USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 880 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 49 GLN : amide:sc= 0.182 X(o=0.36,f=0.3) USER MOD Set 1.2: A 58 THR OG1 : rot 170:sc= 0.182 USER MOD Set 2.1: A 16 HIS : no HD1:sc= -2.94! C(o=-3.8!,f=-8!) USER MOD Set 2.2: A 93 MET CE :methyl -119:sc= -0.84 (180deg=-2.58!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0331) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00727 USER MOD Single : A 30 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 96:sc= -2.51! USER MOD Single : A 95 GLN : amide:sc= 0.96 K(o=0.96,f=-7.4!) USER MOD Single : A 96 THR OG1 : rot -150:sc= 0.0574 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= -1.18 (180deg=-1.37) USER MOD Single : A 107 ASN : amide:sc= 0.0834 X(o=0.083,f=0) USER MOD Single : A 115 ASN : amide:sc= -0.332 K(o=-0.33,f=-7.6!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -108:sc= -0.181 (180deg=-3.77!) USER MOD Single : A 123 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 128 MET CE :methyl -162:sc= -1.79 (180deg=-2.65!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 132 MET CE :methyl 157:sc= -2.28! (180deg=-4.52!) USER MOD Single : A 134 TYR OH : rot 130:sc= 0 USER MOD Single : A 135 ASN :FLIP amide:sc= -0.0304 F(o=-1.1!,f=-0.03) USER MOD Single : A 145 THR OG1 : rot -40:sc= -3.79! USER MOD Single : A 148 CYS SG : rot 86:sc= -0.245 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 6:sc= 0.995 USER MOD Single : A 153 LYS NZ :NH3+ 164:sc=-0.00664 (180deg=-0.193) USER MOD Single : A 154 THR OG1 : rot -170:sc= -2.86! USER MOD Single : A 155 LYS NZ :NH3+ -151:sc= -0.97 (180deg=-2.62!) USER MOD Single : A 160 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-0.75) USER MOD Single : A 164 MET CE :methyl -134:sc= -0.781 (180deg=-2.84) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -14.309 2.558 -5.001 1.00 0.67 N ATOM 156 CA VAL A 11 -12.934 2.245 -4.727 1.00 0.60 C ATOM 157 C VAL A 11 -12.811 1.447 -3.433 1.00 0.56 C ATOM 158 O VAL A 11 -13.266 1.881 -2.373 1.00 0.74 O ATOM 159 CB VAL A 11 -12.116 3.544 -4.649 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.724 3.267 -4.148 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.066 4.222 -6.013 1.00 0.98 C ATOM 0 HA VAL A 11 -12.541 1.629 -5.536 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.605 4.216 -3.944 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.162 4.200 -4.100 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.777 2.824 -3.153 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -10.224 2.576 -4.827 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.483 5.140 -5.942 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.600 3.552 -6.736 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -13.079 4.459 -6.339 1.00 0.98 H new ATOM 171 N THR A 12 -12.207 0.275 -3.534 1.00 0.46 N ATOM 172 CA THR A 12 -12.067 -0.610 -2.393 1.00 0.45 C ATOM 173 C THR A 12 -10.688 -0.460 -1.758 1.00 0.39 C ATOM 174 O THR A 12 -9.663 -0.541 -2.441 1.00 0.43 O ATOM 175 CB THR A 12 -12.294 -2.081 -2.802 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.574 -2.218 -3.432 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.223 -3.003 -1.593 1.00 0.62 C ATOM 0 H THR A 12 -11.805 -0.086 -4.399 1.00 0.46 H new ATOM 0 HA THR A 12 -12.826 -0.329 -1.663 1.00 0.45 H new ATOM 0 HB THR A 12 -11.506 -2.364 -3.500 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.713 -3.153 -3.691 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.387 -4.033 -1.911 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.241 -2.918 -1.128 1.00 0.62 H new ATOM 0 HG23 THR A 12 -12.991 -2.719 -0.873 1.00 0.62 H new ATOM 185 N ILE A 13 -10.670 -0.219 -0.455 1.00 0.39 N ATOM 186 CA ILE A 13 -9.421 -0.116 0.274 1.00 0.38 C ATOM 187 C ILE A 13 -8.922 -1.496 0.674 1.00 0.37 C ATOM 188 O ILE A 13 -9.561 -2.208 1.452 1.00 0.51 O ATOM 189 CB ILE A 13 -9.552 0.775 1.524 1.00 0.50 C ATOM 190 CG1 ILE A 13 -9.934 2.199 1.115 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.248 0.780 2.315 1.00 0.80 C ATOM 192 CD1 ILE A 13 -9.970 3.167 2.271 1.00 1.03 C ATOM 0 H ILE A 13 -11.506 -0.092 0.115 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.698 0.352 -0.394 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.338 0.370 2.162 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.222 2.559 0.372 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -10.913 2.181 0.636 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.358 1.414 3.195 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.009 -0.236 2.628 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.444 1.165 1.688 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -10.248 4.157 1.908 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -10.703 2.831 3.005 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -8.986 3.214 2.737 1.00 1.03 H new ATOM 204 N MET A 14 -7.782 -1.860 0.127 1.00 0.31 N ATOM 205 CA MET A 14 -7.158 -3.146 0.413 1.00 0.35 C ATOM 206 C MET A 14 -5.936 -2.950 1.289 1.00 0.29 C ATOM 207 O MET A 14 -5.652 -1.832 1.709 1.00 0.46 O ATOM 208 CB MET A 14 -6.762 -3.858 -0.878 1.00 0.56 C ATOM 209 CG MET A 14 -7.942 -4.420 -1.646 1.00 0.75 C ATOM 210 SD MET A 14 -8.912 -5.574 -0.662 1.00 1.04 S ATOM 211 CE MET A 14 -9.934 -6.299 -1.933 1.00 0.77 C ATOM 0 H MET A 14 -7.258 -1.279 -0.527 1.00 0.31 H new ATOM 0 HA MET A 14 -7.883 -3.766 0.941 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.222 -3.160 -1.517 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.074 -4.669 -0.640 1.00 0.56 H new ATOM 0 HG2 MET A 14 -8.581 -3.601 -1.976 1.00 0.75 H new ATOM 0 HG3 MET A 14 -7.582 -4.924 -2.543 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.598 -7.040 -1.488 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.528 -5.520 -2.410 1.00 0.77 H new ATOM 0 HE3 MET A 14 -9.301 -6.780 -2.678 1.00 0.77 H new ATOM 221 N GLY A 15 -5.207 -4.019 1.559 1.00 0.34 N ATOM 222 CA GLY A 15 -4.068 -3.915 2.410 1.00 0.45 C ATOM 223 C GLY A 15 -4.341 -4.542 3.744 1.00 0.62 C ATOM 224 O GLY A 15 -5.425 -4.372 4.306 1.00 1.55 O ATOM 0 H GLY A 15 -5.393 -4.955 1.198 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.213 -4.403 1.942 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -3.803 -2.866 2.544 1.00 0.45 H new ATOM 228 N HIS A 16 -3.380 -5.320 4.193 1.00 0.51 N ATOM 229 CA HIS A 16 -3.398 -5.934 5.520 1.00 0.45 C ATOM 230 C HIS A 16 -4.016 -4.991 6.556 1.00 0.49 C ATOM 231 O HIS A 16 -3.622 -3.831 6.678 1.00 0.64 O ATOM 232 CB HIS A 16 -1.969 -6.321 5.918 1.00 0.43 C ATOM 233 CG HIS A 16 -1.852 -6.969 7.263 1.00 0.48 C ATOM 234 ND1 HIS A 16 -2.414 -8.193 7.520 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.224 -6.529 8.376 1.00 0.50 C ATOM 236 CE1 HIS A 16 -2.119 -8.472 8.776 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.398 -7.490 9.336 1.00 0.59 N ATOM 0 H HIS A 16 -2.550 -5.552 3.647 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.017 -6.831 5.487 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -1.567 -7.000 5.166 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.347 -5.426 5.905 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -0.688 -5.598 8.487 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -2.420 -9.375 9.287 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.047 -7.464 10.293 1.00 0.59 H new ATOM 245 N VAL A 17 -4.988 -5.517 7.297 1.00 0.53 N ATOM 246 CA VAL A 17 -5.829 -4.728 8.201 1.00 0.67 C ATOM 247 C VAL A 17 -5.021 -3.927 9.229 1.00 0.64 C ATOM 248 O VAL A 17 -5.503 -2.935 9.770 1.00 0.78 O ATOM 249 CB VAL A 17 -6.835 -5.649 8.938 1.00 0.87 C ATOM 250 CG1 VAL A 17 -6.117 -6.597 9.889 1.00 1.55 C ATOM 251 CG2 VAL A 17 -7.888 -4.838 9.680 1.00 1.62 C ATOM 0 H VAL A 17 -5.218 -6.511 7.289 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.361 -4.009 7.578 1.00 0.67 H new ATOM 0 HB VAL A 17 -7.344 -6.248 8.182 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -6.848 -7.231 10.392 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -5.423 -7.221 9.326 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -5.566 -6.019 10.631 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -8.578 -5.514 10.186 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -7.402 -4.197 10.416 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -8.439 -4.221 8.970 1.00 1.62 H new ATOM 261 N ASP A 18 -3.791 -4.343 9.479 1.00 0.57 N ATOM 262 CA ASP A 18 -2.964 -3.712 10.499 1.00 0.61 C ATOM 263 C ASP A 18 -2.078 -2.607 9.910 1.00 0.56 C ATOM 264 O ASP A 18 -1.462 -1.835 10.644 1.00 0.69 O ATOM 265 CB ASP A 18 -2.113 -4.780 11.193 1.00 0.69 C ATOM 266 CG ASP A 18 -1.163 -4.217 12.227 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.636 -3.731 13.277 1.00 1.17 O ATOM 268 OD2 ASP A 18 0.061 -4.277 12.006 1.00 1.78 O ATOM 0 H ASP A 18 -3.340 -5.116 8.990 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.619 -3.237 11.230 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -2.772 -5.503 11.673 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -1.539 -5.321 10.441 1.00 0.69 H new ATOM 273 N HIS A 19 -2.054 -2.496 8.585 1.00 0.46 N ATOM 274 CA HIS A 19 -1.167 -1.543 7.918 1.00 0.48 C ATOM 275 C HIS A 19 -1.690 -0.107 7.991 1.00 0.58 C ATOM 276 O HIS A 19 -0.995 0.833 7.603 1.00 0.65 O ATOM 277 CB HIS A 19 -0.944 -1.947 6.460 1.00 0.46 C ATOM 278 CG HIS A 19 0.127 -2.981 6.288 1.00 0.40 C ATOM 279 ND1 HIS A 19 0.179 -3.794 5.177 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.179 -3.267 7.091 1.00 0.56 C ATOM 281 CE1 HIS A 19 1.254 -4.546 5.332 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.890 -4.261 6.475 1.00 0.48 N ATOM 0 H HIS A 19 -2.634 -3.049 7.954 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.216 -1.570 8.451 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.878 -2.330 6.050 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.681 -1.062 5.881 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.412 -2.800 8.037 1.00 0.56 H new ATOM 0 HE1 HIS A 19 1.579 -5.296 4.626 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.743 -4.701 6.821 1.00 0.48 H new ATOM 290 N GLY A 20 -2.905 0.065 8.494 1.00 0.76 N ATOM 291 CA GLY A 20 -3.437 1.403 8.678 1.00 0.90 C ATOM 292 C GLY A 20 -4.454 1.780 7.621 1.00 0.81 C ATOM 293 O GLY A 20 -4.412 2.881 7.072 1.00 0.93 O ATOM 0 H GLY A 20 -3.529 -0.691 8.776 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.900 1.473 9.662 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.617 2.121 8.659 1.00 0.90 H new ATOM 297 N LYS A 21 -5.382 0.878 7.349 1.00 0.79 N ATOM 298 CA LYS A 21 -6.434 1.150 6.382 1.00 0.87 C ATOM 299 C LYS A 21 -7.609 1.842 7.064 1.00 0.89 C ATOM 300 O LYS A 21 -8.373 2.568 6.426 1.00 0.93 O ATOM 301 CB LYS A 21 -6.886 -0.142 5.692 1.00 1.09 C ATOM 302 CG LYS A 21 -7.443 -1.195 6.640 1.00 1.20 C ATOM 303 CD LYS A 21 -7.551 -2.557 5.967 1.00 1.39 C ATOM 304 CE LYS A 21 -8.544 -2.566 4.812 1.00 1.73 C ATOM 305 NZ LYS A 21 -9.947 -2.394 5.277 1.00 2.11 N ATOM 0 H LYS A 21 -5.429 -0.045 7.781 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.038 1.817 5.616 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -7.647 0.102 4.951 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -6.040 -0.567 5.152 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -6.800 -1.272 7.517 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.426 -0.884 6.992 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -6.569 -2.854 5.599 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.853 -3.300 6.706 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -8.294 -1.767 4.114 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -8.456 -3.506 4.267 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -10.595 -2.491 4.469 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -10.169 -3.120 5.988 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -10.059 -1.450 5.700 1.00 2.11 H new ATOM 319 N THR A 22 -7.733 1.637 8.372 1.00 0.92 N ATOM 320 CA THR A 22 -8.790 2.283 9.134 1.00 1.00 C ATOM 321 C THR A 22 -8.487 3.768 9.303 1.00 0.99 C ATOM 322 O THR A 22 -9.397 4.593 9.380 1.00 1.03 O ATOM 323 CB THR A 22 -9.001 1.627 10.521 1.00 1.10 C ATOM 324 OG1 THR A 22 -10.084 2.272 11.205 1.00 1.80 O ATOM 325 CG2 THR A 22 -7.743 1.705 11.375 1.00 1.65 C ATOM 0 H THR A 22 -7.119 1.034 8.920 1.00 0.92 H new ATOM 0 HA THR A 22 -9.714 2.159 8.569 1.00 1.00 H new ATOM 0 HB THR A 22 -9.237 0.575 10.359 1.00 1.10 H new ATOM 0 HG1 THR A 22 -10.214 1.852 12.081 1.00 1.80 H new ATOM 0 HG21 THR A 22 -7.929 1.235 12.341 1.00 1.65 H new ATOM 0 HG22 THR A 22 -6.928 1.187 10.870 1.00 1.65 H new ATOM 0 HG23 THR A 22 -7.470 2.749 11.527 1.00 1.65 H new ATOM 333 N THR A 23 -7.202 4.103 9.334 1.00 0.99 N ATOM 334 CA THR A 23 -6.789 5.483 9.495 1.00 1.02 C ATOM 335 C THR A 23 -6.987 6.263 8.202 1.00 0.96 C ATOM 336 O THR A 23 -7.165 7.472 8.229 1.00 0.96 O ATOM 337 CB THR A 23 -5.322 5.582 9.956 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.505 4.688 9.193 1.00 1.77 O ATOM 339 CG2 THR A 23 -5.191 5.250 11.432 1.00 1.41 C ATOM 0 H THR A 23 -6.434 3.437 9.250 1.00 0.99 H new ATOM 0 HA THR A 23 -7.418 5.923 10.269 1.00 1.02 H new ATOM 0 HB THR A 23 -4.989 6.608 9.798 1.00 1.12 H new ATOM 0 HG1 THR A 23 -3.574 4.759 9.492 1.00 1.77 H new ATOM 0 HG21 THR A 23 -4.146 5.328 11.731 1.00 1.41 H new ATOM 0 HG22 THR A 23 -5.789 5.949 12.017 1.00 1.41 H new ATOM 0 HG23 THR A 23 -5.545 4.234 11.609 1.00 1.41 H new ATOM 347 N LEU A 24 -6.967 5.566 7.069 1.00 0.96 N ATOM 348 CA LEU A 24 -7.277 6.205 5.797 1.00 0.96 C ATOM 349 C LEU A 24 -8.742 6.590 5.783 1.00 0.89 C ATOM 350 O LEU A 24 -9.081 7.748 5.591 1.00 0.91 O ATOM 351 CB LEU A 24 -6.968 5.278 4.621 1.00 1.06 C ATOM 352 CG LEU A 24 -5.508 4.838 4.491 1.00 0.88 C ATOM 