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 160:sc= 1.2 USER MOD Set 1.2: A 154 THR OG1 : rot 180:sc= -0.0569 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 158:sc= 1.2 (180deg=-0.144) USER MOD Set 2.2: A 95 GLN : amide:sc= -1.69! C(o=-0.49!,f=-9.5!) USER MOD Set 3.1: A 16 HIS :FLIP no HE2:sc= -8.58! C(o=-19!,f=-18!) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -4.74! C(o=-18!,f=-23!) USER MOD Set 3.3: A 96 THR OG1 : rot -158:sc= -4.64! USER MOD Single : A 12 THR OG1 : rot 31:sc= 0.148 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -159:sc= -1.73! USER MOD Single : A 93 MET CE :methyl -116:sc= 0 (180deg=-0.133) USER MOD Single : A 101 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.4!) USER MOD Single : A 102 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=-0.0053) USER MOD Single : A 104 LYS NZ :NH3+ -153:sc= 1.1 (180deg=0.563) USER MOD Single : A 107 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.7!) USER MOD Single : A 115 ASN : amide:sc= -7.26! C(o=-7.3!,f=-14!) USER MOD Single : A 116 LYS NZ :NH3+ -161:sc= 2.41 (180deg=1.54) USER MOD Single : A 117 MET CE :methyl -166:sc= -6.57! (180deg=-7.41!) USER MOD Single : A 119 LYS NZ :NH3+ -150:sc= 1.26 (180deg=0.443) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.133 F(o=-1.2,f=-0.13) USER MOD Single : A 128 MET CE :methyl 134:sc= -2.06 (180deg=-3.98!) USER MOD Single : A 129 GLN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : A 132 MET CE :methyl 140:sc= -0.567 (180deg=-2.94!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.107 K(o=-0.11,f=-1) USER MOD Single : A 145 THR OG1 : rot -12:sc= -0.811! USER MOD Single : A 148 CYS SG : rot -120:sc= -0.0162 USER MOD Single : A 149 LYS NZ :NH3+ 132:sc= 1.3 (180deg=-0.146) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 136:sc= 0.00228 (180deg=-0.65) USER MOD Single : A 160 HIS : no HE2:sc= 0.0681 K(o=0.068,f=-0.89) USER MOD Single : A 164 MET CE :methyl -117:sc= -2.96! (180deg=-4.69!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -12.058 -3.358 -0.326 1.00 0.44 N ATOM 172 CA THR A 12 -11.834 -4.100 0.900 1.00 0.45 C ATOM 173 C THR A 12 -10.653 -3.509 1.657 1.00 0.41 C ATOM 174 O THR A 12 -9.583 -3.313 1.084 1.00 0.50 O ATOM 175 CB THR A 12 -11.559 -5.590 0.603 1.00 0.54 C ATOM 176 OG1 THR A 12 -12.599 -6.124 -0.230 1.00 0.61 O ATOM 177 CG2 THR A 12 -11.477 -6.398 1.892 1.00 0.64 C ATOM 0 HA THR A 12 -12.735 -4.027 1.509 1.00 0.45 H new ATOM 0 HB THR A 12 -10.602 -5.661 0.086 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.951 -5.416 -0.809 1.00 0.61 H new ATOM 0 HG21 THR A 12 -11.283 -7.444 1.654 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.669 -6.011 2.513 1.00 0.64 H new ATOM 0 HG23 THR A 12 -12.420 -6.318 2.432 1.00 0.64 H new ATOM 185 N ILE A 13 -10.844 -3.206 2.935 1.00 0.40 N ATOM 186 CA ILE A 13 -9.766 -2.642 3.733 1.00 0.40 C ATOM 187 C ILE A 13 -9.051 -3.711 4.532 1.00 0.37 C ATOM 188 O ILE A 13 -9.670 -4.572 5.158 1.00 0.52 O ATOM 189 CB ILE A 13 -10.240 -1.529 4.687 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.476 -1.968 5.480 1.00 1.15 C ATOM 191 CG2 ILE A 13 -10.510 -0.258 3.903 1.00 1.26 C ATOM 192 CD1 ILE A 13 -11.895 -0.973 6.545 1.00 1.30 C ATOM 0 H ILE A 13 -11.723 -3.339 3.435 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.076 -2.197 3.016 1.00 0.40 H new ATOM 0 HB ILE A 13 -9.449 -1.329 5.410 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -12.306 -2.121 4.790 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -11.273 -2.929 5.952 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.845 0.525 4.583 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.596 0.062 3.403 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -11.284 -0.447 3.159 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -12.776 -1.348 7.067 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -11.081 -0.838 7.257 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -12.130 -0.017 6.077 1.00 1.30 H new ATOM 204 N MET A 14 -7.739 -3.654 4.481 1.00 0.26 N ATOM 205 CA MET A 14 -6.890 -4.575 5.188 1.00 0.28 C ATOM 206 C MET A 14 -5.771 -3.808 5.870 1.00 0.24 C ATOM 207 O MET A 14 -5.702 -2.586 5.765 1.00 0.29 O ATOM 208 CB MET A 14 -6.308 -5.583 4.209 1.00 0.36 C ATOM 209 CG MET A 14 -7.302 -6.625 3.734 1.00 0.49 C ATOM 210 SD MET A 14 -6.574 -7.804 2.585 1.00 0.79 S ATOM 211 CE MET A 14 -7.973 -8.872 2.285 1.00 0.69 C ATOM 0 H MET A 14 -7.229 -2.956 3.939 1.00 0.26 H new ATOM 0 HA MET A 14 -7.472 -5.105 5.942 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.915 -5.049 3.344 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.465 -6.088 4.681 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.700 -7.161 4.595 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.143 -6.126 3.253 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.686 -9.660 1.589 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.298 -9.318 3.225 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.790 -8.290 1.858 1.00 0.69 H new ATOM 221 N GLY A 15 -4.899 -4.520 6.557 1.00 0.27 N ATOM 222 CA GLY A 15 -3.808 -3.880 7.234 1.00 0.27 C ATOM 223 C GLY A 15 -3.540 -4.505 8.575 1.00 0.24 C ATOM 224 O GLY A 15 -4.007 -5.611 8.855 1.00 0.31 O ATOM 0 H GLY A 15 -4.931 -5.535 6.656 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -2.911 -3.942 6.618 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.032 -2.821 7.365 1.00 0.27 H new ATOM 228 N HIS A 16 -2.781 -3.815 9.402 1.00 0.20 N ATOM 229 CA HIS A 16 -2.469 -4.322 10.729 1.00 0.17 C ATOM 230 C HIS A 16 -3.474 -3.823 11.760 1.00 0.19 C ATOM 231 O HIS A 16 -4.152 -2.816 11.565 1.00 0.22 O ATOM 232 CB HIS A 16 -1.058 -3.916 11.149 1.00 0.17 C ATOM 233 CG HIS A 16 -0.588 -4.582 12.412 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.066 -4.027 13.525 1.00 0.16 N flip ATOM 235 CD2 HIS A 16 -0.672 -5.943 12.589 1.00 0.19 C flip ATOM 236 CE1 HIS A 16 0.180 -5.047 14.405 1.00 0.19 C flip ATOM 237 NE2 HIS A 16 -0.198 -6.176 13.805 1.00 0.22 N flip ATOM 0 H HIS A 16 -2.370 -2.907 9.184 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.527 -5.410 10.684 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.365 -4.156 10.343 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.026 -2.835 11.285 1.00 0.17 H new ATOM 0 HD1 HIS A 16 0.112 -3.035 13.682 1.00 0.16 H new ATOM 0 HD2 HIS A 16 -1.046 -6.671 11.884 1.00 0.19 H new ATOM 0 HE1 HIS A 16 0.600 -4.955 15.396 1.00 0.19 H new ATOM 245 N VAL A 17 -3.558 -4.556 12.855 1.00 0.20 N ATOM 246 CA VAL A 17 -4.366 -4.167 13.995 1.00 0.25 C ATOM 247 C VAL A 17 -3.727 -2.979 14.701 1.00 0.26 C ATOM 248 O VAL A 17 -2.504 -2.852 14.698 1.00 0.25 O ATOM 249 CB VAL A 17 -4.494 -5.346 14.967 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.118 -5.828 15.404 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.321 -4.999 16.182 1.00 0.36 C ATOM 0 H VAL A 17 -3.066 -5.441 12.979 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.359 -3.881 13.649 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.009 -6.144 14.431 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.228 -6.665 16.094 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.551 -6.149 14.531 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.589 -5.015 15.901 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.382 -5.866 16.840 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.854 -4.171 16.715 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.324 -4.709 15.869 1.00 0.36 H new ATOM 261 N ASP A 18 -4.555 -2.102 15.270 1.00 0.31 N ATOM 262 CA ASP A 18 -4.084 -0.876 15.927 1.00 0.36 C ATOM 263 C ASP A 18 -3.665 0.160 14.892 1.00 0.34 C ATOM 264 O ASP A 18 -3.715 1.368 15.134 1.00 0.41 O ATOM 265 CB ASP A 18 -2.931 -1.175 16.897 1.00 0.42 C ATOM 266 CG ASP A 18 -2.341 0.075 17.529 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.873 0.533 18.560 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.332 0.603 17.002 1.00 0.59 O ATOM 0 H ASP A 18 -5.568 -2.218 15.290 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.910 -0.466 16.508 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.290 -1.838 17.684 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.145 -1.710 16.363 1.00 0.42 H new ATOM 273 N HIS A 19 -3.259 -0.322 13.726 1.00 0.29 N ATOM 274 CA HIS A 19 -3.026 0.541 12.584 1.00 0.32 C ATOM 275 C HIS A 19 -4.370 0.869 11.951 1.00 0.43 C ATOM 276 O HIS A 19 -4.486 1.773 11.134 1.00 0.63 O ATOM 277 CB HIS A 19 -2.094 -0.120 11.558 1.00 0.29 C ATOM 278 CG HIS A 19 -0.759 -0.518 12.111 1.00 0.22 C ATOM 279 ND1 HIS A 19 0.263 -0.928 11.288 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.327 -0.543 13.395 1.00 0.21 C ATOM 281 CE1 HIS A 19 1.284 -1.191 12.083 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.971 -0.975 13.369 1.00 0.24 N ATOM 0 H HIS A 19 -3.084 -1.311 13.549 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.533 1.454 12.918 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -2.586 -1.004 11.153 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -1.940 0.568 10.727 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.898 -0.274 14.271 1.00 0.21 H new ATOM 0 HE1 HIS A 19 2.249 -1.536 11.741 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.583 -1.107 14.174 1.00 0.24 H new ATOM 290 N GLY A 20 -5.390 0.116 12.352 1.00 0.42 N ATOM 291 CA GLY A 20 -6.737 0.447 11.962 1.00 0.54 C ATOM 292 C GLY A 20 -7.427 -0.591 11.106 1.00 0.57 C ATOM 293 O GLY A 20 -7.543 -0.420 9.896 1.00 0.79 O ATOM 0 H GLY A 20 -5.302 -0.714 12.938 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.331 0.607 12.862 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -6.720 1.392 11.419 1.00 0.54 H new ATOM 297 N LYS A 21 -7.877 -1.681 11.710 1.00 0.61 N ATOM 298 CA LYS A 21 -8.813 -2.556 11.024 1.00 0.95 C ATOM 299 C LYS A 21 -10.227 -1.969 11.037 1.00 0.89 C ATOM 300 O LYS A 21 -10.617 -1.251 10.119 1.00 1.05 O ATOM 301 CB LYS A 21 -8.809 -3.955 11.630 1.00 1.36 C ATOM 302 CG LYS A 21 -7.793 -4.871 10.981 1.00 1.79 C ATOM 303 CD LYS A 21 -8.101 -5.045 9.505 1.00 2.30 C ATOM 304 CE LYS A 21 -7.092 -5.949 8.821 1.00 2.66 C ATOM 305 NZ LYS A 21 -7.099 -7.326 9.377 1.00 3.31 N ATOM 0 H LYS A 21 -7.617 -1.975 12.651 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.486 -2.636 9.987 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -8.598 -3.884 12.697 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -9.802 -4.392 11.530 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -6.792 -4.458 11.103 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -7.800 -5.842 11.477 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -9.101 -5.463 9.389 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -8.105 -4.070 9.017 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -7.309 -5.990 7.754 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -6.095 -5.522 8.927 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -6.700 -7.985 8.678 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -6.526 -7.353 10.245 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -8.076 -7.606 9.598 1.00 3.31 H new ATOM 319 N THR A 22 -10.979 -2.246 12.094 1.00 0.84 N ATOM 320 CA THR A 22 -12.357 -1.782 12.190 1.00 0.87 C ATOM 321 C THR A 22 -12.414 -0.287 12.513 1.00 0.79 C ATOM 322 O THR A 22 -13.446 0.354 12.343 1.00 0.79 O ATOM 323 CB THR A 22 -13.130 -2.582 13.260 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.890 -3.984 13.080 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.629 -2.321 13.175 1.00 1.18 C ATOM 0 H THR A 22 -10.659 -2.789 12.896 1.00 0.84 H new ATOM 0 HA THR A 22 -12.828 -1.944 11.221 1.00 0.87 H new ATOM 0 HB THR A 22 -12.777 -2.259 14.239 1.00 1.02 H new ATOM 0 HG1 THR A 22 -13.380 -4.490 13.761 1.00 1.21 H new ATOM 0 HG21 THR A 22 -15.143 -2.900 13.942 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.823 -1.260 13.330 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.995 -2.617 12.192 1.00 1.18 H new ATOM 333 N THR A 23 -11.297 0.267 12.974 1.00 0.75 N ATOM 334 CA THR A 23 -11.208 1.686 13.271 1.00 0.75 C ATOM 335 C THR A 23 -11.572 2.545 12.060 1.00 0.67 C ATOM 336 O THR A 23 -12.168 3.601 12.210 1.00 0.66 O ATOM 337 CB THR A 23 -9.808 2.056 13.746 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.056 0.863 14.023 1.00 1.25 O ATOM 339 CG2 THR A 23 -9.881 2.926 14.992 1.00 1.17 C ATOM 0 H THR A 23 -10.437 -0.253 13.150 1.00 0.75 H new ATOM 0 HA THR A 23 -11.927 1.886 14.066 1.00 0.75 H new ATOM 0 HB THR A 23 -9.309 2.620 12.958 1.00 0.82 H new ATOM 0 HG1 THR A 23 -8.312 1.077 14.624 1.00 1.25 H new ATOM 0 HG21 THR A 23 -8.872 3.181 15.317 1.00 1.17 H new ATOM 0 HG22 THR A 23 -10.431 3.840 14.766 1.00 1.17 H new ATOM 0 HG23 THR A 23 -10.392 2.382 15.786 1.00 1.17 H new ATOM 347 N LEU A 24 -11.222 2.083 10.866 1.00 0.65 N ATOM 348 CA LEU A 24 -11.588 2.789 9.638 1.00 0.63 C ATOM 349 C LEU A 24 -13.062 2.593 9.358 1.00 0.64 C ATOM 350 O LEU A 24 -13.761 3.525 8.987 1.00 0.65 O ATOM 351 CB LEU A 24 -10.766 2.274 8.475 1.00 0.67 C ATOM 352 CG LEU A 24 -9.370 2.892 8.302 