USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=23 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 105:sc= 0.713 USER MOD Set 1.2: A 154 THR OG1 : rot 180:sc= -2.22! USER MOD Set 2.1: A 16 HIS : no HD1:sc= -6.11! C(o=-16!,f=-17!) USER MOD Set 2.2: A 19 HIS : no HD1:sc= -5.49! C(o=-16!,f=-31!) USER MOD Set 2.3: A 96 THR OG1 : rot -164:sc= -4! USER MOD Single : A 12 THR OG1 : rot 36:sc= 0.0935 USER MOD Single : A 14 MET CE :methyl -163:sc= -0.391 (180deg=-0.878) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.0353 (180deg=-0.243) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -118:sc= -0.0113 (180deg=-0.283) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.593 F(o=-2.2,f=-0.59) USER MOD Single : A 101 ASN : amide:sc= -2.54! X(o=-2.5!,f=-2.4) USER MOD Single : A 102 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -119:sc= 0.502 (180deg=0.084) USER MOD Single : A 107 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.1) USER MOD Single : A 115 ASN : amide:sc= 0.501 K(o=0.5,f=-12!) USER MOD Single : A 116 LYS NZ :NH3+ -141:sc= 1.19 (180deg=-0.186) USER MOD Single : A 117 MET CE :methyl -111:sc= -1.55 (180deg=-6.02!) USER MOD Single : A 119 LYS NZ :NH3+ 137:sc= 1.25 (180deg=-0.0957) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.848 F(o=-1.9,f=-0.85) USER MOD Single : A 128 MET CE :methyl -129:sc= -1.49 (180deg=-6.42!) USER MOD Single : A 129 GLN : amide:sc= -0.053 K(o=-0.053,f=-0.59) USER MOD Single : A 132 MET CE :methyl -155:sc= -0.293 (180deg=-1.31!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0398 K(o=-0.04,f=-1.1) USER MOD Single : A 145 THR OG1 : rot -9:sc= -0.68! USER MOD Single : A 148 CYS SG : rot -100:sc= -1.52 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 149:sc= -0.224 (180deg=-1.12!) USER MOD Single : A 160 HIS : no HE2:sc= 0.409 K(o=0.41,f=-1.5) USER MOD Single : A 164 MET CE :methyl 132:sc= -1.83 (180deg=-4.61!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -11.486 -3.488 -0.351 1.00 0.44 N ATOM 172 CA THR A 12 -11.238 -4.263 0.853 1.00 0.45 C ATOM 173 C THR A 12 -10.237 -3.561 1.768 1.00 0.41 C ATOM 174 O THR A 12 -9.123 -3.261 1.358 1.00 0.50 O ATOM 175 CB THR A 12 -10.712 -5.669 0.510 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.638 -6.335 -0.361 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.512 -6.497 1.768 1.00 0.64 C ATOM 0 HA THR A 12 -12.191 -4.355 1.374 1.00 0.45 H new ATOM 0 HB THR A 12 -9.749 -5.561 0.010 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.033 -5.684 -0.978 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.140 -7.485 1.498 1.00 0.64 H new ATOM 0 HG22 THR A 12 -9.790 -6.003 2.418 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.462 -6.598 2.292 1.00 0.64 H new ATOM 185 N ILE A 13 -10.644 -3.307 3.002 1.00 0.40 N ATOM 186 CA ILE A 13 -9.774 -2.674 3.980 1.00 0.40 C ATOM 187 C ILE A 13 -9.052 -3.731 4.806 1.00 0.37 C ATOM 188 O ILE A 13 -9.660 -4.415 5.628 1.00 0.52 O ATOM 189 CB ILE A 13 -10.561 -1.741 4.930 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.192 -0.588 4.146 1.00 1.15 C ATOM 191 CG2 ILE A 13 -9.656 -1.202 6.033 1.00 1.26 C ATOM 192 CD1 ILE A 13 -11.947 0.393 5.020 1.00 1.30 C ATOM 0 H ILE A 13 -11.576 -3.531 3.351 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.051 -2.074 3.428 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.357 -2.322 5.395 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -10.410 -0.055 3.606 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -11.873 -0.996 3.399 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.231 -0.548 6.689 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.253 -2.033 6.612 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -8.836 -0.639 5.588 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -12.368 1.184 4.399 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -12.751 -0.127 5.540 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -11.265 0.829 5.750 1.00 1.30 H new ATOM 204 N MET A 14 -7.759 -3.874 4.574 1.00 0.26 N ATOM 205 CA MET A 14 -6.953 -4.805 5.329 1.00 0.28 C ATOM 206 C MET A 14 -5.706 -4.110 5.842 1.00 0.24 C ATOM 207 O MET A 14 -5.443 -2.966 5.493 1.00 0.29 O ATOM 208 CB MET A 14 -6.573 -6.012 4.477 1.00 0.36 C ATOM 209 CG MET A 14 -7.635 -7.103 4.452 1.00 0.49 C ATOM 210 SD MET A 14 -7.049 -8.632 3.690 1.00 0.79 S ATOM 211 CE MET A 14 -6.640 -8.057 2.044 1.00 0.69 C ATOM 0 H MET A 14 -7.246 -3.352 3.863 1.00 0.26 H new ATOM 0 HA MET A 14 -7.539 -5.160 6.177 1.00 0.28 H new ATOM 0 HB2 MET A 14 -6.382 -5.680 3.457 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.641 -6.433 4.854 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.959 -7.312 5.472 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.508 -6.742 3.907 1.00 0.49 H new ATOM 0 HE1 MET A 14 -6.555 -8.910 1.371 1.00 0.69 H new ATOM 0 HE2 MET A 14 -7.424 -7.389 1.687 1.00 0.69 H new ATOM 0 HE3 MET A 14 -5.691 -7.521 2.071 1.00 0.69 H new ATOM 221 N GLY A 15 -4.949 -4.801 6.672 1.00 0.27 N ATOM 222 CA GLY A 15 -3.770 -4.223 7.253 1.00 0.27 C ATOM 223 C GLY A 15 -3.497 -4.806 8.610 1.00 0.24 C ATOM 224 O GLY A 15 -3.948 -5.913 8.911 1.00 0.31 O ATOM 0 H GLY A 15 -5.136 -5.763 6.954 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -2.915 -4.398 6.600 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -3.893 -3.143 7.335 1.00 0.27 H new ATOM 228 N HIS A 16 -2.766 -4.079 9.431 1.00 0.20 N ATOM 229 CA HIS A 16 -2.439 -4.567 10.763 1.00 0.17 C ATOM 230 C HIS A 16 -3.422 -4.060 11.809 1.00 0.19 C ATOM 231 O HIS A 16 -4.136 -3.074 11.614 1.00 0.22 O ATOM 232 CB HIS A 16 -1.018 -4.173 11.163 1.00 0.17 C ATOM 233 CG HIS A 16 -0.525 -4.865 12.402 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.589 -6.231 12.542 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.001 -4.335 13.526 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.109 -6.490 13.747 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.262 -5.373 14.376 1.00 0.22 N ATOM 0 H HIS A 16 -2.389 -3.158 9.207 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.509 -5.654 10.723 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.342 -4.399 10.338 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -0.980 -3.095 11.320 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.177 -3.287 13.718 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.028 -7.481 14.169 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.664 -5.306 15.311 1.00 0.22 H new ATOM 245 N VAL A 17 -3.438 -4.763 12.925 1.00 0.20 N ATOM 246 CA VAL A 17 -4.237 -4.413 14.079 1.00 0.25 C ATOM 247 C VAL A 17 -3.571 -3.296 14.869 1.00 0.26 C ATOM 248 O VAL A 17 -2.354 -3.129 14.808 1.00 0.25 O ATOM 249 CB VAL A 17 -4.417 -5.652 14.965 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.068 -6.276 15.279 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.134 -5.347 16.256 1.00 0.36 C ATOM 0 H VAL A 17 -2.884 -5.610 13.055 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.213 -4.060 13.745 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.034 -6.350 14.400 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.211 -7.154 15.909 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.579 -6.571 14.351 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.445 -5.551 15.803 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.233 -6.261 16.842 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.564 -4.612 16.824 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.124 -4.948 16.037 1.00 0.36 H new ATOM 261 N ASP A 18 -4.383 -2.514 15.575 1.00 0.31 N ATOM 262 CA ASP A 18 -3.913 -1.372 16.361 1.00 0.36 C ATOM 263 C ASP A 18 -3.522 -0.223 15.437 1.00 0.34 C ATOM 264 O ASP A 18 -3.471 0.931 15.849 1.00 0.41 O ATOM 265 CB ASP A 18 -2.754 -1.768 17.285 1.00 0.42 C ATOM 266 CG ASP A 18 -2.361 -0.659 18.242 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.928 -0.612 19.353 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.483 0.162 17.896 1.00 0.59 O ATOM 0 H ASP A 18 -5.392 -2.654 15.620 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.729 -1.035 17.000 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.037 -2.652 17.857 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -1.890 -2.043 16.680 1.00 0.42 H new ATOM 273 N HIS A 19 -3.253 -0.548 14.176 1.00 0.29 N ATOM 274 CA HIS A 19 -3.138 0.466 13.145 1.00 0.32 C ATOM 275 C HIS A 19 -4.524 1.008 12.862 1.00 0.43 C ATOM 276 O HIS A 19 -4.679 2.093 12.322 1.00 0.63 O ATOM 277 CB HIS A 19 -2.522 -0.091 11.857 1.00 0.29 C ATOM 278 CG HIS A 19 -1.133 -0.615 12.015 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.355 -0.907 10.920 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.434 -0.890 13.140 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.790 -1.353 11.401 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.785 -1.359 12.736 1.00 0.24 N ATOM 0 H HIS A 19 -3.112 -1.504 13.849 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.475 1.255 13.499 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.159 -0.892 11.481 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.517 0.695 11.101 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.773 -0.764 14.158 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.624 -1.672 10.793 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.549 -1.658 13.342 1.00 0.24 H new ATOM 290 N GLY A 20 -5.529 0.219 13.228 1.00 0.42 N ATOM 291 CA GLY A 20 -6.894 0.691 13.195 1.00 0.54 C ATOM 292 C GLY A 20 -7.749 0.004 12.164 1.00 0.57 C ATOM 293 O GLY A 20 -8.304 0.668 11.292 1.00 0.79 O ATOM 0 H GLY A 20 -5.418 -0.743 13.548 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.342 0.548 14.178 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -6.893 1.763 12.997 1.00 0.54 H new ATOM 297 N LYS A 21 -7.873 -1.314 12.247 1.00 0.61 N ATOM 298 CA LYS A 21 -8.773 -2.024 11.349 1.00 0.95 C ATOM 299 C LYS A 21 -10.212 -1.502 11.482 1.00 0.89 C ATOM 300 O LYS A 21 -10.773 -0.955 10.533 1.00 1.05 O ATOM 301 CB LYS A 21 -8.729 -3.523 11.630 1.00 1.36 C ATOM 302 CG LYS A 21 -9.808 -4.302 10.893 1.00 1.79 C ATOM 303 CD LYS A 21 -9.666 -4.165 9.386 1.00 2.30 C ATOM 304 CE LYS A 21 -8.632 -5.130 8.828 1.00 2.66 C ATOM 305 NZ LYS A 21 -9.098 -6.541 8.891 1.00 3.31 N ATOM 0 H LYS A 21 -7.373 -1.903 12.913 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.439 -1.845 10.327 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.751 -3.911 11.345 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -8.838 -3.689 12.702 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -9.751 -5.355 11.170 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -10.790 -3.944 11.201 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -10.630 -4.350 8.911 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -9.380 -3.143 9.139 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.411 -4.867 7.794 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -7.702 -5.030 9.388 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -8.528 -7.124 8.245 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -8.994 -6.898 9.862 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -10.098 -6.589 8.609 1.00 3.31 H new ATOM 319 N THR A 22 -10.799 -1.657 12.664 1.00 0.84 N ATOM 320 CA THR A 22 -12.188 -1.276 12.886 1.00 0.87 C ATOM 321 C THR A 22 -12.363 0.239 12.917 1.00 0.79 C ATOM 322 O THR A 22 -13.320 0.780 12.359 1.00 0.79 O ATOM 323 CB THR A 22 -12.711 -1.874 14.206 1.00 1.02 C ATOM 324 OG1 THR A 22 -11.736 -1.684 15.237 1.00 1.21 O ATOM 325 CG2 THR A 22 -13.013 -3.354 14.046 1.00 1.18 C ATOM 0 H THR A 22 -10.333 -2.045 13.484 1.00 0.84 H new ATOM 0 HA THR A 22 -12.764 -1.672 12.050 1.00 0.87 H new ATOM 0 HB THR A 22 -13.635 -1.364 14.478 1.00 1.02 H new ATOM 0 HG1 THR A 22 -12.070 -2.063 16.077 1.00 1.21 H new ATOM 0 HG21 THR A 22 -13.381 -3.754 14.991 1.00 1.18 H new ATOM 0 HG22 THR A 22 -13.771 -3.489 13.275 1.00 1.18 H new ATOM 0 HG23 THR A 22 -12.104 -3.882 13.758 1.00 1.18 H new ATOM 333 N THR A 23 -11.422 0.918 13.556 1.00 0.75 N ATOM 334 CA THR A 23 -11.500 2.359 13.737 1.00 0.75 C ATOM 335 C THR A 23 -11.498 3.106 12.405 1.00 0.67 C ATOM 336 O THR A 23 -12.080 4.171 12.298 1.00 0.66 O ATOM 337 CB THR A 23 -10.341 2.860 14.606 1.00 0.82 C ATOM 338 OG1 THR A 23 -10.243 2.059 15.790 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.534 4.318 14.998 1.00 1.17 C ATOM 0 H THR A 23 -10.589 0.490 13.961 1.00 0.75 H new ATOM 0 HA THR A 23 -12.446 2.563 14.238 1.00 0.75 H new ATOM 0 HB THR A 23 -9.423 2.779 14.024 1.00 0.82 H new ATOM 0 HG1 THR A 23 -9.500 2.381 16.342 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.695 4.643 15.614 1.00 1.17 H new ATOM 0 HG22 THR A 23 -10.584 4.933 14.099 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.461 4.424 15.562 1.00 1.17 H new ATOM 347 N LEU A 24 -10.892 2.524 11.384 1.00 0.65 N ATOM 348 CA LEU A 24 -10.755 3.195 10.097 1.00 0.63 C ATOM 349 C LEU A 24 -12.113 3.290 9.426 1.00 0.64 C ATOM 350 O LEU A 24 -12.603 4.373 9.124 1.00 0.65 O ATOM 351 CB LEU A 24 -9.807 2.409 9.213 1.00 0.67 C ATOM 352 CG LEU A 24 -9.053 3.196 8.128 1.00 0.84 C ATOM 353 CD1 LEU A 24 -10.001 3.740 7.069 