353 CD1 LEU A 24 -5.300 4.098 3.183 1.00 1.78 C ATOM 354 CD2 LEU A 24 -4.572 6.033 4.580 1.00 1.57 C ATOM 0 H LEU A 24 -6.743 4.573 7.007 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.656 7.094 5.690 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -7.590 4.388 4.710 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.261 5.780 3.699 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.277 4.165 5.317 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -4.258 3.790 3.101 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -5.942 3.218 3.157 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -5.551 4.754 2.350 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -3.540 5.695 4.485 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -4.800 6.734 3.777 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -4.704 6.528 5.542 1.00 1.57 H new ATOM 366 N LEU A 25 -9.598 5.614 6.044 1.00 0.88 N ATOM 367 CA LEU A 25 -11.039 5.832 6.057 1.00 0.91 C ATOM 368 C LEU A 25 -11.388 7.015 6.964 1.00 0.89 C ATOM 369 O LEU A 25 -12.222 7.851 6.625 1.00 0.92 O ATOM 370 CB LEU A 25 -11.734 4.552 6.551 1.00 1.02 C ATOM 371 CG LEU A 25 -13.145 4.278 6.007 1.00 1.21 C ATOM 372 CD1 LEU A 25 -14.147 5.299 6.521 1.00 1.76 C ATOM 373 CD2 LEU A 25 -13.136 4.253 4.485 1.00 1.96 C ATOM 0 H LEU A 25 -9.318 4.655 6.251 1.00 0.88 H new ATOM 0 HA LEU A 25 -11.383 6.065 5.049 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.101 3.702 6.298 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.791 4.594 7.639 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.456 3.298 6.369 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -15.134 5.075 6.117 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -14.183 5.258 7.610 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -13.843 6.297 6.206 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.144 4.058 4.118 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -12.793 5.216 4.107 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -12.465 3.467 4.138 1.00 1.96 H new ATOM 385 N ASP A 26 -10.720 7.090 8.108 1.00 0.91 N ATOM 386 CA ASP A 26 -10.991 8.145 9.079 1.00 0.96 C ATOM 387 C ASP A 26 -10.361 9.478 8.687 1.00 0.92 C ATOM 388 O ASP A 26 -11.035 10.506 8.667 1.00 0.95 O ATOM 389 CB ASP A 26 -10.497 7.755 10.457 1.00 1.05 C ATOM 390 CG ASP A 26 -10.944 8.744 11.519 1.00 1.21 C ATOM 391 OD1 ASP A 26 -12.166 8.970 11.660 1.00 1.35 O ATOM 392 OD2 ASP A 26 -10.074 9.284 12.237 1.00 1.38 O ATOM 0 H ASP A 26 -9.989 6.436 8.387 1.00 0.91 H new ATOM 0 HA ASP A 26 -12.074 8.270 9.094 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.867 6.761 10.708 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -9.409 7.697 10.450 1.00 1.05 H new ATOM 397 N ALA A 27 -9.074 9.466 8.384 1.00 0.89 N ATOM 398 CA ALA A 27 -8.349 10.702 8.126 1.00 0.89 C ATOM 399 C ALA A 27 -8.712 11.302 6.773 1.00 0.85 C ATOM 400 O ALA A 27 -8.738 12.520 6.625 1.00 0.90 O ATOM 401 CB ALA A 27 -6.850 10.475 8.231 1.00 0.91 C ATOM 0 H ALA A 27 -8.510 8.619 8.310 1.00 0.89 H new ATOM 0 HA ALA A 27 -8.647 11.421 8.889 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -6.326 11.410 8.035 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -6.604 10.125 9.234 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.543 9.727 7.500 1.00 0.91 H new ATOM 407 N ILE A 28 -9.002 10.457 5.789 1.00 0.82 N ATOM 408 CA ILE A 28 -9.401 10.940 4.470 1.00 0.83 C ATOM 409 C ILE A 28 -10.791 11.568 4.541 1.00 0.88 C ATOM 410 O ILE A 28 -11.051 12.601 3.923 1.00 0.94 O ATOM 411 CB ILE A 28 -9.411 9.815 3.409 1.00 0.86 C ATOM 412 CG1 ILE A 28 -8.043 9.148 3.284 1.00 0.99 C ATOM 413 CG2 ILE A 28 -9.823 10.366 2.059 1.00 1.56 C ATOM 414 CD1 ILE A 28 -8.054 7.944 2.359 1.00 0.95 C ATOM 0 H ILE A 28 -8.969 9.441 5.878 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.663 11.682 4.167 1.00 0.83 H new ATOM 0 HB ILE A 28 -10.132 9.066 3.737 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -7.322 9.877 2.915 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -7.704 8.837 4.272 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -9.825 9.562 1.323 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -10.822 10.795 2.131 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -9.118 11.138 1.751 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -7.054 7.513 2.311 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.752 7.199 2.740 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -8.364 8.255 1.361 1.00 0.95 H new ATOM 426 N ARG A 29 -11.673 10.954 5.324 1.00 0.93 N ATOM 427 CA ARG A 29 -13.033 11.460 5.485 1.00 1.04 C ATOM 428 C ARG A 29 -13.007 12.801 6.207 1.00 1.08 C ATOM 429 O ARG A 29 -13.820 13.684 5.944 1.00 1.17 O ATOM 430 CB ARG A 29 -13.895 10.438 6.239 1.00 1.16 C ATOM 431 CG ARG A 29 -13.857 10.536 7.754 1.00 1.33 C ATOM 432 CD ARG A 29 -14.675 9.421 8.389 1.00 1.58 C ATOM 433 NE ARG A 29 -14.401 9.286 9.819 1.00 2.13 N ATOM 434 CZ ARG A 29 -15.336 9.297 10.769 1.00 2.85 C ATOM 435 NH1 ARG A 29 -16.617 9.468 10.461 1.00 3.29 N ATOM 436 NH2 ARG A 29 -14.977 9.134 12.033 1.00 3.56 N ATOM 0 H ARG A 29 -11.471 10.107 5.856 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.478 11.612 4.502 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -14.929 10.550 5.912 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -13.576 9.437 5.950 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -12.825 10.479 8.101 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -14.246 11.504 8.070 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.736 9.620 8.241 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -14.455 8.479 7.887 1.00 1.58 H new ATOM 0 HE ARG A 29 -13.429 9.176 10.109 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -16.895 9.593 9.488 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -17.322 9.474 11.198 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -13.994 9.002 12.271 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -15.683 9.141 12.769 1.00 3.56 H new ATOM 450 N HIS A 30 -12.049 12.943 7.112 1.00 1.05 N ATOM 451 CA HIS A 30 -11.814 14.204 7.801 1.00 1.13 C ATOM 452 C HIS A 30 -10.952 15.149 6.966 1.00 1.15 C ATOM 453 O HIS A 30 -10.701 16.285 7.361 1.00 1.32 O ATOM 454 CB HIS A 30 -11.148 13.963 9.142 1.00 1.23 C ATOM 455 CG HIS A 30 -12.056 13.462 10.203 1.00 1.70 C ATOM 456 ND1 HIS A 30 -12.272 12.129 10.472 1.00 2.44 N ATOM 457 CD2 HIS A 30 -12.785 14.146 11.079 1.00 2.01 C ATOM 458 CE1 HIS A 30 -13.117 12.026 11.483 1.00 2.88 C ATOM 459 NE2 HIS A 30 -13.445 13.241 11.873 1.00 2.60 N ATOM 0 H HIS A 30 -11.416 12.192 7.388 1.00 1.05 H new ATOM 0 HA HIS A 30 -12.786 14.673 7.957 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -10.338 13.246 9.007 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -10.695 14.895 9.480 1.00 1.23 H new ATOM 0 HD1 HIS A 30 -11.848 11.347 9.972 1.00 2.44 H new ATOM 0 HD2 HIS A 30 -12.847 15.222 11.153 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -13.477 11.104 11.915 1.00 2.88 H new ATOM 468 N SER A 31 -10.492 14.678 5.819 1.00 1.07 N ATOM 469 CA SER A 31 -9.626 15.475 4.967 1.00 1.19 C ATOM 470 C SER A 31 -10.428 16.142 3.857 1.00 1.32 C ATOM 471 O SER A 31 -10.194 17.305 3.523 1.00 1.76 O ATOM 472 CB SER A 31 -8.512 14.605 4.372 1.00 1.15 C ATOM 473 OG SER A 31 -7.581 15.383 3.640 1.00 1.50 O ATOM 0 H SER A 31 -10.704 13.748 5.457 1.00 1.07 H new ATOM 0 HA SER A 31 -9.170 16.255 5.577 1.00 1.19 H new ATOM 0 HB2 SER A 31 -7.996 14.075 5.173 1.00 1.15 H new ATOM 0 HB3 SER A 31 -8.949 13.849 3.720 1.00 1.15 H new ATOM 0 HG SER A 31 -6.883 14.800 3.275 1.00 1.50 H new ATOM 706 N TYR A 48 -17.773 7.359 2.875 1.00 1.05 N ATOM 707 CA TYR A 48 -17.934 8.686 2.314 1.00 1.04 C ATOM 708 C TYR A 48 -17.680 8.691 0.816 1.00 0.91 C ATOM 709 O TYR A 48 -17.404 7.649 0.214 1.00 0.86 O ATOM 710 CB TYR A 48 -16.971 9.657 3.003 1.00 1.16 C ATOM 711 CG TYR A 48 -15.540 9.193 2.976 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.123 8.110 3.731 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.606 9.858 2.199 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.802 7.699 3.704 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.290 9.464 2.165 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.916 8.298 2.937 1.00 1.96 C ATOM 717 OH TYR A 48 -11.573 7.991 2.891 1.00 2.54 O ATOM 0 HA TYR A 48 -18.964 9.002 2.483 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.039 10.631 2.519 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.282 9.793 4.039 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.835 7.581 4.347 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -14.919 10.705 1.607 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.492 6.871 4.324 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.560 10.006 1.582 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.405 7.368 2.153 1.00 2.54 H new ATOM 727 N GLN A 49 -17.757 9.874 0.233 1.00 1.01 N ATOM 728 CA GLN A 49 -17.531 10.055 -1.195 1.00 1.00 C ATOM 729 C GLN A 49 -16.745 11.326 -1.443 1.00 1.11 C ATOM 730 O GLN A 49 -17.050 12.369 -0.874 1.00 1.34 O ATOM 731 CB GLN A 49 -18.854 10.125 -1.962 1.00 1.16 C ATOM 732 CG GLN A 49 -19.493 8.772 -2.221 1.00 1.18 C ATOM 733 CD GLN A 49 -20.783 8.884 -3.008 1.00 1.42 C ATOM 734 OE1 GLN A 49 -21.519 9.863 -2.885 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.056 7.895 -3.843 1.00 1.96 N ATOM 0 H GLN A 49 -17.977 10.736 0.732 1.00 1.01 H new ATOM 0 HA GLN A 49 -16.965 9.195 -1.552 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -19.554 10.744 -1.401 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.682 10.622 -2.917 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -18.792 8.140 -2.766 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -19.693 8.279 -1.269 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -20.421 7.100 -3.917 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -21.901 7.927 -4.413 1.00 1.96 H new ATOM 744 N VAL A 50 -15.728 11.240 -2.280 1.00 1.04 N ATOM 745 CA VAL A 50 -14.965 12.417 -2.640 1.00 1.18 C ATOM 746 C VAL A 50 -15.643 13.138 -3.781 1.00 1.28 C ATOM 747 O VAL A 50 -16.263 12.529 -4.654 1.00 1.38 O ATOM 748 CB VAL A 50 -13.508 12.090 -3.021 1.00 1.24 C ATOM 749 CG1 VAL A 50 -12.731 13.341 -3.414 1.00 1.93 C ATOM 750 CG2 VAL A 50 -12.821 11.394 -1.868 1.00 1.59 C ATOM 0 H VAL A 50 -15.414 10.375 -2.719 1.00 1.04 H new ATOM 0 HA VAL A 50 -14.930 13.057 -1.759 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.530 11.430 -3.888 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -11.709 13.067 -3.675 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -13.211 13.813 -4.271 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -12.717 14.039 -2.577 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -11.791 11.165 -2.143 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -12.827 12.045 -0.994 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.349 10.469 -1.635 1.00 1.59 H new ATOM 860 N ILE A 57 -14.548 9.535 -6.147 1.00 1.14 N ATOM 861 CA ILE A 57 -14.100 8.382 -5.381 1.00 0.88 C ATOM 862 C ILE A 57 -15.082 8.027 -4.274 1.00 0.85 C ATOM 863 O ILE A 57 -15.260 8.787 -3.321 1.00 0.97 O ATOM 864 CB ILE A 57 -12.718 8.624 -4.748 1.00 0.80 C ATOM 865 CG1 ILE A 57 -11.832 9.453 -5.683 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.056 7.289 -4.439 1.00 0.87 C ATOM 867 CD1 ILE A 57 -10.552 9.937 -5.032 1.00 0.86 C ATOM 0 HA ILE A 57 -14.036 7.555 -6.088 1.00 0.88 H new ATOM 0 HB ILE A 57 -12.849 9.183 -3.821 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -11.581 8.854 -6.558 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -12.398 10.314 -6.038 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.078 7.463 -3.991 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -12.679 6.726 -3.743 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -11.937 6.720 -5.361 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -9.974 10.517 -5.752 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -10.795 10.563 -4.173 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -9.965 9.080 -4.702 1.00 0.86 H new ATOM 879 N THR A 58 -15.715 6.879 -4.405 1.00 0.80 N ATOM 880 CA THR A 58 -16.595 6.375 -3.370 1.00 0.80 C ATOM 881 C THR A 58 -15.860 5.338 -2.527 1.00 0.73 C ATOM 882 O THR A 58 -15.524 4.260 -3.015 1.00 0.85 O ATOM 883 CB THR A 58 -17.860 5.748 -3.984 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.517 6.711 -4.819 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.818 5.273 -2.902 1.00 1.28 C ATOM 0 H THR A 58 -15.636 6.274 -5.223 1.00 0.80 H new ATOM 0 HA THR A 58 -16.897 7.210 -2.737 1.00 0.80 H new ATOM 0 HB THR A 58 -17.560 4.885 -4.578 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.225 6.269 -5.333 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.702 4.835 -3.365 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.325 4.524 -2.282 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.115 6.119 -2.282 1.00 1.28 H new ATOM 893 N PHE A 59 -15.597 5.666 -1.267 1.00 0.65 N ATOM 894 CA PHE A 59 -14.847 4.771 -0.397 1.00 0.64 C ATOM 895 C PHE A 59 -15.792 3.823 0.321 1.00 0.73 C ATOM 896 O PHE A 59 -16.319 4.153 1.381 1.00 0.83 O ATOM 897 CB PHE A 59 -14.016 5.561 0.624 1.00 0.64 C ATOM 898 CG PHE A 59 -12.833 6.281 0.032 1.00 0.60 C ATOM 899 CD1 PHE A 59 -13.010 7.424 -0.736 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.545 5.815 0.238 1.00 0.75 C ATOM 901 CE1 PHE A 59 -11.926 8.084 -1.284 1.00 0.84 C ATOM 902 CE2 PHE A 59 -10.460 6.472 -0.307 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.643 7.609 -1.052 1.00 0.70 C ATOM 0 H PHE A 59 -15.890 6.539 -0.828 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.163 4.191 -1.017 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.661 