS A 149 0.914 11.165 2.698 1.00 0.56 H new ATOM 0 HD2 LYS A 149 3.003 11.401 1.606 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.421 10.915 3.238 1.00 0.89 H new ATOM 0 HE2 LYS A 149 3.707 8.576 2.506 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.190 8.994 0.885 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.424 9.106 0.619 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.166 10.709 1.114 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.729 9.557 2.227 1.00 1.44 H new ATOM 2282 N LEU A 150 -1.931 9.054 5.529 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.024 9.733 6.193 1.00 0.22 C ATOM 2284 C LEU A 150 -2.974 9.548 7.704 1.00 0.19 C ATOM 2285 O LEU A 150 -2.047 8.970 8.271 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.349 9.200 5.653 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.633 7.725 5.901 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.528 7.531 7.110 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.245 7.094 4.665 1.00 0.84 C ATOM 0 H LEU A 150 -1.919 8.045 5.679 1.00 0.21 H new ATOM 0 HA LEU A 150 -2.933 10.800 5.989 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.158 9.783 6.094 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.377 9.378 4.578 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.687 7.227 6.113 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.712 6.467 7.260 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.040 7.943 7.994 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.476 8.043 6.947 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.443 6.039 4.855 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.179 7.601 4.422 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.553 7.188 3.828 1.00 0.84 H new ATOM 2301 N SER A 151 -4.015 10.027 8.325 1.00 0.26 N ATOM 2302 CA SER A 151 -4.183 10.016 9.748 1.00 0.29 C ATOM 2303 C SER A 151 -5.670 10.009 10.024 1.00 0.25 C ATOM 2304 O SER A 151 -6.330 11.042 9.893 1.00 0.29 O ATOM 2305 CB SER A 151 -3.564 11.275 10.327 1.00 0.46 C ATOM 2306 OG SER A 151 -3.892 12.401 9.523 1.00 1.77 O ATOM 0 H SER A 151 -4.800 10.452 7.832 1.00 0.26 H new ATOM 0 HA SER A 151 -3.704 9.146 10.197 1.00 0.29 H new ATOM 0 HB2 SER A 151 -3.922 11.430 11.345 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.481 11.163 10.384 1.00 0.46 H new ATOM 0 HG SER A 151 -3.346 13.168 9.795 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.224 8.862 10.345 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.643 8.802 10.619 1.00 0.31 C ATOM 2314 C ALA A 152 -7.927 9.478 11.940 1.00 0.33 C ATOM 2315 O ALA A 152 -9.056 9.868 12.231 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.138 7.376 10.608 1.00 0.41 C ATOM 0 H ALA A 152 -5.727 7.975 10.422 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.182 9.331 9.833 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.208 7.361 10.817 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -7.953 6.934 9.629 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.611 6.802 11.370 1.00 0.41 H new ATOM 2322 N LYS A 153 -6.874 9.639 12.728 1.00 0.30 N ATOM 2323 CA LYS A 153 -6.986 10.362 13.987 1.00 0.34 C ATOM 2324 C LYS A 153 -7.063 11.871 13.766 1.00 0.36 C ATOM 2325 O LYS A 153 -7.886 12.540 14.386 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.842 10.009 14.919 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.154 8.865 15.869 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.581 9.362 17.241 1.00 1.12 C ATOM 2329 CE LYS A 153 -5.394 9.525 18.187 1.00 1.65 C ATOM 2330 NZ LYS A 153 -4.411 10.536 17.712 1.00 2.30 N ATOM 0 H LYS A 153 -5.941 9.283 12.521 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.919 10.053 14.459 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -4.968 9.746 14.323 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.576 10.891 15.502 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.946 8.248 15.445 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.275 8.229 15.972 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -7.095 10.318 17.136 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.296 8.662 17.674 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -5.758 9.815 19.173 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -4.893 8.564 18.302 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -3.720 10.729 18.465 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -3.916 10.172 16.873 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -4.909 11.415 17.466 1.00 2.30 H new ATOM 2344 N THR A 154 -6.217 12.429 12.894 1.00 0.30 N ATOM 2345 CA THR A 154 -6.312 13.850 12.589 1.00 0.39 C ATOM 2346 C THR A 154 -7.445 14.141 11.614 1.00 0.36 C ATOM 2347 O THR A 154 -7.882 15.284 11.475 1.00 0.41 O ATOM 2348 CB THR A 154 -5.002 14.369 12.004 1.00 0.47 C ATOM 2349 OG1 THR A 154 -3.956 13.468 12.353 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.683 15.757 12.538 1.00 0.70 C ATOM 0 H THR A 154 -5.478 11.929 12.400 1.00 0.30 H new ATOM 0 HA THR A 154 -6.519 14.363 13.528 1.00 0.39 H new ATOM 0 HB THR A 154 -5.097 14.436 10.920 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.109 13.790 11.981 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.745 16.106 12.107 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.485 