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.246 4.325 8.754 1.00 1.30 C ATOM 0 H LEU A 24 -10.486 1.589 11.419 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.357 4.198 10.253 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.071 1.923 9.853 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.376 1.618 8.725 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.368 2.507 7.634 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -9.432 4.290 6.319 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -10.526 2.913 6.591 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -10.725 4.407 7.537 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.719 4.872 7.972 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.917 5.003 9.282 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.524 3.910 9.457 1.00 1.30 H new ATOM 366 N LEU A 25 -12.720 2.131 9.239 1.00 0.68 N ATOM 367 CA LEU A 25 -14.012 2.009 8.595 1.00 0.75 C ATOM 368 C LEU A 25 -15.114 2.657 9.440 1.00 0.74 C ATOM 369 O LEU A 25 -16.219 2.887 8.959 1.00 0.82 O ATOM 370 CB LEU A 25 -14.253 0.512 8.346 1.00 0.85 C ATOM 371 CG LEU A 25 -15.694 0.062 8.163 1.00 0.92 C ATOM 372 CD1 LEU A 25 -15.740 -1.190 7.301 1.00 1.63 C ATOM 373 CD2 LEU A 25 -16.316 -0.217 9.519 1.00 1.69 C ATOM 0 H LEU A 25 -12.323 1.239 9.534 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.030 2.542 7.644 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -13.693 0.223 7.457 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -13.830 -0.042 9.183 1.00 0.85 H new ATOM 0 HG LEU A 25 -16.258 0.852 7.667 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -16.775 -1.507 7.174 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -15.304 -0.976 6.325 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -15.174 -1.986 7.785 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -17.349 -0.539 9.386 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.753 -1.002 10.023 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -16.294 0.690 10.123 1.00 1.69 H new ATOM 385 N ASP A 26 -14.801 2.985 10.692 1.00 0.71 N ATOM 386 CA ASP A 26 -15.779 3.611 11.576 1.00 0.75 C ATOM 387 C ASP A 26 -15.555 5.104 11.606 1.00 0.70 C ATOM 388 O ASP A 26 -16.494 5.901 11.639 1.00 0.76 O ATOM 389 CB ASP A 26 -15.665 3.060 12.979 1.00 0.81 C ATOM 390 CG ASP A 26 -16.866 3.406 13.839 1.00 1.01 C ATOM 391 OD1 ASP A 26 -17.945 2.813 13.628 1.00 1.13 O ATOM 392 OD2 ASP A 26 -16.748 4.289 14.713 1.00 1.23 O ATOM 0 H ASP A 26 -13.885 2.829 11.114 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.776 3.393 11.194 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.556 1.976 12.932 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.762 3.452 13.447 1.00 0.81 H new ATOM 397 N ALA A 27 -14.289 5.474 11.574 1.00 0.63 N ATOM 398 CA ALA A 27 -13.901 6.875 11.549 1.00 0.61 C ATOM 399 C ALA A 27 -14.250 7.472 10.202 1.00 0.58 C ATOM 400 O ALA A 27 -14.607 8.645 10.092 1.00 0.62 O ATOM 401 CB ALA A 27 -12.411 7.003 11.805 1.00 0.61 C ATOM 0 H ALA A 27 -13.506 4.821 11.565 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.439 7.413 12.330 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.127 8.055 11.785 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -12.172 6.581 12.781 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.862 6.464 11.033 1.00 0.61 H new ATOM 407 N ILE A 28 -14.150 6.635 9.184 1.00 0.56 N ATOM 408 CA ILE A 28 -14.451 7.027 7.825 1.00 0.57 C ATOM 409 C ILE A 28 -15.965 7.202 7.651 1.00 0.64 C ATOM 410 O ILE A 28 -16.417 7.941 6.777 1.00 0.71 O ATOM 411 CB ILE A 28 -13.866 5.985 6.839 1.00 0.61 C ATOM 412 CG1 ILE A 28 -13.534 6.614 5.495 1.00 0.84 C ATOM 413 CG2 ILE A 28 -14.801 4.806 6.644 1.00 1.02 C ATOM 414 CD1 ILE A 28 -12.676 5.708 4.645 1.00 0.85 C ATOM 0 H ILE A 28 -13.857 5.663 9.281 1.00 0.56 H new ATOM 0 HA ILE A 28 -13.986 7.988 7.605 1.00 0.57 H new ATOM 0 HB ILE A 28 -12.943 5.617 7.287 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -14.458 6.843 4.963 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.016 7.559 5.655 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.354 4.099 5.946 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -14.970 4.313 7.601 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -15.752 5.158 6.245 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -12.462 6.196 3.694 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -11.740 5.500 5.164 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.205 4.773 4.462 1.00 0.85 H new ATOM 1221 N ILE A 81 -10.151 -3.806 -5.751 1.00 0.63 N ATOM 1222 CA ILE A 81 -9.001 -3.115 -5.161 1.00 0.42 C ATOM 1223 C ILE A 81 -8.906 -3.396 -3.658 1.00 0.38 C ATOM 1224 O ILE A 81 -9.925 -3.557 -2.983 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.120 -1.584 -5.388 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.077 -1.266 -6.888 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.024 -0.827 -4.650 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.287 0.201 -7.208 1.00 0.71 C ATOM 0 HA ILE A 81 -8.100 -3.488 -5.648 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.078 -1.256 -4.985 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.114 -1.582 -7.290 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -9.842 -1.853 -7.396 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.136 0.242 -4.830 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -8.101 -1.025 -3.581 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.049 -1.155 -5.010 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -9.243 0.348 -8.287 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.262 0.518 -6.838 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -8.507 0.793 -6.729 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.683 -3.454 -3.128 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.501 -3.621 -1.691 1.00 0.28 C ATOM 1242 C VAL A 82 -6.762 -2.433 -1.089 1.00 0.23 C ATOM 1243 O VAL A 82 -5.803 -1.912 -1.656 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.735 -4.912 -1.331 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.357 -4.889 -1.943 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -6.632 -5.086 0.184 1.00 1.17 C ATOM 0 H VAL A 82 -6.818 -3.389 -3.665 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.505 -3.689 -1.272 1.00 0.28 H new ATOM 0 HB VAL A 82 -7.291 -5.758 -1.735 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -4.827 -5.805 -1.681 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.442 -4.816 -3.027 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -4.805 -4.030 -1.563 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.088 -6.003 0.409 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.102 -4.235 0.613 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.633 -5.144 0.612 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.233 -2.013 0.060 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.603 -0.979 0.838 1.00 0.19 C ATOM 1258 C ILE A 83 -5.754 -1.585 1.927 1.00 0.19 C ATOM 1259 O ILE A 83 -6.188 -2.493 2.641 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.638 -0.027 1.463 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.219 0.831 0.356 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.022 0.833 2.564 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -8.983 2.048 0.838 1.00 0.37 C ATOM 0 H ILE A 83 -8.080 -2.388 0.487 1.00 0.22 H new ATOM 0 HA ILE A 83 -5.973 -0.402 0.161 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.428 -0.609 1.937 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.408 1.161 -0.294 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.884 0.217 -0.251 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.784 1.492 2.980 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.629 0.190 3.351 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.213 1.433 2.147 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.363 2.603 -0.020 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.818 1.730 1.463 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.319 2.688 1.419 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.546 -1.091 2.040 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.653 -1.551 3.076 1.00 0.23 C ATOM 1277 C LEU A 84 -3.495 -0.482 4.141 1.00 0.24 C ATOM 1278 O LEU A 84 -2.844 0.535 3.921 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.283 -1.915 2.522 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.772 -3.275 2.981 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -1.653 -3.340 4.502 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.709 -4.346 2.473 1.00 1.01 C ATOM 0 H LEU A 84 -4.158 -0.372 1.429 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.094 -2.448 3.511 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.328 -1.903 1.433 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -1.567 -1.149 2.820 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.774 -3.436 2.573 1.00 0.31 H new ATOM 0 HD11 LEU A 84 -1.286 -4.323 4.797 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.957 -2.575 4.846 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -2.631 -3.168 4.951 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -2.353 -5.324 2.796 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -3.709 -4.174 2.872 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.743 -4.313 1.384 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.092 -0.715 5.286 1.00 0.21 N ATOM 1295 CA VAL A 85 -4.011 0.217 6.390 1.00 0.27 C ATOM 1296 C VAL A 85 -2.779 -0.067 7.237 1.00 0.25 C ATOM 1297 O VAL A 85 -2.791 -0.940 8.108 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.279 0.134 7.262 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -5.181 1.079 8.442 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.513 0.448 6.434 1.00 0.40 C ATOM 0 H VAL A 85 -4.645 -1.550 5.480 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.932 1.224 5.981 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.365 -0.883 7.644 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -6.087 1.004 9.044 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.317 0.812 9.051 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -5.069 2.101 8.081 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.400 0.385 7.065 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.430 1.455 6.024 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.596 -0.270 5.618 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.695 0.637 6.941 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.491 0.543 7.733 1.00 0.20 C ATOM 1312 C VAL A 86 -0.235 1.838 8.495 1.00 0.17 C ATOM 1313 O VAL A 86 -0.162 2.918 7.909 1.00 0.22 O ATOM 1314 CB VAL A 86 0.733 0.212 6.866 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.674 -1.228 6.398 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.834 1.152 5.675 1.00 0.64 C ATOM 0 H VAL A 86 -1.632 1.281 6.152 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.643 -0.269 8.444 1.00 0.20 H new ATOM 0 HB VAL A 86 1.625 0.347 7.478 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.548 -1.447 5.785 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.662 -1.891 7.263 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.230 -1.382 5.809 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.710 0.893 5.080 1.00 0.64 H new ATOM 0 HG22 VAL A 86 -0.062 1.059 5.061 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.926 2.179 6.029 1.00 0.64 H new ATOM 1326 N ALA A 87 -0.126 1.730 9.806 1.00 0.17 N ATOM 1327 CA ALA A 87 0.228 2.875 10.628 1.00 0.18 C ATOM 1328 C ALA A 87 1.695 3.228 10.415 1.00 0.16 C ATOM 1329 O ALA A 87 2.560 2.360 10.492 1.00 0.24 O ATOM 1330 CB ALA A 87 -0.050 2.580 12.094 1.00 0.28 C ATOM 0 H ALA A 87 -0.277 0.865 10.324 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.382 3.729 10.334 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.220 3.447 12.697 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -1.110 2.362 12.227 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.540 1.720 12.410 1.00 0.28 H new ATOM 1336 N ALA A 88 1.972 4.503 10.156 1.00 0.12 N ATOM 1337 CA ALA A 88 3.310 4.932 9.757 1.00 0.14 C ATOM 1338 C ALA A 88 4.300 4.793 10.891 1.00 0.16 C ATOM 1339 O ALA A 88 5.513 4.765 10.676 1.00 0.22 O ATOM 1340 CB ALA A 88 3.291 6.373 9.288 1.00 0.17 C ATOM 0 H ALA A 88 1.288 5.257 10.215 1.00 0.12 H new ATOM 0 HA ALA A 88 3.624 4.284 8.939 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.297 6.674 8.995 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.621 6.469 8.434 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.942 7.014 10.097 1.00 0.17 H new ATOM 1346 N ASP A 89 3.782 4.713 12.093 1.00 0.16 N ATOM 1347 CA ASP A 89 4.640 4.636 13.269 1.00 0.21 C ATOM 1348 C ASP A 89 5.051 3.191 13.542 1.00 0.22 C ATOM 1349 O ASP A 89 5.989 2.934 14.297 1.00 0.37 O ATOM 1350 CB ASP A 89 3.932 5.212 14.493 1.00 0.30 C ATOM 1351 CG ASP A 89 2.939 4.240 15.092 1.00 0.39 C ATOM 1352 OD1 ASP A 89 1.885 3.991 14.466 1.00 0.47 O ATOM 1353 OD2 ASP A 89 3.197 3.737 16.202 1.00 0.58 O ATOM 0 H ASP A 89 2.781 4.699 12.290 