6.289 1.116 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.662 4.877 1.395 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -14.007 7.802 -0.907 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.388 4.927 0.832 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -12.077 8.965 -1.890 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -9.463 6.089 -0.146 1.00 0.79 H new ATOM 0 HZ PHE A 59 -9.790 8.133 -1.457 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.156 0.520 -8.607 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.881 0.891 -8.009 1.00 0.55 C ATOM 1223 C ILE A 81 -9.562 0.105 -6.737 1.00 0.47 C ATOM 1224 O ILE A 81 -10.327 0.126 -5.768 1.00 0.63 O ATOM 1225 CB ILE A 81 -9.885 2.401 -7.689 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.077 3.212 -8.970 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.610 2.815 -6.985 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -8.983 2.987 -9.983 1.00 0.73 C ATOM 0 HA ILE A 81 -9.106 0.649 -8.736 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.718 2.603 -7.016 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.037 2.952 -9.417 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.119 4.272 -8.719 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -8.642 3.884 -6.773 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.514 2.262 -6.051 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -7.754 2.598 -7.624 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.178 3.591 -10.869 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.024 3.274 -9.552 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.956 1.933 -10.261 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.425 -0.592 -6.750 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.940 -1.282 -5.577 1.00 0.30 C ATOM 1242 C VAL A 82 -6.753 -0.549 -4.973 1.00 0.25 C ATOM 1243 O VAL A 82 -5.661 -0.569 -5.533 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.490 -2.703 -5.931 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.840 -3.364 -4.735 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.664 -3.524 -6.436 1.00 1.19 C ATOM 0 H VAL A 82 -7.827 -0.688 -7.571 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.760 -1.318 -4.860 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.751 -2.645 -6.730 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.526 -4.373 -5.003 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -5.971 -2.783 -4.426 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.554 -3.413 -3.913 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.325 -4.530 -6.682 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.430 -3.578 -5.662 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -9.081 -3.053 -7.326 1.00 1.19 H new ATOM 1256 N ILE A 83 -6.952 0.098 -3.837 1.00 0.25 N ATOM 1257 CA ILE A 83 -5.835 0.728 -3.148 1.00 0.25 C ATOM 1258 C ILE A 83 -5.287 -0.219 -2.118 1.00 0.27 C ATOM 1259 O ILE A 83 -5.925 -0.482 -1.105 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.210 2.031 -2.411 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.609 2.494 -2.802 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.178 3.117 -2.681 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -7.994 3.836 -2.209 1.00 1.32 C ATOM 0 H ILE A 83 -7.857 0.201 -3.378 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.109 0.974 -3.923 1.00 0.25 H new ATOM 0 HB ILE A 83 -6.214 1.828 -1.340 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -7.672 2.555 -3.888 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.333 1.744 -2.483 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -5.461 4.027 -2.152 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -4.200 2.784 -2.333 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.133 3.318 -3.751 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.001 4.100 -2.530 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -7.965 3.775 -1.121 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -7.293 4.598 -2.549 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.111 -0.715 -2.370 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.495 -1.672 -1.472 1.00 0.27 C ATOM 1277 C LEU A 84 -2.654 -0.960 -0.418 1.00 0.27 C ATOM 1278 O LEU A 84 -1.591 -0.426 -0.724 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.619 -2.629 -2.255 1.00 0.35 C ATOM 1280 CG LEU A 84 -1.905 -3.666 -1.421 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -2.820 -4.845 -1.168 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -0.630 -4.074 -2.120 1.00 1.33 C ATOM 0 H LEU A 84 -3.551 -0.478 -3.189 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.287 -2.229 -0.972 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.235 -3.140 -2.994 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -1.876 -2.051 -2.804 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.638 -3.251 -0.449 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.298 -5.588 -0.566 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -3.710 -4.508 -0.636 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.113 -5.289 -2.119 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.111 -4.823 -1.522 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -0.869 -4.493 -3.098 1.00 1.33 H new ATOM 0 HD23 LEU A 84 0.011 -3.202 -2.246 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.126 -0.951 0.817 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.416 -0.277 1.893 1.00 0.28 C ATOM 1296 C VAL A 85 -1.298 -1.149 2.457 1.00 0.27 C ATOM 1297 O VAL A 85 -1.482 -2.339 2.710 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.371 0.124 3.036 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -2.632 0.903 4.117 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -4.529 0.938 2.490 1.00 1.20 C ATOM 0 H VAL A 85 -3.996 -1.402 1.100 1.00 0.28 H new ATOM 0 HA VAL A 85 -1.980 0.624 1.462 1.00 0.28 H new ATOM 0 HB VAL A 85 -3.765 -0.786 3.488 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.328 1.174 4.911 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -1.834 0.286 4.529 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.204 1.808 3.685 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -5.196 1.215 3.306 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -4.146 1.840 2.012 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -5.078 0.345 1.759 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.138 -0.538 2.627 1.00 0.25 N ATOM 1311 CA VAL A 86 0.992 -1.157 3.298 1.00 0.27 C ATOM 1312 C VAL A 86 1.566 -0.146 4.273 1.00 0.24 C ATOM 1313 O VAL A 86 1.032 0.953 4.400 1.00 0.26 O ATOM 1314 CB VAL A 86 2.092 -1.621 2.315 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.610 -2.800 1.489 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.532 -0.482 1.411 1.00 0.95 C ATOM 0 H VAL A 86 0.047 0.410 2.300 1.00 0.25 H new ATOM 0 HA VAL A 86 0.640 -2.052 3.812 1.00 0.27 H new ATOM 0 HB VAL A 86 2.954 -1.939 2.902 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.399 -3.111 0.804 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.357 -3.628 2.151 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.728 -2.508 0.919 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.306 -0.836 0.730 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.678 -0.124 0.835 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.928 0.332 2.018 1.00 0.95 H new ATOM 1326 N ALA A 87 2.636 -0.484 4.967 1.00 0.28 N ATOM 1327 CA ALA A 87 3.194 0.447 5.932 1.00 0.32 C ATOM 1328 C ALA A 87 4.708 0.393 5.971 1.00 0.46 C ATOM 1329 O ALA A 87 5.301 -0.654 6.237 1.00 0.75 O ATOM 1330 CB ALA A 87 2.606 0.196 7.305 1.00 0.42 C ATOM 0 H ALA A 87 3.127 -1.374 4.886 1.00 0.28 H new ATOM 0 HA ALA A 87 2.923 1.453 5.612 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.033 0.901 8.018 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.525 0.328 7.267 1.00 0.42 H new ATOM 0 HB3 ALA A 87 2.836 -0.822 7.619 1.00 0.42 H new ATOM 1336 N ALA A 88 5.311 1.546 5.695 1.00 0.37 N ATOM 1337 CA ALA A 88 6.757 1.738 5.731 1.00 0.59 C ATOM 1338 C ALA A 88 7.523 0.604 5.059 1.00 0.53 C ATOM 1339 O ALA A 88 7.480 0.449 3.840 1.00 1.14 O ATOM 1340 CB ALA A 88 7.236 1.950 7.162 1.00 1.18 C ATOM 0 H ALA A 88 4.798 2.389 5.435 1.00 0.37 H new ATOM 0 HA ALA A 88 6.970 2.637 5.153 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.317 2.091 7.167 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.753 2.833 7.580 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.981 1.078 7.764 1.00 1.18 H new ATOM 1346 N ASP A 89 8.212 -0.200 5.860 1.00 0.56 N ATOM 1347 CA ASP A 89 9.084 -1.238 5.332 1.00 0.93 C ATOM 1348 C ASP A 89 8.583 -2.612 5.742 1.00 0.85 C ATOM 1349 O ASP A 89 9.325 -3.595 5.709 1.00 1.24 O ATOM 1350 CB ASP A 89 10.530 -1.033 5.800 1.00 1.44 C ATOM 1351 CG ASP A 89 10.667 -1.004 7.307 1.00 1.68 C ATOM 1352 OD1 ASP A 89 10.229 -0.015 7.931 1.00 1.90 O ATOM 1353 OD2 ASP A 89 11.207 -1.975 7.876 1.00 2.01 O ATOM 0 H ASP A 89 8.183 -0.152 6.878 1.00 0.56 H new ATOM 0 HA ASP A 89 9.068 -1.171 4.244 1.00 0.93 H new ATOM 0 HB2 ASP A 89 11.152 -1.833 5.400 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.910 -0.098 5.388 1.00 1.44 H new ATOM 1358 N ASP A 90 7.312 -2.672 6.126 1.00 0.48 N ATOM 1359 CA ASP A 90 6.676 -3.938 6.471 1.00 0.46 C ATOM 1360 C ASP A 90 6.519 -4.770 5.214 1.00 0.45 C ATOM 1361 O ASP A 90 6.614 -6.000 5.232 1.00 0.69 O ATOM 1362 CB ASP A 90 5.295 -3.703 7.089 1.00 0.52 C ATOM 1363 CG ASP A 90 4.868 -4.814 8.020 1.00 0.74 C ATOM 1364 OD1 ASP A 90 5.443 -4.930 9.126 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.934 -5.556 7.668 1.00 1.09 O ATOM 0 H ASP A 90 6.702 -1.858 6.206 1.00 0.48 H new ATOM 0 HA ASP A 90 7.301 -4.457 7.198 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.304 -2.761 7.637 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.559 -3.601 6.292 1.00 0.52 H new ATOM 1370 N GLY A 91 6.295 -4.061 4.116 1.00 0.36 N ATOM 1371 CA GLY A 91 6.099 -4.695 2.836 1.00 0.36 C ATOM 1372 C GLY A 91 4.731 -5.311 2.718 1.00 0.35 C ATOM 1373 O GLY A 91 3.744 -4.754 3.203 1.00 0.52 O ATOM 0 H GLY A 91 6.246 -3.042 4.095 1.00 0.36 H new ATOM 0 HA2 GLY A 91 6.236 -3.960 2.042 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.857 -5.465 2.692 1.00 0.36 H new ATOM 1377 N VAL A 92 4.677 -6.456 2.078 1.00 0.38 N ATOM 1378 CA VAL A 92 3.439 -7.135 1.812 1.00 0.37 C ATOM 1379 C VAL A 92 3.173 -8.234 2.842 1.00 0.36 C ATOM 1380 O VAL A 92 3.879 -9.245 2.884 1.00 0.47 O ATOM 1381 CB VAL A 92 3.495 -7.733 0.401 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.306 -8.621 0.146 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.572 -6.629 -0.640 1.00 1.06 C ATOM 0 H VAL A 92 5.501 -6.943 1.726 1.00 0.38 H new ATOM 0 HA VAL A 92 2.622 -6.417 1.881 1.00 0.37 H new ATOM 0 HB VAL A 92 4.394 -8.344 0.325 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.369 -9.033 -0.861 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.298 -9.435 0.871 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.390 -8.039 0.243 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.611 -7.070 -1.636 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.692 -5.991 -0.560 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.469 -6.032 -0.472 1.00 1.06 H new ATOM 1393 N MET A 93 2.177 -8.012 3.690 1.00 0.29 N ATOM 1394 CA MET A 93 1.711 -9.038 4.616 1.00 0.31 C ATOM 1395 C MET A 93 0.778 -10.010 3.887 1.00 0.31 C ATOM 1396 O MET A 93 0.426 -9.768 2.735 1.00 0.31 O ATOM 1397 CB MET A 93 0.986 -8.383 5.796 1.00 0.36 C ATOM 1398 CG MET A 93 1.916 -7.692 6.776 1.00 0.67 C ATOM 1399 SD MET A 93 2.845 -8.852 7.801 1.00 1.32 S ATOM 1400 CE MET A 93 1.538 -9.535 8.818 1.00 0.65 C ATOM 0 H MET A 93 1.674 -7.127 3.756 1.00 0.29 H new ATOM 0 HA MET A 93 2.567 -9.595 4.998 1.00 0.31 H new ATOM 0 HB2 MET A 93 0.271 -7.655 5.413 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.413 -9.144 6.327 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.614 -7.063 6.224 1.00 0.67 H new ATOM 0 HG3 MET A 93 1.333 -7.033 7.419 1.00 0.67 H new ATOM 0 HE1 MET A 93 1.741 -9.316 9.866 1.00 0.65 H new ATOM 0 HE2 MET A 93 0.585 -9.091 8.532 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.492 -10.615 8.675 1.00 0.65 H new ATOM 1410 N PRO A 94 0.379 -11.127 4.529 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.536 -12.110 3.936 1.00 0.42 C ATOM 1412 C PRO A 94 -1.749 -11.473 3.257 1.00 0.39 C ATOM 1413 O PRO A 94 -2.014 -11.722 2.079 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.981 -12.970 5.132 1.00 0.52 C ATOM 1415 CG PRO A 94 -0.374 -12.340 6.346 1.00 0.61 C ATOM 1416 CD PRO A 94 0.808 -11.552 5.865 1.00 0.46 C ATOM 0 HA PRO A 94 -0.043 -12.676 3.145 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -2.068 -12.997 5.209 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.644 -14.000 5.018 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -1.093 -11.694 6.850 1.00 0.61 H new ATOM 0 HG3 PRO A 94 -0.068 -13.099 7.066 1.00 0.61 H new ATOM 0 HD2 PRO A 94 1.021 -10.702 6.513 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.713 -12.159 5.828 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.474 -10.647 3.999 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.651 -9.978 3.471 1.00 0.43 C ATOM 1426 C GLN A 95 -3.303 -9.082 2.288 1.00 0.36 C ATOM 1427 O GLN A 95 -4.116 -8.898 1.385 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.335 -9.156 4.559 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.591 -9.938 5.832 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.667 -9.308 6.693 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -5.853 -8.091 6.686 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.390 -10.131 7.432 1.00 1.47 N ATOM 0 H