1.00 0.84 C ATOM 353 CD1 LEU A 24 -9.481 4.391 8.088 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.482 2.592 9.499 1.00 1.30 C ATOM 0 H LEU A 24 -10.688 1.227 10.719 1.00 0.65 H new ATOM 0 HA LEU A 24 -11.386 3.852 9.765 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -10.651 1.196 8.588 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -11.330 2.440 7.557 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.909 2.443 7.422 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -8.485 4.816 7.967 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -10.071 4.588 7.193 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -9.967 4.847 8.950 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.501 3.043 9.346 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.935 3.005 10.400 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -8.372 1.513 9.609 1.00 1.30 H new ATOM 366 N LEU A 25 -13.536 1.376 9.585 1.00 0.68 N ATOM 367 CA LEU A 25 -14.948 1.057 9.430 1.00 0.75 C ATOM 368 C LEU A 25 -15.781 1.877 10.415 1.00 0.74 C ATOM 369 O LEU A 25 -17.003 1.944 10.312 1.00 0.82 O ATOM 370 CB LEU A 25 -15.171 -0.441 9.674 1.00 0.85 C ATOM 371 CG LEU A 25 -15.939 -1.188 8.579 1.00 0.92 C ATOM 372 CD1 LEU A 25 -17.383 -0.720 8.504 1.00 1.63 C ATOM 373 CD2 LEU A 25 -15.249 -1.017 7.239 1.00 1.69 C ATOM 0 H LEU A 25 -12.959 0.588 9.879 1.00 0.68 H new ATOM 0 HA LEU A 25 -15.260 1.303 8.415 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -14.199 -0.918 9.800 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.709 -0.561 10.615 1.00 0.85 H new ATOM 0 HG LEU A 25 -15.946 -2.248 8.833 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -17.903 -1.268 7.718 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -17.875 -0.902 9.460 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -17.409 0.347 8.281 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -15.807 -1.554 6.471 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.207 0.042 6.984 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -14.236 -1.416 7.298 1.00 1.69 H new ATOM 385 N ASP A 26 -15.104 2.490 11.378 1.00 0.71 N ATOM 386 CA ASP A 26 -15.754 3.317 12.375 1.00 0.75 C ATOM 387 C ASP A 26 -15.558 4.777 12.033 1.00 0.70 C ATOM 388 O ASP A 26 -16.499 5.570 12.019 1.00 0.76 O ATOM 389 CB ASP A 26 -15.162 3.042 13.744 1.00 0.81 C ATOM 390 CG ASP A 26 -15.916 3.733 14.858 1.00 1.01 C ATOM 391 OD1 ASP A 26 -16.904 3.158 15.366 1.00 1.13 O ATOM 392 OD2 ASP A 26 -15.529 4.859 15.223 1.00 1.23 O ATOM 0 H ASP A 26 -14.092 2.425 11.486 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.818 3.082 12.388 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.160 1.967 13.925 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.122 3.369 13.758 1.00 0.81 H new ATOM 397 N ALA A 27 -14.315 5.101 11.728 1.00 0.63 N ATOM 398 CA ALA A 27 -13.902 6.475 11.498 1.00 0.61 C ATOM 399 C ALA A 27 -14.470 7.014 10.196 1.00 0.58 C ATOM 400 O ALA A 27 -14.902 8.165 10.118 1.00 0.62 O ATOM 401 CB ALA A 27 -12.387 6.537 11.479 1.00 0.61 C ATOM 0 H ALA A 27 -13.562 4.419 11.632 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.289 7.098 12.304 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.067 7.565 11.307 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.997 6.191 12.436 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -12.007 5.900 10.680 1.00 0.61 H new ATOM 407 N ILE A 28 -14.475 6.170 9.180 1.00 0.56 N ATOM 408 CA ILE A 28 -14.928 6.555 7.856 1.00 0.57 C ATOM 409 C ILE A 28 -16.442 6.768 7.833 1.00 0.64 C ATOM 410 O ILE A 28 -16.961 7.531 7.015 1.00 0.71 O ATOM 411 CB ILE A 28 -14.522 5.487 6.822 1.00 0.61 C ATOM 412 CG1 ILE A 28 -12.999 5.382 6.732 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.103 5.793 5.458 1.00 1.02 C ATOM 414 CD1 ILE A 28 -12.528 4.232 5.872 1.00 0.85 C ATOM 0 H ILE A 28 -14.166 5.200 9.249 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.450 7.499 7.595 1.00 0.57 H new ATOM 0 HB ILE A 28 -14.925 4.531 7.156 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -12.601 6.314 6.330 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -12.590 5.267 7.736 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.798 5.021 4.751 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -16.191 5.817 5.523 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -14.739 6.762 5.116 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -11.438 4.216 5.851 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.897 3.293 6.285 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -12.908 4.356 4.858 1.00 0.85 H new ATOM 1221 N ILE A 81 -10.752 -3.757 -5.402 1.00 0.63 N ATOM 1222 CA ILE A 81 -9.502 -3.108 -5.012 1.00 0.42 C ATOM 1223 C ILE A 81 -9.272 -3.258 -3.515 1.00 0.38 C ATOM 1224 O ILE A 81 -10.231 -3.247 -2.738 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.539 -1.604 -5.378 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.829 -1.433 -6.875 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.230 -0.917 -5.011 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -10.019 0.005 -7.300 1.00 0.71 C ATOM 0 HA ILE A 81 -8.685 -3.589 -5.551 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.338 -1.134 -4.805 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -9.007 -1.865 -7.446 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.726 -1.998 -7.129 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.285 0.138 -5.279 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -8.058 -1.010 -3.939 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.408 -1.387 -5.552 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -10.220 0.044 -8.371 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.860 0.437 -6.757 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.115 0.572 -7.079 1.00 0.71 H new ATOM 1240 N VAL A 82 -8.016 -3.386 -3.092 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.749 -3.564 -1.670 1.00 0.28 C ATOM 1242 C VAL A 82 -6.993 -2.378 -1.097 1.00 0.23 C ATOM 1243 O VAL A 82 -6.063 -1.853 -1.704 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.954 -4.851 -1.367 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.600 -4.790 -2.026 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -6.805 -5.063 0.139 1.00 1.17 C ATOM 0 H VAL A 82 -7.192 -3.371 -3.693 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.727 -3.645 -1.196 1.00 0.28 H new ATOM 0 HB VAL A 82 -7.507 -5.698 -1.772 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.047 -5.703 -1.806 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.724 -4.692 -3.104 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -5.048 -3.931 -1.645 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.241 -5.977 0.324 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.276 -4.216 0.575 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.792 -5.148 0.594 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.425 -1.953 0.063 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.711 -0.970 0.841 1.00 0.19 C ATOM 1258 C ILE A 83 -5.864 -1.661 1.872 1.00 0.19 C ATOM 1259 O ILE A 83 -6.306 -2.599 2.525 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.661 0.024 1.533 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.272 0.912 0.472 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -6.928 0.855 2.587 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.006 2.121 1.014 1.00 0.37 C ATOM 0 H ILE A 83 -8.287 -2.281 0.498 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.082 -0.401 0.156 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.445 -0.525 2.056 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.483 1.252 -0.199 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.965 0.319 -0.126 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.628 1.547 3.056 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.508 0.193 3.345 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.125 1.418 2.112 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.412 2.702 0.186 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.820 1.793 1.661 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.315 2.740 1.586 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.649 -1.208 2.010 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.764 -1.757 2.992 1.00 0.23 C ATOM 1277 C LEU A 84 -3.367 -0.636 3.947 1.00 0.24 C ATOM 1278 O LEU A 84 -2.646 0.288 3.577 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.564 -2.421 2.294 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.436 -2.941 3.191 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.505 -1.808 3.539 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -1.978 -3.596 4.460 1.00 1.01 C ATOM 0 H LEU A 84 -4.250 -0.455 1.450 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.245 -2.540 3.578 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.937 -3.256 1.701 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.137 -1.700 1.597 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.889 -3.706 2.641 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.297 -2.179 4.177 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.079 -1.393 2.625 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.059 -1.031 4.067 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.147 -3.952 5.069 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.558 -2.867 5.027 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.617 -4.437 4.191 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.897 -0.695 5.153 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.673 0.332 6.143 1.00 0.27 C ATOM 1296 C VAL A 85 -2.492 -0.026 7.030 1.00 0.25 C ATOM 1297 O VAL A 85 -2.527 -1.012 7.771 1.00 0.29 O ATOM 1298 CB VAL A 85 -4.928 0.538 7.010 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.701 1.648 8.009 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.143 0.836 6.142 1.00 0.40 C ATOM 0 H VAL A 85 -4.495 -1.458 5.471 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.452 1.260 5.616 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.122 -0.385 7.557 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.597 1.781 8.615 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.862 1.390 8.655 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.480 2.575 7.479 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.018 0.978 6.777 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -5.964 1.742 5.564 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.319 0.001 5.463 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.439 0.759 6.918 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.271 0.593 7.746 1.00 0.20 C ATOM 1312 C VAL A 86 0.009 1.853 8.535 1.00 0.17 C ATOM 1313 O VAL A 86 -0.088 2.964 8.014 1.00 0.22 O ATOM 1314 CB VAL A 86 0.975 0.247 6.915 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.966 -1.218 6.531 1.00 0.49 C ATOM 1316 CG2 VAL A 86 1.062 1.126 5.676 1.00 0.64 C ATOM 0 H VAL A 86 -1.373 1.527 6.250 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.483 -0.233 8.424 1.00 0.20 H new ATOM 0 HB VAL A 86 1.857 0.438 7.527 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.855 -1.446 5.943 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.961 -1.830 7.433 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.076 -1.434 5.940 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.952 0.862 5.104 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.176 0.974 5.059 1.00 0.64 H new ATOM 0 HG23 VAL A 86 1.120 2.172 5.976 1.00 0.64 H new ATOM 1326 N ALA A 87 0.337 1.680 9.795 1.00 0.17 N ATOM 1327 CA ALA A 87 0.701 2.799 10.634 1.00 0.18 C ATOM 1328 C ALA A 87 2.103 3.262 10.304 1.00 0.16 C ATOM 1329 O ALA A 87 3.005 2.444 10.171 1.00 0.24 O ATOM 1330 CB ALA A 87 0.610 2.406 12.095 1.00 0.28 C ATOM 0 H ALA A 87 0.359 0.774 10.262 1.00 0.17 H new ATOM 0 HA ALA A 87 0.008 3.619 10.448 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.886 3.256 12.718 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.411 2.102 12.327 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.289 1.576 12.292 1.00 0.28 H new ATOM 1336 N ALA A 88 2.300 4.569 10.177 1.00 0.12 N ATOM 1337 CA ALA A 88 3.624 5.088 9.883 1.00 0.14 C ATOM 1338 C ALA A 88 4.490 5.019 11.113 1.00 0.16 C ATOM 1339 O ALA A 88 5.694 5.239 11.057 1.00 0.22 O ATOM 1340 CB ALA A 88 3.552 6.520 9.394 1.00 0.17 C ATOM 0 H ALA A 88 1.571 5.276 10.272 1.00 0.12 H new ATOM 0 HA ALA A 88 4.059 4.474 9.094 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.558 6.883 9.182 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.951 6.565 8.486 1.00 0.17 H new ATOM 0 HB3 ALA A 88 3.096 7.144 10.162 1.00 0.17 H new ATOM 1346 N ASP A 89 3.858 4.718 12.226 1.00 0.16 N ATOM 1347 CA ASP A 89 4.572 4.656 13.488 1.00 0.21 C ATOM 1348 C ASP A 89 5.157 3.260 13.708 1.00 0.22 C ATOM 1349 O ASP A 89 6.024 3.063 14.563 1.00 0.37 O ATOM 1350 CB ASP A 89 3.655 5.032 14.653 1.00 0.30 C ATOM 1351 CG ASP A 89 2.999 3.827 15.318 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.164 3.163 