1.00 0.16 H new ATOM 0 HA ASP A 89 5.535 5.226 13.070 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.673 5.481 15.246 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.415 6.130 14.213 1.00 0.30 H new ATOM 1358 N ASP A 90 4.360 2.257 12.902 1.00 0.19 N ATOM 1359 CA ASP A 90 4.569 0.832 13.153 1.00 0.23 C ATOM 1360 C ASP A 90 5.049 0.132 11.880 1.00 0.25 C ATOM 1361 O ASP A 90 6.103 -0.499 11.867 1.00 0.42 O ATOM 1362 CB ASP A 90 3.266 0.217 13.660 1.00 0.26 C ATOM 1363 CG ASP A 90 3.478 -0.982 14.559 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.322 -0.903 15.474 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.771 -1.993 14.374 1.00 0.46 O ATOM 0 H ASP A 90 3.646 2.459 12.202 1.00 0.19 H new ATOM 0 HA ASP A 90 5.340 0.702 13.912 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.703 0.975 14.204 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.657 -0.081 12.806 1.00 0.26 H new ATOM 1370 N GLY A 91 4.277 0.281 10.807 1.00 0.20 N ATOM 1371 CA GLY A 91 4.687 -0.215 9.503 1.00 0.21 C ATOM 1372 C GLY A 91 4.059 -1.545 9.143 1.00 0.22 C ATOM 1373 O GLY A 91 2.842 -1.696 9.206 1.00 0.37 O ATOM 0 H GLY A 91 3.367 0.741 10.818 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.424 0.521 8.743 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.772 -0.317 9.486 1.00 0.21 H new ATOM 1377 N VAL A 92 4.883 -2.507 8.750 1.00 0.26 N ATOM 1378 CA VAL A 92 4.388 -3.819 8.358 1.00 0.26 C ATOM 1379 C VAL A 92 4.651 -4.826 9.473 1.00 0.24 C ATOM 1380 O VAL A 92 5.721 -4.843 10.094 1.00 0.28 O ATOM 1381 CB VAL A 92 5.018 -4.304 7.030 1.00 0.32 C ATOM 1382 CG1 VAL A 92 6.468 -4.722 7.218 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.196 -5.437 6.431 1.00 1.03 C ATOM 0 H VAL A 92 5.896 -2.403 8.694 1.00 0.26 H new ATOM 0 HA VAL A 92 3.314 -3.734 8.192 1.00 0.26 H new ATOM 0 HB VAL A 92 5.010 -3.467 6.332 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.877 -5.056 6.265 1.00 0.96 H new ATOM 0 HG12 VAL A 92 7.047 -3.874 7.583 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.521 -5.536 7.941 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.654 -5.765 5.498 1.00 1.03 H new ATOM 0 HG22 VAL A 92 4.162 -6.271 7.131 1.00 1.03 H new ATOM 0 HG23 VAL A 92 3.183 -5.087 6.234 1.00 1.03 H new ATOM 1393 N MET A 93 3.652 -5.642 9.725 1.00 0.22 N ATOM 1394 CA MET A 93 3.635 -6.554 10.854 1.00 0.22 C ATOM 1395 C MET A 93 3.030 -7.887 10.401 1.00 0.22 C ATOM 1396 O MET A 93 2.616 -7.995 9.244 1.00 0.23 O ATOM 1397 CB MET A 93 2.815 -5.916 11.977 1.00 0.21 C ATOM 1398 CG MET A 93 3.337 -4.554 12.405 1.00 0.23 C ATOM 1399 SD MET A 93 4.804 -4.677 13.437 1.00 0.28 S ATOM 1400 CE MET A 93 4.028 -5.166 14.970 1.00 0.27 C ATOM 0 H MET A 93 2.815 -5.694 9.145 1.00 0.22 H new ATOM 0 HA MET A 93 4.641 -6.746 11.226 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.781 -5.814 11.649 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.812 -6.583 12.839 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.567 -3.961 11.520 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.556 -4.023 12.950 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.211 -4.406 15.729 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.954 -5.274 14.816 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.444 -6.117 15.301 1.00 0.27 H new ATOM 1410 N PRO A 94 2.974 -8.917 11.275 1.00 0.25 N ATOM 1411 CA PRO A 94 2.450 -10.247 10.920 1.00 0.30 C ATOM 1412 C PRO A 94 1.187 -10.223 10.050 1.00 0.28 C ATOM 1413 O PRO A 94 1.228 -10.612 8.883 1.00 0.31 O ATOM 1414 CB PRO A 94 2.147 -10.859 12.280 1.00 0.37 C ATOM 1415 CG PRO A 94 3.183 -10.282 13.180 1.00 0.58 C ATOM 1416 CD PRO A 94 3.447 -8.886 12.677 1.00 0.30 C ATOM 0 HA PRO A 94 3.165 -10.801 10.312 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.142 -10.605 12.616 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.207 -11.947 12.249 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.835 -10.264 14.213 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.093 -10.881 13.160 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.909 -8.142 13.264 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.506 -8.634 12.736 1.00 0.30 H new ATOM 1424 N GLN A 95 0.069 -9.746 10.601 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.196 -9.808 9.881 1.00 0.32 C ATOM 1426 C GLN A 95 -1.241 -8.775 8.759 1.00 0.31 C ATOM 1427 O GLN A 95 -2.068 -8.855 7.851 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.389 -9.628 10.825 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.749 -8.185 11.136 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.167 -8.049 11.669 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.327 -8.037 12.986 1.00 0.75 O flip ATOM 1432 NE2 GLN A 95 -5.116 -7.928 10.900 1.00 0.34 N flip ATOM 0 H GLN A 95 0.017 -9.321 11.527 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.267 -10.801 9.436 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.258 -10.117 10.385 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.173 -10.143 11.761 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.047 -7.787 11.869 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.643 -7.583 10.234 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -4.961 -7.941 9.892 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -6.060 -7.814 11.269 1.00 0.34 H new ATOM 1441 N THR A 96 -0.326 -7.821 8.818 1.00 0.26 N ATOM 1442 CA THR A 96 -0.199 -6.815 7.781 1.00 0.25 C ATOM 1443 C THR A 96 0.284 -7.475 6.506 1.00 0.25 C ATOM 1444 O THR A 96 -0.222 -7.210 5.417 1.00 0.31 O ATOM 1445 CB THR A 96 0.795 -5.729 8.186 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.893 -5.694 9.605 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.353 -4.371 7.679 1.00 0.28 C ATOM 0 H THR A 96 0.344 -7.724 9.581 1.00 0.26 H new ATOM 0 HA THR A 96 -1.174 -6.353 7.628 1.00 0.25 H new ATOM 0 HB THR A 96 1.764 -5.961 7.745 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.318 -4.856 9.883 1.00 0.24 H new ATOM 0 HG21 THR A 96 1.079 -3.616 7.981 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.284 -4.393 6.591 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.622 -4.126 8.099 1.00 0.28 H new ATOM 1455 N VAL A 97 1.267 -8.355 6.661 1.00 0.25 N ATOM 1456 CA VAL A 97 1.787 -9.104 5.549 1.00 0.31 C ATOM 1457 C VAL A 97 0.756 -10.066 5.010 1.00 0.23 C ATOM 1458 O VAL A 97 0.635 -10.230 3.808 1.00 0.24 O ATOM 1459 CB VAL A 97 3.016 -9.927 5.912 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.584 -10.522 4.654 1.00 1.02 C ATOM 1461 CG2 VAL A 97 4.045 -9.092 6.621 1.00 1.38 C ATOM 0 H VAL A 97 1.714 -8.560 7.555 1.00 0.25 H new ATOM 0 HA VAL A 97 2.058 -8.356 4.804 1.00 0.31 H new ATOM 0 HB VAL A 97 2.725 -10.723 6.598 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.466 -11.115 4.898 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.836 -11.160 4.184 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.863 -9.723 3.967 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.909 -9.710 6.866 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.357 -8.272 5.974 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.616 -8.688 7.538 1.00 1.38 H new ATOM 1471 N GLU A 98 0.037 -10.724 5.903 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.006 -11.667 5.500 1.00 0.29 C ATOM 1473 C GLU A 98 -2.028 -10.978 4.599 1.00 0.31 C ATOM 1474 O GLU A 98 -2.593 -11.591 3.693 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.691 -12.262 6.728 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.759 -13.104 7.582 1.00 0.92 C ATOM 1477 CD GLU A 98 -1.441 -13.683 8.801 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -2.554 -14.232 8.656 1.00 1.97 O ATOM 1479 OE2 GLU A 98 -0.881 -13.569 9.913 1.00 2.35 O ATOM 0 H GLU A 98 0.152 -10.627 6.912 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.541 -12.477 4.938 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.100 -11.454 7.335 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.532 -12.876 6.406 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -0.355 -13.916 6.978 1.00 0.92 H new ATOM 0 HG3 GLU A 98 0.086 -12.493 7.900 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.236 -9.692 4.845 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.095 -8.879 3.999 1.00 0.35 C ATOM 1488 C ALA A 99 -2.440 -8.638 2.640 1.00 0.34 C ATOM 1489 O ALA A 99 -3.125 -8.549 1.620 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.409 -7.556 4.681 1.00 0.39 C ATOM 0 H ALA A 99 -1.819 -9.188 5.628 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.029 -9.417 3.838 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.053 -6.958 4.036 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -3.918 -7.746 5.626 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.482 -7.015 4.870 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.114 -8.567 2.627 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.372 -8.361 1.406 1.00 0.29 C ATOM 1498 C ILE A 100 -0.297 -9.667 0.636 1.00 0.29 C ATOM 1499 O ILE A 100 -0.505 -9.713 -0.571 1.00 0.34 O ATOM 1500 CB ILE A 100 1.052 -7.878 1.726 1.00 0.32 C ATOM 1501 CG1 ILE A 100 1.006 -6.496 2.379 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.900 -7.867 0.470 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.335 -6.046 2.942 1.00 0.41 C ATOM 0 H ILE A 100 -0.533 -8.651 3.461 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.879 -7.605 0.806 1.00 0.29 H new ATOM 0 HB ILE A 100 1.512 -8.569 2.432 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.668 -5.767 1.643 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.267 -6.507 3.180 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.905 -7.523 0.713 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.951 -8.874 0.057 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.454 -7.196 -0.264 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.225 -5.058 3.389 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.666 -6.753 3.702 1.00 0.41 H new ATOM 0 HD13 ILE A 100 3.073 -6.002 2.141 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.005 -10.721 1.373 1.00 0.29 N ATOM 1516 CA ASN A 101 0.075 -12.066 0.846 1.00 0.34 C ATOM 1517 C ASN A 101 -1.236 -12.466 0.183 1.00 0.36 C ATOM 1518 O ASN A 101 -1.237 -13.106 -0.863 1.00 0.43 O ATOM 1519 CB ASN A 101 0.441 -13.021 1.989 1.00 0.44 C ATOM 1520 CG ASN A 101 1.927 -13.066 2.253 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.737 -12.990 1.330 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.301 -13.164 3.514 1.00 0.64 N ATOM 0 H ASN A 101 0.187 -10.664 2.373 1.00 0.29 H new ATOM 0 HA ASN A 101 0.847 -12.116 0.078 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.077 -12.711 2.897 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.088 -14.024 1.747 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.293 -13.179 3.752 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.599 -13.225 4.251 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.347 -12.051 0.778 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.663 -12.303 0.209 1.00 0.43 C ATOM 1531 C HIS A 102 -3.842 -11.483 -1.072 1.00 0.37 C ATOM 1532 O HIS A 102 -4.472 -11.931 -2.030 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.737 -11.947 1.246 1.00 0.61 C ATOM 1534 CG HIS A 102 -6.104 -12.463 0.918 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.814 -13.314 1.739 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.896 -12.229 -0.147 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.983 -13.581 1.187 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -8.059 -12.931 0.041 1.00 1.91 N ATOM 0 H HIS A 102 -2.362 -11.536 1.658 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.761 -13.357 -0.049 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.435 -12.343 2.216 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.785 -10.863 1.345 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.658 -11.603 -0.994 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.747 -14.222 1.602 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.852 -12.948 -0.600 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.262 -10.290 -1.085 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.397 -9.377 -2.212 1.00 0.41 C ATOM 1549 C ALA A 103 -2.509 -9.786 -3.388 1.00 0.40 C ATOM 1550 O ALA A 103 -2.974 -9.855 -4.522 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.075 -7.957 -1.779 1.00 0.47 C ATOM 0 H ALA A 103 -2.689 -9.930 -0.321 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.432 -9.424 -2.551 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.180 -7.284 -2.630 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.762 -7.653 -0.990 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.052 -7.914 -1.406 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.233 -10.058 -3.123 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.298 -10.415 -4.182 1.00 0.49 C ATOM 1559 C LYS A 104 -0.682 -11.749 -4.784 1.00 0.54 C ATOM 1560 O LYS A 104 -0.574 -11.954 -5.991 1.00 0.66 O ATOM 1561 CB LYS A 104 1.128 -10.493 -3.647 1.00 0.61 C ATOM 1562 CG LYS A 104 1.531 -9.297 -2.807 1.00 0.70 C ATOM 1563 CD LYS A 