GLN A 95 -2.265 -10.425 4.972 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.336 -10.751 3.122 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.717 -8.289 4.792 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.283 -8.778 4.177 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -4.884 -10.956 5.576 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.666 -10.007 6.405 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -6.204 -11.134 7.409 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.134 -9.764 8.025 1.00 1.47 H new ATOM 1441 N THR A 96 -2.089 -8.540 2.283 1.00 0.33 N ATOM 1442 CA THR A 96 -1.646 -7.685 1.199 1.00 0.31 C ATOM 1443 C THR A 96 -1.561 -8.469 -0.128 1.00 0.29 C ATOM 1444 O THR A 96 -1.648 -7.890 -1.209 1.00 0.34 O ATOM 1445 CB THR A 96 -0.288 -7.053 1.555 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.337 -6.538 2.895 1.00 0.37 O ATOM 1447 CG2 THR A 96 0.069 -5.926 0.609 1.00 0.46 C ATOM 0 H THR A 96 -1.398 -8.681 3.020 1.00 0.33 H new ATOM 0 HA THR A 96 -2.378 -6.889 1.061 1.00 0.31 H new ATOM 0 HB THR A 96 0.474 -7.828 1.469 1.00 0.34 H new ATOM 0 HG1 THR A 96 0.264 -5.768 2.972 1.00 0.37 H new ATOM 0 HG21 THR A 96 1.034 -5.505 0.892 1.00 0.46 H new ATOM 0 HG22 THR A 96 0.126 -6.310 -0.410 1.00 0.46 H new ATOM 0 HG23 THR A 96 -0.695 -5.150 0.662 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.422 -9.795 -0.038 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.393 -10.651 -1.211 1.00 0.39 C ATOM 1457 C VAL A 97 -2.793 -11.110 -1.589 1.00 0.34 C ATOM 1458 O VAL A 97 -3.187 -11.046 -2.757 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.513 -11.888 -0.968 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.653 -12.882 -2.099 1.00 1.00 C ATOM 1461 CG2 VAL A 97 0.925 -11.473 -0.816 1.00 1.05 C ATOM 0 H VAL A 97 -1.328 -10.295 0.846 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.974 -10.063 -2.027 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.845 -12.371 -0.049 1.00 0.60 H new ATOM 0 HG11 VAL A 97 -0.020 -13.748 -1.903 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.692 -13.202 -2.176 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.347 -12.414 -3.035 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.542 -12.355 -0.644 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.256 -10.970 -1.724 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.020 -10.793 0.031 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.548 -11.557 -0.591 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.896 -12.084 -0.808 1.00 0.40 C ATOM 1473 C GLU A 98 -5.829 -11.011 -1.340 1.00 0.34 C ATOM 1474 O GLU A 98 -6.932 -11.303 -1.788 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.484 -12.637 0.490 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.676 -13.752 1.120 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.443 -14.446 2.227 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.472 -13.915 3.356 1.00 1.62 O ATOM 1479 OE2 GLU A 98 -6.004 -15.534 1.978 1.00 1.55 O ATOM 0 H GLU A 98 -3.249 -11.566 0.384 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.807 -12.884 -1.543 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.577 -11.822 1.208 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.491 -13.003 0.291 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -4.403 -14.480 0.356 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.747 -13.346 1.520 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.390 -9.771 -1.275 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.198 -8.659 -1.730 1.00 0.27 C ATOM 1488 C ALA A 99 -5.814 -8.282 -3.148 1.00 0.25 C ATOM 1489 O ALA A 99 -6.567 -7.630 -3.858 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.038 -7.472 -0.795 1.00 0.31 C ATOM 0 H ALA A 99 -4.475 -9.508 -0.910 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.246 -8.958 -1.724 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.651 -6.644 -1.150 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.355 -7.754 0.209 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -4.992 -7.165 -0.772 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.632 -8.716 -3.549 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.113 -8.433 -4.876 1.00 0.24 C ATOM 1498 C ILE A 100 -4.458 -9.562 -5.835 1.00 0.28 C ATOM 1499 O ILE A 100 -5.022 -9.330 -6.904 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.593 -8.216 -4.794 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.308 -6.742 -4.507 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.867 -8.696 -6.043 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.842 -6.389 -4.473 1.00 0.38 C ATOM 0 H ILE A 100 -4.007 -9.273 -2.966 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.575 -7.524 -5.260 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.205 -8.822 -3.975 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.799 -6.134 -5.267 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.756 -6.477 -3.549 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.797 -8.519 -5.932 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -2.046 -9.762 -6.181 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.237 -8.151 -6.911 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.729 -5.325 -4.264 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.347 -6.967 -3.693 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.390 -6.619 -5.438 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.107 -10.777 -5.442 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.519 -11.985 -6.142 1.00 0.38 C ATOM 1517 C ASN A 101 -6.027 -11.980 -6.376 1.00 0.37 C ATOM 1518 O ASN A 101 -6.515 -12.405 -7.423 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.139 -13.199 -5.300 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.807 -14.401 -6.144 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.670 -15.222 -6.456 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.546 -14.511 -6.518 1.00 1.55 N ATOM 0 H ASN A 101 -3.525 -10.954 -4.623 1.00 0.31 H new ATOM 0 HA ASN A 101 -4.018 -12.026 -7.109 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.282 -12.950 -4.674 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.963 -13.445 -4.630 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -2.251 -15.302 -7.090 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -1.867 -13.805 -6.235 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.751 -11.476 -5.386 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.204 -11.389 -5.450 1.00 0.38 C ATOM 1531 C HIS A 102 -8.637 -10.241 -6.358 1.00 0.38 C ATOM 1532 O HIS A 102 -9.673 -10.320 -7.013 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.769 -11.173 -4.043 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.265 -11.236 -3.946 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.957 -12.372 -3.582 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.201 -10.279 -4.140 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.249 -12.107 -3.554 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.427 -10.842 -3.887 1.00 0.77 N ATOM 0 H HIS A 102 -6.350 -11.117 -4.519 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.590 -12.322 -5.862 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.344 -11.925 -3.378 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.437 -10.201 -3.679 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.017 -9.258 -4.439 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -13.031 -12.808 -3.301 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.326 -10.363 -3.946 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.838 -9.180 -6.397 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.219 -7.972 -7.120 1.00 0.38 C ATOM 1549 C ALA A 103 -7.882 -8.061 -8.598 1.00 0.40 C ATOM 1550 O ALA A 103 -8.751 -7.914 -9.456 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.535 -6.758 -6.521 1.00 0.43 C ATOM 0 H ALA A 103 -6.928 -9.132 -5.939 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.300 -7.872 -7.024 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.830 -5.865 -7.072 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.829 -6.653 -5.477 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.454 -6.882 -6.583 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.618 -8.322 -8.894 1.00 0.40 N ATOM 1558 CA LYS A 104 -6.111 -8.192 -10.234 1.00 0.51 C ATOM 1559 C LYS A 104 -6.639 -9.290 -11.157 1.00 0.50 C ATOM 1560 O LYS A 104 -6.526 -9.192 -12.381 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.599 -8.208 -10.137 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.931 -9.409 -10.752 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.481 -9.386 -10.384 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.784 -8.192 -11.031 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.305 -8.285 -10.963 1.00 2.56 N ATOM 0 H LYS A 104 -5.925 -8.628 -8.210 1.00 0.40 H new ATOM 0 HA LYS A 104 -6.453 -7.258 -10.680 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -4.210 -7.310 -10.617 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -4.318 -8.154 -9.085 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.398 -10.327 -10.394 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -4.047 -9.394 -11.836 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.376 -9.333 -9.300 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.003 -10.312 -10.706 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -2.092 -8.119 -12.074 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -2.109 -7.276 -10.538 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 0.115 -7.405 -11.324 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -0.011 -8.429 -9.976 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 0.019 -9.086 -11.541 1.00 2.56 H new ATOM 1579 N ALA A 105 -7.251 -10.308 -10.567 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.763 -11.443 -11.329 1.00 0.61 C ATOM 1581 C ALA A 105 -9.051 -11.094 -12.074 1.00 0.66 C ATOM 1582 O ALA A 105 -9.628 -11.933 -12.768 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.985 -12.640 -10.415 1.00 0.72 C ATOM 0 H ALA A 105 -7.406 -10.373 -9.561 1.00 0.51 H new ATOM 0 HA ALA A 105 -7.012 -11.701 -12.076 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -8.367 -13.478 -10.999 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -7.041 -12.923 -9.950 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -8.707 -12.378 -9.641 1.00 0.72 H new ATOM 1589 N ALA A 106 -9.504 -9.862 -11.922 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.643 -9.371 -12.676 1.00 0.70 C ATOM 1591 C ALA A 106 -10.160 -8.413 -13.754 1.00 0.72 C ATOM 1592 O ALA A 106 -10.959 -7.827 -14.483 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.645 -8.692 -11.755 1.00 0.75 C ATOM 0 H ALA A 106 -9.098 -9.181 -11.280 1.00 0.62 H new ATOM 0 HA ALA A 106 -11.148 -10.212 -13.150 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -12.491 -8.331 -12.340 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.997 -9.406 -11.011 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -11.166 -7.851 -11.253 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.829 -8.261 -13.809 1.00 0.67 N ATOM 1600 CA ASN A 107 -8.141 -7.403 -14.779 1.00 0.73 C ATOM 1601 C ASN A 107 -8.181 -5.986 -14.263 1.00 0.67 C ATOM 1602 O ASN A 107 -8.342 -5.018 -15.005 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.744 -7.496 -16.169 1.00 0.92 C ATOM 1604 CG ASN A 107 -7.710 -7.309 -17.261 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -7.136 -8.278 -17.755 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -7.454 -6.066 -17.636 1.00 2.06 N ATOM 0 H ASN A 107 -8.193 -8.739 -13.171 1.00 0.67 H new ATOM 0 HA ASN A 107 -7.110 -7.741 -14.880 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -9.224 -8.467 -16.290 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.522 -6.740 -16.276 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -6.759 -5.885 -18.360 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -7.952 -5.289 -17.201 1.00 2.06 H new ATOM 1613 N VAL A 108 -8.029 -5.906 -12.958 1.00 0.55 N ATOM 1614 CA VAL A 108 -8.170 -4.678 -12.226 1.00 0.49 C ATOM 1615 C VAL A 108 -6.810 -4.092 -11.870 1.00 0.40 C ATOM 1616 O VAL A 108 -5.868 -4.832 -11.570 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.951 -4.952 -10.936 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -8.771 -3.812 -9.970 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -10.423 -5.179 -11.240 1.00 1.08 C ATOM 0 H VAL A 108 -7.800 -6.709 -12.372 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.702 -3.961 -12.851 1.00 0.49 H new ATOM 0 HB VAL A 108 -8.560 -5.859 -10.475 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -9.330 -4.017 -9.057 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -7.713 -3.701 -9.731 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -9.139 -2.891 -10.422 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -10.961 -5.372 -10.312 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -10.836 -4.292 -11.721 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -10.529 -6.036 -11.906 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.684 -2.757 -11.929 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.495 -2.058 -11.469 1.00 0.35 C ATOM 1631 C PRO A 109 -5.381 -2.005 -9.954 1.00 0.30 C ATOM 1632 O PRO A 109 -6.379 -1.925 -9.221 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.649 -0.641 -12.001 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.829 -0.659 -12.900 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.674 -1.827 -12.483 1.00 0.48 C ATOM 0 HA PRO A 109 -4.600 -2.573 -11.819 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.793 0.067 -11.185 