16.444 12.267 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.591 15.717 13.623 1.00 0.70 H new ATOM 2358 N LYS A 155 -7.903 13.087 10.939 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.007 13.175 9.983 1.00 0.32 C ATOM 2360 C LYS A 155 -8.594 13.960 8.753 1.00 0.34 C ATOM 2361 O LYS A 155 -9.324 14.832 8.285 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.253 13.808 10.610 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.122 12.828 11.370 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.536 11.677 10.477 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.711 10.914 11.067 1.00 0.61 C ATOM 2366 NZ LYS A 155 -13.879 11.800 11.334 1.00 1.36 N ATOM 0 H LYS A 155 -7.519 12.147 11.040 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.257 12.156 9.688 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -9.943 14.604 11.287 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -10.848 14.272 9.823 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.579 12.447 12.235 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.008 13.338 11.749 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.805 12.057 9.491 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.693 11.000 10.339 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.008 10.120 10.381 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.401 10.434 11.995 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.749 11.230 11.356 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -13.753 12.274 12.251 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.952 12.515 10.582 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.427 13.637 8.229 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.904 14.350 7.059 1.00 0.33 C ATOM 2382 C GLU A 156 -6.955 13.464 5.829 1.00 0.28 C ATOM 2383 O GLU A 156 -7.744 13.668 4.889 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.448 14.767 7.282 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.163 15.348 8.650 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.700 15.692 8.829 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.262 16.752 8.333 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -2.980 14.909 9.477 1.00 2.48 O ATOM 0 H GLU A 156 -6.822 12.896 8.583 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.525 15.234 6.912 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -4.807 13.898 7.130 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.174 15.502 6.525 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -5.766 16.244 8.796 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.463 14.634 9.417 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.113 12.453 5.867 1.00 0.29 N ATOM 2396 CA GLY A 157 -5.928 11.587 4.739 1.00 0.28 C ATOM 2397 C GLY A 157 -7.154 10.765 4.403 1.00 0.27 C ATOM 2398 O GLY A 157 -7.192 10.124 3.362 1.00 0.29 O ATOM 0 H GLY A 157 -5.544 12.215 6.679 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.653 12.187 3.871 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.093 10.915 4.939 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.149 10.768 5.282 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.364 10.013 5.038 1.00 0.28 C ATOM 2404 C LEU A 158 -10.144 10.647 3.905 1.00 0.30 C ATOM 2405 O LEU A 158 -10.647 9.951 3.019 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.225 9.933 6.298 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.661 9.057 7.419 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.665 8.941 8.552 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.298 7.679 6.889 1.00 0.80 C ATOM 0 H LEU A 158 -8.136 11.282 6.163 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.088 8.997 4.758 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.369 10.942 6.685 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.209 9.554 6.023 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.755 9.527 7.802 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.251 8.315 9.343 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -10.881 9.933 8.950 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.585 8.492 8.178 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -8.899 7.071 7.701 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.188 7.200 6.481 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.547 7.777 6.105 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.218 11.971 3.920 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.854 12.697 2.837 1.00 0.38 C ATOM 2423 C ASP A 159 -10.055 12.507 1.559 1.00 0.32 C ATOM 2424 O ASP A 159 -10.612 12.254 0.491 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.981 14.190 3.159 1.00 0.50 C ATOM 2426 CG ASP A 159 -12.046 14.476 4.200 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -11.746 14.370 5.405 1.00 2.20 O ATOM 2428 OD2 ASP A 159 -13.186 14.825 3.818 1.00 1.42 O ATOM 0 H ASP A 159 -9.847 12.558 4.667 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.860 12.299 2.705 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -10.021 14.564 3.515 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -11.216 14.736 2.245 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.736 12.586 1.683 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.850 12.411 0.537 1.00 