104 1.335 -7.978 -3.545 1.00 0.84 C ATOM 1564 CE LYS A 104 2.122 -7.916 -4.849 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.593 -7.955 -4.634 1.00 1.66 N ATOM 0 H LYS A 104 -0.826 -10.038 -2.188 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.343 -9.640 -4.948 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.233 -11.398 -3.048 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.817 -10.585 -4.487 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.944 -9.287 -1.888 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.577 -9.396 -2.516 1.00 0.70 H new ATOM 0 HD2 LYS A 104 0.275 -7.838 -3.757 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.642 -7.155 -2.900 1.00 0.84 H new ATOM 0 HE2 LYS A 104 1.830 -8.751 -5.485 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.861 -7.002 -5.383 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 4.021 -7.082 -5.003 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.793 -8.035 -3.617 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 3.995 -8.775 -5.132 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.123 -12.651 -3.924 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.626 -13.947 -4.373 1.00 0.61 C ATOM 1581 C ALA A 105 -2.790 -13.776 -5.346 1.00 0.62 C ATOM 1582 O ALA A 105 -2.939 -14.548 -6.294 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.055 -14.803 -3.194 1.00 0.65 C ATOM 0 H ALA A 105 -1.145 -12.515 -2.913 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.812 -14.453 -4.892 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.425 -15.762 -3.556 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.202 -14.969 -2.535 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -2.846 -14.294 -2.643 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.616 -12.763 -5.110 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.742 -12.477 -5.986 1.00 0.64 C ATOM 1591 C ALA A 106 -4.296 -11.718 -7.232 1.00 0.64 C ATOM 1592 O ALA A 106 -4.885 -11.874 -8.303 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.805 -11.689 -5.242 1.00 0.68 C ATOM 0 H ALA A 106 -3.525 -12.127 -4.318 1.00 0.54 H new ATOM 0 HA ALA A 106 -5.167 -13.429 -6.306 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.640 -11.483 -5.911 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.158 -12.269 -4.389 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.381 -10.748 -4.891 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.264 -10.883 -7.055 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.624 -10.135 -8.143 1.00 0.65 C ATOM 1601 C ASN A 107 -3.424 -8.873 -8.409 1.00 0.60 C ATOM 1602 O ASN A 107 -3.668 -8.476 -9.547 1.00 0.85 O ATOM 1603 CB ASN A 107 -2.465 -10.986 -9.405 1.00 0.85 C ATOM 1604 CG ASN A 107 -1.611 -10.337 -10.468 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.734 -9.518 -10.179 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -1.846 -10.720 -11.709 1.00 1.41 N ATOM 0 H ASN A 107 -2.846 -10.706 -6.142 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.614 -9.860 -7.839 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -2.025 -11.946 -9.133 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -3.451 -11.194 -9.820 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -1.292 -10.336 -12.475 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -2.581 -11.400 -11.902 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.823 -8.249 -7.318 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.683 -7.093 -7.339 1.00 0.42 C ATOM 1615 C VAL A 108 -3.893 -5.811 -7.074 1.00 0.37 C ATOM 1616 O VAL A 108 -2.940 -5.812 -6.288 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.779 -7.256 -6.266 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.189 -7.758 -4.961 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.484 -5.949 -6.035 1.00 1.35 C ATOM 0 H VAL A 108 -3.551 -8.540 -6.379 1.00 0.44 H new ATOM 0 HA VAL A 108 -5.134 -7.015 -8.328 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.498 -7.991 -6.629 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -5.982 -7.865 -4.221 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.713 -8.725 -5.125 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.448 -7.046 -4.599 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.254 -6.080 -5.275 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.765 -5.203 -5.697 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.945 -5.615 -6.965 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.255 -4.708 -7.752 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.698 -3.390 -7.456 1.00 0.33 C ATOM 1631 C PRO A 109 -4.095 -2.909 -6.064 1.00 0.28 C ATOM 1632 O PRO A 109 -5.229 -3.128 -5.612 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.294 -2.475 -8.526 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.825 -3.390 -9.580 1.00 0.47 C ATOM 1635 CD PRO A 109 -5.205 -4.660 -8.876 1.00 0.40 C ATOM 0 HA PRO A 109 -2.608 -3.402 -7.467 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.086 -1.851 -8.112 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.539 -1.803 -8.933 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.687 -2.949 -10.081 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -4.073 -3.579 -10.347 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -6.239 -4.637 -8.531 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -5.105 -5.529 -9.527 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.178 -2.244 -5.383 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.397 -1.908 -3.999 1.00 0.21 C ATOM 1645 C ILE A 110 -3.591 -0.403 -3.804 1.00 0.19 C ATOM 1646 O ILE A 110 -3.259 0.407 -4.674 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.226 -2.437 -3.134 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.163 -3.965 -3.220 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.340 -1.994 -1.686 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -1.764 -4.617 -1.918 1.00 0.60 C ATOM 0 H ILE A 110 -2.286 -1.932 -5.766 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.319 -2.391 -3.675 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.304 -2.012 -3.530 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -3.137 -4.346 -3.526 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.451 -4.250 -3.995 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.498 -2.388 -1.117 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.333 -0.905 -1.637 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.271 -2.370 -1.263 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -1.738 -5.699 -2.046 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -0.777 -4.263 -1.621 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -2.489 -4.360 -1.145 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.121 -0.059 -2.645 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.402 1.306 -2.252 1.00 0.18 C ATOM 1664 C ILE A 111 -4.080 1.410 -0.796 1.00 0.16 C ATOM 1665 O ILE A 111 -4.917 1.208 0.077 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.877 1.728 -2.502 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.160 1.848 -3.996 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.193 3.054 -1.810 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.537 3.069 -4.624 1.00 0.37 C ATOM 0 H ILE A 111 -4.375 -0.743 -1.932 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.798 1.980 -2.859 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.517 0.952 -2.081 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -5.788 0.957 -4.502 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.238 1.877 -4.154 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.231 3.326 -2.001 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -6.037 2.950 -0.736 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.537 3.833 -2.199 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -5.777 3.094 -5.687 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.928 3.965 -4.143 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.455 3.032 -4.497 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.831 1.651 -0.541 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.365 1.701 0.794 1.00 0.18 C ATOM 1683 C VAL A 112 -2.780 2.994 1.429 1.00 0.20 C ATOM 1684 O VAL A 112 -2.963 4.009 0.764 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.853 1.551 0.853 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.387 1.607 2.255 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.436 0.245 0.258 1.00 0.19 C ATOM 0 H VAL A 112 -2.118 1.816 -1.251 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.808 0.870 1.343 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.409 2.369 0.286 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.697 1.498 2.283 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.667 2.565 2.694 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.847 0.799 2.824 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.649 0.152 0.308 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.896 -0.572 0.815 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.757 0.200 -0.783 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.925 2.940 2.711 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.347 4.072 3.469 1.00 0.24 C ATOM 1699 C ALA A 113 -2.635 4.090 4.795 1.00 0.25 C ATOM 1700 O ALA A 113 -2.957 3.335 5.713 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.852 4.062 3.625 1.00 0.29 C ATOM 0 H ALA A 113 -2.753 2.103 3.267 1.00 0.21 H new ATOM 0 HA ALA A 113 -3.084 4.989 2.942 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -5.163 4.931 4.205 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.320 4.096 2.641 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.158 3.152 4.141 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.631 4.937 4.854 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.851 5.118 6.042 1.00 0.27 C ATOM 1709 C ILE A 114 -1.712 5.784 7.091 1.00 0.30 C ATOM 1710 O ILE A 114 -2.398 6.737 6.795 1.00 0.50 O ATOM 1711 CB ILE A 114 0.392 5.986 5.756 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.402 5.224 4.897 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.037 6.438 7.039 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.094 5.243 3.414 1.00 0.59 C ATOM 0 H ILE A 114 -1.337 5.520 4.070 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.509 4.146 6.398 1.00 0.27 H new ATOM 0 HB ILE A 114 0.064 6.867 5.205 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.393 5.650 5.057 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.442 4.189 5.235 1.00 0.38 H new ATOM 0 HG21 ILE A 114 1.911 7.048 6.812 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.324 7.026 7.617 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.343 5.567 7.619 1.00 0.44 H new ATOM 0 HD11 ILE A 114 1.858 4.681 2.877 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.119 4.789 3.239 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.084 6.273 3.058 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.681 5.281 8.299 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.488 5.823 9.376 1.00 0.22 C ATOM 1728 C ASN A 115 -1.553 6.261 10.446 1.00 0.20 C ATOM 1729 O ASN A 115 -0.362 5.942 10.394 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.459 4.767 9.902 1.00 0.33 C ATOM 1731 CG ASN A 115 -4.466 5.371 10.850 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -4.818 6.542 10.724 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.928 4.591 11.805 1.00 0.56 N ATOM 0 H ASN A 115 -1.100 4.487 8.569 1.00 0.19 H new ATOM 0 HA ASN A 115 -3.087 6.663 9.025 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -3.979 4.299 9.066 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -2.903 3.980 10.412 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -5.605 4.953 12.477 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.609 3.625 11.873 1.00 0.56 H new ATOM 1740 N LYS A 116 -2.072 7.015 11.378 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.291 7.467 12.481 1.00 0.20 C ATOM 1742 C LYS A 116 -0.228 8.470 12.045 1.00 0.21 C ATOM 1743 O LYS A 116 0.850 8.551 12.628 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.697 6.249 13.182 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.686 5.582 14.116 1.00 0.32 C ATOM 1746 CD LYS A 116 -1.034 4.520 14.985 1.00 0.40 C ATOM 1747 CE LYS A 116 -2.071 3.711 15.747 1.00 0.51 C ATOM 1748 NZ LYS A 116 -1.453 2.636 16.565 1.00 0.59 N ATOM 0 H LYS A 116 -3.043 7.328 11.388 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.924 8.005 13.187 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.365 5.529 12.434 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.185 6.552 13.747 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -2.146 6.337 14.753 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.486 5.128 13.531 1.00 0.32 H new ATOM 0 HD2 LYS A 116 -0.437 3.854 14.362 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.351 4.994 15.690 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.643 4.375 16.395 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.775 3.269 15.042 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -2.045 