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.754 -0.329 -12.540 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -7.390 0.272 -12.820 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -6.521 -0.757 -13.941 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -8.422 -1.543 -11.743 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -8.210 -2.261 -13.327 1.00 0.48 H new ATOM 1643 N ILE A 110 -4.147 -1.975 -9.505 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.841 -2.032 -8.084 1.00 0.25 C ATOM 1645 C ILE A 110 -2.982 -0.835 -7.687 1.00 0.23 C ATOM 1646 O ILE A 110 -2.228 -0.300 -8.504 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.117 -3.355 -7.726 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.025 -4.554 -8.018 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.689 -3.372 -6.262 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -3.321 -5.888 -7.910 1.00 0.96 C ATOM 0 H ILE A 110 -3.326 -1.911 -10.107 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.778 -1.998 -7.529 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.222 -3.424 -8.344 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -4.866 -4.539 -7.325 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.437 -4.451 -9.022 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -2.184 -4.312 -6.041 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -2.009 -2.542 -6.072 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -3.568 -3.274 -5.625 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -4.026 -6.690 -8.130 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -2.497 -5.923 -8.623 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -2.932 -6.013 -6.899 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.122 -0.392 -6.448 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.353 0.732 -5.947 1.00 0.25 C ATOM 1664 C ILE A 111 -1.633 0.316 -4.704 1.00 0.32 C ATOM 1665 O ILE A 111 -2.026 -0.633 -4.063 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.273 1.900 -5.578 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.198 2.236 -6.721 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.488 3.129 -5.155 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.511 2.719 -6.204 1.00 0.53 C ATOM 0 H ILE A 111 -3.765 -0.798 -5.768 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.657 1.043 -6.726 1.00 0.25 H new ATOM 0 HB ILE A 111 -3.871 1.580 -4.724 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -3.745 3.001 -7.351 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -4.348 1.356 -7.346 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.179 3.933 -4.902 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -1.877 2.889 -4.285 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -1.844 3.449 -5.974 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.167 2.957 -7.042 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.970 1.941 -5.594 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -5.357 3.612 -5.598 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.577 1.006 -4.380 1.00 0.21 N ATOM 1682 CA VAL A 112 0.076 0.823 -3.131 1.00 0.20 C ATOM 1683 C VAL A 112 -0.035 2.079 -2.314 1.00 0.20 C ATOM 1684 O VAL A 112 0.187 3.181 -2.813 1.00 0.23 O ATOM 1685 CB VAL A 112 1.545 0.525 -3.325 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.990 -0.498 -2.342 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.806 0.036 -4.726 1.00 0.22 C ATOM 0 H VAL A 112 -0.150 1.711 -4.981 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.403 -0.015 -2.625 1.00 0.20 H new ATOM 0 HB VAL A 112 2.108 1.445 -3.167 1.00 0.20 H new ATOM 0 HG11 VAL A 112 3.050 -0.707 -2.489 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.830 -0.124 -1.331 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.416 -1.414 -2.485 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.869 -0.173 -4.846 1.00 0.22 H new ATOM 0 HG22 VAL A 112 1.234 -0.874 -4.906 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.504 0.801 -5.441 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.366 1.914 -1.069 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.403 3.008 -0.151 1.00 0.21 C ATOM 1699 C ALA A 113 0.540 2.692 0.977 1.00 0.21 C ATOM 1700 O ALA A 113 0.157 2.106 1.984 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.814 3.244 0.357 1.00 0.25 C ATOM 0 H ALA A 113 -0.618 1.014 -0.662 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.093 3.928 -0.647 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.814 4.082 1.054 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.470 3.471 -0.483 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.172 2.349 0.866 1.00 0.25 H new ATOM 1707 N ILE A 114 1.782 3.064 0.773 1.00 0.21 N ATOM 1708 CA ILE A 114 2.812 2.884 1.766 1.00 0.24 C ATOM 1709 C ILE A 114 2.624 3.894 2.892 1.00 0.25 C ATOM 1710 O ILE A 114 3.095 5.025 2.801 1.00 0.30 O ATOM 1711 CB ILE A 114 4.200 3.064 1.126 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.237 2.426 -0.267 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.250 2.436 2.013 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.548 2.632 -0.997 1.00 0.85 C ATOM 0 H ILE A 114 2.106 3.501 -0.090 1.00 0.21 H new ATOM 0 HA ILE A 114 2.740 1.876 2.174 1.00 0.24 H new ATOM 0 HB ILE A 114 4.405 4.129 1.021 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.048 1.357 -0.172 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.428 2.840 -0.868 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.233 2.564 1.560 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.236 2.918 2.991 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.039 1.373 2.130 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.499 2.153 -1.975 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.730 3.699 -1.125 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.360 2.192 -0.418 1.00 0.85 H new ATOM 1726 N ASN A 115 1.910 3.489 3.937 1.00 0.26 N ATOM 1727 CA ASN A 115 1.537 4.392 5.019 1.00 0.31 C ATOM 1728 C ASN A 115 2.603 4.372 6.109 1.00 0.37 C ATOM 1729 O ASN A 115 3.467 3.497 6.109 1.00 0.39 O ATOM 1730 CB ASN A 115 0.174 3.965 5.585 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.361 4.880 6.675 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.138 6.096 6.666 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -1.065 4.293 7.631 1.00 0.69 N ATOM 0 H ASN A 115 1.576 2.533 4.057 1.00 0.26 H new ATOM 0 HA ASN A 115 1.461 5.410 4.638 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.549 3.927 4.771 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.259 2.954 5.984 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.446 4.848 8.397 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.226 3.286 7.601 1.00 0.69 H new ATOM 1740 N LYS A 116 2.545 5.340 7.020 1.00 0.49 N ATOM 1741 CA LYS A 116 3.465 5.401 8.152 1.00 0.62 C ATOM 1742 C LYS A 116 4.902 5.583 7.667 1.00 0.57 C ATOM 1743 O LYS A 116 5.829 4.887 8.082 1.00 0.67 O ATOM 1744 CB LYS A 116 3.304 4.137 9.020 1.00 0.78 C ATOM 1745 CG LYS A 116 4.184 4.084 10.261 1.00 1.15 C ATOM 1746 CD LYS A 116 3.877 5.209 11.230 1.00 1.50 C ATOM 1747 CE LYS A 116 4.797 5.147 12.439 1.00 2.05 C ATOM 1748 NZ LYS A 116 4.560 6.273 13.372 1.00 2.61 N ATOM 0 H LYS A 116 1.864 6.099 6.995 1.00 0.49 H new ATOM 0 HA LYS A 116 3.225 6.266 8.770 1.00 0.62 H new ATOM 0 HB2 LYS A 116 2.262 4.059 9.330 1.00 0.78 H new ATOM 0 HB3 LYS A 116 3.519 3.264 8.404 1.00 0.78 H new ATOM 0 HG2 LYS A 116 4.044 3.126 10.763 1.00 1.15 H new ATOM 0 HG3 LYS A 116 5.231 4.138 9.964 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.993 6.169 10.728 1.00 1.50 H new ATOM 0 HD3 LYS A 116 2.838 5.143 11.554 1.00 1.50 H new ATOM 0 HE2 LYS A 116 4.645 4.203 12.963 1.00 2.05 H new ATOM 0 HE3 LYS A 116 5.835 5.163 12.107 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 5.207 6.194 14.183 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 4.730 7.173 12.880 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 3.577 6.243 13.710 1.00 2.61 H new ATOM 1762 N MET A 117 5.073 6.530 6.764 1.00 0.58 N ATOM 1763 CA MET A 117 6.397 6.918 6.322 1.00 0.69 C ATOM 1764 C MET A 117 6.946 7.947 7.292 1.00 0.81 C ATOM 1765 O MET A 117 8.074 7.829 7.765 1.00 1.03 O ATOM 1766 CB MET A 117 6.337 7.491 4.902 1.00 0.85 C ATOM 1767 CG MET A 117 5.566 6.604 3.942 1.00 0.81 C ATOM 1768 SD MET A 117 6.446 5.080 3.531 1.00 1.37 S ATOM 1769 CE MET A 117 7.665 5.673 2.359 1.00 0.65 C ATOM 0 H MET A 117 4.311 7.044 6.323 1.00 0.58 H new ATOM 0 HA MET A 117 7.053 6.048 6.302 1.00 0.69 H new ATOM 0 HB2 MET A 117 5.872 8.476 4.932 1.00 0.85 H new ATOM 0 HB3 MET A 117 7.351 7.629 4.527 1.00 0.85 H new ATOM 0 HG2 MET A 117 4.601 6.353 4.383 1.00 0.81 H new ATOM 0 HG3 MET A 117 5.363 7.159 3.026 1.00 0.81 H new ATOM 0 HE1 MET A 117 7.401 5.335 1.357 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.690 6.763 2.380 1.00 0.65 H new ATOM 0 HE3 MET A 117 8.647 5.282 2.626 1.00 0.65 H new ATOM 1852 N ASN A 123 12.157 2.266 2.936 1.00 0.59 N ATOM 1853 CA ASN A 123 12.926 2.242 1.706 1.00 0.57 C ATOM 1854 C ASN A 123 12.112 1.553 0.621 1.00 0.46 C ATOM 1855 O ASN A 123 12.205 0.338 0.428 1.00 0.52 O ATOM 1856 CB ASN A 123 14.278 1.548 1.921 1.00 0.85 C ATOM 1857 CG ASN A 123 15.105 1.444 0.651 1.00 1.28 C ATOM 1858 OD1 ASN A 123 15.793 2.389 0.263 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.064 0.285 0.013 1.00 1.84 N ATOM 0 HA ASN A 123 13.138 3.264 1.390 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.845 2.097 2.673 1.00 0.85 H new ATOM 0 HB3 ASN A 123 14.107 0.548 2.318 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.616 0.149 -0.834 1.00 1.84 H new ATOM 0 HD22 ASN A 123 14.481 -0.472 0.368 1.00 1.84 H new ATOM 1866 N PRO A 124 11.246 2.348 -0.038 1.00 0.41 N ATOM 1867 CA PRO A 124 10.411 1.966 -1.170 1.00 0.47 C ATOM 1868 C PRO A 124 10.837 0.711 -1.940 1.00 0.42 C ATOM 1869 O PRO A 124 10.128 -0.285 -1.903 1.00 0.40 O ATOM 1870 CB PRO A 124 10.556 3.216 -2.026 1.00 0.66 C ATOM 1871 CG PRO A 124 10.546 4.344 -1.041 1.00 0.70 C ATOM 1872 CD PRO A 124 10.964 3.757 0.291 1.00 0.46 C ATOM 0 HA PRO A 124 9.404 1.684 -0.863 1.00 0.47 H new ATOM 0 HB2 PRO A 124 11.482 3.199 -2.601 1.00 0.66 H new ATOM 0 HB3 PRO A 124 9.738 3.305 -2.741 1.00 0.66 H new ATOM 0 HG2 PRO A 124 11.231 5.134 -1.349 1.00 0.70 H new ATOM 0 HG3 PRO A 124 9.554 4.791 -0.974 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.842 4.260 0.695 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.174 3.846 1.037 1.00 0.46 H new ATOM 1880 N ASP A 125 11.990 0.769 -2.612 1.00 0.45 N ATOM 1881 CA ASP A 125 12.451 -0.294 -3.535 1.00 0.45 C ATOM 1882 C ASP A 125 12.160 -1.694 -3.024 1.00 0.38 C ATOM 1883 O ASP A 125 11.574 -2.500 -3.738 1.00 0.33 O ATOM 1884 CB ASP A 125 13.954 -0.171 -3.761 1.00 0.56 C ATOM 1885 CG ASP A 125 14.366 1.185 -4.285 1.00 1.16 C ATOM 1886 OD1 ASP A 125 14.558 2.112 -3.470 1.00 2.00 O ATOM 1887 OD2 ASP A 125 14.478 1.337 -5.521 1.00 1.28 O ATOM 0 H ASP A 125 12.638 1.553 -2.537 1.00 0.45 H new ATOM 0 HA ASP A 125 11.898 -0.152 -4.464 1.00 0.45 H new ATOM 0 HB2 ASP A 125 14.473 -0.364 -2.822 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.273 -0.939 -4.466 1.00 0.56 H new ATOM 1892 N ARG A 126 12.567 -1.983 -1.791 1.00 0.40 N ATOM 1893 CA ARG A 126 12.363 -3.309 -1.218 1.00 0.40 C ATOM 1894 C ARG A 126 10.893 -3.675 -1.273 1.00 0.34 C ATOM 1895 O ARG A 126 10.513 -4.686 -1.865 1.00 0.32 O ATOM 1896 CB ARG A 126 12.858 -3.351 0.227 1.00 0.47 C ATOM 1897 CG ARG A 126 12.862 -4.749 0.833 1.00 0.58 C ATOM 1898 CD ARG A 126 11.539 -5.096 1.508 1.00 1.25 C ATOM 1899 NE ARG A 126 11.670 -6.250 2.405 1.00 1.38 N ATOM 1900 CZ ARG A 126 10.743 -6.621 3.291 1.00 2.08 C ATOM 1901 NH1 ARG A 126 9.530 -6.086 3.268 1.00 2.99 N ATOM 1902 NH2 ARG A 126 11.009 -7.584 4.164 1.00 2.15 N ATOM 0 H ARG A 126 13.037 -1.321 -1.173 1.00 0.40 H new ATOM 0 HA ARG A 126 12.934 -4.031 -1.801 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.868 -2.944 0.267 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.229 -2.702 0.836 1.00 0.47 H new ATOM 0 HG2 ARG A 126 13.070 -5.480 0.052 1.00 0.58 H new ATOM 0 HG3 ARG A 126 13.669 -4.823 1.562 1.00 0.58 H new ATOM 0 HD2 ARG A 126 11.183 -4.235 2.073 1.00 1.25 H new ATOM 0 HD3 ARG A 126 10.788 -5.310 0.747 1.00 1.25 H new ATOM 0 HE ARG A 126 12.524 -6.804 2.348 1.00 1.38 H new ATOM 0 HH11 ARG A 126 9.296 -5.382 2.568 1.00 2.99 H new ATOM 0 HH12 ARG A 126 8.831 -6.378 3.951 1.00 2.99 H new ATOM 0 HH21 ARG A 126 11.921 -8.040 4.158 1.00 2.15 H new ATOM 0 HH22 ARG A 126 10.301 -7.868 4.841 1.00 2.15 H new ATOM 1916 N VAL A 127 10.081 -2.819 -0.673 1.00 0.34 N ATOM 1917 CA VAL A 127 8.634 -3.004 -0.632 1.00 0.34 C ATOM 1918 C VAL A 127 8.078 -3.080 -2.048 1.00 0.31 C ATOM 1919 O VAL A 127 7.290 -3.962 -2.382 1.00 0.33 O ATOM 1920 CB VAL A 127 7.952 -1.840 0.117 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.463 -2.102 0.293 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.626 -1.604 1.463 1.00 0.40 C ATOM 0 H VAL A 127 10.404 -1.975 -0.200 1.00 0.34 H new ATOM 0 HA VAL A 127 8.427 -3.935 -0.103 1.00 0.34 H new ATOM 0 HB VAL A 127 8.062 -0.937 -0.484 1.00 0.37 H new ATOM 0 HG11 VAL A 127 6.007 -1.266 0.824 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.994 -2.210 -0.685 1.00 0.39 H new ATOM 0 HG13 VAL A 127 6.320 -3.018 0.867 1.00 0.39 H new ATOM 0 HG21 VAL A 127 8.132 -0.780 1.978 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.553 -2.507 2.070 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.676 -1.357 1.306 1.00 0.40 H new ATOM 1932 N MET A 128 8.540 -2.170 -2.888 1.00 0.28 N ATOM 1933 CA MET A 128 8.066 -2.059 -4.258 1.00 0.26 C ATOM 1934 C MET A 128 8.396 -3.317 -5.060 1.00 0.25 C ATOM 1935 O MET A 128 7.659 -3.690 -5.975 1.00 0.25 O ATOM 1936 