14.672 1.00 0.47 O ATOM 1353 OD2 ASP A 89 3.295 3.558 16.499 1.00 0.58 O ATOM 0 H ASP A 89 2.861 4.514 12.286 1.00 0.16 H new ATOM 0 HA ASP A 89 5.390 5.376 13.447 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.232 5.580 15.398 1.00 0.30 H new ATOM 0 HB3 ASP A 89 2.878 5.706 14.292 1.00 0.30 H new ATOM 1358 N ASP A 90 4.689 2.297 12.919 1.00 0.19 N ATOM 1359 CA ASP A 90 5.112 0.910 13.070 1.00 0.23 C ATOM 1360 C ASP A 90 5.499 0.323 11.713 1.00 0.25 C ATOM 1361 O ASP A 90 6.653 -0.040 11.486 1.00 0.42 O ATOM 1362 CB ASP A 90 4.000 0.086 13.706 1.00 0.26 C ATOM 1363 CG ASP A 90 4.535 -0.980 14.638 1.00 0.36 C ATOM 1364 OD1 ASP A 90 5.530 -1.643 14.274 1.00 0.56 O ATOM 1365 OD2 ASP A 90 3.966 -1.162 15.734 1.00 0.46 O ATOM 0 H ASP A 90 4.016 2.453 12.168 1.00 0.19 H new ATOM 0 HA ASP A 90 5.984 0.880 13.723 1.00 0.23 H new ATOM 0 HB2 ASP A 90 3.332 0.747 14.259 1.00 0.26 H new ATOM 0 HB3 ASP A 90 3.406 -0.385 12.922 1.00 0.26 H new ATOM 1370 N GLY A 91 4.528 0.249 10.809 1.00 0.20 N ATOM 1371 CA GLY A 91 4.790 -0.215 9.458 1.00 0.21 C ATOM 1372 C GLY A 91 4.067 -1.507 9.130 1.00 0.22 C ATOM 1373 O GLY A 91 2.859 -1.615 9.345 1.00 0.37 O ATOM 0 H GLY A 91 3.557 0.504 10.989 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.487 0.556 8.749 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.863 -0.362 9.331 1.00 0.21 H new ATOM 1377 N VAL A 92 4.800 -2.478 8.610 1.00 0.26 N ATOM 1378 CA VAL A 92 4.230 -3.771 8.252 1.00 0.26 C ATOM 1379 C VAL A 92 4.510 -4.780 9.363 1.00 0.24 C ATOM 1380 O VAL A 92 5.585 -4.792 9.969 1.00 0.28 O ATOM 1381 CB VAL A 92 4.779 -4.289 6.899 1.00 0.32 C ATOM 1382 CG1 VAL A 92 6.265 -4.596 6.990 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.003 -5.511 6.432 1.00 1.03 C ATOM 0 H VAL A 92 5.800 -2.396 8.424 1.00 0.26 H new ATOM 0 HA VAL A 92 3.153 -3.646 8.136 1.00 0.26 H new ATOM 0 HB VAL A 92 4.646 -3.498 6.161 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.622 -4.957 6.025 1.00 0.96 H new ATOM 0 HG12 VAL A 92 6.808 -3.690 7.261 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.433 -5.361 7.749 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.407 -5.856 5.480 1.00 1.03 H new ATOM 0 HG22 VAL A 92 4.093 -6.305 7.174 1.00 1.03 H new ATOM 0 HG23 VAL A 92 2.952 -5.249 6.307 1.00 1.03 H new ATOM 1393 N MET A 93 3.520 -5.600 9.622 1.00 0.22 N ATOM 1394 CA MET A 93 3.511 -6.511 10.755 1.00 0.22 C ATOM 1395 C MET A 93 2.914 -7.848 10.301 1.00 0.22 C ATOM 1396 O MET A 93 2.490 -7.955 9.148 1.00 0.23 O ATOM 1397 CB MET A 93 2.669 -5.886 11.875 1.00 0.21 C ATOM 1398 CG MET A 93 3.092 -4.470 12.228 1.00 0.23 C ATOM 1399 SD MET A 93 4.626 -4.429 13.159 1.00 0.28 S ATOM 1400 CE MET A 93 4.008 -4.879 14.772 1.00 0.27 C ATOM 0 H MET A 93 2.681 -5.658 9.045 1.00 0.22 H new ATOM 0 HA MET A 93 4.520 -6.686 11.129 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.622 -5.880 11.572 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.740 -6.511 12.765 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.209 -3.890 11.313 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.304 -3.992 12.810 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.157 -4.049 15.463 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.944 -5.108 14.703 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.545 -5.755 15.136 1.00 0.27 H new ATOM 1410 N PRO A 94 2.872 -8.879 11.169 1.00 0.25 N ATOM 1411 CA PRO A 94 2.350 -10.206 10.802 1.00 0.30 C ATOM 1412 C PRO A 94 0.988 -10.173 10.095 1.00 0.28 C ATOM 1413 O PRO A 94 0.864 -10.672 8.974 1.00 0.31 O ATOM 1414 CB PRO A 94 2.239 -10.921 12.148 1.00 0.37 C ATOM 1415 CG PRO A 94 3.298 -10.300 12.986 1.00 0.58 C ATOM 1416 CD PRO A 94 3.365 -8.859 12.565 1.00 0.30 C ATOM 0 HA PRO A 94 3.003 -10.696 10.080 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.252 -10.785 12.590 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.395 -11.994 12.042 1.00 0.37 H new ATOM 0 HG2 PRO A 94 3.058 -10.386 14.046 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.257 -10.796 12.835 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.744 -8.227 13.200 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.382 -8.471 12.625 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.034 -9.588 10.719 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.364 -9.619 10.129 1.00 0.32 C ATOM 1426 C GLN A 95 -1.494 -8.583 9.023 1.00 0.31 C ATOM 1427 O GLN A 95 -2.455 -8.589 8.250 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.456 -9.423 11.179 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.837 -7.980 11.440 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.248 -7.849 11.988 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -5.204 -7.704 11.231 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.396 -7.896 13.301 1.00 0.34 N ATOM 0 H GLN A 95 0.033 -9.099 11.612 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.499 -10.609 9.693 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.346 -9.967 10.863 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.124 -9.871 12.116 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.132 -7.542 12.147 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.754 -7.411 10.514 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.581 -8.017 13.902 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.325 -7.811 13.713 1.00 0.34 H new ATOM 1441 N THR A 96 -0.515 -7.707 8.950 1.00 0.26 N ATOM 1442 CA THR A 96 -0.456 -6.706 7.905 1.00 0.25 C ATOM 1443 C THR A 96 -0.131 -7.374 6.587 1.00 0.25 C ATOM 1444 O THR A 96 -0.812 -7.173 5.584 1.00 0.31 O ATOM 1445 CB THR A 96 0.620 -5.668 8.209 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.778 -5.567 9.617 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.240 -4.314 7.650 1.00 0.28 C ATOM 0 H THR A 96 0.261 -7.668 9.611 1.00 0.26 H new ATOM 0 HA THR A 96 -1.424 -6.208 7.850 1.00 0.25 H new ATOM 0 HB THR A 96 1.553 -5.983 7.742 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.180 -4.702 9.840 1.00 0.24 H new ATOM 0 HG21 THR A 96 1.024 -3.592 7.880 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.120 -4.387 6.569 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.698 -3.986 8.097 1.00 0.28 H new ATOM 1455 N VAL A 97 0.906 -8.199 6.607 1.00 0.25 N ATOM 1456 CA VAL A 97 1.361 -8.852 5.412 1.00 0.31 C ATOM 1457 C VAL A 97 0.477 -10.030 4.997 1.00 0.23 C ATOM 1458 O VAL A 97 0.384 -10.330 3.819 1.00 0.24 O ATOM 1459 CB VAL A 97 2.826 -9.297 5.530 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.076 -10.090 6.795 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.205 -10.113 4.321 1.00 1.38 C ATOM 0 H VAL A 97 1.442 -8.425 7.445 1.00 0.25 H new ATOM 0 HA VAL A 97 1.288 -8.104 4.623 1.00 0.31 H new ATOM 0 HB VAL A 97 3.446 -8.402 5.580 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.124 -10.385 6.838 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.836 -9.476 7.663 1.00 1.02 H new ATOM 0 HG13 VAL A 97 2.448 -10.981 6.796 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.245 -10.428 4.406 1.00 1.38 H new ATOM 0 HG22 VAL A 97 2.563 -10.992 4.260 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.081 -9.510 3.422 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.197 -10.687 5.928 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.087 -11.784 5.531 1.00 0.29 C ATOM 1473 C GLU A 98 -2.260 -11.226 4.734 1.00 0.31 C ATOM 1474 O GLU A 98 -2.904 -11.934 3.956 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.576 -12.580 6.744 1.00 0.39 C ATOM 1476 CG GLU A 98 -2.338 -11.758 7.767 1.00 0.92 C ATOM 1477 CD GLU A 98 -2.712 -12.567 8.991 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -1.800 -13.049 9.692 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -3.918 -12.710 9.274 1.00 1.97 O ATOM 0 H GLU A 98 -0.154 -10.496 6.929 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.525 -12.475 4.903 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.217 -13.391 6.397 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -0.717 -13.040 7.232 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -1.731 -10.905 8.070 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -3.242 -11.358 7.308 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.511 -9.944 4.928 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.459 -9.211 4.109 1.00 0.35 C ATOM 1488 C ALA A 99 -2.832 -8.875 2.756 1.00 0.34 C ATOM 1489 O ALA A 99 -3.498 -8.923 1.723 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.897 -7.950 4.830 1.00 0.39 C ATOM 0 H ALA A 99 -2.066 -9.384 5.655 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.338 -9.831 3.934 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.608 -7.405 4.210 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.370 -8.217 5.775 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -3.028 -7.321 5.024 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.532 -8.573 2.770 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.800 -8.269 1.559 1.00 0.29 C ATOM 1498 C ILE A 100 -0.685 -9.524 0.709 1.00 0.29 C ATOM 1499 O ILE A 100 -0.877 -9.498 -0.501 1.00 0.34 O ATOM 1500 CB ILE A 100 0.611 -7.756 1.901 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.522 -6.449 2.697 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.418 -7.567 0.632 1.00 0.36 C ATOM 1503 CD1 ILE A 100 1.850 -5.990 3.265 1.00 0.41 C ATOM 0 H ILE A 100 -0.969 -8.535 3.620 1.00 0.28 H new ATOM 0 HA ILE A 100 -1.335 -7.495 1.009 1.00 0.29 H new ATOM 0 HB ILE A 100 1.118 -8.495 2.521 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.123 -5.667 2.051 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -0.187 -6.579 3.514 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.414 -7.204 0.885 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.501 -8.519 0.108 1.00 0.36 H new ATOM 0 HG23 ILE A 100 0.920 -6.842 -0.011 1.00 0.36 H new ATOM 0 HD11 ILE A 100 1.708 -5.060 3.815 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.241 -6.753 3.938 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.557 -5.827 2.451 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.393 -10.622 1.383 1.00 0.29 N ATOM 1516 CA ASN A 101 -0.313 -11.936 0.773 1.00 0.34 C ATOM 1517 C ASN A 101 -1.591 -12.251 0.019 1.00 0.36 C ATOM 1518 O ASN A 101 -1.553 -12.759 -1.095 1.00 0.43 O ATOM 1519 CB ASN A 101 -0.061 -12.985 1.862 1.00 0.44 C ATOM 1520 CG ASN A 101 1.383 -13.055 2.290 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.291 -12.707 1.539 1.00 0.67 O ATOM 1522 ND2 ASN A 101 1.604 -13.540 3.497 1.00 0.64 N ATOM 0 H ASN A 101 -0.202 -10.625 2.385 1.00 0.29 H new ATOM 0 HA ASN A 101 0.512 -11.951 0.060 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.681 -12.756 2.729 1.00 0.44 H new ATOM 0 HB3 ASN A 101 -0.373 -13.963 1.496 1.00 0.44 H new ATOM 0 HD21 ASN A 101 2.560 -13.638 3.840 1.00 0.64 H new ATOM 0 HD22 ASN A 101 0.819 -13.817 4.087 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.722 -11.910 0.621 1.00 0.35 N ATOM 1530 CA HIS A 102 -4.015 -12.131 0.008 1.00 0.43 C ATOM 1531 C HIS A 102 -4.165 -11.251 -1.234 1.00 0.37 C ATOM 1532 O HIS A 102 -4.758 -11.658 -2.233 1.00 0.41 O ATOM 1533 CB HIS A 102 -5.120 -11.829 1.027 1.00 0.61 C ATOM 1534 CG HIS A 102 -6.451 -12.401 0.660 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -7.105 -13.347 1.419 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -7.251 -12.146 -0.393 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -8.256 -13.650 0.844 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -8.367 -12.934 -0.259 1.00 1.91 N ATOM 0 H HIS A 102 -2.765 -11.475 1.543 1.00 0.35 H new ATOM 0 HA HIS A 102 -4.099 -13.172 -0.303 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.822 -12.221 1.999 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -5.216 -10.749 1.135 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -7.051 -11.450 -1.195 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.981 -14.361 1.213 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -9.154 -12.962 -0.907 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.600 -10.060 -1.174 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.699 -9.116 -2.274 1.00 0.41 C ATOM 1549 C ALA A 103 -2.750 -9.475 -3.416 1.00 0.40 C ATOM 1550 O ALA A 103 -3.147 -9.481 -4.576 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.422 -7.711 -1.777 1.00 0.47 C ATOM 0 H ALA A 103 -3.066 -9.721 -0.374 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.715 -9.165 -2.667 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.498 -7.010 -2.608 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -4.150 -7.446 -1.010 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.418 -7.666 -1.355 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.498 -9.777 -3.090 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.497 -10.085 -4.107 1.00 0.49 C ATOM 1559 C LYS A 104 -0.813 -11.406 -4.776 1.00 0.54 C ATOM 1560 O LYS A 104 -0.640 -11.561 -5.985 1.00 0.66 O ATOM 1561 CB LYS A 104 0.891 -10.151 -3.486 1.00 0.61 C ATOM 1562 CG LYS A 104 1.241 -8.931 -2.665 1.00 