1.782 16.521 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.506 2.419 16.195 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -1.375 2.953 17.553 1.00 0.59 H new ATOM 1762 N MET A 117 -0.556 9.237 11.008 1.00 0.21 N ATOM 1763 CA MET A 117 0.262 10.371 10.599 1.00 0.28 C ATOM 1764 C MET A 117 -0.053 11.565 11.484 1.00 0.29 C ATOM 1765 O MET A 117 0.589 12.611 11.403 1.00 0.37 O ATOM 1766 CB MET A 117 0.014 10.708 9.133 1.00 0.38 C ATOM 1767 CG MET A 117 0.497 9.625 8.186 1.00 0.48 C ATOM 1768 SD MET A 117 2.282 9.614 7.980 1.00 0.77 S ATOM 1769 CE MET A 117 2.481 11.091 7.001 1.00 0.92 C ATOM 0 H MET A 117 -1.387 9.091 10.435 1.00 0.21 H new ATOM 0 HA MET A 117 1.315 10.113 10.710 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.053 10.869 8.978 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.516 11.645 8.891 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.174 8.653 8.560 1.00 0.48 H new ATOM 0 HG3 MET A 117 0.026 9.765 7.213 1.00 0.48 H new ATOM 0 HE1 MET A 117 2.790 10.820 5.992 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.534 11.630 6.958 1.00 0.92 H new ATOM 0 HE3 MET A 117 3.241 11.728 7.454 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.074 11.393 12.321 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.372 12.348 13.389 1.00 0.34 C ATOM 1781 C ASP A 118 -0.232 12.332 14.382 1.00 0.33 C ATOM 1782 O ASP A 118 0.111 13.341 14.997 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.671 11.974 14.117 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.612 10.602 14.767 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.759 9.595 14.036 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.437 10.522 16.004 1.00 0.76 O ATOM 0 H ASP A 118 -1.712 10.598 12.281 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.494 13.339 12.951 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.882 12.723 14.880 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.499 11.999 13.408 1.00 0.39 H new ATOM 1791 N LYS A 119 0.346 11.160 14.508 1.00 0.23 N ATOM 1792 CA LYS A 119 1.463 10.929 15.398 1.00 0.26 C ATOM 1793 C LYS A 119 2.750 11.461 14.794 1.00 0.28 C ATOM 1794 O LYS A 119 3.054 11.192 13.638 1.00 0.26 O ATOM 1795 CB LYS A 119 1.605 9.430 15.659 1.00 0.29 C ATOM 1796 CG LYS A 119 0.421 8.827 16.382 1.00 0.36 C ATOM 1797 CD LYS A 119 0.560 7.320 16.552 1.00 0.72 C ATOM 1798 CE LYS A 119 1.837 6.929 17.284 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.947 7.571 18.621 1.00 1.17 N ATOM 0 H LYS A 119 0.052 10.331 13.991 1.00 0.23 H new ATOM 0 HA LYS A 119 1.275 11.453 16.335 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.740 8.915 14.708 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.506 9.256 16.247 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.319 9.294 17.362 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.492 9.046 15.828 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.301 6.939 17.102 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.548 6.845 15.571 1.00 0.72 H new ATOM 0 HE2 LYS A 119 1.867 5.846 17.401 1.00 0.87 H new ATOM 0 HE3 LYS A 119 2.699 7.208 16.678 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.284 6.873 19.314 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 2.619 8.363 18.572 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.014 7.926 18.913 1.00 1.17 H new ATOM 1813 N PRO A 120 3.528 12.230 15.567 1.00 0.38 N ATOM 1814 CA PRO A 120 4.851 12.701 15.136 1.00 0.45 C ATOM 1815 C PRO A 120 5.801 11.534 14.878 1.00 0.40 C ATOM 1816 O PRO A 120 6.813 11.672 14.189 1.00 0.45 O ATOM 1817 CB PRO A 120 5.343 13.552 16.311 1.00 0.57 C ATOM 1818 CG PRO A 120 4.497 13.152 17.474 1.00 0.58 C ATOM 1819 CD PRO A 120 3.176 12.721 16.907 1.00 0.48 C ATOM 0 HA PRO A 120 4.806 13.257 14.200 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.399 13.370 16.513 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.238 14.616 16.097 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.963 12.341 18.033 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.370 13.984 18.166 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.713 11.942 17.512 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.469 13.549 16.859 1.00 0.48 H new ATOM 1827 N GLU A 121 5.439 10.375 15.425 1.00 0.35 N ATOM 1828 CA GLU A 121 6.199 9.144 15.243 1.00 0.37 C ATOM 1829 C GLU A 121 6.097 8.666 13.802 1.00 0.30 C ATOM 1830 O GLU A 121 6.928 7.893 13.332 1.00 0.37 O ATOM 1831 CB GLU A 121 5.664 8.042 16.158 1.00 0.48 C ATOM 1832 CG GLU A 121 5.814 8.313 17.644 1.00 0.62 C ATOM 1833 CD GLU A 121 4.991 9.483 18.142 1.00 1.04 C ATOM 1834 OE1 GLU A 121 3.775 9.519 17.868 1.00 1.45 O ATOM 1835 OE2 GLU A 121 5.558 10.373 18.805 1.00 1.40 O ATOM 0 H GLU A 121 4.609 10.265 16.007 1.00 0.35 H new ATOM 0 HA GLU A 121 7.239 9.355 15.491 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.608 7.888 15.937 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.179 7.111 15.920 1.00 0.48 H new ATOM 0 HG2 GLU A 121 5.527 7.419 18.197 1.00 0.62 H new ATOM 0 HG3 GLU A 121 6.865 8.501 17.865 1.00 0.62 H new ATOM 1842 N ALA A 122 5.039 9.124 13.142 1.00 0.24 N ATOM 1843 CA ALA A 122 4.747 8.777 11.746 1.00 0.22 C ATOM 1844 C ALA A 122 5.993 8.761 10.874 1.00 0.21 C ATOM 1845 O ALA A 122 6.727 9.748 10.785 1.00 0.26 O ATOM 1846 CB ALA A 122 3.735 9.746 11.161 1.00 0.27 C ATOM 0 H ALA A 122 4.352 9.752 13.559 1.00 0.24 H new ATOM 0 HA ALA A 122 4.336 7.767 11.755 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.529 9.476 10.125 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.812 9.701 11.739 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.137 10.758 11.198 1.00 0.27 H new ATOM 1852 N ASN A 123 6.218 7.624 10.240 1.00 0.21 N ATOM 1853 CA ASN A 123 7.279 7.480 9.265 1.00 0.23 C ATOM 1854 C ASN A 123 6.682 6.877 8.011 1.00 0.23 C ATOM 1855 O ASN A 123 6.852 5.689 7.730 1.00 0.25 O ATOM 1856 CB ASN A 123 8.367 6.557 9.796 1.00 0.26 C ATOM 1857 CG ASN A 123 9.741 6.900 9.324 1.00 0.42 C ATOM 1858 OD1 ASN A 123 9.827 7.517 8.186 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.730 6.610 9.995 1.00 0.52 N flip ATOM 0 H ASN A 123 5.670 6.777 10.388 1.00 0.21 H new ATOM 0 HA ASN A 123 7.722 8.454 9.056 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.351 6.584 10.886 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.137 5.534 9.499 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.618 6.124 10.885 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.662 6.855 9.662 1.00 0.52 H new ATOM 1866 N PRO A 124 5.964 7.695 7.248 1.00 0.25 N ATOM 1867 CA PRO A 124 5.220 7.236 6.076 1.00 0.32 C ATOM 1868 C PRO A 124 6.101 6.628 5.014 1.00 0.33 C ATOM 1869 O PRO A 124 5.957 5.459 4.683 1.00 0.35 O ATOM 1870 CB PRO A 124 4.568 8.505 5.564 1.00 0.40 C ATOM 1871 CG PRO A 124 5.389 9.617 6.114 1.00 0.32 C ATOM 1872 CD PRO A 124 5.806 9.140 7.466 1.00 0.27 C ATOM 0 HA PRO A 124 4.517 6.443 6.331 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.554 8.528 4.474 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.533 8.578 5.898 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.253 9.823 5.482 1.00 0.32 H new ATOM 0 HG3 PRO A 124 4.814 10.541 6.179 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.735 9.607 7.794 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.054 9.358 8.225 1.00 0.27 H new ATOM 1880 N ASP A 125 7.024 7.428 4.509 1.00 0.37 N ATOM 1881 CA ASP A 125 7.976 6.989 3.487 1.00 0.44 C ATOM 1882 C ASP A 125 8.628 5.676 3.887 1.00 0.34 C ATOM 1883 O ASP A 125 9.009 4.875 3.040 1.00 0.33 O ATOM 1884 CB ASP A 125 9.064 8.040 3.278 1.00 0.61 C ATOM 1885 CG ASP A 125 8.515 9.374 2.829 1.00 0.99 C ATOM 1886 OD1 ASP A 125 8.011 10.138 3.680 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.575 9.663 1.615 1.00 1.13 O ATOM 0 H ASP A 125 7.140 8.401 4.792 1.00 0.37 H new ATOM 0 HA ASP A 125 7.423 6.849 2.558 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.616 8.175 4.208 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.775 7.677 2.536 1.00 0.61 H new ATOM 1892 N ARG A 126 8.715 5.449 5.193 1.00 0.31 N ATOM 1893 CA ARG A 126 9.361 4.250 5.703 1.00 0.31 C ATOM 1894 C ARG A 126 8.434 3.061 5.561 1.00 0.27 C ATOM 1895 O ARG A 126 8.797 2.036 4.993 1.00 0.30 O ATOM 1896 CB ARG A 126 9.743 4.415 7.168 1.00 0.35 C ATOM 1897 CG ARG A 126 10.420 3.187 7.759 1.00 0.51 C ATOM 1898 CD ARG A 126 10.523 3.274 9.270 1.00 1.24 C ATOM 1899 NE ARG A 126 9.207 3.320 9.910 1.00 1.92 N ATOM 1900 CZ ARG A 126 9.012 3.184 11.222 1.00 2.94 C ATOM 1901 NH1 ARG A 126 10.043 2.983 12.031 1.00 3.49 N ATOM 1902 NH2 ARG A 126 7.784 3.251 11.725 1.00 3.79 N ATOM 0 H ARG A 126 8.349 6.075 5.911 1.00 0.31 H new ATOM 0 HA ARG A 126 10.267 4.084 5.121 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.410 5.271 7.267 1.00 0.35 H new ATOM 0 HB3 ARG A 126 8.847 4.640 7.746 1.00 0.35 H new ATOM 0 HG2 ARG A 126 9.858 2.294 7.484 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.417 3.081 7.332 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.078 2.414 9.645 1.00 1.24 H new ATOM 0 HD3 ARG A 126 11.090 4.164 9.544 1.00 1.24 H new ATOM 0 HE ARG A 126 8.390 3.465 9.316 1.00 1.92 H new ATOM 0 HH11 ARG A 126 10.988 2.932 11.650 1.00 3.49 H new ATOM 0 HH12 ARG A 126 9.891 2.879 13.034 1.00 3.49 H new ATOM 0 HH21 ARG A 126 6.988 3.407 11.107 1.00 3.79 H new ATOM 0 HH22 ARG A 126 7.638 3.147 12.729 1.00 3.79 H new ATOM 1916 N VAL A 127 7.234 3.208 6.083 1.00 0.25 N ATOM 1917 CA VAL A 127 6.245 2.141 6.019 1.00 0.28 C ATOM 1918 C VAL A 127 5.823 1.824 4.572 1.00 0.28 C ATOM 1919 O VAL A 127 5.349 0.723 4.283 1.00 0.33 O ATOM 1920 CB VAL A 127 5.031 2.448 6.926 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.525 2.681 8.335 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.218 3.647 6.456 1.00 0.44 C ATOM 0 H VAL A 127 6.916 4.053 6.557 1.00 0.25 H new ATOM 0 HA VAL A 127 6.718 1.238 6.404 1.00 0.28 H new ATOM 0 HB VAL A 127 4.362 1.589 6.883 1.00 0.36 H new ATOM 0 HG11 VAL A 127 4.678 2.899 8.986 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.038 1.788 8.693 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.216 3.524 8.344 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.381 3.808 7.136 1.00 0.44 H new ATOM 0 HG22 VAL A 127 4.852 4.534 6.444 1.00 0.44 H new ATOM 0 HG23 VAL A 127 3.838 3.458 5.452 1.00 0.44 H new ATOM 1932 N MET A 128 6.041 2.769 3.655 1.00 0.27 N ATOM 1933 CA MET A 128 5.841 2.504 2.224 1.00 0.31 C ATOM 1934 C MET A 128 6.942 1.585 1.730 1.00 0.26 C ATOM 1935 O MET A 128 6.727 0.715 0.886 1.00 0.35 O ATOM 1936 CB MET A 128 5.873 3.800 1.410 1.00 0.52 C ATOM 1937 CG MET A 128 5.094 4.925 2.046 1.00 0.81 C ATOM 1938 SD MET A 128 5.292 6.514 1.203 1.00 0.67 S ATOM 1939 CE MET A 128 4.338 6.259 -0.295 1.00 0.46 C ATOM 0 H MET A 128 6.353 3.716 3.872 1.00 0.27 H new ATOM 0 HA MET A 128 4.864 2.038 2.095 1.00 0.31 H new ATOM 0 HB2 MET A 128 6.909 4.113 1.280 1.00 0.52 H new ATOM 0 HB3 MET A 128 5.471 3.606 0.416 1.00 0.52 H new ATOM 0 HG2 MET A 128 4.037 4.660 2.060 1.00 0.81 H new ATOM 0 HG3 MET A 128 5.410 5.032 3.084 1.00 0.81 H new ATOM 0 HE1 MET A 128 4.941 6.530 -1.161 1.00 0.46 H new ATOM 0 HE2 MET A 128 4.049 5.211 -0.368 1.00 0.46 H new ATOM 0 HE3 MET A 128 3.443 6.881 -0.267 1.00 0.46 H new ATOM 1949 N GLN A 129 8.127 1.789 2.289 1.00 0.24 N ATOM 1950 CA GLN A 129 9.303 0.987 1.941 1.00 0.27 C ATOM 1951 C GLN A 129 9.130 -0.458 2.392 1.00 0.30 C ATOM 1952 O GLN A 129 9.585 -1.386 1.725 1.00 0.33 O ATOM 1953 CB GLN A 129 10.570 1.580 2.558 1.00 0.32 C ATOM 1954 CG GLN A 129 11.105 2.794 1.819 1.00 0.42 C ATOM 1955 CD GLN A 129 12.233 3.480 2.570 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.008 4.394 3.365 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.454 3.031 2.339 1.00 1.31 N ATOM 0 H GLN A 129 8.305 2.507 2.991 1.00 0.24 H new ATOM 0 HA GLN A 129 9.404 1.002 0.856 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.363 1.858 3.591 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.343 0.812 2.583 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.461 2.489 0.835 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.294 3.505 1.659 1.00 0.42 H new ATOM 0 HE21 GLN A 129 13.601 2.272 1.673 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.250 3.443 2.826 1.00 1.31 H new ATOM 1966 N GLU A 130 8.469 -0.644 3.526 1.00 0.37 N ATOM 1967 CA GLU A 130 8.165 -1.980 4.031 1.00 0.43 C ATOM 1968 C GLU A 130 7.368 -2.752 2.997 1.00 0.36 C ATOM 1969 O GLU A 130 7.698 -3.885 2.630 1.00 0.35 O ATOM 1970 CB GLU A 130 7.344 -1.883 5.310 1.00 0.61 C ATOM 1971 CG GLU A 130 7.865 -0.851 6.281 1.00 0.63 C ATOM 1972 CD GLU A 130 9.258 -1.171 6.780 1.00 1.04 C ATOM 1973 OE1 GLU A 130 9.419 -2.195 7.472 1.00 1.63 O ATOM 1974 OE2 GLU A 130 10.191 -0.400 6.495 1.00 1.64 O ATOM 0 H GLU A 130 8.131 0.115 4.117 1.00 0.37 H new ATOM 0 HA GLU A 130 9.104 -2.495 4.237 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.313 -1.641 5.053 1.00 0.61 H new ATOM 0 HB3 GLU A 130 7.331 -2.857 5.799 1.00 0.61 H new ATOM 0 HG2 GLU A 130 7.872 0.126 5.798 1.00 0.63 H new ATOM 0 HG3 GLU A 130 7.186 -0.782 7.131 1.00 