CB MET A 128 8.684 -0.830 -4.926 1.00 0.25 C ATOM 1937 CG MET A 128 8.387 0.471 -4.202 1.00 0.27 C ATOM 1938 SD MET A 128 9.201 1.897 -4.940 1.00 0.30 S ATOM 1939 CE MET A 128 8.293 2.044 -6.474 1.00 0.29 C ATOM 0 H MET A 128 9.255 -1.486 -2.640 1.00 0.28 H new ATOM 0 HA MET A 128 6.982 -1.949 -4.236 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.764 -0.964 -4.986 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.315 -0.759 -5.949 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.310 0.638 -4.197 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.701 0.380 -3.162 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.861 2.654 -7.176 1.00 0.29 H new ATOM 0 HE2 MET A 128 8.135 1.053 -6.900 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.329 2.515 -6.282 1.00 0.29 H new ATOM 1949 N GLN A 129 9.490 -3.982 -4.707 1.00 0.25 N ATOM 1950 CA GLN A 129 9.906 -5.178 -5.422 1.00 0.26 C ATOM 1951 C GLN A 129 9.082 -6.376 -4.987 1.00 0.29 C ATOM 1952 O GLN A 129 8.916 -7.329 -5.745 1.00 0.31 O ATOM 1953 CB GLN A 129 11.393 -5.439 -5.219 1.00 0.29 C ATOM 1954 CG GLN A 129 12.281 -4.498 -6.017 1.00 0.31 C ATOM 1955 CD GLN A 129 13.714 -4.504 -5.531 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.199 -5.510 -5.012 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.399 -3.386 -5.694 1.00 1.28 N ATOM 0 H GLN A 129 10.100 -3.714 -3.935 1.00 0.25 H new ATOM 0 HA GLN A 129 9.734 -5.017 -6.486 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.631 -5.342 -4.160 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.617 -6.467 -5.503 1.00 0.29 H new ATOM 0 HG2 GLN A 129 12.256 -4.784 -7.069 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.883 -3.485 -5.952 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.957 -2.576 -6.129 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.370 -3.333 -5.385 1.00 1.28 H new ATOM 1966 N GLU A 130 8.547 -6.324 -3.774 1.00 0.33 N ATOM 1967 CA GLU A 130 7.644 -7.366 -3.311 1.00 0.38 C ATOM 1968 C GLU A 130 6.410 -7.364 -4.181 1.00 0.33 C ATOM 1969 O GLU A 130 5.893 -8.413 -4.557 1.00 0.36 O ATOM 1970 CB GLU A 130 7.224 -7.134 -1.862 1.00 0.48 C ATOM 1971 CG GLU A 130 8.357 -6.663 -0.986 1.00 0.71 C ATOM 1972 CD GLU A 130 7.926 -6.381 0.440 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.135 -7.176 0.988 1.00 1.46 O ATOM 1974 OE2 GLU A 130 8.367 -5.358 1.014 1.00 2.02 O ATOM 0 H GLU A 130 8.721 -5.579 -3.100 1.00 0.33 H new ATOM 0 HA GLU A 130 8.163 -8.323 -3.371 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.422 -6.396 -1.836 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.819 -8.060 -1.455 1.00 0.48 H new ATOM 0 HG2 GLU A 130 9.142 -7.419 -0.980 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.789 -5.759 -1.415 1.00 0.71 H new ATOM 1981 N LEU A 131 5.969 -6.167 -4.547 1.00 0.29 N ATOM 1982 CA LEU A 131 4.738 -6.033 -5.306 1.00 0.29 C ATOM 1983 C LEU A 131 4.938 -6.539 -6.709 1.00 0.24 C ATOM 1984 O LEU A 131 4.112 -7.266 -7.253 1.00 0.25 O ATOM 1985 CB LEU A 131 4.255 -4.587 -5.334 1.00 0.32 C ATOM 1986 CG LEU A 131 3.489 -4.149 -4.091 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.354 -5.107 -3.815 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.412 -4.094 -2.904 1.00 1.06 C ATOM 0 H LEU A 131 6.440 -5.288 -4.333 1.00 0.29 H new ATOM 0 HA LEU A 131 3.973 -6.632 -4.812 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.117 -3.932 -5.463 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.616 -4.448 -6.206 1.00 0.32 H new ATOM 0 HG LEU A 131 3.079 -3.154 -4.267 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.814 -4.784 -2.925 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.674 -5.121 -4.667 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.754 -6.108 -3.654 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.853 -3.780 -2.023 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.840 -5.081 -2.730 1.00 1.06 H new ATOM 0 HD23 LEU A 131 5.213 -3.381 -3.099 1.00 1.06 H new ATOM 2000 N MET A 132 6.062 -6.196 -7.281 1.00 0.21 N ATOM 2001 CA MET A 132 6.370 -6.644 -8.614 1.00 0.22 C ATOM 2002 C MET A 132 6.718 -8.128 -8.604 1.00 0.26 C ATOM 2003 O MET A 132 6.837 -8.750 -9.658 1.00 0.32 O ATOM 2004 CB MET A 132 7.488 -5.803 -9.204 1.00 0.23 C ATOM 2005 CG MET A 132 8.876 -6.123 -8.677 1.00 0.26 C ATOM 2006 SD MET A 132 9.736 -7.288 -9.739 1.00 0.35 S ATOM 2007 CE MET A 132 9.231 -6.631 -11.323 1.00 0.32 C ATOM 0 H MET A 132 6.776 -5.611 -6.848 1.00 0.21 H new ATOM 0 HA MET A 132 5.493 -6.517 -9.249 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.488 -5.932 -10.286 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.274 -4.752 -9.008 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.457 -5.204 -8.599 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.797 -6.536 -7.672 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.949 -6.931 -12.087 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.245 -7.018 -11.580 1.00 0.32 H new ATOM 0 HE3 MET A 132 9.191 -5.543 -11.270 1.00 0.32 H new ATOM 2017 N GLU A 133 6.839 -8.703 -7.406 1.00 0.27 N ATOM 2018 CA GLU A 133 7.036 -10.133 -7.279 1.00 0.35 C ATOM 2019 C GLU A 133 5.688 -10.834 -7.387 1.00 0.34 C ATOM 2020 O GLU A 133 5.613 -12.002 -7.776 1.00 0.40 O ATOM 2021 CB GLU A 133 7.749 -10.487 -5.970 1.00 0.44 C ATOM 2022 CG GLU A 133 7.960 -11.981 -5.789 1.00 0.67 C ATOM 2023 CD GLU A 133 9.049 -12.319 -4.798 1.00 1.30 C ATOM 2024 OE1 GLU A 133 9.200 -11.599 -3.790 1.00 1.55 O ATOM 2025 OE2 GLU A 133 9.760 -13.320 -5.026 1.00 2.18 O ATOM 0 H GLU A 133 6.803 -8.198 -6.521 1.00 0.27 H new ATOM 0 HA GLU A 133 7.681 -10.476 -8.087 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.716 -9.984 -5.943 1.00 0.44 H new ATOM 0 HB3 GLU A 133 7.167 -10.105 -5.132 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.025 -12.435 -5.459 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.207 -12.425 -6.754 1.00 0.67 H new ATOM 2032 N TYR A 134 4.604 -10.119 -7.071 1.00 0.30 N ATOM 2033 CA TYR A 134 3.279 -10.626 -7.402 1.00 0.34 C ATOM 2034 C TYR A 134 2.919 -10.146 -8.803 1.00 0.36 C ATOM 2035 O TYR A 134 1.796 -10.299 -9.280 1.00 0.44 O ATOM 2036 CB TYR A 134 2.266 -10.198 -6.362 1.00 0.32 C ATOM 2037 CG TYR A 134 2.788 -10.368 -4.961 1.00 0.37 C ATOM 2038 CD1 TYR A 134 3.121 -11.623 -4.473 1.00 0.51 C ATOM 2039 CD2 TYR A 134 3.011 -9.267 -4.156 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.649 -11.776 -3.209 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.549 -9.408 -2.895 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.867 -10.664 -2.426 1.00 0.57 C ATOM 2043 OH TYR A 134 4.408 -10.809 -1.169 1.00 0.74 O ATOM 0 H TYR A 134 4.619 -9.214 -6.600 1.00 0.30 H new ATOM 0 HA TYR A 134 3.274 -11.716 -7.396 1.00 0.34 H new ATOM 0 HB2 TYR A 134 1.999 -9.154 -6.525 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.354 -10.783 -6.482 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.964 -12.493 -5.093 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.760 -8.282 -4.520 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.890 -12.760 -2.835 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.720 -8.539 -2.278 1.00 0.49 H new ATOM 0 HH TYR A 134 5.162 -10.192 -1.064 1.00 0.74 H new ATOM 2053 N ASN A 135 3.923 -9.510 -9.415 1.00 0.35 N ATOM 2054 CA ASN A 135 3.943 -9.152 -10.832 1.00 0.38 C ATOM 2055 C ASN A 135 2.994 -8.018 -11.103 1.00 0.42 C ATOM 2056 O ASN A 135 2.478 -7.862 -12.207 1.00 0.59 O ATOM 2057 CB ASN A 135 3.632 -10.353 -11.733 1.00 0.47 C ATOM 2058 CG ASN A 135 4.678 -11.453 -11.647 1.00 1.19 C ATOM 2059 OD1 ASN A 135 5.923 -11.085 -11.360 1.00 1.94 O flip ATOM 2060 ND2 ASN A 135 4.371 -12.630 -11.840 1.00 1.89 N flip ATOM 0 H ASN A 135 4.768 -9.223 -8.921 1.00 0.35 H new ATOM 0 HA ASN A 135 4.955 -8.825 -11.073 1.00 0.38 H new ATOM 0 HB2 ASN A 135 2.660 -10.763 -11.459 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.555 -10.014 -12.766 1.00 0.47 H new ATOM 0 HD21 ASN A 135 3.405 -12.876 -12.058 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.082 -13.359 -11.782 1.00 1.89 H new ATOM 2067 N LEU A 136 2.765 -7.231 -10.075 1.00 0.38 N ATOM 2068 CA LEU A 136 2.058 -5.990 -10.216 1.00 0.46 C ATOM 2069 C LEU A 136 3.088 -4.879 -10.166 1.00 0.39 C ATOM 2070 O LEU A 136 3.265 -4.182 -9.166 1.00 0.43 O ATOM 2071 CB LEU A 136 0.974 -5.848 -9.148 1.00 0.62 C ATOM 2072 CG LEU A 136 1.443 -5.890 -7.700 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.782 -4.787 -6.898 1.00 1.68 C ATOM 2074 CD2 LEU A 136 1.122 -7.241 -7.097 1.00 1.44 C ATOM 0 H LEU A 136 3.065 -7.438 -9.122 1.00 0.38 H new ATOM 0 HA LEU A 136 1.528 -5.945 -11.167 1.00 0.46 H new ATOM 0 HB2 LEU A 136 0.454 -4.904 -9.312 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.244 -6.644 -9.294 1.00 0.62 H new ATOM 0 HG LEU A 136 2.522 -5.735 -7.674 1.00 0.89 H new ATOM 0 HD11 LEU A 136 1.128 -4.831 -5.865 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.042 -3.819 -7.327 1.00 1.68 H new ATOM 0 HD13 LEU A 136 -0.300 -4.916 -6.924 1.00 1.68 H new ATOM 0 HD21 LEU A 136 1.459 -7.266 -6.061 1.00 1.44 H new ATOM 0 HD22 LEU A 136 0.046 -7.409 -7.132 1.00 1.44 H new ATOM 0 HD23 LEU A 136 1.630 -8.022 -7.663 1.00 1.44 H new ATOM 2086 N VAL A 137 3.823 -4.796 -11.259 1.00 0.33 N ATOM 2087 CA VAL A 137 4.955 -3.897 -11.374 1.00 0.27 C ATOM 2088 C VAL A 137 4.515 -2.467 -11.145 1.00 0.26 C ATOM 2089 O VAL A 137 3.503 -2.031 -11.680 1.00 0.27 O ATOM 2090 CB VAL A 137 5.617 -3.984 -12.762 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.135 -3.927 -12.640 1.00 0.61 C ATOM 2092 CG2 VAL A 137 5.159 -5.229 -13.508 1.00 0.49 C ATOM 0 H VAL A 137 3.650 -5.353 -12.096 1.00 0.33 H new ATOM 0 HA VAL A 137 5.679 -4.200 -10.617 1.00 0.27 H new ATOM 0 HB VAL A 137 5.301 -3.121 -13.347 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.582 -3.990 -13.632 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.427 -2.988 -12.169 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.483 -4.762 -12.032 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.641 -5.266 -14.485 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.430 -6.116 -12.936 1.00 0.49 H new ATOM 0 HG23 VAL A 137 4.077 -5.198 -13.638 1.00 0.49 H new ATOM 2102 N PRO A 138 5.248 -1.734 -10.313 1.00 0.25 N ATOM 2103 CA PRO A 138 5.018 -0.311 -10.110 1.00 0.27 C ATOM 2104 C PRO A 138 4.862 0.453 -11.407 1.00 0.30 C ATOM 2105 O PRO A 138 5.439 0.109 -12.436 1.00 0.29 O ATOM 2106 CB PRO A 138 6.277 0.147 -9.415 1.00 0.30 C ATOM 2107 CG PRO A 138 6.713 -1.035 -8.641 1.00 0.29 C ATOM 2108 CD PRO A 138 6.325 -2.245 -9.450 1.00 0.27 C ATOM 0 HA PRO A 138 4.097 -0.136 -9.555 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.038 0.457 -10.132 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.085 1.001 -8.765 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.789 -1.011 -8.471 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.236 -1.054 -7.661 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.163 -2.626 -10.033 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.981 -3.062 -8.815 1.00 0.27 H new ATOM 2116 N GLU A 139 4.107 1.516 -11.314 1.00 0.35 N ATOM 2117 CA GLU A 139 3.806 2.371 -12.449 1.00 0.40 C ATOM 2118 C GLU A 139 5.031 3.219 -12.736 1.00 0.42 C ATOM 2119 O GLU A 139 5.262 3.661 -13.857 1.00 0.50 O ATOM 2120 CB GLU A 139 2.581 3.232 -12.120 1.00 0.47 C ATOM 2121 CG GLU A 139 1.759 3.664 -13.324 1.00 0.80 C ATOM 2122 CD GLU A 139 2.417 4.753 -14.142 1.00 1.49 C ATOM 2123 OE1 GLU A 139 2.949 5.714 -13.544 1.00 1.98 O ATOM 2124 OE2 GLU A 139 2.406 4.658 -15.390 1.00 2.01 O ATOM 0 H GLU A 139 3.676 1.822 -10.442 1.00 0.35 H new ATOM 0 HA GLU A 139 3.569 1.785 -13.337 1.00 0.40 H new ATOM 0 HB2 GLU A 139 1.937 2.676 -11.439 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.914 4.123 -11.587 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.580 2.798 -13.962 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.785 4.015 -12.983 1.00 0.80 H new ATOM 2131 N GLU A 140 5.817 3.417 -11.684 1.00 0.42 N ATOM 2132 CA GLU A 140 7.140 4.017 -11.791 1.00 0.44 C ATOM 2133 C GLU A 140 7.972 3.215 -12.773 1.00 0.43 C ATOM 2134 O GLU A 140 8.763 3.758 -13.543 1.00 0.51 O ATOM 2135 CB GLU A 140 7.866 3.964 -10.441 1.00 0.45 C ATOM 2136 CG GLU A 140 6.970 3.750 -9.237 1.00 0.75 C ATOM 2137 CD GLU A 140 5.890 4.805 -9.078 1.00 0.87 C ATOM 2138 OE1 GLU A 140 6.224 5.991 -8.872 1.00 1.14 O ATOM 2139 OE2 GLU A 140 4.696 4.444 -9.177 1.00 1.01 O ATOM 0 H GLU A 140 5.554 3.165 -10.731 1.00 0.42 H new ATOM 0 HA GLU A 140 7.019 5.051 -12.115 1.00 0.44 H new ATOM 0 HB2 GLU A 140 8.603 3.161 -10.473 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.415 4.895 -10.305 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.498 2.771 -9.317 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.585 3.735 -8.337 1.00 0.75 H new ATOM 2146 N TRP A 141 7.796 1.902 -12.702 1.00 0.35 N ATOM 2147 CA TRP A 141 8.628 0.980 -13.445 1.00 0.35 C ATOM 2148 C TRP A 141 7.952 0.588 -14.752 1.00 0.38 C ATOM 2149 O TRP A 141 8.619 0.209 -15.711 1.00 0.45 O ATOM 2150 CB TRP A 141 8.959 -0.242 -12.601 1.00 0.32 C ATOM 2151 CG TRP A 141 9.378 0.079 -11.183 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.575 1.317 -10.628 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.626 -0.860 -10.135 1.00 0.25 C ATOM 2154 NE1 TRP A 141 9.900 1.206 -9.312 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.950 -0.124 -8.976 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.596 -2.250 -10.065 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.232 -0.743 -7.759 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.873 -2.866 -8.856 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.189 -2.115 -7.714 1.00 0.23 C ATOM 0 H TRP A 141 7.078 1.455 -12.132 