0.70 C ATOM 1563 CD LYS A 104 1.190 -7.651 -3.489 1.00 0.84 C ATOM 1564 CE LYS A 104 2.090 -7.721 -4.715 1.00 0.99 C ATOM 1565 NZ LYS A 104 2.089 -6.446 -5.481 1.00 1.66 N ATOM 0 H LYS A 104 -1.152 -9.815 -2.131 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.517 -9.291 -4.854 1.00 0.49 H new ATOM 0 HB2 LYS A 104 0.956 -11.036 -2.853 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.630 -10.271 -4.278 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.550 -8.849 -1.826 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.240 -9.052 -2.245 1.00 0.70 H new ATOM 0 HD2 LYS A 104 0.163 -7.464 -3.804 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.491 -6.808 -2.867 1.00 0.84 H new ATOM 0 HE2 LYS A 104 3.108 -7.956 -4.404 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.758 -8.533 -5.362 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 2.303 -6.641 -6.480 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 1.153 -5.998 -5.409 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 2.810 -5.806 -5.091 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.259 -12.359 -3.974 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.689 -13.655 -4.496 1.00 0.61 C ATOM 1581 C ALA A 105 -2.749 -13.477 -5.583 1.00 0.62 C ATOM 1582 O ALA A 105 -2.713 -14.148 -6.618 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.220 -14.547 -3.385 1.00 0.65 C ATOM 0 H ALA A 105 -1.334 -12.265 -2.961 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.817 -14.140 -4.935 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.532 -15.504 -3.804 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.436 -14.713 -2.646 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.073 -14.065 -2.907 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.683 -12.562 -5.347 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.692 -12.230 -6.345 1.00 0.64 C ATOM 1591 C ALA A 106 -4.081 -11.390 -7.464 1.00 0.64 C ATOM 1592 O ALA A 106 -4.429 -11.557 -8.630 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.857 -11.496 -5.701 1.00 0.68 C ATOM 0 H ALA A 106 -3.762 -12.038 -4.475 1.00 0.54 H new ATOM 0 HA ALA A 106 -5.068 -13.157 -6.777 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.601 -11.256 -6.461 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.309 -12.130 -4.938 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.498 -10.575 -5.242 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.191 -10.480 -7.075 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.428 -9.637 -7.996 1.00 0.65 C ATOM 1601 C ASN A 107 -3.319 -8.534 -8.518 1.00 0.60 C ATOM 1602 O ASN A 107 -3.764 -8.536 -9.668 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.795 -10.422 -9.138 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.737 -9.621 -9.855 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.141 -8.709 -9.284 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.463 -9.981 -11.091 1.00 1.41 N ATOM 0 H ASN A 107 -2.975 -10.304 -6.094 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.596 -9.205 -7.439 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.353 -11.338 -8.747 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.568 -10.718 -9.847 1.00 0.85 H new ATOM 0 HD21 ASN A 107 0.268 -9.498 -11.613 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -0.982 -10.743 -11.527 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.569 -7.597 -7.631 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.548 -6.562 -7.831 1.00 0.42 C ATOM 1615 C VAL A 108 -3.997 -5.223 -7.353 1.00 0.37 C ATOM 1616 O VAL A 108 -3.176 -5.183 -6.429 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.822 -6.916 -7.033 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.459 -7.553 -5.702 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.659 -5.684 -6.794 1.00 1.35 C ATOM 0 H VAL A 108 -3.086 -7.535 -6.735 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.786 -6.485 -8.892 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.400 -7.628 -7.621 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.370 -7.795 -5.154 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.888 -8.465 -5.879 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.858 -6.857 -5.117 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.552 -5.954 -6.230 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -6.080 -4.955 -6.228 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.951 -5.251 -7.751 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.394 -4.118 -8.004 1.00 0.35 N ATOM 1630 CA PRO A 109 -4.081 -2.778 -7.534 1.00 0.33 C ATOM 1631 C PRO A 109 -4.477 -2.545 -6.084 1.00 0.28 C ATOM 1632 O PRO A 109 -5.581 -2.909 -5.630 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.870 -1.843 -8.456 1.00 0.37 C ATOM 1634 CG PRO A 109 -5.758 -2.724 -9.273 1.00 0.47 C ATOM 1635 CD PRO A 109 -5.128 -4.087 -9.275 1.00 0.40 C ATOM 0 HA PRO A 109 -3.005 -2.606 -7.565 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.455 -1.127 -7.878 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -4.200 -1.266 -9.093 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -6.762 -2.762 -8.849 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -5.855 -2.341 -10.289 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.877 -4.877 -9.327 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.463 -4.222 -10.128 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.567 -1.930 -5.357 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.781 -1.676 -3.959 1.00 0.21 C ATOM 1645 C ILE A 110 -3.963 -0.186 -3.713 1.00 0.19 C ATOM 1646 O ILE A 110 -3.624 0.654 -4.549 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.598 -2.223 -3.118 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.529 -3.745 -3.242 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.678 -1.802 -1.650 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.138 -4.430 -1.957 1.00 0.60 C ATOM 0 H ILE A 110 -2.672 -1.599 -5.718 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.690 -2.193 -3.650 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.683 -1.786 -3.518 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -3.500 -4.121 -3.565 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.811 -4.007 -4.019 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.826 -2.212 -1.107 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.663 -0.714 -1.582 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.602 -2.180 -1.213 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.108 -5.508 -2.114 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -1.154 -4.081 -1.644 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -2.869 -4.196 -1.183 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.509 0.109 -2.561 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.632 1.458 -2.058 1.00 0.18 C ATOM 1664 C ILE A 111 -4.087 1.466 -0.648 1.00 0.16 C ATOM 1665 O ILE A 111 -4.811 1.260 0.321 1.00 0.18 O ATOM 1666 CB ILE A 111 -6.091 1.977 -2.073 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.568 2.183 -3.508 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.210 3.286 -1.293 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.801 3.269 -4.223 1.00 0.37 C ATOM 0 H ILE A 111 -4.890 -0.597 -1.930 1.00 0.18 H new ATOM 0 HA ILE A 111 -4.071 2.129 -2.708 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.721 1.228 -1.593 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.466 1.248 -4.059 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.628 2.435 -3.502 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.244 3.631 -1.317 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.906 3.122 -0.259 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.565 4.039 -1.746 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.181 3.374 -5.239 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.924 4.212 -3.691 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.744 3.006 -4.256 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.787 1.621 -0.536 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.168 1.650 0.756 1.00 0.18 C ATOM 1683 C VAL A 112 -2.464 2.957 1.414 1.00 0.20 C ATOM 1684 O VAL A 112 -2.569 3.996 0.768 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.657 1.457 0.689 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.063 1.431 2.068 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.332 0.180 -0.029 1.00 0.19 C ATOM 0 H VAL A 112 -2.147 1.728 -1.323 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.579 0.820 1.331 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.228 2.296 0.142 1.00 0.19 H new ATOM 0 HG11 VAL A 112 1.016 1.292 1.997 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.275 2.373 2.573 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.498 0.609 2.636 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.750 0.052 -0.071 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.777 -0.660 0.504 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.733 0.220 -1.042 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.592 2.888 2.693 1.00 0.21 N ATOM 1698 CA ALA A 113 -2.945 4.034 3.468 1.00 0.24 C ATOM 1699 C ALA A 113 -2.191 4.042 4.772 1.00 0.25 C ATOM 1700 O ALA A 113 -2.461 3.255 5.676 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.446 4.071 3.663 1.00 0.29 C ATOM 0 H ALA A 113 -2.455 2.035 3.236 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.659 4.942 2.937 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.715 4.946 4.255 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -4.938 4.125 2.692 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -4.768 3.169 4.183 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.214 4.921 4.831 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.410 5.100 6.006 1.00 0.27 C ATOM 1709 C ILE A 114 -1.167 5.960 6.998 1.00 0.30 C ATOM 1710 O ILE A 114 -1.591 7.047 6.658 1.00 0.50 O ATOM 1711 CB ILE A 114 0.939 5.764 5.647 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.859 4.761 4.954 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.609 6.342 6.872 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.643 4.651 3.458 1.00 0.59 C ATOM 0 H ILE A 114 -0.959 5.533 4.056 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.201 4.126 6.449 1.00 0.27 H new ATOM 0 HB ILE A 114 0.737 6.585 4.959 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.895 5.046 5.140 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.712 3.779 5.404 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.555 6.802 6.586 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.961 7.095 7.320 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.795 5.547 7.594 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.335 3.918 3.043 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.619 4.335 3.261 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.819 5.621 2.993 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.346 5.471 8.208 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.107 6.199 9.212 1.00 0.22 C ATOM 1728 C ASN A 115 -1.142 6.728 10.220 1.00 0.20 C ATOM 1729 O ASN A 115 0.068 6.497 10.102 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.172 5.286 9.849 1.00 0.33 C ATOM 1731 CG ASN A 115 -2.702 4.517 11.072 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -1.541 4.195 11.214 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -3.619 4.210 11.964 1.00 0.56 N ATOM 0 H ASN A 115 -0.977 4.574 8.523 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.647 7.032 8.762 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.032 5.894 10.128 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.515 4.574 9.099 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.361 3.688 12.802 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.588 4.494 11.818 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.659 7.460 11.179 1.00 0.19 N ATOM 1741 CA LYS A 116 -0.848 7.954 12.249 1.00 0.20 C ATOM 1742 C LYS A 116 0.092 9.051 11.773 1.00 0.21 C ATOM 1743 O LYS A 116 1.232 9.151 12.223 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.090 6.792 12.894 1.00 0.25 C ATOM 1745 CG LYS A 116 -0.964 5.961 13.808 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.134 5.008 14.647 1.00 0.40 C ATOM 1747 CE LYS A 116 -0.985 3.952 15.337 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.148 2.997 16.120 1.00 0.59 N ATOM 0 H LYS A 116 -2.643 7.723 11.233 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.492 8.406 13.003 1.00 0.20 H new ATOM 0 HB2 LYS A 116 0.322 6.154 12.112 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.753 7.184 13.462 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.539 6.618 14.461 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -1.681 5.395 13.213 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.604 4.518 14.012 1.00 0.40 H new ATOM 0 HD3 LYS A 116 0.417 5.575 15.398 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -1.701 4.437 16.000 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -1.562 3.404 