0.63 H new ATOM 1981 N LEU A 131 6.317 -2.113 2.510 1.00 0.36 N ATOM 1982 CA LEU A 131 5.449 -2.738 1.542 1.00 0.37 C ATOM 1983 C LEU A 131 6.186 -2.999 0.243 1.00 0.29 C ATOM 1984 O LEU A 131 5.951 -4.011 -0.406 1.00 0.32 O ATOM 1985 CB LEU A 131 4.219 -1.877 1.301 1.00 0.49 C ATOM 1986 CG LEU A 131 3.065 -2.098 2.282 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.496 -1.874 3.714 1.00 1.36 C ATOM 1988 CD2 LEU A 131 1.938 -1.162 1.958 1.00 1.18 C ATOM 0 H LEU A 131 6.050 -1.164 2.772 1.00 0.36 H new ATOM 0 HA LEU A 131 5.125 -3.699 1.942 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.515 -0.829 1.344 1.00 0.49 H new ATOM 0 HB3 LEU A 131 3.856 -2.065 0.290 1.00 0.49 H new ATOM 0 HG LEU A 131 2.740 -3.133 2.180 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.649 -2.041 4.379 1.00 1.36 H new ATOM 0 HD12 LEU A 131 4.297 -2.569 3.966 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.853 -0.851 3.831 1.00 1.36 H new ATOM 0 HD21 LEU A 131 1.119 -1.323 2.659 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.286 -0.132 2.037 1.00 1.18 H new ATOM 0 HD23 LEU A 131 1.589 -1.350 0.943 1.00 1.18 H new ATOM 2000 N MET A 132 7.110 -2.116 -0.121 1.00 0.25 N ATOM 2001 CA MET A 132 7.829 -2.291 -1.373 1.00 0.26 C ATOM 2002 C MET A 132 8.836 -3.430 -1.260 1.00 0.30 C ATOM 2003 O MET A 132 9.383 -3.883 -2.261 1.00 0.37 O ATOM 2004 CB MET A 132 8.531 -1.013 -1.838 1.00 0.32 C ATOM 2005 CG MET A 132 9.860 -0.745 -1.151 1.00 0.88 C ATOM 2006 SD MET A 132 10.726 0.683 -1.833 1.00 1.60 S ATOM 2007 CE MET A 132 10.774 0.253 -3.570 1.00 1.61 C ATOM 0 H MET A 132 7.373 -1.292 0.419 1.00 0.25 H new ATOM 0 HA MET A 132 7.082 -2.540 -2.127 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.697 -1.074 -2.914 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.868 -0.165 -1.665 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.688 -0.585 -0.087 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.495 -1.626 -1.242 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.614 0.758 -4.047 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.892 -0.826 -3.675 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.845 0.564 -4.048 1.00 1.61 H new ATOM 2017 N GLU A 133 9.064 -3.901 -0.040 1.00 0.32 N ATOM 2018 CA GLU A 133 9.902 -5.066 0.163 1.00 0.40 C ATOM 2019 C GLU A 133 9.083 -6.305 -0.133 1.00 0.38 C ATOM 2020 O GLU A 133 9.606 -7.331 -0.559 1.00 0.45 O ATOM 2021 CB GLU A 133 10.466 -5.105 1.577 1.00 0.54 C ATOM 2022 CG GLU A 133 11.473 -4.006 1.853 1.00 0.79 C ATOM 2023 CD GLU A 133 12.278 -4.255 3.108 1.00 1.07 C ATOM 2024 OE1 GLU A 133 13.121 -5.173 3.110 1.00 1.67 O ATOM 2025 OE2 GLU A 133 12.072 -3.527 4.104 1.00 1.53 O ATOM 0 H GLU A 133 8.682 -3.495 0.814 1.00 0.32 H new ATOM 0 HA GLU A 133 10.756 -5.020 -0.513 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.646 -5.024 2.290 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.939 -6.072 1.745 1.00 0.54 H new ATOM 0 HG2 GLU A 133 12.150 -3.917 1.003 1.00 0.79 H new ATOM 0 HG3 GLU A 133 10.950 -3.054 1.944 1.00 0.79 H new ATOM 2032 N TYR A 134 7.781 -6.185 0.082 1.00 0.35 N ATOM 2033 CA TYR A 134 6.833 -7.177 -0.396 1.00 0.40 C ATOM 2034 C TYR A 134 6.361 -6.794 -1.802 1.00 0.41 C ATOM 2035 O TYR A 134 5.289 -7.199 -2.261 1.00 0.50 O ATOM 2036 CB TYR A 134 5.672 -7.291 0.576 1.00 0.46 C ATOM 2037 CG TYR A 134 6.102 -7.754 1.952 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.764 -8.963 2.134 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.829 -6.986 3.078 1.00 0.88 C ATOM 2040 CE1 TYR A 134 7.139 -9.391 3.392 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.198 -7.410 4.339 1.00 0.95 C ATOM 2042 CZ TYR A 134 6.929 -8.596 4.474 1.00 0.80 C ATOM 2043 OH TYR A 134 7.223 -9.045 5.746 1.00 0.95 O ATOM 0 H TYR A 134 7.357 -5.407 0.587 1.00 0.35 H new ATOM 0 HA TYR A 134 7.312 -8.154 -0.454 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.179 -6.323 0.661 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.937 -7.989 0.176 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.989 -9.579 1.276 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.319 -6.041 2.964 1.00 0.88 H new ATOM 0 HE1 TYR A 134 7.600 -10.360 3.516 1.00 1.08 H new ATOM 0 HE2 TYR A 134 5.926 -6.834 5.211 1.00 0.95 H new ATOM 0 HH TYR A 134 7.011 -8.344 6.397 1.00 0.95 H new ATOM 2053 N ASN A 135 7.209 -6.002 -2.463 1.00 0.36 N ATOM 2054 CA ASN A 135 6.989 -5.495 -3.815 1.00 0.43 C ATOM 2055 C ASN A 135 5.633 -4.812 -3.948 1.00 0.48 C ATOM 2056 O ASN A 135 4.804 -5.173 -4.781 1.00 0.64 O ATOM 2057 CB ASN A 135 7.153 -6.609 -4.850 1.00 0.58 C ATOM 2058 CG ASN A 135 7.247 -6.082 -6.264 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.680 -4.950 -6.499 1.00 0.89 O ATOM 2060 ND2 ASN A 135 6.865 -6.906 -7.219 1.00 1.10 N ATOM 0 H ASN A 135 8.092 -5.688 -2.059 1.00 0.36 H new ATOM 0 HA ASN A 135 7.750 -4.739 -4.010 1.00 0.43 H new ATOM 0 HB2 ASN A 135 8.050 -7.184 -4.620 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.308 -7.294 -4.777 1.00 0.58 H new ATOM 0 HD21 ASN A 135 6.921 -6.616 -8.195 1.00 1.10 H new ATOM 0 HD22 ASN A 135 6.513 -7.833 -6.982 1.00 1.10 H new ATOM 2067 N LEU A 136 5.409 -3.850 -3.074 1.00 0.44 N ATOM 2068 CA LEU A 136 4.289 -2.949 -3.174 1.00 0.54 C ATOM 2069 C LEU A 136 4.801 -1.541 -3.341 1.00 0.41 C ATOM 2070 O LEU A 136 5.169 -0.879 -2.369 1.00 0.47 O ATOM 2071 CB LEU A 136 3.440 -3.049 -1.937 1.00 0.78 C ATOM 2072 CG LEU A 136 2.742 -4.379 -1.754 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.184 -4.483 -0.349 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.649 -4.529 -2.800 1.00 1.17 C ATOM 0 H LEU A 136 6.009 -3.674 -2.268 1.00 0.44 H new ATOM 0 HA LEU A 136 3.679 -3.216 -4.037 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.068 -2.861 -1.066 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.688 -2.260 -1.964 1.00 0.78 H new ATOM 0 HG LEU A 136 3.456 -5.191 -1.889 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.683 -5.443 -0.226 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.997 -4.403 0.372 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.469 -3.677 -0.181 1.00 1.36 H new ATOM 0 HD21 LEU A 136 1.147 -5.487 -2.667 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.925 -3.722 -2.688 1.00 1.17 H new ATOM 0 HD23 LEU A 136 2.090 -4.486 -3.796 1.00 1.17 H new ATOM 2086 N VAL A 137 4.835 -1.083 -4.569 1.00 0.31 N ATOM 2087 CA VAL A 137 5.474 0.179 -4.863 1.00 0.27 C ATOM 2088 C VAL A 137 4.455 1.287 -5.003 1.00 0.29 C ATOM 2089 O VAL A 137 3.555 1.224 -5.846 1.00 0.33 O ATOM 2090 CB VAL A 137 6.330 0.121 -6.132 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.070 1.437 -6.324 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.292 -1.052 -6.069 1.00 0.41 C ATOM 0 H VAL A 137 4.432 -1.560 -5.376 1.00 0.31 H new ATOM 0 HA VAL A 137 6.130 0.389 -4.018 1.00 0.27 H new ATOM 0 HB VAL A 137 5.680 -0.030 -6.994 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.676 1.385 -7.229 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.349 2.250 -6.416 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.716 1.620 -5.465 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.893 -1.079 -6.978 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.947 -0.940 -5.205 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.728 -1.981 -5.979 1.00 0.41 H new ATOM 2102 N PRO A 138 4.577 2.288 -4.129 1.00 0.34 N ATOM 2103 CA PRO A 138 3.810 3.512 -4.180 1.00 0.43 C ATOM 2104 C PRO A 138 3.682 4.066 -5.583 1.00 0.43 C ATOM 2105 O PRO A 138 4.610 4.003 -6.393 1.00 0.45 O ATOM 2106 CB PRO A 138 4.633 4.469 -3.331 1.00 0.53 C ATOM 2107 CG PRO A 138 5.325 3.612 -2.340 1.00 0.54 C ATOM 2108 CD PRO A 138 5.459 2.254 -2.965 1.00 0.39 C ATOM 0 HA PRO A 138 2.788 3.358 -3.835 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.348 5.022 -3.941 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.997 5.205 -2.839 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.304 4.022 -2.090 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.756 3.557 -1.412 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.490 2.053 -3.256 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.165 1.468 -2.269 1.00 0.39 H new ATOM 2116 N GLU A 139 2.533 4.629 -5.838 1.00 0.48 N ATOM 2117 CA GLU A 139 2.241 5.240 -7.128 1.00 0.56 C ATOM 2118 C GLU A 139 3.004 6.543 -7.271 1.00 0.56 C ATOM 2119 O GLU A 139 3.230 7.028 -8.376 1.00 0.64 O ATOM 2120 CB GLU A 139 0.743 5.469 -7.298 1.00 0.71 C ATOM 2121 CG GLU A 139 0.057 4.386 -8.109 1.00 1.35 C ATOM 2122 CD GLU A 139 0.501 4.396 -9.554 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.596 3.881 -9.849 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.254 4.904 -10.408 1.00 2.78 O ATOM 0 H GLU A 139 1.767 4.683 -5.167 1.00 0.48 H new ATOM 0 HA GLU A 139 2.564 4.558 -7.914 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.278 5.526 -6.314 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.583 6.432 -7.782 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.273 3.412 -7.670 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -1.023 4.525 -8.060 1.00 1.35 H new ATOM 2131 N GLU A 140 3.409 7.089 -6.137 1.00 0.54 N ATOM 2132 CA GLU A 140 4.296 8.238 -6.109 1.00 0.60 C ATOM 2133 C GLU A 140 5.686 7.844 -6.602 1.00 0.56 C ATOM 2134 O GLU A 140 6.452 8.691 -7.056 1.00 0.65 O ATOM 2135 CB GLU A 140 4.383 8.837 -4.694 1.00 0.67 C ATOM 2136 CG GLU A 140 4.140 7.846 -3.569 1.00 0.63 C ATOM 2137 CD GLU A 140 2.665 7.555 -3.362 1.00 1.12 C ATOM 2138 OE1 GLU A 140 1.946 8.451 -2.888 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.223 6.441 -3.711 1.00 1.57 O ATOM 0 H GLU A 140 3.134 6.750 -5.215 1.00 0.54 H new ATOM 0 HA GLU A 140 3.886 8.998 -6.774 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.370 9.281 -4.562 1.00 0.67 H new ATOM 0 HB3 GLU A 140 3.656 9.645 -4.611 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.664 6.916 -3.789 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.563 8.239 -2.645 1.00 0.63 H new ATOM 2146 N TRP A 141 6.000 6.552 -6.518 1.00 0.47 N ATOM 2147 CA TRP A 141 7.297 6.055 -6.926 1.00 0.49 C ATOM 2148 C TRP A 141 7.195 5.354 -8.276 1.00 0.51 C ATOM 2149 O TRP A 141 8.205 5.098 -8.936 1.00 0.66 O ATOM 2150 CB TRP A 141 7.844 5.113 -5.876 1.00 0.45 C ATOM 2151 CG TRP A 141 7.926 5.701 -4.494 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.666 6.991 -4.108 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.290 5.003 -3.309 1.00 0.44 C ATOM 2154 NE1 TRP A 141 7.834 7.122 -2.753 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.223 5.915 -2.239 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.663 3.690 -3.053 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.517 5.546 -0.928 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 8.954 3.323 -1.756 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.878 4.246 -0.705 1.00 0.52 C ATOM 0 H TRP A 141 5.365 5.834 -6.168 1.00 0.47 H new ATOM 0 HA TRP A 141 7.982 6.897 -7.029 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.216 4.223 -5.842 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.840 4.789 -6.179 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.372 7.788 -4.774 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.692 7.978 -2.217 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.724 2.969 -3.855 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.462 6.259 -0.119 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.246 2.305 -1.547 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.109 3.925 0.300 1.00 0.52 H new ATOM 2170 N GLY A 142 5.971 5.030 -8.674 1.00 0.45 N ATOM 2171 CA GLY A 142 5.737 4.480 -9.994 1.00 0.50 C ATOM 2172 C GLY A 142 5.542 2.972 -10.003 1.00 0.45 C ATOM 2173 O GLY A 142 5.766 2.326 -11.027 1.00 0.53 O ATOM 0 H GLY A 142 5.133 5.139 -8.103 1.00 0.45 H new ATOM 0 HA2 GLY A 142 4.855 4.954 -10.424 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.580 4.732 -10.637 1.00 0.50 H new ATOM 2177 N GLY A 143 5.131 2.398 -8.875 1.00 0.39 N ATOM 2178 CA GLY A 143 4.885 0.964 -8.833 1.00 0.41 C ATOM 2179 C GLY A 143 3.489 0.604 -9.286 1.00 0.45 C ATOM 2180 O GLY A 143 3.186 0.663 -10.478 1.00 0.60 O ATOM 0 H GLY A 143 4.965 2.892 -7.998 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.612 0.455 -9.466 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.039 0.602 -7.817 1.00 0.41 H new ATOM 2184 N ASP A 144 2.640 0.213 -8.341 1.00 0.40 N ATOM 2185 CA ASP A 144 1.231 -0.017 -8.627 1.00 0.45 C ATOM 2186 C ASP A 144 0.407 -0.083 -7.342 1.00 0.33 C ATOM 2187 O ASP A 144 -0.283 -1.072 -7.037 1.00 0.35 O ATOM 2188 CB ASP A 144 1.033 -1.290 -9.472 1.00 0.64 C ATOM 2189 CG ASP A 144 1.649 -2.538 -8.862 1.00 1.33 C ATOM 2190 OD1 ASP A 144 2.879 -2.715 -8.982 1.00 1.91 O ATOM 2191 OD2 ASP A 144 0.907 -3.369 -8.298 1.00 1.91 O ATOM 0 H ASP A 144 2.905 0.049 -7.370 1.00 0.40 H new ATOM 0 HA ASP A 144 0.873 0.832 -9.210 1.00 0.45 H new ATOM 0 HB2 ASP A 144 -0.035 -1.457 -9.615 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.465 -1.129 -10.460 1.00 0.64 H new ATOM 2196 N THR A 145 0.435 1.020 -6.618 1.00 0.26 N ATOM 2197 CA THR A 145 -0.325 1.169 -5.394 1.00 0.24 C ATOM 2198 C THR A 145 -0.411 2.636 -5.004 1.00 0.27 C ATOM 2199 O THR A 145 0.599 3.238 -4.646 1.00 0.37 O ATOM 2200 CB THR A 145 0.314 0.392 -4.223 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.301 -1.017 -4.486 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.424 0.684 -2.929 1.00 0.30 C ATOM 0 H THR A 145 0.988 1.841 -6.865 1.00 0.26 H new ATOM 0 HA THR A 145 -1.319 0.765 -5.586 1.00 0.24 H new ATOM 0 HB THR A 145 1.349 0.719 -4.121 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.234 -1.195 -5.288 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.039 0.129 -2.113 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.375 1.752 -2.715 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.466 0.382 -3.028 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.597 3.215 -5.081 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.792 4.559 -4.586 1.00 0.28 C ATOM 2212 C ILE A 146 -1.662 4.553 -3.071 1.00 0.23 C ATOM 2213 O ILE A 146 -2.535 4.058 -2.356 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.164 5.134 -5.000 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.176 5.518 -6.482 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.524 6.332 -4.137 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.344 6.742 -6.795 1.00 0.63 C ATOM 0 H ILE A 146 -2.429 2.778 -5.478 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.029 5.200 -5.027 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.914 4.358 -4.846 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -2.807 4.678 -7.070 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.205 5.698 -6.794 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.494 6.723 -4.444 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.570 6.027 -3.092 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.766 7.107 -4.256 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.398 6.956 -7.862 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.726 7.595 -6.234 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.307 6.559 -6.514 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.541 5.055 -2.600 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.280 5.147 -1.179 1.00 0.30 C ATOM 2231 C PHE A 147 -0.855 6.439 -0.615 1.00 0.32 C ATOM 2232 O PHE A 147 -0.406 7.531 -0.956 1.00 0.50 O ATOM 2233 CB PHE A 147 1.212 5.135 -0.919 1.00 0.41 C ATOM 2234 CG PHE A 147 1.790 3.776 -0.688 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.909 2.881 -1.726 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.223 3.405 0.568 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.453 1.632 -1.519 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.766 2.155 0.786 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.883 1.267 -0.261 1.00 0.33 C ATOM 0 H PHE A 147 0.213 5.410 -3.188 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.750 4.291 -0.695 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.720 5.592 -1.768 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.421 5.758 -0.049 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.573 3.160 -2.714 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.136 4.100 1.390 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.543 0.939 -2.342 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.098 1.874 1.774 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.310 0.289 -0.097 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.841 6.322 0.242 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.421 7.487 0.874 1.00 0.27 C ATOM 2251 C CYS A 148 -1.877 7.662 2.284 1.00 0.31 C ATOM 2252 O CYS A 148 -2.120 6.842 3.156 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.939 7.363 0.902 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.695 7.274 -0.738 1.00 0.68 S ATOM 0 H CYS A 148 -2.259 5.434 0.519 1.00 0.26 H new ATOM 0 HA CYS A 148 -2.149 8.368 0.293 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -4.211 6.471 1.466 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -4.354 8.217 1.437 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.170 8.440 -1.061 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.130 8.730 2.492 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.536 9.019 3.797 1.00 0.28 C ATOM 2262 C LYS A 149 -1.540 9.776 4.659 1.00 0.28 C ATOM 2263 O LYS A 149 -1.734 10.980 4.482 1.00 0.40 O ATOM 2264 CB LYS A 149 0.740 9.846 3.606 1.00 0.36 C ATOM 2265 CG LYS A 149 1.739 9.196 2.660 1.00 0.56 C ATOM 2266 CD LYS A 149 2.902 10.119 2.333 1.00 0.89 C ATOM 2267 CE LYS A 149 3.841 9.481 1.321 1.00 1.01 C ATOM 2268 NZ LYS A 149 4.968 10.378 0.956 1.00 1.44 N ATOM 0 H LYS A 149 -0.915 9.420 1.772 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.278 8.086 4.299 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.473 10.831 3.222 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.214 10.000 4.575 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.120 8.279 3.110 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.232 8.912 1.738 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.522 11.061 1.938 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.451 10.354 3.245 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.237 8.552 1.731 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.281 9.220 0.423 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.581 9.901 0.264 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 4.593 11.255 0.540 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.519 10.607 1.808 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.192 9.075 5.576 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.285 9.659 6.321 1.00 0.22 C ATOM 2284 C LEU A 150 -3.199 9.405 7.821 1.00 0.19 C ATOM 2285 O LEU A 150 -2.239 8.869 8.356 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.616 9.111 5.798 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.877 7.621 5.966 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.659 7.326 7.234 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.605 7.081 4.747 1.00 0.84 C ATOM 0 H LEU A 150 -1.981 8.107 5.817 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.219 10.737 6.173 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.421 9.652 6.296 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.683 9.347 4.736 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.914 7.119 6.057 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.825 6.252 7.318 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.095 7.674 8.099 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.620 7.840 7.197 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.788 6.014 4.875 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.556 7.601 4.631 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.994 7.240 3.858 1.00 0.84 H new ATOM 2301 N SER A 151 -4.259 9.796 8.459 1.00 0.26 N ATOM 2302 CA SER A 151 -4.513 9.548 9.853 1.00 0.29 C ATOM 2303 C SER A 151 -5.994 9.703 10.048 1.00 0.25 C ATOM 2304 O SER A 151 -6.547 10.772 9.780 1.00 0.29 O ATOM 2305 CB SER A 151 -3.782 10.501 10.774 1.00 0.46 C ATOM 2306 OG SER A 151 -4.293 10.399 12.088 1.00 1.77 O ATOM 0 H SER A 151 -5.007 10.321 8.006 1.00 0.26 H new ATOM 0 HA SER A 151 -4.153 8.551 10.107 1.00 0.29 H new ATOM 0 HB2 SER A 151 -2.716 10.274 10.772 1.00 0.46 H new ATOM 0 HB3 SER A 151 -3.891 11.523 10.412 1.00 0.46 H new ATOM 0 HG SER A 151 -3.657 9.908 12.649 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.650 8.639 10.437 1.00 0.28 N ATOM 2313 CA ALA A 152 -8.057 8.723 10.751 1.00 0.31 C ATOM 2314 C ALA A 152 -8.230 9.490 12.047 1.00 0.33 C ATOM 2315 O ALA A 152 -9.311 9.979 12.358 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.665 7.345 10.846 1.00 0.41 C ATOM 0 H ALA A 152 -6.239 7.712 10.544 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.578 9.253 9.953 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.725 7.431 11.083 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.547 6.829 9.893 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -8.162 6.779 11.630 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.129 9.601 12.777 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.095 10.368 14.001 1.00 0.34 C ATOM 2324 C LYS A 153 -7.208 11.864 13.703 1.00 0.36 C ATOM 2325 O LYS A 153 -8.084 12.540 14.243 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.809 10.071 14.740 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.967 9.913 16.237 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.240 11.243 16.915 1.00 1.12 C ATOM 2329 CE LYS A 153 -6.104 11.135 18.424 1.00 1.65 C ATOM 2330 NZ LYS A 153 -6.343 12.441 19.091 1.00 2.30 N ATOM 0 H LYS A 153 -6.241 9.162 12.534 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.943 10.085 14.625 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.375 9.157 14.335 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.099 10.875 14.545 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.785 9.223 16.446 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.062 9.471 16.654 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -5.546 11.994 16.539 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.244 11.582 16.662 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -6.813 10.398 18.802 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -5.106 10.775 18.675 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -6.242 12.329 20.120 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -5.651 13.137 18.749 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -7.304 12.772 18.872 1.00 2.30 H new ATOM 2344 N THR A 154 -6.333 12.386 12.839 1.00 0.30 N ATOM 2345 CA THR A 154 -6.406 13.800 12.471 1.00 0.39 C ATOM 2346 C THR A 154 -7.468 14.051 11.413 1.00 0.36 C ATOM 2347 O THR A 154 -7.829 15.200 11.142 1.00 0.41 O ATOM 2348 CB THR A 154 -5.057 14.347 11.965 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.398 13.361 11.164 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.170 14.767 13.125 1.00 0.70 C ATOM 0 H THR A 154 -5.581 11.863 12.390 1.00 0.30 H new ATOM 0 HA THR A 154 -6.674 14.328 13.386 1.00 0.39 H new ATOM 0 HB THR A 154 -5.251 15.229 11.354 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.542 13.717 10.845 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.224 15.149 12.740 1.00 0.70 H new ATOM 0 HG22 THR A 154 -4.669 15.546 13.701 1.00 0.70 H new ATOM 0 HG23 THR A 154 -3.979 13.907 13.767 1.00 0.70 H new ATOM 2358 N LYS A 155 -7.960 12.960 10.819 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.003 13.031 9.798 1.00 0.32 C ATOM 2360 C LYS A 155 -8.475 13.692 8.541 1.00 0.34 C ATOM 2361 O LYS A 155 -9.163 14.483 7.901 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.223 13.797 10.311 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.165 12.953 11.135 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.663 11.779 10.321 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.980 11.255 10.857 1.00 0.61 C ATOM 2366 NZ LYS A 155 -14.021 12.318 10.858 1.00 1.36 N ATOM 0 H LYS A 155 -7.649 12.012 11.031 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.307 12.011 9.563 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -9.885 14.641 10.912 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -10.767 14.209 9.461 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.656 12.595 12.030 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.009 13.557 11.469 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.786 12.081 9.281 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.919 10.982 10.336 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.315 10.415 10.249 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.839 10.879 11.870 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.956 11.888 10.710 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -14.009 12.815 11.772 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.826 12.995 10.093 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.261 13.337 8.176 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.582 14.005 7.079 1.00 0.33 C ATOM 2382 C GLU A 156 -6.736 13.200 5.785 1.00 0.28 C ATOM 2383 O GLU A 156 -7.402 13.612 4.822 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.106 14.220 7.490 1.00 0.40 C ATOM 2385 CG GLU A 156 -4.059 13.866 6.445 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.927 14.899 5.345 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.501 16.031 5.644 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -4.232 14.575 4.177 1.00 2.48 O ATOM 0 H GLU A 156 -6.723 12.592 8.619 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.026 14.979 6.876 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -4.976 15.267 7.764 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -4.910 13.629 8.385 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -3.094 13.745 6.936 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -4.313 12.904 6.000 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.182 12.016 5.794 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.122 11.244 4.597 1.00 0.28 C ATOM 2397 C GLY A 157 -7.359 