1.00 0.35 H new ATOM 0 HA TRP A 141 9.567 1.476 -13.691 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.088 -0.896 -12.571 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.760 -0.800 -13.087 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.485 2.251 -11.162 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.078 1.985 -8.678 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.361 -2.838 -10.939 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.476 -0.163 -6.881 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.845 -3.944 -8.791 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.402 -2.623 -6.785 1.00 0.23 H new ATOM 2170 N GLY A 142 6.622 0.668 -14.794 1.00 0.35 N ATOM 2171 CA GLY A 142 5.928 0.494 -16.052 1.00 0.39 C ATOM 2172 C GLY A 142 5.030 -0.716 -16.044 1.00 0.38 C ATOM 2173 O GLY A 142 4.728 -1.289 -17.089 1.00 0.45 O ATOM 0 H GLY A 142 6.023 0.848 -13.988 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.334 1.383 -16.264 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.657 0.398 -16.857 1.00 0.39 H new ATOM 2177 N GLY A 143 4.619 -1.118 -14.857 1.00 0.33 N ATOM 2178 CA GLY A 143 3.747 -2.260 -14.735 1.00 0.34 C ATOM 2179 C GLY A 143 2.289 -1.882 -14.659 1.00 0.37 C ATOM 2180 O GLY A 143 1.731 -1.314 -15.601 1.00 0.50 O ATOM 0 H GLY A 143 4.874 -0.674 -13.975 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.901 -2.921 -15.588 1.00 0.34 H new ATOM 0 HA3 GLY A 143 4.018 -2.823 -13.842 1.00 0.34 H new ATOM 2184 N ASP A 144 1.679 -2.181 -13.525 1.00 0.33 N ATOM 2185 CA ASP A 144 0.249 -2.014 -13.362 1.00 0.40 C ATOM 2186 C ASP A 144 -0.119 -1.586 -11.939 1.00 0.30 C ATOM 2187 O ASP A 144 -1.246 -1.823 -11.481 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.479 -3.318 -13.728 1.00 0.57 C ATOM 2189 CG ASP A 144 0.076 -4.540 -13.006 1.00 0.93 C ATOM 2190 OD1 ASP A 144 1.169 -5.015 -13.390 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -0.582 -5.046 -12.072 1.00 1.30 O ATOM 0 H ASP A 144 2.157 -2.543 -12.700 1.00 0.33 H new ATOM 0 HA ASP A 144 -0.069 -1.218 -14.036 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.538 -3.214 -13.491 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.407 -3.476 -14.804 1.00 0.57 H new ATOM 2196 N THR A 145 0.812 -0.944 -11.226 1.00 0.25 N ATOM 2197 CA THR A 145 0.531 -0.576 -9.836 1.00 0.24 C ATOM 2198 C THR A 145 1.120 0.776 -9.439 1.00 0.24 C ATOM 2199 O THR A 145 2.325 0.991 -9.518 1.00 0.31 O ATOM 2200 CB THR A 145 1.047 -1.657 -8.879 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.517 -2.920 -9.283 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.634 -1.369 -7.446 1.00 0.28 C ATOM 0 H THR A 145 1.734 -0.677 -11.572 1.00 0.25 H new ATOM 0 HA THR A 145 -0.553 -0.492 -9.759 1.00 0.24 H new ATOM 0 HB THR A 145 2.136 -1.668 -8.919 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.417 -2.810 -9.558 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.015 -2.154 -6.793 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.043 -0.408 -7.136 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.454 -1.339 -7.380 1.00 0.28 H new ATOM 2210 N ILE A 146 0.259 1.675 -8.977 1.00 0.26 N ATOM 2211 CA ILE A 146 0.683 3.008 -8.576 1.00 0.27 C ATOM 2212 C ILE A 146 1.174 2.997 -7.127 1.00 0.24 C ATOM 2213 O ILE A 146 0.419 2.677 -6.214 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.460 4.047 -8.730 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -0.856 4.227 -10.204 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.049 5.387 -8.136 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -1.681 3.091 -10.776 1.00 1.23 C ATOM 0 H ILE A 146 -0.741 1.502 -8.871 1.00 0.26 H new ATOM 0 HA ILE A 146 1.499 3.301 -9.237 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.326 3.668 -8.187 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.419 5.155 -10.305 1.00 0.48 H new ATOM 0 HG13 ILE A 146 0.050 4.337 -10.800 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -0.863 6.102 -8.254 1.00 0.34 H new ATOM 0 HG22 ILE A 146 0.174 5.262 -7.076 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.837 5.757 -8.652 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -1.915 3.301 -11.820 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.115 2.162 -10.711 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.607 2.992 -10.209 1.00 1.23 H new ATOM 2229 N PHE A 147 2.440 3.337 -6.926 1.00 0.23 N ATOM 2230 CA PHE A 147 3.037 3.337 -5.591 1.00 0.22 C ATOM 2231 C PHE A 147 2.935 4.709 -4.938 1.00 0.24 C ATOM 2232 O PHE A 147 3.499 5.685 -5.428 1.00 0.38 O ATOM 2233 CB PHE A 147 4.498 2.899 -5.669 1.00 0.23 C ATOM 2234 CG PHE A 147 4.655 1.417 -5.550 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.380 0.601 -6.632 1.00 0.20 C ATOM 2236 CD2 PHE A 147 5.110 0.840 -4.373 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.545 -0.764 -6.544 1.00 0.20 C ATOM 2238 CE2 PHE A 147 5.282 -0.527 -4.284 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.895 -1.333 -5.287 1.00 0.19 C ATOM 0 H PHE A 147 3.078 3.618 -7.671 1.00 0.23 H new ATOM 0 HA PHE A 147 2.482 2.630 -4.975 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.924 3.232 -6.615 1.00 0.23 H new ATOM 0 HB3 PHE A 147 5.064 3.387 -4.875 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.032 1.038 -7.556 1.00 0.20 H new ATOM 0 HD2 PHE A 147 5.331 1.465 -3.520 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.411 -1.391 -7.413 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.732 -0.953 -3.399 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.850 -2.402 -5.141 1.00 0.19 H new ATOM 2249 N CYS A 148 2.206 4.773 -3.839 1.00 0.25 N ATOM 2250 CA CYS A 148 2.029 6.012 -3.101 1.00 0.28 C ATOM 2251 C CYS A 148 2.671 5.916 -1.728 1.00 0.26 C ATOM 2252 O CYS A 148 2.200 5.175 -0.870 1.00 0.32 O ATOM 2253 CB CYS A 148 0.543 6.304 -2.931 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.379 6.369 -4.484 1.00 1.10 S ATOM 0 H CYS A 148 1.722 3.972 -3.434 1.00 0.25 H new ATOM 0 HA CYS A 148 2.506 6.815 -3.663 1.00 0.28 H new ATOM 0 HB2 CYS A 148 0.104 5.538 -2.292 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.428 7.256 -2.412 1.00 0.30 H new ATOM 0 HG CYS A 148 -0.743 5.168 -4.823 1.00 1.10 H new ATOM 2260 N LYS A 149 3.753 6.642 -1.522 1.00 0.37 N ATOM 2261 CA LYS A 149 4.349 6.748 -0.202 1.00 0.38 C ATOM 2262 C LYS A 149 3.652 7.849 0.590 1.00 0.39 C ATOM 2263 O LYS A 149 4.093 8.998 0.614 1.00 0.47 O ATOM 2264 CB LYS A 149 5.850 7.015 -0.310 1.00 0.47 C ATOM 2265 CG LYS A 149 6.215 8.106 -1.312 1.00 0.64 C ATOM 2266 CD LYS A 149 7.609 8.669 -1.068 1.00 0.94 C ATOM 2267 CE LYS A 149 7.669 9.447 0.236 1.00 1.57 C ATOM 2268 NZ LYS A 149 8.965 10.151 0.409 1.00 2.44 N ATOM 0 H LYS A 149 4.238 7.167 -2.250 1.00 0.37 H new ATOM 0 HA LYS A 149 4.218 5.803 0.326 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.230 7.296 0.672 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.354 6.091 -0.595 1.00 0.47 H new ATOM 0 HG2 LYS A 149 6.160 7.702 -2.323 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.484 8.912 -1.251 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.333 7.855 -1.042 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.891 9.320 -1.896 1.00 0.94 H new ATOM 0 HE2 LYS A 149 6.857 10.173 0.262 1.00 1.57 H new ATOM 0 HE3 LYS A 149 7.513 8.765 1.072 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 8.961 10.668 1.311 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 9.740 9.457 0.411 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 9.103 10.822 -0.374 1.00 2.44 H new ATOM 2282 N LEU A 150 2.556 7.488 1.236 1.00 0.40 N ATOM 2283 CA LEU A 150 1.699 8.462 1.883 1.00 0.45 C ATOM 2284 C LEU A 150 1.691 8.292 3.397 1.00 0.45 C ATOM 2285 O LEU A 150 2.432 7.485 3.956 1.00 0.49 O ATOM 2286 CB LEU A 150 0.273 8.393 1.291 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.611 7.163 1.607 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.190 5.892 1.774 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.494 7.413 2.821 1.00 1.27 C ATOM 0 H LEU A 150 2.239 6.523 1.325 1.00 0.40 H new ATOM 0 HA LEU A 150 2.103 9.455 1.686 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.265 9.280 1.625 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.363 8.464 0.207 1.00 0.60 H new ATOM 0 HG LEU A 150 -1.254 7.017 0.739 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.484 5.064 1.994 1.00 1.25 H new ATOM 0 HD12 LEU A 150 0.735 5.682 0.854 1.00 1.25 H new ATOM 0 HD13 LEU A 150 0.897 6.013 2.595 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -2.102 6.530 3.016 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.869 7.622 3.689 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -2.144 8.266 2.628 1.00 1.27 H new ATOM 2301 N SER A 151 0.859 9.077 4.052 1.00 0.49 N ATOM 2302 CA SER A 151 0.777 9.090 5.497 1.00 0.55 C ATOM 2303 C SER A 151 -0.558 9.690 5.940 1.00 0.57 C ATOM 2304 O SER A 151 -0.875 10.834 5.614 1.00 0.60 O ATOM 2305 CB SER A 151 1.949 9.878 6.054 1.00 0.66 C ATOM 2306 OG SER A 151 3.167 9.158 5.925 1.00 1.79 O ATOM 0 H SER A 151 0.219 9.726 3.594 1.00 0.49 H new ATOM 0 HA SER A 151 0.827 8.072 5.883 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.031 10.830 5.530 1.00 0.66 H new ATOM 0 HB3 SER A 151 1.769 10.106 7.105 1.00 0.66 H new ATOM 0 HG SER A 151 3.010 8.339 5.410 1.00 1.79 H new ATOM 2312 N ALA A 152 -1.345 8.891 6.659 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.703 9.273 7.044 1.00 0.70 C ATOM 2314 C ALA A 152 -2.724 10.319 8.152 1.00 0.74 C ATOM 2315 O ALA A 152 -3.353 11.367 8.010 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.488 8.045 7.473 1.00 0.86 C ATOM 0 H ALA A 152 -1.063 7.968 6.989 1.00 0.62 H new ATOM 0 HA ALA A 152 -3.170 9.723 6.168 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.498 8.340 7.758 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.536 7.337 6.646 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.994 7.576 8.324 1.00 0.86 H new ATOM 2322 N LYS A 153 -2.036 10.045 9.249 1.00 0.77 N ATOM 2323 CA LYS A 153 -2.049 10.939 10.390 1.00 0.93 C ATOM 2324 C LYS A 153 -1.190 12.146 10.103 1.00 0.86 C ATOM 2325 O LYS A 153 -1.565 13.283 10.379 1.00 0.96 O ATOM 2326 CB LYS A 153 -1.564 10.203 11.631 1.00 1.13 C ATOM 2327 CG LYS A 153 -0.123 9.714 11.592 1.00 1.19 C ATOM 2328 CD LYS A 153 0.159 8.775 12.755 1.00 1.68 C ATOM 2329 CE LYS A 153 1.645 8.497 12.917 1.00 2.31 C ATOM 2330 NZ LYS A 153 2.385 9.697 13.375 1.00 3.03 N ATOM 0 H LYS A 153 -1.463 9.210 9.371 1.00 0.77 H new ATOM 0 HA LYS A 153 -3.068 11.280 10.574 1.00 0.93 H new ATOM 0 HB2 LYS A 153 -1.680 10.863 12.490 1.00 1.13 H new ATOM 0 HB3 LYS A 153 -2.214 9.345 11.798 1.00 1.13 H new ATOM 0 HG2 LYS A 153 0.066 9.200 10.649 1.00 1.19 H new ATOM 0 HG3 LYS A 153 0.556 10.566 11.633 1.00 1.19 H new ATOM 0 HD2 LYS A 153 -0.230 9.211 13.675 1.00 1.68 H new ATOM 0 HD3 LYS A 153 -0.370 7.835 12.598 1.00 1.68 H new ATOM 0 HE2 LYS A 153 1.787 7.688 13.633 1.00 2.31 H new ATOM 0 HE3 LYS A 153 2.057 8.157 11.967 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 3.320 9.413 13.730 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 2.502 10.357 12.580 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 1.852 10.164 14.137 1.00 3.03 H new ATOM 2344 N THR A 154 -0.044 11.865 9.523 1.00 0.78 N ATOM 2345 CA THR A 154 0.848 12.888 9.002 1.00 0.81 C ATOM 2346 C THR A 154 0.120 13.743 7.956 1.00 0.73 C ATOM 2347 O THR A 154 0.517 14.872 7.662 1.00 0.82 O ATOM 2348 CB THR A 154 2.075 12.218 8.371 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.141 10.858 8.827 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.362 12.944 8.740 1.00 1.20 C ATOM 0 H THR A 154 0.302 10.914 9.397 1.00 0.78 H new ATOM 0 HA THR A 154 1.168 13.536 9.818 1.00 0.81 H new ATOM 0 HB THR A 154 1.973 12.256 7.286 1.00 0.89 H new ATOM 0 HG1 THR A 154 2.999 10.465 8.562 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.210 12.441 8.275 1.00 1.20 H new ATOM 0 HG22 THR A 154 3.313 13.974 8.387 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.486 12.938 9.823 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.941 13.152 7.394 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.911 13.832 6.523 1.00 0.67 C ATOM 2360 C LYS A 155 -1.380 14.130 5.115 1.00 0.66 C ATOM 2361 O LYS A 155 -2.118 13.985 4.140 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.426 15.114 7.192 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.675 15.685 6.537 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.794 14.649 6.431 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.497 14.373 7.762 1.00 1.39 C ATOM 2366 NZ LYS A 155 -4.595 13.784 8.792 1.00 2.27 N ATOM 0 H LYS A 155 -1.155 12.165 7.535 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.737 13.134 6.387 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.639 14.906 8.241 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -1.638 15.867 7.170 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.027 16.541 7.113 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.426 16.052 5.541 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -5.530 14.994 5.705 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.380 13.716 6.047 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -5.915 15.304 8.144 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.333 13.695 7.590 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -5.149 13.187 9.439 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -3.867 13.206 8.326 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -4.138 14.547 9.331 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.115 14.528 5.010 1.00 0.62 N ATOM 2381 CA GLU A 156 0.486 14.927 3.728 1.00 0.66 C ATOM 2382 C GLU A 156 0.218 13.905 2.628 1.00 0.59 C ATOM 2383 