14.591 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -0.692 2.130 16.305 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 0.708 2.760 15.578 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 0.124 3.434 17.024 1.00 0.59 H new ATOM 1762 N MET A 117 -0.404 9.876 10.860 1.00 0.21 N ATOM 1763 CA MET A 117 0.283 11.111 10.498 1.00 0.28 C ATOM 1764 C MET A 117 0.009 12.126 11.581 1.00 0.29 C ATOM 1765 O MET A 117 0.664 13.161 11.687 1.00 0.37 O ATOM 1766 CB MET A 117 -0.202 11.624 9.147 1.00 0.38 C ATOM 1767 CG MET A 117 0.346 10.837 7.975 1.00 0.48 C ATOM 1768 SD MET A 117 2.075 11.177 7.652 1.00 0.77 S ATOM 1769 CE MET A 117 2.731 9.571 8.051 1.00 0.92 C ATOM 0 H MET A 117 -1.277 9.714 10.357 1.00 0.21 H new ATOM 0 HA MET A 117 1.355 10.932 10.410 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.291 11.588 9.122 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.085 12.670 9.039 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.221 9.772 8.169 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.237 11.069 7.084 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.814 9.636 8.155 1.00 0.92 H new ATOM 0 HE2 MET A 117 2.297 9.223 8.988 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.484 8.869 7.254 1.00 0.92 H new ATOM 1779 N ASP A 118 -0.990 11.792 12.380 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.321 12.541 13.582 1.00 0.34 C ATOM 1781 C ASP A 118 -0.297 12.258 14.667 1.00 0.33 C ATOM 1782 O ASP A 118 -0.157 13.009 15.633 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.709 12.138 14.075 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.838 10.637 14.227 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -3.027 9.950 13.197 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.751 10.139 15.366 1.00 0.76 O ATOM 0 H ASP A 118 -1.598 10.990 12.213 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.313 13.606 13.349 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.908 12.619 15.033 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.462 12.498 13.375 1.00 0.39 H new ATOM 1791 N LYS A 119 0.406 11.152 14.505 1.00 0.23 N ATOM 1792 CA LYS A 119 1.457 10.765 15.418 1.00 0.26 C ATOM 1793 C LYS A 119 2.775 11.390 14.993 1.00 0.28 C ATOM 1794 O LYS A 119 3.156 11.314 13.830 1.00 0.26 O ATOM 1795 CB LYS A 119 1.585 9.243 15.425 1.00 0.29 C ATOM 1796 CG LYS A 119 0.377 8.535 16.014 1.00 0.36 C ATOM 1797 CD LYS A 119 0.434 8.500 17.532 1.00 0.72 C ATOM 1798 CE LYS A 119 1.646 7.720 18.018 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.837 7.839 19.488 1.00 1.17 N ATOM 0 H LYS A 119 0.262 10.499 13.735 1.00 0.23 H new ATOM 0 HA LYS A 119 1.210 11.116 16.420 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.738 8.895 14.404 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.472 8.964 15.993 1.00 0.29 H new ATOM 0 HG2 LYS A 119 -0.534 9.042 15.695 1.00 0.36 H new ATOM 0 HG3 LYS A 119 0.327 7.517 15.628 1.00 0.36 H new ATOM 0 HD2 LYS A 119 0.473 9.518 17.921 1.00 0.72 H new ATOM 0 HD3 LYS A 119 -0.476 8.044 17.923 1.00 0.72 H new ATOM 0 HE2 LYS A 119 1.530 6.669 17.752 1.00 0.87 H new ATOM 0 HE3 LYS A 119 2.538 8.082 17.507 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.849 7.764 19.714 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 1.477 8.760 19.811 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.318 7.076 19.968 1.00 1.17 H new ATOM 1813 N PRO A 120 3.490 12.022 15.935 1.00 0.38 N ATOM 1814 CA PRO A 120 4.827 12.582 15.677 1.00 0.45 C ATOM 1815 C PRO A 120 5.836 11.493 15.318 1.00 0.40 C ATOM 1816 O PRO A 120 6.955 11.769 14.885 1.00 0.45 O ATOM 1817 CB PRO A 120 5.214 13.229 17.007 1.00 0.57 C ATOM 1818 CG PRO A 120 4.325 12.602 18.023 1.00 0.58 C ATOM 1819 CD PRO A 120 3.048 12.269 17.314 1.00 0.48 C ATOM 0 HA PRO A 120 4.821 13.277 14.837 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.264 13.051 17.240 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.073 14.309 16.974 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.783 11.706 18.441 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.142 13.283 18.854 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.563 11.393 17.745 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.331 13.088 17.367 1.00 0.48 H new ATOM 1827 N GLU A 121 5.419 10.255 15.532 1.00 0.35 N ATOM 1828 CA GLU A 121 6.226 9.081 15.223 1.00 0.37 C ATOM 1829 C GLU A 121 5.965 8.612 13.795 1.00 0.30 C ATOM 1830 O GLU A 121 6.399 7.540 13.389 1.00 0.37 O ATOM 1831 CB GLU A 121 5.890 7.975 16.216 1.00 0.48 C ATOM 1832 CG GLU A 121 6.032 8.434 17.653 1.00 0.62 C ATOM 1833 CD GLU A 121 5.520 7.423 18.655 1.00 1.04 C ATOM 1834 OE1 GLU A 121 6.129 6.337 18.762 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.513 7.701 19.334 1.00 1.45 O ATOM 0 H GLU A 121 4.505 10.033 15.928 1.00 0.35 H new ATOM 0 HA GLU A 121 7.283 9.336 15.304 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.869 7.633 16.045 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.546 7.122 16.042 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.082 8.641 17.859 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.491 9.371 17.783 1.00 0.62 H new ATOM 1842 N ALA A 122 5.223 9.430 13.065 1.00 0.24 N ATOM 1843 CA ALA A 122 4.931 9.191 11.655 1.00 0.22 C ATOM 1844 C ALA A 122 6.211 9.010 10.843 1.00 0.21 C ATOM 1845 O ALA A 122 6.942 9.971 10.595 1.00 0.26 O ATOM 1846 CB ALA A 122 4.132 10.355 11.094 1.00 0.27 C ATOM 0 H ALA A 122 4.803 10.283 13.433 1.00 0.24 H new ATOM 0 HA ALA A 122 4.350 8.272 11.582 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.915 10.174 10.041 1.00 0.27 H new ATOM 0 HB2 ALA A 122 3.197 10.454 11.645 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.710 11.274 11.193 1.00 0.27 H new ATOM 1852 N ASN A 123 6.487 7.779 10.440 1.00 0.21 N ATOM 1853 CA ASN A 123 7.585 7.508 9.518 1.00 0.23 C ATOM 1854 C ASN A 123 7.011 6.882 8.259 1.00 0.23 C ATOM 1855 O ASN A 123 7.137 5.681 8.027 1.00 0.25 O ATOM 1856 CB ASN A 123 8.610 6.555 10.134 1.00 0.26 C ATOM 1857 CG ASN A 123 10.024 6.894 9.796 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.224 7.486 8.659 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.945 6.618 10.560 1.00 0.52 N flip ATOM 0 H ASN A 123 5.968 6.952 10.735 1.00 0.21 H new ATOM 0 HA ASN A 123 8.093 8.445 9.291 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.493 6.561 11.218 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.398 5.540 9.796 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.750 6.152 11.446 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.905 6.855 10.308 1.00 0.52 H new ATOM 1866 N PRO A 124 6.388 7.709 7.422 1.00 0.25 N ATOM 1867 CA PRO A 124 5.618 7.244 6.268 1.00 0.32 C ATOM 1868 C PRO A 124 6.470 6.642 5.183 1.00 0.33 C ATOM 1869 O PRO A 124 6.243 5.513 4.751 1.00 0.35 O ATOM 1870 CB PRO A 124 4.962 8.515 5.770 1.00 0.40 C ATOM 1871 CG PRO A 124 5.860 9.616 6.207 1.00 0.32 C ATOM 1872 CD PRO A 124 6.385 9.179 7.537 1.00 0.27 C ATOM 0 HA PRO A 124 4.925 6.448 6.542 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.853 8.503 4.685 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.963 8.632 6.189 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.670 9.772 5.494 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.319 10.559 6.286 1.00 0.32 H new ATOM 0 HD2 PRO A 124 7.384 9.572 7.726 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.749 9.519 8.354 1.00 0.27 H new ATOM 1880 N ASP A 125 7.443 7.408 4.749 1.00 0.37 N ATOM 1881 CA ASP A 125 8.364 6.966 3.720 1.00 0.44 C ATOM 1882 C ASP A 125 9.061 5.700 4.171 1.00 0.34 C ATOM 1883 O ASP A 125 9.421 4.854 3.355 1.00 0.33 O ATOM 1884 CB ASP A 125 9.399 8.046 3.418 1.00 0.61 C ATOM 1885 CG ASP A 125 8.765 9.385 3.109 1.00 0.99 C ATOM 1886 OD1 ASP A 125 8.092 9.495 2.057 1.00 1.13 O ATOM 1887 OD2 ASP A 125 8.956 10.340 3.888 1.00 1.44 O ATOM 0 H ASP A 125 7.621 8.351 5.095 1.00 0.37 H new ATOM 0 HA ASP A 125 7.798 6.768 2.810 1.00 0.44 H new ATOM 0 HB2 ASP A 125 10.068 8.153 4.272 1.00 0.61 H new ATOM 0 HB3 ASP A 125 10.010 7.733 2.571 1.00 0.61 H new ATOM 1892 N ARG A 126 9.203 5.541 5.484 1.00 0.31 N ATOM 1893 CA ARG A 126 9.873 4.355 6.004 1.00 0.31 C ATOM 1894 C ARG A 126 8.974 3.157 5.816 1.00 0.27 C ATOM 1895 O ARG A 126 9.324 2.190 5.138 1.00 0.30 O ATOM 1896 CB ARG A 126 10.216 4.474 7.490 1.00 0.35 C ATOM 1897 CG ARG A 126 10.824 3.187 8.040 1.00 0.51 C ATOM 1898 CD ARG A 126 10.898 3.161 9.559 1.00 1.24 C ATOM 1899 NE ARG A 126 11.097 1.793 10.039 1.00 1.92 N ATOM 1900 CZ ARG A 126 11.541 1.469 11.253 1.00 2.94 C ATOM 1901 NH1 ARG A 126 11.890 2.408 12.123 1.00 3.49 N ATOM 1902 NH2 ARG A 126 11.655 0.190 11.593 1.00 3.79 N ATOM 0 H ARG A 126 8.873 6.199 6.190 1.00 0.31 H new ATOM 0 HA ARG A 126 10.807 4.245 5.453 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.916 5.297 7.636 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.315 4.718 8.052 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.233 2.338 7.697 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.827 3.063 7.632 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.716 3.795 9.900 1.00 1.24 H new ATOM 0 HD3 ARG A 126 9.980 3.571 9.981 1.00 1.24 H new ATOM 0 HE ARG A 126 10.880 1.031 9.397 1.00 1.92 H new ATOM 0 HH11 ARG A 126 11.820 3.393 11.866 1.00 3.49 H new ATOM 0 HH12 ARG A 126 12.228 2.145 13.049 1.00 3.49 H new ATOM 0 HH21 ARG A 126 11.403 -0.539 10.926 1.00 3.79 H new ATOM 0 HH22 ARG A 126 11.994 -0.063 12.521 1.00 3.79 H new ATOM 1916 N VAL A 127 7.798 3.250 6.410 1.00 0.25 N ATOM 1917 CA VAL A 127 6.853 2.155 6.411 1.00 0.28 C ATOM 1918 C VAL A 127 6.407 1.781 4.994 1.00 0.28 C ATOM 1919 O VAL A 127 6.160 0.613 4.718 1.00 0.33 O ATOM 1920 CB VAL A 127 5.644 2.453 7.329 1.00 0.36 C ATOM 1921 CG1 VAL A 127 6.147 2.743 8.727 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.788 3.609 6.828 1.00 0.44 C ATOM 0 H VAL A 127 7.475 4.083 6.902 1.00 0.25 H new ATOM 0 HA VAL A 127 7.369 1.286 6.820 1.00 0.28 H new ATOM 0 HB VAL A 127 5.002 1.572 7.328 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.301 2.954 9.381 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.691 1.877 9.105 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.812 3.607 8.703 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.956 3.770 7.514 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.394 4.514 6.774 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.401 3.372 5.837 1.00 0.44 H new ATOM 1932 N MET A 128 6.357 2.759 4.087 1.00 0.27 N ATOM 1933 CA MET A 128 5.950 2.490 2.706 1.00 0.31 C ATOM 1934 C MET A 128 7.109 1.878 1.905 1.00 0.26 C ATOM 1935 O MET A 128 6.894 1.304 0.837 1.00 0.35 O ATOM 1936 CB MET A 128 5.423 3.768 2.020 1.00 0.52 C ATOM 1937 CG MET A 128 6.508 4.732 1.555 1.00 0.81 C ATOM 1938 SD MET A 128 5.873 6.356 1.058 1.00 0.67 S ATOM 1939 CE MET A 128 4.812 5.963 -0.339 1.00 0.46 C ATOM 0 H MET A 128 6.590 3.733 4.280 1.00 0.27 H new ATOM 0 HA MET A 128 5.135 1.767 2.733 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.818 3.480 1.160 1.00 0.52 H new ATOM 0 HB3 MET A 128 4.763 4.291 2.713 1.00 0.52 H new ATOM 0 HG2 MET A 128 7.233 4.865 2.358 1.00 0.81 H new ATOM 0 HG3 MET A 128 7.042 4.287 0.715 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.864 6.492 -0.236 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.300 6.270 -1.264 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.627 4.889 -0.365 1.00 0.46 H new ATOM 1949 N GLN A 129 8.331 1.994 2.420 1.00 0.24 N ATOM 1950 CA GLN A 129 9.487 1.360 1.780 1.00 0.27 C ATOM 1951 C GLN A 129 9.557 -0.118 2.132 1.00 0.30 C ATOM 1952 O GLN A 129 9.877 -0.950 1.287 1.00 0.33 O ATOM 1953 CB GLN A 129 10.787 2.056 2.177 1.00 0.32 C ATOM 1954 CG GLN A 129 11.151 3.220 1.272 1.00 0.42 C ATOM 1955 CD GLN A 129 12.213 4.126 1.868 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.224 5.332 1.622 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.132 3.550 2.629 1.00 1.31 N ATOM 0 H GLN A 129 8.548 2.515 3.270 1.00 0.24 H new ATOM 0 HA GLN A 129 9.361 1.457 0.702 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.699 2.417 3.202 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.598 1.328 2.164 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.506 2.833 0.317 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.256 3.806 1.066 1.00 0.42 H new ATOM 0 HE21 GLN A 129 13.089 2.547 2.810 1.00 1.31 H new ATOM 0 HE22 GLN A 129 13.883 4.109 3.034 1.00 1.31 H new ATOM 1966 N GLU A 130 9.248 -0.447 3.374 1.00 0.37 N ATOM 1967 CA GLU A 130 9.201 -1.842 3.793 1.00 0.43 C ATOM 1968 C GLU A 130 8.027 -2.517 3.109 1.00 0.36 C ATOM 1969 O GLU A 130 8.035 -3.722 2.845 1.00 0.35 O ATOM 1970 CB GLU A 130 9.074 -1.926 5.311 1.00 0.61 C ATOM 1971 CG GLU A 130 9.920 -0.884 6.008 1.00 0.63 C ATOM 1972 CD GLU A 130 10.010 -1.082 7.507 1.00 1.04 C ATOM 1973 OE1 GLU A 130 9.808 -2.220 7.978 1.00 1.63 O ATOM 1974 OE2 GLU A 130 10.319 -0.106 8.224 1.00 1.64 O ATOM 0 H GLU A 130 9.027 0.226 4.108 1.00 0.37 H new ATOM 0 HA GLU A 130 10.121 -2.352 3.507 1.00 0.43 H new ATOM 