10.416 4.362 1.00 0.27 C ATOM 2398 O GLY A 157 -7.408 9.665 3.402 1.00 0.29 O ATOM 0 H GLY A 157 -5.770 11.574 6.616 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.973 11.912 3.749 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.255 10.585 4.640 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.352 10.517 5.237 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.582 9.779 5.037 1.00 0.28 C ATOM 2404 C LEU A 158 -10.333 10.380 3.871 1.00 0.30 C ATOM 2405 O LEU A 158 -10.852 9.668 3.014 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.449 9.789 6.296 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.928 8.934 7.450 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.954 8.887 8.570 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.598 7.529 6.973 1.00 0.80 C ATOM 0 H LEU A 158 -8.327 11.094 6.078 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.338 8.739 4.820 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.547 10.818 6.642 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.449 9.445 6.032 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.013 9.387 7.830 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.573 8.275 9.387 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.145 9.897 8.932 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.882 8.455 8.196 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.229 6.938 7.811 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.496 7.062 6.567 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.833 7.578 6.198 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.352 11.702 3.828 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.974 12.400 2.725 1.00 0.38 C ATOM 2423 C ASP A 159 -10.048 12.375 1.517 1.00 0.32 C ATOM 2424 O ASP A 159 -10.507 12.262 0.377 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.327 13.839 3.110 1.00 0.50 C ATOM 2426 CG ASP A 159 -12.139 14.544 2.037 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -13.368 14.302 1.957 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -11.564 15.351 1.280 1.00 2.20 O ATOM 0 H ASP A 159 -9.945 12.307 4.542 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.904 11.892 2.471 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -11.890 13.835 4.043 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -10.410 14.398 3.294 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.734 12.440 1.766 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.766 12.355 0.675 1.00 0.30 C ATOM 2435 C HIS A 160 -7.737 10.947 0.071 1.00 0.28 C ATOM 2436 O HIS A 160 -7.380 10.767 -1.095 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.369 12.759 1.159 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.340 12.759 0.069 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.232 13.767 -0.863 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.383 11.860 -0.237 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.249 13.483 -1.700 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.717 12.331 -1.343 1.00 0.54 N ATOM 0 H HIS A 160 -8.327 12.549 2.695 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.078 13.051 -0.104 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.419 13.754 1.602 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.053 12.075 1.947 1.00 0.34 H new ATOM 0 HD1 HIS A 160 -5.818 14.601 -0.901 1.00 0.52 H new ATOM 0 HD2 HIS A 160 -4.178 10.940 0.290 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.935 14.092 -2.535 1.00 0.58 H new ATOM 2451 N LEU A 161 -8.109 9.953 0.868 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.209 8.578 0.396 1.00 0.28 C ATOM 2453 C LEU A 161 -9.252 8.494 -0.695 1.00 0.29 C ATOM 2454 O LEU A 161 -8.990 8.009 -1.796 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.602 7.653 1.551 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.685 6.163 1.219 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.321 5.621 0.832 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.253 5.388 2.401 1.00 1.16 C ATOM 0 H LEU A 161 -8.348 10.076 1.852 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.242 8.265 0.003 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.881 7.785 2.358 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.571 7.974 1.934 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.354 6.038 0.368 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.404 4.559 0.600 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -6.952 6.156 -0.043 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.626 5.758 1.661 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.306 4.329 2.150 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.607 5.523 3.269 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.252 5.757 2.631 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.434 8.995 -0.370 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.544 9.043 -1.308 1.00 0.37 C ATOM 2472 C LEU A 162 -11.117 9.763 -2.569 1.00 0.38 C ATOM 2473 O LEU A 162 -11.402 9.309 -3.671 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.724 9.778 -0.682 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.976 9.446 0.782 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -14.091 10.309 1.344 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.305 7.968 0.956 1.00 1.51 C ATOM 0 H LEU A 162 -10.650 9.379 0.550 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.843 8.024 -1.553 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -12.556 10.851 -0.773 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.623 9.546 -1.253 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.063 9.659 1.337 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -14.255 10.055 2.391 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -13.813 11.360 1.264 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -15.007 10.132 0.780 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.481 7.756 2.011 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.200 7.724 0.383 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -12.470 7.365 0.599 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.416 10.885 -2.377 1.00 0.37 N ATOM 2490 CA GLU A 163 -9.874 11.667 -3.494 1.00 0.44 C ATOM 2491 C GLU A 163 -9.174 10.770 -4.505 1.00 0.41 C ATOM 2492 O GLU A 163 -9.486 10.793 -5.695 1.00 0.50 O ATOM 2493 CB GLU A 163 -8.867 12.717 -3.011 1.00 0.56 C ATOM 2494 CG GLU A 163 -9.468 13.893 -2.260 1.00 1.03 C ATOM 2495 CD GLU A 163 -8.434 14.968 -1.982 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -8.227 15.845 -2.844 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -7.833 14.953 -0.885 1.00 2.57 O ATOM 0 H GLU A 163 -10.210 11.273 -1.456 1.00 0.37 H new ATOM 0 HA GLU A 163 -10.724 12.164 -3.962 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.138 12.228 -2.365 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.322 13.098 -3.874 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -10.286 14.317 -2.842 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -9.893 13.545 -1.319 1.00 1.03 H new ATOM 2504 N MET A 164 -8.233 9.973 -4.022 1.00 0.37 N ATOM 2505 CA MET A 164 -7.436 9.125 -4.895 1.00 0.39 C ATOM 2506 C MET A 164 -8.262 7.964 -5.433 1.00 0.37 C ATOM 2507 O MET A 164 -8.145 7.597 -6.602 1.00 0.43 O ATOM 2508 CB MET A 164 -6.207 8.598 -4.155 1.00 0.43 C ATOM 2509 CG MET A 164 -5.248 9.680 -3.663 1.00 0.64 C ATOM 2510 SD MET A 164 -4.428 10.580 -5.001 1.00 0.58 S ATOM 2511 CE MET A 164 -5.695 11.746 -5.502 1.00 0.53 C ATOM 0 H MET A 164 -8.003 9.896 -3.031 1.00 0.37 H new ATOM 0 HA MET A 164 -7.106 9.730 -5.739 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.539 8.009 -3.300 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.664 7.922 -4.816 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.799 10.388 -3.044 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.491 9.221 -3.027 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.262 12.743 -5.578 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.099 11.451 -6.471 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.496 11.753 -4.762 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.102 7.399 -4.578 1.00 0.34 N ATOM 2522 CA ILE A 165 -9.962 6.291 -4.968 1.00 0.38 C ATOM 2523 C ILE A 165 -10.901 6.691 -6.109 1.00 0.44 C ATOM 2524 O ILE A 165 -11.000 5.985 -7.115 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.802 5.794 -3.777 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.903 5.139 -2.725 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.868 4.824 -4.254 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.647 4.667 -1.494 1.00 0.50 C ATOM 0 H ILE A 165 -9.207 7.691 -3.606 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.309 5.487 -5.308 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.297 6.649 -3.317 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.391 4.289 -3.177 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.135 5.851 -2.423 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.455 4.480 -3.402 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.523 5.325 -4.967 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.393 3.969 -4.736 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -9.944 4.214 -0.795 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.137 5.516 -1.017 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.397 3.930 -1.782 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.591 7.820 -5.955 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.542 8.259 -6.969 1.00 0.57 C ATOM 2542 C LEU A 166 -11.830 8.727 -8.219 1.00 0.61 C ATOM 2543 O LEU A 166 -12.350 8.598 -9.320 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.486 9.353 -6.439 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.842 10.602 -5.826 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -12.486 11.626 -6.897 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.775 11.220 -4.794 1.00 1.38 C ATOM 0 H LEU A 166 -11.510 8.439 -5.148 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.155 7.395 -7.226 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.127 9.673 -7.261 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -14.134 8.904 -5.686 1.00 0.66 H new ATOM 0 HG LEU A 166 -11.918 10.298 -5.335 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -12.032 12.499 -6.429 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -11.782 11.185 -7.603 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -13.390 11.928 -7.427 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -13.307 12.106 -4.365 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -14.713 11.501 -5.273 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -13.974 10.496 -4.004 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.646 9.283 -8.040 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.791 9.626 -9.165 1.00 0.64 C ATOM 2561 C LEU A 167 -9.595 8.391 -10.027 1.00 0.66 C ATOM 2562 O LEU A 167 -9.812 8.422 -11.233 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.441 10.165 -8.663 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.580 10.925 -9.685 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.907 9.974 -10.664 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -8.420 11.951 -10.431 1.00 1.51 C ATOM 0 H LEU A 167 -10.253 9.507 -7.126 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.260 10.408 -9.761 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.631 10.827 -7.819 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.858 9.325 -8.284 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.796 11.446 -9.136 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.307 10.545 -11.372 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -6.264 9.284 -10.117 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.667 9.411 -11.205 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -7.794 12.480 -11.150 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -9.230 11.445 -10.957 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -8.838 12.664 -9.721 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.216 7.295 -9.387 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.084 6.023 -10.064 1.00 0.69 C ATOM 2580 C VAL A 168 -10.432 5.572 -10.627 1.00 0.77 C ATOM 2581 O VAL A 168 -10.520 5.135 -11.774 1.00 0.89 O ATOM 2582 CB VAL A 168 -8.527 4.948 -9.108 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -8.477 3.599 -9.789 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.142 5.340 -8.605 1.00 0.66 C ATOM 0 H VAL A 168 -8.994 7.266 -8.392 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.383 6.152 -10.888 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.198 4.877 -8.252 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.081 2.856 -9.096 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -9.482 3.309 -10.097 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -7.832 3.658 -10.666 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -6.767 4.568 -7.932 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.463 5.444 -9.452 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.204 6.288 -8.071 1.00 0.66 H new