O GLU A 156 -0.153 14.249 1.498 1.00 0.58 O ATOM 2384 CB GLU A 156 1.995 15.070 3.874 1.00 0.75 C ATOM 2385 CG GLU A 156 2.435 15.790 5.130 1.00 1.13 C ATOM 2386 CD GLU A 156 3.909 16.107 5.104 1.00 1.78 C ATOM 2387 OE1 GLU A 156 4.666 15.357 4.449 1.00 2.03 O ATOM 2388 OE2 GLU A 156 4.317 17.108 5.723 1.00 2.64 O ATOM 0 H GLU A 156 0.524 14.585 5.803 1.00 0.62 H new ATOM 0 HA GLU A 156 0.030 15.878 3.452 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.445 14.077 3.862 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.383 15.606 3.008 1.00 0.75 H new ATOM 0 HG2 GLU A 156 1.866 16.713 5.238 1.00 1.13 H new ATOM 0 HG3 GLU A 156 2.211 15.173 6.000 1.00 1.13 H new ATOM 2395 N GLY A 157 0.428 12.645 2.971 1.00 0.62 N ATOM 2396 CA GLY A 157 0.315 11.587 2.007 1.00 0.61 C ATOM 2397 C GLY A 157 -1.083 11.422 1.450 1.00 0.48 C ATOM 2398 O GLY A 157 -1.241 11.061 0.290 1.00 0.46 O ATOM 0 H GLY A 157 0.677 12.340 3.912 1.00 0.62 H new ATOM 0 HA2 GLY A 157 1.004 11.780 1.185 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.626 10.650 2.470 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.090 11.690 2.271 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.477 11.492 1.873 1.00 0.50 C ATOM 2404 C LEU A 158 -3.824 12.332 0.658 1.00 0.46 C ATOM 2405 O LEU A 158 -4.415 11.838 -0.302 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.411 11.845 3.024 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.288 10.955 4.254 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -5.308 11.367 5.296 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -4.469 9.496 3.873 1.00 1.27 C ATOM 0 H LEU A 158 -1.971 12.046 3.219 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.603 10.441 1.613 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -4.222 12.877 3.321 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.439 11.800 2.664 1.00 0.62 H new ATOM 0 HG LEU A 158 -3.291 11.074 4.677 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -5.213 10.725 6.172 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -5.135 12.404 5.585 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.311 11.269 4.882 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -4.378 8.874 4.763 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.455 9.355 3.431 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -3.704 9.211 3.151 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.440 13.597 0.708 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.694 14.517 -0.389 1.00 0.57 C ATOM 2423 C ASP A 159 -3.023 14.017 -1.663 1.00 0.50 C ATOM 2424 O ASP A 159 -3.631 14.003 -2.729 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.190 15.918 -0.030 1.00 0.73 C ATOM 2426 CG ASP A 159 -3.495 16.943 -1.103 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -4.638 17.451 -1.140 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -2.589 17.263 -1.896 1.00 2.50 O ATOM 0 H ASP A 159 -2.949 14.012 1.500 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.769 14.569 -0.563 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.646 16.234 0.908 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -2.113 15.881 0.135 1.00 0.73 H new ATOM 2433 N HIS A 160 -1.774 13.573 -1.537 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.039 13.033 -2.679 1.00 0.46 C ATOM 2435 C HIS A 160 -1.685 11.740 -3.182 1.00 0.41 C ATOM 2436 O HIS A 160 -1.761 11.500 -4.384 1.00 0.43 O ATOM 2437 CB HIS A 160 0.423 12.779 -2.305 1.00 0.50 C ATOM 2438 CG HIS A 160 1.288 12.364 -3.459 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.670 13.231 -4.460 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.866 11.175 -3.755 1.00 0.59 C ATOM 2441 CE1 HIS A 160 2.445 12.595 -5.318 1.00 0.73 C ATOM 2442 NE2 HIS A 160 2.581 11.348 -4.911 1.00 0.67 N ATOM 0 H HIS A 160 -1.252 13.576 -0.661 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.074 13.771 -3.481 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.836 13.685 -1.863 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.462 12.004 -1.539 1.00 0.50 H new ATOM 0 HD2 HIS A 160 1.779 10.261 -3.186 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.892 13.023 -6.203 1.00 0.73 H new ATOM 0 HE2 HIS A 160 3.130 10.628 -5.381 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.154 10.914 -2.251 1.00 0.39 N ATOM 2452 CA LEU A 161 -2.793 9.644 -2.586 1.00 0.39 C ATOM 2453 C LEU A 161 -4.026 9.865 -3.457 1.00 0.39 C ATOM 2454 O LEU A 161 -4.156 9.264 -4.523 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.181 8.900 -1.302 1.00 0.41 C ATOM 2456 CG LEU A 161 -3.958 7.595 -1.503 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.127 6.584 -2.278 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.386 7.021 -0.162 1.00 0.88 C ATOM 0 H LEU A 161 -2.103 11.104 -1.250 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.082 9.041 -3.151 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.272 8.678 -0.743 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -3.781 9.568 -0.684 1.00 0.41 H new ATOM 0 HG LEU A 161 -4.852 7.816 -2.086 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -3.700 5.666 -2.408 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -2.873 6.995 -3.255 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.212 6.366 -1.727 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -4.937 6.094 -0.322 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -3.504 6.819 0.445 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.025 7.738 0.354 1.00 0.88 H new ATOM 2470 N LEU A 162 -4.912 10.745 -3.005 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.144 11.035 -3.724 1.00 0.44 C ATOM 2472 C LEU A 162 -5.846 11.577 -5.118 1.00 0.45 C ATOM 2473 O LEU A 162 -6.580 11.305 -6.067 1.00 0.48 O ATOM 2474 CB LEU A 162 -6.975 12.038 -2.929 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.366 11.576 -1.524 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.058 12.694 -0.766 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.260 10.348 -1.595 1.00 1.06 C ATOM 0 H LEU A 162 -4.798 11.272 -2.139 1.00 0.40 H new ATOM 0 HA LEU A 162 -6.709 10.110 -3.839 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.414 12.969 -2.847 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -7.883 12.261 -3.489 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.456 11.309 -0.986 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.328 12.345 0.231 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.385 13.547 -0.682 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -8.959 12.994 -1.302 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -8.528 10.034 -0.586 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.165 10.589 -2.152 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -7.729 9.540 -2.097 1.00 1.06 H new ATOM 2489 N GLU A 163 -4.756 12.328 -5.235 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.326 12.856 -6.522 1.00 0.52 C ATOM 2491 C GLU A 163 -4.003 11.722 -7.487 1.00 0.51 C ATOM 2492 O GLU A 163 -4.415 11.747 -8.645 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.108 13.760 -6.350 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.418 15.075 -5.658 1.00 1.06 C ATOM 2495 CD GLU A 163 -4.316 15.970 -6.484 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -3.786 16.734 -7.319 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -5.551 15.926 -6.301 1.00 2.49 O ATOM 0 H GLU A 163 -4.154 12.584 -4.452 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.144 13.445 -6.938 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.349 13.228 -5.776 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -2.679 13.968 -7.330 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -3.895 14.873 -4.699 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -2.486 15.598 -5.446 1.00 1.06 H new ATOM 2504 N MET A 164 -3.271 10.723 -7.004 1.00 0.49 N ATOM 2505 CA MET A 164 -2.923 9.568 -7.825 1.00 0.52 C ATOM 2506 C MET A 164 -4.166 8.762 -8.171 1.00 0.51 C ATOM 2507 O MET A 164 -4.295 8.248 -9.281 1.00 0.57 O ATOM 2508 CB MET A 164 -1.906 8.676 -7.111 1.00 0.53 C ATOM 2509 CG MET A 164 -0.444 9.043 -7.358 1.00 0.68 C ATOM 2510 SD MET A 164 0.003 10.695 -6.787 1.00 0.87 S ATOM 2511 CE MET A 164 -0.446 11.705 -8.199 1.00 0.67 C ATOM 0 H MET A 164 -2.908 10.690 -6.051 1.00 0.49 H new ATOM 0 HA MET A 164 -2.474 9.937 -8.747 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.099 8.715 -6.039 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.065 7.645 -7.426 1.00 0.53 H new ATOM 0 HG2 MET A 164 0.193 8.312 -6.859 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.237 8.970 -8.426 1.00 0.68 H new ATOM 0 HE1 MET A 164 0.360 12.406 -8.416 1.00 0.67 H new ATOM 0 HE2 MET A 164 -0.613 11.065 -9.065 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.358 12.259 -7.975 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.081 8.665 -7.217 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.337 7.976 -7.419 1.00 0.51 C ATOM 2523 C ILE A 165 -7.147 8.647 -8.535 1.00 0.58 C ATOM 2524 O ILE A 165 -7.624 7.983 -9.458 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.136 7.970 -6.101 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.401 7.152 -5.037 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.531 7.432 -6.314 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.076 7.178 -3.684 1.00 0.50 C ATOM 0 H ILE A 165 -4.969 9.063 -6.284 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.135 6.948 -7.721 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.223 8.999 -5.752 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.322 6.119 -5.375 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.385 7.533 -4.935 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.072 7.439 -5.368 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.056 8.057 -7.037 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -8.474 6.411 -6.691 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -6.501 6.578 -2.979 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.132 8.206 -3.325 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.083 6.769 -3.772 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.273 9.969 -8.452 1.00 0.61 N ATOM 2541 CA LEU A 166 -7.959 10.749 -9.475 1.00 0.72 C ATOM 2542 C LEU A 166 -7.216 10.673 -10.803 1.00 0.72 C ATOM 2543 O LEU A 166 -7.830 10.619 -11.869 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.059 12.204 -9.035 1.00 0.82 C ATOM 2545 CG LEU A 166 -8.936 12.463 -7.810 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -8.806 13.910 -7.364 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -10.391 12.126 -8.112 1.00 1.48 C ATOM 0 H LEU A 166 -6.905 10.525 -7.680 1.00 0.61 H new ATOM 0 HA LEU A 166 -8.958 10.334 -9.608 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.055 12.572 -8.825 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -8.446 12.791 -9.868 1.00 0.82 H new ATOM 0 HG LEU A 166 -8.597 11.818 -6.999 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -9.436 14.080 -6.491 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -7.767 14.120 -7.108 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -9.121 14.570 -8.172 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -11.000 12.317 -7.228 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -10.744 12.745 -8.936 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -10.471 11.075 -8.388 1.00 1.48 H new ATOM 2559 N LEU A 167 -5.887 10.679 -10.723 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.034 10.592 -11.901 1.00 0.79 C ATOM 2561 C LEU A 167 -5.406 9.358 -12.713 1.00 0.87 C ATOM 2562 O LEU A 167 -5.572 9.431 -13.927 1.00 1.02 O ATOM 2563 CB LEU A 167 -3.551 10.551 -11.483 1.00 0.84 C ATOM 2564 CG LEU A 167 -2.511 10.757 -12.600 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -2.340 9.502 -13.445 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -2.896 11.940 -13.478 1.00 1.41 C ATOM 0 H LEU A 167 -5.375 10.744 -9.843 1.00 0.69 H new ATOM 0 HA LEU A 167 -5.185 11.475 -12.522 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -3.390 11.316 -10.723 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.357 9.588 -11.011 1.00 0.84 H new ATOM 0 HG LEU A 167 -1.554 10.969 -12.123 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -1.599 9.685 -14.223 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -2.006 8.680 -12.812 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.293 9.241 -13.906 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -2.149 12.070 -14.261 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -3.870 11.755 -13.932 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -2.945 12.843 -12.870 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.579 8.238 -12.025 1.00 0.83 N ATOM 2579 CA VAL A 168 -5.896 6.982 -12.673 1.00 0.96 C ATOM 2580 C VAL A 168 -7.302 7.010 -13.263 1.00 1.01 C ATOM 2581 O VAL A 168 -7.515 6.583 -14.401 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.762 5.819 -11.675 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.306 4.538 -12.267 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.310 5.646 -11.268 1.00 1.14 C ATOM 0 H VAL A 168 -5.503 8.178 -11.010 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.188 6.833 -13.488 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.348 6.055 -10.787 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.201 3.729 -11.544 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.360 4.670 -12.513 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -5.750 4.290 -13.171 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.226 4.820 -10.561 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -3.708 5.431 -12.151 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -3.952 6.563 -10.799 1.00 1.14 H new