0 HB2 GLU A 130 8.030 -1.795 5.595 1.00 0.61 H new ATOM 0 HB3 GLU A 130 9.373 -2.919 5.646 1.00 0.61 H new ATOM 0 HG2 GLU A 130 10.925 -0.902 5.586 1.00 0.63 H new ATOM 0 HG3 GLU A 130 9.507 0.104 5.804 1.00 0.63 H new ATOM 1981 N LEU A 131 7.033 -1.702 2.793 1.00 0.36 N ATOM 1982 CA LEU A 131 5.889 -2.136 2.026 1.00 0.37 C ATOM 1983 C LEU A 131 6.331 -2.600 0.652 1.00 0.29 C ATOM 1984 O LEU A 131 5.925 -3.662 0.188 1.00 0.32 O ATOM 1985 CB LEU A 131 4.888 -0.991 1.889 1.00 0.49 C ATOM 1986 CG LEU A 131 4.127 -0.654 3.168 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.332 0.627 3.022 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.200 -1.784 3.514 1.00 1.18 C ATOM 0 H LEU A 131 7.002 -0.719 3.065 1.00 0.36 H new ATOM 0 HA LEU A 131 5.411 -2.967 2.545 1.00 0.37 H new ATOM 0 HB2 LEU A 131 5.419 -0.100 1.553 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.169 -1.246 1.111 1.00 0.49 H new ATOM 0 HG LEU A 131 4.856 -0.510 3.966 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.803 0.835 3.952 1.00 1.36 H new ATOM 0 HD12 LEU A 131 4.009 1.451 2.797 1.00 1.36 H new ATOM 0 HD13 LEU A 131 2.611 0.518 2.212 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.657 -1.542 4.428 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.491 -1.935 2.700 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.778 -2.695 3.666 1.00 1.18 H new ATOM 2000 N MET A 132 7.200 -1.824 0.016 1.00 0.25 N ATOM 2001 CA MET A 132 7.618 -2.142 -1.335 1.00 0.26 C ATOM 2002 C MET A 132 8.612 -3.286 -1.348 1.00 0.30 C ATOM 2003 O MET A 132 8.912 -3.848 -2.398 1.00 0.37 O ATOM 2004 CB MET A 132 8.178 -0.913 -2.062 1.00 0.32 C ATOM 2005 CG MET A 132 9.553 -0.460 -1.603 1.00 0.88 C ATOM 2006 SD MET A 132 10.883 -1.208 -2.558 1.00 1.60 S ATOM 2007 CE MET A 132 10.440 -0.668 -4.208 1.00 1.61 C ATOM 0 H MET A 132 7.621 -0.983 0.410 1.00 0.25 H new ATOM 0 HA MET A 132 6.730 -2.464 -1.880 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.223 -1.131 -3.129 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.479 -0.086 -1.935 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.619 0.625 -1.683 1.00 0.88 H new ATOM 0 HG3 MET A 132 9.681 -0.711 -0.550 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.341 -0.389 -4.754 1.00 1.61 H new ATOM 0 HE2 MET A 132 9.934 -1.479 -4.732 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.775 0.193 -4.143 1.00 1.61 H new ATOM 2017 N GLU A 133 9.099 -3.656 -0.174 1.00 0.32 N ATOM 2018 CA GLU A 133 9.968 -4.806 -0.059 1.00 0.40 C ATOM 2019 C GLU A 133 9.126 -6.062 0.072 1.00 0.38 C ATOM 2020 O GLU A 133 9.611 -7.177 -0.100 1.00 0.45 O ATOM 2021 CB GLU A 133 10.929 -4.654 1.112 1.00 0.54 C ATOM 2022 CG GLU A 133 11.975 -3.581 0.878 1.00 0.79 C ATOM 2023 CD GLU A 133 13.227 -3.798 1.695 1.00 1.07 C ATOM 2024 OE1 GLU A 133 14.049 -4.656 1.311 1.00 1.67 O ATOM 2025 OE2 GLU A 133 13.409 -3.096 2.711 1.00 1.53 O ATOM 0 H GLU A 133 8.906 -3.177 0.706 1.00 0.32 H new ATOM 0 HA GLU A 133 10.577 -4.884 -0.960 1.00 0.40 H new ATOM 0 HB2 GLU A 133 10.363 -4.413 2.012 1.00 0.54 H new ATOM 0 HB3 GLU A 133 11.427 -5.607 1.294 1.00 0.54 H new ATOM 0 HG2 GLU A 133 12.236 -3.559 -0.180 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.551 -2.607 1.122 1.00 0.79 H new ATOM 2032 N TYR A 134 7.854 -5.856 0.379 1.00 0.35 N ATOM 2033 CA TYR A 134 6.854 -6.899 0.268 1.00 0.40 C ATOM 2034 C TYR A 134 6.167 -6.750 -1.091 1.00 0.41 C ATOM 2035 O TYR A 134 5.090 -7.292 -1.345 1.00 0.50 O ATOM 2036 CB TYR A 134 5.857 -6.803 1.423 1.00 0.46 C ATOM 2037 CG TYR A 134 6.430 -7.226 2.769 1.00 0.55 C ATOM 2038 CD1 TYR A 134 7.723 -6.874 3.133 1.00 0.88 C ATOM 2039 CD2 TYR A 134 5.685 -7.977 3.675 1.00 0.98 C ATOM 2040 CE1 TYR A 134 8.261 -7.252 4.347 1.00 0.95 C ATOM 2041 CE2 TYR A 134 6.216 -8.357 4.894 1.00 1.08 C ATOM 2042 CZ TYR A 134 7.502 -7.993 5.225 1.00 0.80 C ATOM 2043 OH TYR A 134 8.031 -8.381 6.434 1.00 0.95 O ATOM 0 H TYR A 134 7.490 -4.963 0.711 1.00 0.35 H new ATOM 0 HA TYR A 134 7.315 -7.885 0.331 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.500 -5.776 1.498 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.992 -7.425 1.196 1.00 0.46 H new ATOM 0 HD1 TYR A 134 8.322 -6.290 2.450 1.00 0.88 H new ATOM 0 HD2 TYR A 134 4.676 -8.267 3.421 1.00 0.98 H new ATOM 0 HE1 TYR A 134 9.270 -6.968 4.606 1.00 0.95 H new ATOM 0 HE2 TYR A 134 5.623 -8.938 5.585 1.00 1.08 H new ATOM 0 HH TYR A 134 7.363 -8.896 6.933 1.00 0.95 H new ATOM 2053 N ASN A 135 6.860 -5.996 -1.956 1.00 0.36 N ATOM 2054 CA ASN A 135 6.429 -5.654 -3.310 1.00 0.43 C ATOM 2055 C ASN A 135 5.104 -4.901 -3.315 1.00 0.48 C ATOM 2056 O ASN A 135 4.123 -5.307 -3.938 1.00 0.64 O ATOM 2057 CB ASN A 135 6.362 -6.893 -4.204 1.00 0.58 C ATOM 2058 CG ASN A 135 6.150 -6.548 -5.661 1.00 0.71 C ATOM 2059 OD1 ASN A 135 6.530 -5.472 -6.124 1.00 0.89 O ATOM 2060 ND2 ASN A 135 5.563 -7.468 -6.399 1.00 1.10 N ATOM 0 H ASN A 135 7.768 -5.596 -1.719 1.00 0.36 H new ATOM 0 HA ASN A 135 7.183 -4.983 -3.723 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.286 -7.462 -4.100 1.00 0.58 H new ATOM 0 HB3 ASN A 135 5.551 -7.537 -3.865 1.00 0.58 H new ATOM 0 HD21 ASN A 135 5.408 -7.302 -7.393 1.00 1.10 H new ATOM 0 HD22 ASN A 135 5.263 -8.346 -5.976 1.00 1.10 H new ATOM 2067 N LEU A 136 5.091 -3.803 -2.591 1.00 0.44 N ATOM 2068 CA LEU A 136 4.017 -2.849 -2.649 1.00 0.54 C ATOM 2069 C LEU A 136 4.572 -1.509 -3.052 1.00 0.41 C ATOM 2070 O LEU A 136 5.073 -0.756 -2.220 1.00 0.47 O ATOM 2071 CB LEU A 136 3.352 -2.750 -1.306 1.00 0.78 C ATOM 2072 CG LEU A 136 2.657 -4.015 -0.859 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.293 -3.910 0.606 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.434 -4.256 -1.724 1.00 1.17 C ATOM 0 H LEU A 136 5.835 -3.550 -1.941 1.00 0.44 H new ATOM 0 HA LEU A 136 3.277 -3.171 -3.382 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.101 -2.479 -0.562 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.623 -1.940 -1.334 1.00 0.78 H new ATOM 0 HG LEU A 136 3.326 -4.868 -0.976 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.792 -4.825 0.923 1.00 1.36 H new ATOM 0 HD12 LEU A 136 3.198 -3.769 1.197 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.626 -3.061 0.755 1.00 1.36 H new ATOM 0 HD21 LEU A 136 0.934 -5.169 -1.401 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.749 -3.413 -1.629 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.739 -4.359 -2.765 1.00 1.17 H new ATOM 2086 N VAL A 137 4.495 -1.212 -4.324 1.00 0.31 N ATOM 2087 CA VAL A 137 5.166 -0.041 -4.834 1.00 0.27 C ATOM 2088 C VAL A 137 4.181 1.067 -5.120 1.00 0.29 C ATOM 2089 O VAL A 137 3.317 0.945 -5.989 1.00 0.33 O ATOM 2090 CB VAL A 137 5.983 -0.328 -6.094 1.00 0.29 C ATOM 2091 CG1 VAL A 137 6.772 0.914 -6.481 1.00 0.43 C ATOM 2092 CG2 VAL A 137 6.903 -1.514 -5.865 1.00 0.41 C ATOM 0 H VAL A 137 3.982 -1.755 -5.018 1.00 0.31 H new ATOM 0 HA VAL A 137 5.857 0.274 -4.052 1.00 0.27 H new ATOM 0 HB VAL A 137 5.311 -0.582 -6.914 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.355 0.710 -7.379 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.084 1.737 -6.674 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.444 1.187 -5.667 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.479 -1.708 -6.770 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.583 -1.293 -5.042 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.308 -2.394 -5.618 1.00 0.41 H new ATOM 2102 N PRO A 138 4.296 2.147 -4.356 1.00 0.34 N ATOM 2103 CA PRO A 138 3.462 3.317 -4.505 1.00 0.43 C ATOM 2104 C PRO A 138 3.518 3.898 -5.897 1.00 0.43 C ATOM 2105 O PRO A 138 4.487 3.719 -6.639 1.00 0.45 O ATOM 2106 CB PRO A 138 4.033 4.324 -3.507 1.00 0.53 C ATOM 2107 CG PRO A 138 5.303 3.749 -3.007 1.00 0.54 C ATOM 2108 CD PRO A 138 5.225 2.279 -3.240 1.00 0.39 C ATOM 0 HA PRO A 138 2.415 3.069 -4.329 1.00 0.43 H new ATOM 0 HB2 PRO A 138 4.206 5.288 -3.985 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.336 4.495 -2.687 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.156 4.180 -3.531 1.00 0.54 H new ATOM 0 HG3 PRO A 138 5.436 3.967 -1.947 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.202 1.861 -3.483 1.00 0.39 H new ATOM 0 HD3 PRO A 138 4.864 1.753 -2.356 1.00 0.39 H new ATOM 2116 N GLU A 139 2.484 4.635 -6.214 1.00 0.48 N ATOM 2117 CA GLU A 139 2.357 5.250 -7.528 1.00 0.56 C ATOM 2118 C GLU A 139 3.225 6.492 -7.605 1.00 0.56 C ATOM 2119 O GLU A 139 3.474 7.025 -8.682 1.00 0.64 O ATOM 2120 CB GLU A 139 0.902 5.579 -7.860 1.00 0.71 C ATOM 2121 CG GLU A 139 0.082 4.362 -8.255 1.00 1.35 C ATOM 2122 CD GLU A 139 0.671 3.643 -9.449 1.00 2.40 C ATOM 2123 OE1 GLU A 139 0.324 4.005 -10.585 1.00 2.78 O ATOM 2124 OE2 GLU A 139 1.476 2.705 -9.256 1.00 3.08 O ATOM 0 H GLU A 139 1.708 4.830 -5.581 1.00 0.48 H new ATOM 0 HA GLU A 139 2.701 4.532 -8.273 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.439 6.055 -6.996 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.878 6.304 -8.674 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.024 3.675 -7.411 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -0.938 4.671 -8.485 1.00 1.35 H new ATOM 2131 N GLU A 140 3.690 6.941 -6.449 1.00 0.54 N ATOM 2132 CA GLU A 140 4.722 7.967 -6.397 1.00 0.60 C ATOM 2133 C GLU A 140 6.040 7.406 -6.926 1.00 0.56 C ATOM 2134 O GLU A 140 6.906 8.155 -7.374 1.00 0.65 O ATOM 2135 CB GLU A 140 4.916 8.509 -4.968 1.00 0.67 C ATOM 2136 CG GLU A 140 4.575 7.530 -3.870 1.00 0.63 C ATOM 2137 CD GLU A 140 3.114 7.600 -3.483 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.765 8.433 -2.620 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.316 6.812 -4.027 1.00 1.57 O ATOM 0 H GLU A 140 3.371 6.613 -5.537 1.00 0.54 H new ATOM 0 HA GLU A 140 4.399 8.797 -7.026 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.954 8.820 -4.850 1.00 0.67 H new ATOM 0 HB3 GLU A 140 4.301 9.400 -4.845 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.815 6.519 -4.198 1.00 0.63 H new ATOM 0 HG3 GLU A 140 5.192 7.736 -2.996 1.00 0.63 H new ATOM 2146 N TRP A 141 6.189 6.080 -6.876 1.00 0.47 N ATOM 2147 CA TRP A 141 7.411 5.437 -7.303 1.00 0.49 C ATOM 2148 C TRP A 141 7.201 4.691 -8.621 1.00 0.51 C ATOM 2149 O TRP A 141 8.159 4.303 -9.285 1.00 0.66 O ATOM 2150 CB TRP A 141 7.901 4.493 -6.224 1.00 0.45 C ATOM 2151 CG TRP A 141 8.143 5.154 -4.893 1.00 0.46 C ATOM 2152 CD1 TRP A 141 8.102 6.492 -4.606 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.461 4.497 -3.673 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.363 6.695 -3.274 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.591 5.487 -2.681 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.644 3.163 -3.326 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.895 5.178 -1.363 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 8.945 2.856 -2.015 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.067 3.860 -1.048 1.00 0.52 C ATOM 0 H TRP A 141 5.470 5.438 -6.541 1.00 0.47 H new ATOM 0 HA TRP A 141 8.169 6.202 -7.470 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.169 3.696 -6.094 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.827 4.025 -6.559 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.895 7.273 -5.323 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.383 7.600 -2.804 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.552 2.383 -4.068 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.992 5.950 -0.614 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.089 1.824 -1.731 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.302 3.587 -0.030 1.00 0.52 H new ATOM 2170 N GLY A 142 5.939 4.488 -8.983 1.00 0.45 N ATOM 2171 CA GLY A 142 5.623 3.913 -10.276 1.00 0.50 C ATOM 2172 C GLY A 142 5.398 2.416 -10.233 1.00 0.45 C ATOM 2173 O GLY A 142 5.632 1.724 -11.227 1.00 0.53 O ATOM 0 H GLY A 142 5.130 4.712 -8.404 1.00 0.45 H new ATOM 0 HA2 GLY A 142 4.729 4.396 -10.671 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.435 4.131 -10.970 1.00 0.50 H new ATOM 2177 N GLY A 143 4.954 1.908 -9.091 1.00 0.39 N ATOM 2178 CA GLY A 143 4.637 0.496 -8.994 1.00 0.41 C ATOM 2179 C GLY A 143 3.227 0.210 -9.450 1.00 0.45 C ATOM 2180 O GLY A 143 2.937 0.268 -10.647 1.00 0.60 O ATOM 0 H GLY A 143 4.808 2.444 -8.235 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.339 -0.077 -9.599 1.00 0.41 H new ATOM 0 HA3 GLY A 143 4.761 0.165 -7.963 1.00 0.41 H new ATOM 2184 N ASP A 144 2.350 -0.110 -8.509 1.00 0.40 N ATOM 2185 CA ASP A 144 0.933 -0.233 -8.810 1.00 0.45 C ATOM 2186 C ASP A 144 0.085 -0.199 -7.546 1.00 0.33 C ATOM 2187 O ASP A 144 -0.694 -1.117 -7.238 1.00 0.35 O ATOM 2188 CB ASP A 144 0.647 -1.511 -9.611 1.00 0.64 C ATOM 2189 CG ASP A 144 1.334 -2.747 -9.045 1.00 1.33 C ATOM 2190 OD1 ASP A 144 0.945 -3.229 -7.958 1.00 1.91 O ATOM 2191 OD2 ASP A 144 2.284 -3.244 -9.691 1.00 1.91 O ATOM 0 H ASP A 144 2.594 -0.288 -7.535 1.00 0.40 H new ATOM 0 HA ASP A 144 0.659 0.627 -9.421 1.00 0.45 H new ATOM 0 HB2 ASP A 144 -0.429 -1.682 -9.636 1.00 0.64 H new ATOM 0 HB3 ASP A 144 0.970 -1.365 -10.642 1.00 0.64 H new ATOM 2196 N THR A 145 0.184 0.914 -6.848 