0.30 C ATOM 2435 C HIS A 160 -7.888 10.969 0.020 1.00 0.28 C ATOM 2436 O HIS A 160 -7.577 10.710 -1.142 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.420 12.815 0.923 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.410 12.649 -0.176 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.292 13.523 -1.231 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.462 11.704 -0.370 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.317 13.124 -2.026 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.795 12.023 -1.524 1.00 0.54 N ATOM 0 H HIS A 160 -8.256 12.770 2.564 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.196 13.056 -0.271 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.424 13.857 1.242 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.106 12.220 1.781 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.267 10.854 0.267 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -4.001 13.616 -2.934 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -3.022 11.495 -1.928 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.293 10.042 0.877 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.297 8.628 0.535 1.00 0.28 C ATOM 2453 C LEU A 161 -9.408 8.341 -0.464 1.00 0.29 C ATOM 2454 O LEU A 161 -9.172 7.779 -1.536 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.499 7.781 1.798 1.00 0.29 C ATOM 2456 CG LEU A 161 -7.751 6.444 1.842 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -8.125 5.671 3.096 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -8.042 5.608 0.609 1.00 1.16 C ATOM 0 H LEU A 161 -8.625 10.247 1.820 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.338 8.370 0.086 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.193 8.373 2.660 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.565 7.581 1.910 1.00 0.29 H new ATOM 0 HG LEU A 161 -6.683 6.660 1.860 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.586 4.724 3.114 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.860 6.256 3.977 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -9.198 5.478 3.098 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -7.497 4.666 0.671 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -9.111 5.405 0.551 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -7.727 6.152 -0.282 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.616 8.762 -0.118 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.783 8.503 -0.940 1.00 0.37 C ATOM 2472 C LEU A 162 -11.692 9.248 -2.270 1.00 0.38 C ATOM 2473 O LEU A 162 -12.291 8.834 -3.260 1.00 0.45 O ATOM 2474 CB LEU A 162 -13.056 8.871 -0.162 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.163 10.323 0.320 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.766 11.222 -0.751 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.982 10.393 1.600 1.00 1.51 C ATOM 0 H LEU A 162 -10.811 9.288 0.734 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.825 7.440 -1.177 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.917 8.656 -0.795 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.127 8.216 0.707 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.155 10.685 0.525 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.827 12.244 -0.376 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -13.138 11.199 -1.641 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.765 10.867 -1.003 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -14.051 11.429 1.932 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.983 10.005 1.413 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.500 9.795 2.374 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.929 10.339 -2.294 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.688 11.063 -3.532 1.00 0.44 C ATOM 2491 C GLU A 163 -9.754 10.271 -4.439 1.00 0.41 C ATOM 2492 O GLU A 163 -9.957 10.204 -5.651 1.00 0.50 O ATOM 2493 CB GLU A 163 -10.105 12.439 -3.232 1.00 0.56 C ATOM 2494 CG GLU A 163 -11.047 13.324 -2.437 1.00 1.03 C ATOM 2495 CD GLU A 163 -12.251 13.788 -3.238 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -12.619 13.118 -4.225 1.00 2.57 O ATOM 2497 OE2 GLU A 163 -12.831 14.833 -2.881 1.00 2.14 O ATOM 0 H GLU A 163 -10.471 10.736 -1.474 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.638 11.194 -4.050 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -9.174 12.320 -2.678 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -9.856 12.934 -4.171 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -11.392 12.779 -1.558 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -10.500 14.196 -2.078 1.00 1.03 H new ATOM 2504 N MET A 164 -8.742 9.653 -3.840 1.00 0.37 N ATOM 2505 CA MET A 164 -7.824 8.802 -4.588 1.00 0.39 C ATOM 2506 C MET A 164 -8.556 7.568 -5.103 1.00 0.37 C ATOM 2507 O MET A 164 -8.356 7.142 -6.239 1.00 0.43 O ATOM 2508 CB MET A 164 -6.641 8.374 -3.716 1.00 0.43 C ATOM 2509 CG MET A 164 -5.704 9.505 -3.313 1.00 0.64 C ATOM 2510 SD MET A 164 -4.796 10.228 -4.699 1.00 0.58 S ATOM 2511 CE MET A 164 -6.011 11.351 -5.386 1.00 0.53 C ATOM 0 H MET A 164 -8.537 9.725 -2.843 1.00 0.37 H new ATOM 0 HA MET A 164 -7.442 9.375 -5.433 1.00 0.39 H new ATOM 0 HB2 MET A 164 -7.026 7.900 -2.813 1.00 0.43 H new ATOM 0 HB3 MET A 164 -6.067 7.619 -4.252 1.00 0.43 H new ATOM 0 HG2 MET A 164 -6.283 10.287 -2.823 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.991 9.129 -2.579 1.00 0.64 H new ATOM 0 HE1 MET A 164 -6.364 10.965 -6.342 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.852 11.442 -4.699 1.00 0.53 H new ATOM 0 HE3 MET A 164 -5.557 12.331 -5.535 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.409 7.005 -4.256 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.251 5.884 -4.647 1.00 0.38 C ATOM 2523 C ILE A 165 -11.179 6.288 -5.788 1.00 0.44 C ATOM 2524 O ILE A 165 -11.334 5.557 -6.766 1.00 0.52 O ATOM 2525 CB ILE A 165 -11.099 5.379 -3.464 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.203 4.747 -2.395 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.145 4.387 -3.946 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.966 4.223 -1.196 1.00 0.50 C ATOM 0 H ILE A 165 -9.535 7.309 -3.290 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.592 5.080 -4.975 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.615 6.229 -3.018 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.640 3.928 -2.843 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.477 5.487 -2.058 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.735 4.040 -3.098 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.800 4.872 -4.670 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.651 3.537 -4.416 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.267 3.790 -0.481 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.508 5.042 -0.723 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.673 3.460 -1.520 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.791 7.455 -5.655 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.677 7.968 -6.685 1.00 0.57 C ATOM 2542 C LEU A 166 -11.936 8.164 -7.994 1.00 0.61 C ATOM 2543 O LEU A 166 -12.467 7.869 -9.052 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.301 9.289 -6.256 1.00 0.66 C ATOM 2545 CG LEU A 166 -13.911 10.085 -7.403 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -15.426 10.077 -7.332 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.362 11.496 -7.398 1.00 1.38 C ATOM 0 H LEU A 166 -11.689 8.064 -4.843 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.466 7.231 -6.832 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.074 9.090 -5.513 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -12.540 9.898 -5.769 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.634 9.611 -8.345 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -15.832 10.653 -8.163 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -15.788 9.050 -7.391 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -15.748 10.522 -6.391 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -13.802 12.060 -8.220 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -13.609 11.979 -6.453 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -12.279 11.465 -7.517 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.716 8.674 -7.912 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.863 8.831 -9.086 1.00 0.64 C ATOM 2561 C LEU A 167 -9.801 7.509 -9.842 1.00 0.66 C ATOM 2562 O LEU A 167 -9.830 7.467 -11.069 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.458 9.264 -8.651 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.598 9.963 -9.717 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -7.092 8.978 -10.762 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -8.383 11.083 -10.385 1.00 1.51 C ATOM 0 H LEU A 167 -10.290 8.989 -7.040 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.276 9.598 -9.742 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.556 9.935 -7.797 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.921 8.382 -8.303 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.731 10.390 -9.213 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.488 9.508 -11.499 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -6.485 8.213 -10.277 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.940 8.507 -11.259 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -7.759 11.567 -11.136 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -9.272 10.670 -10.862 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -8.681 11.816 -9.635 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.748 6.431 -9.082 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.733 5.096 -9.639 1.00 0.69 C ATOM 2580 C VAL A 168 -11.123 4.705 -10.153 1.00 0.77 C ATOM 2581 O VAL A 168 -11.247 4.073 -11.200 1.00 0.89 O ATOM 2582 CB VAL A 168 -9.250 4.066 -8.601 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.168 2.692 -9.223 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.903 4.474 -8.023 1.00 0.66 C ATOM 0 H VAL A 168 -9.714 6.459 -8.063 1.00 0.61 H new ATOM 0 HA VAL A 168 -9.035 5.097 -10.476 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.973 4.034 -7.786 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.825 1.975 -8.477 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.153 2.397 -9.584 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.466 2.711 -10.057 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.581 3.732 -7.292 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -7.167 4.537 -8.825 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.995 5.446 -7.538 1.00 0.66 H new