1.00 0.26 N ATOM 2197 CA THR A 145 -0.589 1.133 -5.649 1.00 0.24 C ATOM 2198 C THR A 145 -0.601 2.605 -5.273 1.00 0.27 C ATOM 2199 O THR A 145 0.450 3.215 -5.098 1.00 0.37 O ATOM 2200 CB THR A 145 -0.027 0.336 -4.459 1.00 0.25 C ATOM 2201 OG1 THR A 145 -0.089 -1.075 -4.712 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.801 0.668 -3.201 1.00 0.30 C ATOM 0 H THR A 145 0.801 1.687 -7.097 1.00 0.26 H new ATOM 0 HA THR A 145 -1.602 0.794 -5.865 1.00 0.24 H new ATOM 0 HB THR A 145 1.018 0.616 -4.324 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.650 -1.242 -5.498 1.00 0.30 H new ATOM 0 HG21 THR A 145 -0.396 0.099 -2.364 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.714 1.734 -2.991 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.851 0.410 -3.341 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.784 3.181 -5.140 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.897 4.523 -4.630 1.00 0.28 C ATOM 2212 C ILE A 146 -1.648 4.509 -3.127 1.00 0.23 C ATOM 2213 O ILE A 146 -2.473 4.034 -2.343 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.276 5.137 -4.943 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.399 5.443 -6.438 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.508 6.390 -4.119 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.430 6.499 -6.922 1.00 0.63 C ATOM 0 H ILE A 146 -2.671 2.737 -5.379 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.149 5.145 -5.122 1.00 0.28 H new ATOM 0 HB ILE A 146 -4.043 4.410 -4.676 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.235 4.525 -7.003 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.417 5.771 -6.651 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.487 6.806 -4.357 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.467 6.141 -3.059 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.736 7.125 -4.349 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.575 6.664 -7.990 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.608 7.430 -6.384 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.408 6.165 -6.742 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.474 4.970 -2.746 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.090 5.053 -1.347 1.00 0.30 C ATOM 2231 C PHE A 147 -0.541 6.378 -0.751 1.00 0.32 C ATOM 2232 O PHE A 147 -0.125 7.447 -1.201 1.00 0.50 O ATOM 2233 CB PHE A 147 1.421 4.926 -1.210 1.00 0.41 C ATOM 2234 CG PHE A 147 1.920 3.516 -1.097 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.686 2.613 -2.109 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.629 3.092 0.017 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.147 1.316 -2.025 1.00 0.33 C ATOM 2238 CE2 PHE A 147 3.092 1.794 0.108 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.852 0.905 -0.915 1.00 0.33 C ATOM 0 H PHE A 147 0.242 5.298 -3.395 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.572 4.237 -0.809 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.892 5.396 -2.073 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.741 5.483 -0.329 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.133 2.925 -2.982 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.821 3.785 0.823 1.00 0.37 H new ATOM 0 HE1 PHE A 147 1.955 0.622 -2.830 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.642 1.477 0.982 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.215 -0.110 -0.848 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.403 6.312 0.234 1.00 0.26 N ATOM 2250 CA CYS A 148 -1.841 7.500 0.940 1.00 0.27 C ATOM 2251 C CYS A 148 -1.115 7.626 2.275 1.00 0.31 C ATOM 2252 O CYS A 148 -0.812 6.628 2.916 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.347 7.433 1.159 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.307 7.291 -0.369 1.00 0.68 S ATOM 0 H CYS A 148 -1.820 5.444 0.570 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.604 8.379 0.341 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.573 6.580 1.799 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.666 8.327 1.695 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.113 8.306 -0.471 1.00 0.68 H new ATOM 2260 N LYS A 149 -0.813 8.853 2.670 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.207 9.128 3.970 1.00 0.28 C ATOM 2262 C LYS A 149 -1.162 9.975 4.797 1.00 0.28 C ATOM 2263 O LYS A 149 -1.115 11.202 4.755 1.00 0.40 O ATOM 2264 CB LYS A 149 1.117 9.876 3.795 1.00 0.36 C ATOM 2265 CG LYS A 149 2.195 9.089 3.068 1.00 0.56 C ATOM 2266 CD LYS A 149 3.359 9.987 2.687 1.00 0.89 C ATOM 2267 CE LYS A 149 4.486 9.202 2.041 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.545 10.093 1.497 1.00 1.44 N ATOM 0 H LYS A 149 -0.979 9.685 2.104 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.011 8.184 4.478 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.928 10.800 3.248 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.492 10.159 4.778 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.550 8.278 3.704 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.775 8.632 2.172 1.00 0.56 H new ATOM 0 HD2 LYS A 149 3.013 10.759 2.000 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.733 10.495 3.576 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.923 8.525 2.775 1.00 1.01 H new ATOM 0 HE3 LYS A 149 4.084 8.585 1.238 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 6.478 9.752 1.805 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.501 10.090 0.458 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.398 11.061 1.847 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.024 9.315 5.540 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.104 9.970 6.232 1.00 0.22 C ATOM 2284 C LEU A 150 -3.003 9.810 7.738 1.00 0.19 C ATOM 2285 O LEU A 150 -2.135 9.129 8.275 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.401 9.326 5.802 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.479 7.855 6.123 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.843 7.493 6.646 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -4.147 7.040 4.892 1.00 0.84 C ATOM 0 H LEU A 150 -1.992 8.305 5.679 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.059 11.031 5.988 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.231 9.840 6.287 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.526 9.462 4.728 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.750 7.630 6.902 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.875 6.427 6.871 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -6.047 8.061 7.553 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.595 7.728 5.893 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -4.205 5.978 5.132 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -4.858 7.273 4.099 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -3.138 7.281 4.557 1.00 0.84 H new ATOM 2301 N SER A 151 -3.920 10.455 8.400 1.00 0.26 N ATOM 2302 CA SER A 151 -4.220 10.204 9.775 1.00 0.29 C ATOM 2303 C SER A 151 -5.719 10.020 9.882 1.00 0.25 C ATOM 2304 O SER A 151 -6.471 10.988 9.798 1.00 0.29 O ATOM 2305 CB SER A 151 -3.778 11.382 10.615 1.00 0.46 C ATOM 2306 OG SER A 151 -4.129 12.600 9.991 1.00 1.77 O ATOM 0 H SER A 151 -4.493 11.189 7.985 1.00 0.26 H new ATOM 0 HA SER A 151 -3.699 9.316 10.133 1.00 0.29 H new ATOM 0 HB2 SER A 151 -4.240 11.326 11.601 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.699 11.343 10.766 1.00 0.46 H new ATOM 0 HG SER A 151 -4.142 13.318 10.658 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.166 8.784 9.996 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.586 8.534 10.173 1.00 0.31 C ATOM 2314 C ALA A 152 -8.008 9.042 11.536 1.00 0.33 C ATOM 2315 O ALA A 152 -9.178 9.311 11.788 1.00 0.41 O ATOM 2316 CB ALA A 152 -7.901 7.061 10.015 1.00 0.41 C ATOM 0 H ALA A 152 -5.580 7.950 9.970 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.147 9.065 9.404 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -8.970 6.901 10.152 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -7.610 6.732 9.018 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.350 6.489 10.761 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.013 9.179 12.402 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.200 9.763 13.708 1.00 0.34 C ATOM 2324 C LYS A 153 -7.610 11.233 13.596 1.00 0.36 C ATOM 2325 O LYS A 153 -8.684 11.611 14.056 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.915 9.622 14.494 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.115 9.465 15.981 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.510 10.775 16.634 1.00 1.12 C ATOM 2329 CE LYS A 153 -6.665 10.632 18.135 1.00 1.65 C ATOM 2330 NZ LYS A 153 -6.968 11.934 18.777 1.00 2.30 N ATOM 0 H LYS A 153 -6.055 8.886 12.211 1.00 0.30 H new ATOM 0 HA LYS A 153 -8.004 9.240 14.227 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.366 8.758 14.119 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.293 10.499 14.313 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.886 8.718 16.168 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.196 9.094 16.435 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -5.756 11.531 16.417 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.447 11.127 16.204 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -7.464 9.923 18.353 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -5.749 10.221 18.559 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -7.068 11.800 19.804 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -6.194 12.602 18.589 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -7.855 12.314 18.390 1.00 2.30 H new ATOM 2344 N THR A 154 -6.769 12.069 12.974 1.00 0.30 N ATOM 2345 CA THR A 154 -7.095 13.489 12.870 1.00 0.39 C ATOM 2346 C THR A 154 -7.909 13.802 11.620 1.00 0.36 C ATOM 2347 O THR A 154 -8.180 14.965 11.318 1.00 0.41 O ATOM 2348 CB THR A 154 -5.845 14.390 12.935 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.771 13.818 12.184 1.00 0.50 O ATOM 2350 CG2 THR A 154 -5.408 14.600 14.375 1.00 0.70 C ATOM 0 H THR A 154 -5.884 11.794 12.548 1.00 0.30 H new ATOM 0 HA THR A 154 -7.711 13.714 13.741 1.00 0.39 H new ATOM 0 HB THR A 154 -6.105 15.355 12.501 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.987 14.404 12.235 1.00 0.50 H new ATOM 0 HG21 THR A 154 -4.525 15.238 14.398 1.00 0.70 H new ATOM 0 HG22 THR A 154 -6.214 15.075 14.934 1.00 0.70 H new ATOM 0 HG23 THR A 154 -5.171 13.637 14.828 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.276 12.749 10.896 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.243 12.847 9.802 1.00 0.32 C ATOM 2360 C LYS A 155 -8.727 13.713 8.669 1.00 0.34 C ATOM 2361 O LYS A 155 -9.434 14.570 8.146 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.581 13.393 10.311 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.365 12.394 11.137 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.567 11.110 10.360 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.590 10.203 11.020 1.00 0.61 C ATOM 2366 NZ LYS A 155 -13.914 10.859 11.165 1.00 1.36 N ATOM 0 H LYS A 155 -7.915 11.807 11.048 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.393 11.840 9.413 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.396 14.284 10.911 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.186 13.703 9.459 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.835 12.185 12.066 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.332 12.817 11.410 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.892 11.346 9.347 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.616 10.584 10.275 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -12.700 9.293 10.430 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.226 9.903 12.003 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.664 10.192 10.891 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -14.052 11.147 12.155 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.955 11.698 10.551 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.494 13.470 8.279 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.871 14.286 7.238 1.00 0.33 C ATOM 2382 C GLU A 156 -6.805 13.524 5.909 1.00 0.28 C ATOM 2383 O GLU A 156 -7.327 13.965 4.873 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.483 14.772 7.724 1.00 0.40 C ATOM 2385 CG GLU A 156 -4.266 13.985 7.248 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.678 14.522 5.957 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.253 15.695 5.930 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -3.671 13.781 4.951 1.00 2.48 O ATOM 0 H GLU A 156 -6.904 12.728 8.655 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.482 15.169 7.049 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.359 15.809 7.411 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.485 14.766 8.814 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -3.501 14.005 8.025 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -4.548 12.942 7.105 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.233 12.342 5.956 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.010 11.599 4.754 1.00 0.28 C ATOM 2397 C GLY A 157 -7.175 10.721 4.388 1.00 0.27 C ATOM 2398 O GLY A 157 -7.106 9.982 3.421 1.00 0.29 O ATOM 0 H GLY A 157 -5.918 11.884 6.811 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.811 12.291 3.936 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.119 10.982 4.873 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.240 10.782 5.173 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.456 10.062 4.836 1.00 0.28 C ATOM 2404 C LEU A 158 -10.184 10.802 3.732 1.00 0.30 C ATOM 2405 O LEU A 158 -10.755 10.194 2.827 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.352 9.889 6.059 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.890 8.814 7.047 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.934 8.596 8.130 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.603 7.511 6.317 1.00 0.80 C ATOM 0 H LEU A 158 -8.286 11.318 6.040 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.192 9.064 4.486 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.414 10.842 6.584 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.359 9.644 5.722 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.970 9.157 7.521 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.586 7.828 8.821 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.095 9.527 8.673 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.870 8.276 7.673 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.276 6.757 7.033 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.508 7.167 5.817 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.819 7.673 5.577 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.134 12.125 3.799 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.633 12.950 2.716 1.00 0.38 C ATOM 2423 C ASP A 159 -9.731 12.791 1.505 1.00 0.32 C ATOM 2424 O ASP A 159 -10.202 12.681 0.377 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.712 14.422 3.127 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.952 14.733 3.939 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -11.953 14.464 5.157 1.00 2.20 O ATOM 2428 OD2 ASP A 159 -12.932 15.250 3.364 1.00 1.42 O ATOM 0 H ASP A 159 -9.754 12.645 4.590 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.642 12.622 2.468 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -9.827 14.681 3.708 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -10.701 15.046 2.234 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.421 12.746 1.751 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.465 12.531 0.670 1.00 0.30 C ATOM 2435 C HIS A 160 -7.507 11.076 0.180 1.00 0.28 C ATOM 2436 O HIS A 160 -7.005 10.761 -0.895 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.051 12.910 1.124 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.008 12.770 0.055 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -4.763 13.733 -0.895 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.135 11.767 -0.198 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -3.784 13.332 -1.686 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.382 12.141 -1.283 1.00 0.54 N ATOM 0 H HIS A 160 -8.004 12.854 2.676 1.00 0.30 H new ATOM 0 HA HIS A 160 -7.744 13.174 -0.165 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.058 13.941 1.477 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -5.773 12.284 1.972 1.00 0.34 H new ATOM 0 HD1 HIS A 160 -5.260 14.620 -0.976 1.00 0.52 H new ATOM 0 HD2 HIS A 160 -4.047 10.842 0.353 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.381 13.885 -2.521 1.00 0.58 H new ATOM 2451 N LEU A 161 -8.118 10.198 0.958 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.208 8.793 0.584 1.00 0.28 C ATOM 2453 C LEU A 161 -9.280 8.608 -0.472 1.00 0.29 C ATOM 2454 O LEU A 161 -9.035 8.026 -1.524 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.527 7.921 1.805 1.00 0.29 C ATOM 2456 CG LEU A 161 -7.566 6.754 2.052 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.970 5.989 3.302 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -7.527 5.825 0.851 1.00 1.16 C ATOM 0 H LEU A 161 -8.558 10.430 1.849 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.244 8.483 0.181 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.535 8.556 2.691 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.535 7.521 1.691 1.00 0.29 H new ATOM 0 HG LEU A 161 -6.566 7.161 2.202 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.277 5.163 3.463 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.944 6.658 4.162 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -8.979 5.597 3.178 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -6.838 5.004 1.049 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.525 5.426 0.667 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -7.190 6.378 -0.026 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.459 9.141 -0.195 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.584 9.003 -1.098 1.00 0.37 C ATOM 2472 C LEU A 162 -11.317 9.706 -2.428 1.00 0.38 C ATOM 2473 O LEU A 162 -11.812 9.272 -3.464 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.866 9.520 -0.427 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.845 10.975 0.063 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.196 11.945 -1.058 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.802 11.146 1.232 1.00 1.51 C ATOM 0 H LEU A 162 -10.659 9.674 0.651 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.722 7.945 -1.323 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.689 9.410 -1.133 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.089 8.877 0.424 1.00 0.47 H new ATOM 0 HG LEU A 162 -11.832 11.205 0.395 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.172 12.966 -0.677 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -12.473 11.843 -1.867 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.195 11.721 -1.433 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.780 12.181 1.572 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.813 10.890 0.915 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.500 10.489 2.048 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.516 10.773 -2.407 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.180 11.472 -3.644 1.00 0.44 C ATOM 2491 C GLU A 163 -9.229 10.626 -4.483 1.00 0.41 C ATOM 2492 O GLU A 163 -9.334 10.593 -5.709 1.00 0.50 O ATOM 2493 CB GLU A 163 -9.570 12.856 -3.376 1.00 0.56 C ATOM 2494 CG GLU A 163 -8.193 12.814 -2.737 1.00 1.03 C ATOM 2495 CD GLU A 163 -7.511 14.165 -2.709 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -7.089 14.641 -3.779 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -7.365 14.743 -1.613 1.00 2.57 O ATOM 0 H GLU A 163 -10.096 11.164 -1.564 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.107 11.627 -4.196 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -9.505 13.401 -4.318 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -10.242 13.418 -2.728 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -8.283 12.438 -1.718 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -7.567 12.109 -3.283 1.00 1.03 H new ATOM 2504 N MET A 164 -8.314 9.922 -3.820 1.00 0.37 N ATOM 2505 CA MET A 164 -7.398 9.023 -4.512 1.00 0.39 C ATOM 2506 C MET A 164 -8.150 7.799 -5.007 1.00 0.37 C ATOM 2507 O MET A 164 -7.898 7.296 -6.098 1.00 0.43 O ATOM 2508 CB MET A 164 -6.249 8.593 -3.597 1.00 0.43 C ATOM 2509 CG MET A 164 -5.288 9.712 -3.204 1.00 0.64 C ATOM 2510 SD MET A 164 -4.313 10.354 -4.584 1.00 0.58 S ATOM 2511 CE MET A 164 -5.474 11.484 -5.350 1.00 0.53 C ATOM 0 H MET A 164 -8.189 9.957 -2.808 1.00 0.37 H new ATOM 0 HA MET A 164 -6.974 9.558 -5.362 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.669 8.159 -2.690 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.683 7.805 -4.094 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.858 10.530 -2.763 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.611 9.343 -2.434 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.699 11.144 -6.361 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.393 11.514 -4.764 1.00 0.53 H new ATOM 0 HE3 MET A 164 -5.037 12.482 -5.391 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.085 7.331 -4.196 1.00 0.34 N ATOM 2522 CA ILE A 165 -9.925 6.205 -4.568 1.00 0.38 C ATOM 2523 C ILE A 165 -10.820 6.558 -5.752 1.00 0.44 C ATOM 2524 O ILE A 165 -10.918 5.790 -6.705 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.803 5.739 -3.391 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.930 5.146 -2.283 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.831 4.723 -3.864 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.707 4.750 -1.049 1.00 0.50 C ATOM 0 H ILE A 165 -9.282 7.716 -3.272 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.256 5.392 -4.850 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.335 6.601 -2.989 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.409 4.271 -2.671 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.167 5.873 -2.004 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.443 4.404 -3.020 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.468 5.177 -4.623 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.320 3.859 -4.288 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.024 4.338 -0.306 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.206 5.627 -0.636 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.452 3.999 -1.313 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.465 7.718 -5.697 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.353 8.142 -6.774 1.00 0.57 C ATOM 2542 C LEU A 166 -11.546 8.431 -8.021 1.00 0.61 C ATOM 2543 O LEU A 166 -12.033 8.285 -9.136 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.188 9.361 -6.345 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.517 10.744 -6.420 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -12.620 11.341 -7.817 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.143 11.685 -5.404 1.00 1.38 C ATOM 0 H LEU A 166 -11.391 8.378 -4.923 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.051 7.335 -6.999 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.085 9.389 -6.963 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -13.514 9.201 -5.317 1.00 0.66 H new ATOM 0 HG LEU A 166 -11.460 10.614 -6.189 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -12.135 12.317 -7.832 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -12.129 10.681 -8.532 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -13.670 11.453 -8.088 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -12.661 12.660 -5.466 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -14.207 11.792 -5.615 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -13.011 11.278 -4.401 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.315 8.854 -7.812 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.356 8.988 -8.902 1.00 0.64 C ATOM 2561 C LEU A 167 -9.253 7.657 -9.638 1.00 0.66 C ATOM 2562 O LEU A 167 -9.416 7.594 -10.853 1.00 0.75 O ATOM 2563 CB LEU A 167 -7.985 9.422 -8.350 1.00 0.64 C ATOM 2564 CG LEU A 167 -6.959 9.947 -9.373 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.368 8.818 -10.201 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -7.592 10.997 -10.274 1.00 1.51 C ATOM 0 H LEU A 167 -9.950 9.113 -6.895 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.692 9.754 -9.601 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.150 10.200 -7.604 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.543 8.571 -7.831 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.144 10.410 -8.816 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -5.649 9.226 -10.911 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -5.866 8.109 -9.543 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.165 8.309 -10.743 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -6.852 11.356 -10.990 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -8.433 10.557 -10.811 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -7.945 11.831 -9.668 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.014 6.596 -8.882 1.00 0.61 N ATOM 2579 CA VAL A 168 -8.956 5.259 -9.432 1.00 0.69 C ATOM 2580 C VAL A 168 -10.324 4.827 -9.963 1.00 0.77 C ATOM 2581 O VAL A 168 -10.417 4.212 -11.024 1.00 0.89 O ATOM 2582 CB VAL A 168 -8.472 4.252 -8.371 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -8.390 2.863 -8.965 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.125 4.672 -7.806 1.00 0.66 C ATOM 0 H VAL A 168 -8.856 6.642 -7.875 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.246 5.273 -10.259 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.193 4.238 -7.554 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.047 2.162 -8.204 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -9.375 2.560 -9.320 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -7.689 2.865 -9.800 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -6.802 3.947 -7.059 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.391 4.716 -8.610 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.215 5.655 -7.343 1.00 0.66 H new