USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=27 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 153 LYS NZ :NH3+ 167:sc= 0.0674 (180deg=-0.59) USER MOD Set 1.2: A 154 THR OG1 : rot -133:sc= 0.0791 USER MOD Set 2.1: A 148 CYS SG : rot 100:sc= 0.11 USER MOD Set 2.2: A 160 HIS :FLIP no HE2:sc= 0.152 F(o=-1.3,f=0.26) USER MOD Set 3.1: A 19 HIS : no HE2:sc= -3.22! X(o=-3.4!,f=-3.5) USER MOD Set 3.2: A 96 THR OG1 : rot -90:sc= -0.224 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-9.5!) USER MOD Set 4.2: A 93 MET CE :methyl 152:sc= -0.455 (180deg=-1.61!) USER MOD Set 4.3: A 95 GLN :FLIP amide:sc= 0.512 F(o=-3.4,f=-2.4) USER MOD Set 5.1: A 49 GLN : amide:sc= 0.239 X(o=0.46,f=0) USER MOD Set 5.2: A 58 THR OG1 : rot -55:sc= 0.218 USER MOD Set 6.1: A 31 SER OG : rot 60:sc= 1.1 USER MOD Set 6.2: A 155 LYS NZ :NH3+ -144:sc= -0.82 (180deg=-2.55!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -126:sc= 0 (180deg=-2.14!) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= -0.025 (180deg=-0.212) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= 0.941 K(o=0.94,f=-3.7!) USER MOD Single : A 48 TYR OH : rot 165:sc= -0.0265 USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 102 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -118:sc= 1.27 (180deg=0.115) USER MOD Single : A 107 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.11) USER MOD Single : A 115 ASN : amide:sc= 0.0581 K(o=0.058,f=-4.8!) USER MOD Single : A 116 LYS NZ :NH3+ 165:sc= 0.805 (180deg=0.586) USER MOD Single : A 117 MET CE :methyl -117:sc= -3.9! (180deg=-5.69!) USER MOD Single : A 123 ASN : amide:sc= -0.286 K(o=-0.29,f=-3.6!) USER MOD Single : A 128 MET CE :methyl -165:sc= -0.654 (180deg=-1.25) USER MOD Single : A 129 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.2) USER MOD Single : A 132 MET CE :methyl 155:sc= -2.55! (180deg=-5.71!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 145 THR OG1 : rot -50:sc= -1.64! USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 22:sc= 1.17 USER MOD Single : A 164 MET CE :methyl 141:sc= -2.08! (180deg=-4.47!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -14.571 2.758 -5.570 1.00 0.67 N ATOM 156 CA VAL A 11 -13.206 2.292 -5.615 1.00 0.60 C ATOM 157 C VAL A 11 -12.926 1.397 -4.409 1.00 0.56 C ATOM 158 O VAL A 11 -13.395 1.667 -3.301 1.00 0.74 O ATOM 159 CB VAL A 11 -12.240 3.495 -5.644 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.866 3.110 -5.148 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.155 4.075 -7.052 1.00 0.98 C ATOM 0 HA VAL A 11 -13.051 1.708 -6.522 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.635 4.257 -4.973 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.210 3.980 -5.181 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.938 2.749 -4.122 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -10.458 2.323 -5.782 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.470 4.923 -7.056 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.791 3.311 -7.739 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -13.144 4.406 -7.369 1.00 0.98 H new ATOM 171 N THR A 12 -12.166 0.337 -4.631 1.00 0.46 N ATOM 172 CA THR A 12 -11.924 -0.665 -3.610 1.00 0.45 C ATOM 173 C THR A 12 -10.620 -0.397 -2.862 1.00 0.39 C ATOM 174 O THR A 12 -9.549 -0.327 -3.466 1.00 0.43 O ATOM 175 CB THR A 12 -11.865 -2.069 -4.238 1.00 0.55 C ATOM 176 OG1 THR A 12 -12.970 -2.247 -5.134 1.00 0.66 O ATOM 177 CG2 THR A 12 -11.903 -3.145 -3.166 1.00 0.62 C ATOM 0 H THR A 12 -11.702 0.149 -5.520 1.00 0.46 H new ATOM 0 HA THR A 12 -12.751 -0.613 -2.901 1.00 0.45 H new ATOM 0 HB THR A 12 -10.928 -2.159 -4.787 1.00 0.55 H new ATOM 0 HG1 THR A 12 -12.927 -3.141 -5.533 1.00 0.66 H new ATOM 0 HG21 THR A 12 -11.860 -4.128 -3.635 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.050 -3.024 -2.499 1.00 0.62 H new ATOM 0 HG23 THR A 12 -12.827 -3.056 -2.594 1.00 0.62 H new ATOM 185 N ILE A 13 -10.716 -0.235 -1.549 1.00 0.39 N ATOM 186 CA ILE A 13 -9.541 -0.088 -0.707 1.00 0.38 C ATOM 187 C ILE A 13 -9.155 -1.430 -0.116 1.00 0.37 C ATOM 188 O ILE A 13 -9.935 -2.064 0.598 1.00 0.51 O ATOM 189 CB ILE A 13 -9.764 0.920 0.440 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.100 2.299 -0.123 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.530 0.989 1.337 1.00 0.80 C ATOM 192 CD1 ILE A 13 -10.191 3.373 0.937 1.00 1.03 C ATOM 0 H ILE A 13 -11.602 -0.202 -1.044 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.741 0.293 -1.341 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.606 0.581 1.043 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.340 2.581 -0.852 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.049 2.244 -0.657 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.704 1.704 2.141 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.334 0.005 1.763 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.670 1.307 0.748 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -10.432 4.327 0.468 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -10.971 3.113 1.653 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -9.235 3.455 1.455 1.00 1.03 H new ATOM 204 N MET A 14 -7.950 -1.864 -0.421 1.00 0.31 N ATOM 205 CA MET A 14 -7.461 -3.147 0.030 1.00 0.35 C ATOM 206 C MET A 14 -6.104 -3.002 0.702 1.00 0.29 C ATOM 207 O MET A 14 -5.362 -2.075 0.413 1.00 0.46 O ATOM 208 CB MET A 14 -7.353 -4.091 -1.159 1.00 0.56 C ATOM 209 CG MET A 14 -8.678 -4.703 -1.583 1.00 0.75 C ATOM 210 SD MET A 14 -8.519 -5.781 -3.019 1.00 1.04 S ATOM 211 CE MET A 14 -10.181 -6.433 -3.135 1.00 0.77 C ATOM 0 H MET A 14 -7.284 -1.338 -0.987 1.00 0.31 H new ATOM 0 HA MET A 14 -8.161 -3.554 0.760 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.928 -3.548 -2.003 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.657 -4.892 -0.912 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.093 -5.272 -0.751 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.386 -3.906 -1.809 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.145 -7.522 -3.143 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.765 -6.096 -2.278 1.00 0.77 H new ATOM 0 HE3 MET A 14 -10.648 -6.078 -4.054 1.00 0.77 H new ATOM 221 N GLY A 15 -5.797 -3.898 1.621 1.00 0.34 N ATOM 222 CA GLY A 15 -4.490 -3.936 2.210 1.00 0.45 C ATOM 223 C GLY A 15 -4.482 -4.850 3.399 1.00 0.62 C ATOM 224 O GLY A 15 -4.707 -6.046 3.276 1.00 1.55 O ATOM 0 H GLY A 15 -6.442 -4.606 1.970 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.762 -4.278 1.475 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.190 -2.932 2.512 1.00 0.45 H new ATOM 228 N HIS A 16 -4.281 -4.264 4.548 1.00 0.51 N ATOM 229 CA HIS A 16 -4.267 -4.985 5.802 1.00 0.45 C ATOM 230 C HIS A 16 -4.458 -3.998 6.946 1.00 0.49 C ATOM 231 O HIS A 16 -4.034 -2.844 6.839 1.00 0.64 O ATOM 232 CB HIS A 16 -2.956 -5.763 5.960 1.00 0.43 C ATOM 233 CG HIS A 16 -2.825 -6.468 7.276 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.559 -7.590 7.558 1.00 0.62 N ATOM 235 CD2 HIS A 16 -2.075 -6.152 8.354 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.245 -7.929 8.792 1.00 0.66 C ATOM 237 NE2 HIS A 16 -2.354 -7.084 9.321 1.00 0.59 N ATOM 0 H HIS A 16 -4.120 -3.262 4.646 1.00 0.51 H new ATOM 0 HA HIS A 16 -5.082 -5.708 5.816 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.880 -6.496 5.157 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.119 -5.074 5.843 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.387 -5.324 8.438 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -3.656 -8.782 9.311 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.959 -7.125 10.260 1.00 0.59 H new ATOM 245 N VAL A 17 -5.113 -4.421 8.015 1.00 0.53 N ATOM 246 CA VAL A 17 -5.463 -3.509 9.101 1.00 0.67 C ATOM 247 C VAL A 17 -4.236 -2.800 9.695 1.00 0.64 C ATOM 248 O VAL A 17 -4.208 -1.565 9.762 1.00 0.78 O ATOM 249 CB VAL A 17 -6.255 -4.228 10.221 1.00 0.87 C ATOM 250 CG1 VAL A 17 -7.659 -4.571 9.743 1.00 1.55 C ATOM 251 CG2 VAL A 17 -5.537 -5.488 10.687 1.00 1.62 C ATOM 0 H VAL A 17 -5.414 -5.385 8.157 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.103 -2.747 8.656 1.00 0.67 H new ATOM 0 HB VAL A 17 -6.325 -3.546 11.069 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -8.202 -5.076 10.542 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -8.184 -3.656 9.469 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -7.598 -5.227 8.875 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -6.119 -5.969 11.473 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -5.425 -6.174 9.848 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -4.553 -5.224 11.074 1.00 1.62 H new ATOM 261 N ASP A 18 -3.218 -3.578 10.060 1.00 0.57 N ATOM 262 CA ASP A 18 -2.050 -3.076 10.791 1.00 0.61 C ATOM 263 C ASP A 18 -1.279 -2.015 10.015 1.00 0.56 C ATOM 264 O ASP A 18 -0.648 -1.143 10.610 1.00 0.69 O ATOM 265 CB ASP A 18 -1.106 -4.229 11.140 1.00 0.69 C ATOM 266 CG ASP A 18 -1.680 -5.159 12.189 1.00 1.06 C ATOM 267 OD1 ASP A 18 -2.385 -6.122 11.820 1.00 1.78 O ATOM 268 OD2 ASP A 18 -1.426 -4.933 13.387 1.00 1.17 O ATOM 0 H ASP A 18 -3.178 -4.577 9.858 1.00 0.57 H new ATOM 0 HA ASP A 18 -2.430 -2.610 11.700 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -0.886 -4.799 10.237 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -0.160 -3.823 11.499 1.00 0.69 H new ATOM 273 N HIS A 19 -1.333 -2.072 8.688 1.00 0.46 N ATOM 274 CA HIS A 19 -0.607 -1.115 7.864 1.00 0.48 C ATOM 275 C HIS A 19 -1.179 0.287 8.032 1.00 0.58 C ATOM 276 O HIS A 19 -0.507 1.282 7.754 1.00 0.65 O ATOM 277 CB HIS A 19 -0.642 -1.533 6.395 1.00 0.46 C ATOM 278 CG HIS A 19 0.238 -2.704 6.095 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.135 -3.674 5.201 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.464 -3.003 6.587 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.864 -4.536 5.167 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.856 -4.172 5.991 1.00 0.48 N ATOM 0 H HIS A 19 -1.868 -2.765 8.165 1.00 0.46 H new ATOM 0 HA HIS A 19 0.432 -1.103 8.195 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.668 -1.777 6.118 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.337 -0.689 5.776 1.00 0.46 H new ATOM 0 HD1 HIS A 19 -1.005 -3.720 4.671 1.00 0.60 H new ATOM 0 HD2 HIS A 19 2.025 -2.430 7.310 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.880 -5.424 4.552 1.00 0.53 H new ATOM 290 N GLY A 20 -2.403 0.362 8.531 1.00 0.76 N ATOM 291 CA GLY A 20 -3.039 1.646 8.736 1.00 0.90 C ATOM 292 C GLY A 20 -4.269 1.816 7.877 1.00 0.81 C ATOM 293 O GLY A 20 -4.577 2.919 7.442 1.00 0.93 O ATOM 0 H GLY A 20 -2.968 -0.444 8.798 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.314 1.750 9.786 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.328 2.442 8.512 1.00 0.90 H new ATOM 297 N LYS A 21 -4.982 0.722 7.648 1.00 0.79 N ATOM 298 CA LYS A 21 -6.160 0.739 6.787 1.00 0.87 C ATOM 299 C LYS A 21 -7.321 1.435 7.483 1.00 0.89 C ATOM 300 O LYS A 21 -7.972 2.310 6.916 1.00 0.93 O ATOM 301 CB LYS A 21 -6.566 -0.689 6.440 1.00 1.09 C ATOM 302 CG LYS A 21 -7.653 -0.783 5.379 1.00 1.20 C ATOM 303 CD LYS A 21 -8.093 -2.224 5.152 1.00 1.39 C ATOM 304 CE LYS A 21 -8.758 -2.808 6.389 1.00 1.73 C ATOM 305 NZ LYS A 21 -10.018 -2.096 6.732 1.00 2.11 N ATOM 0 H LYS A 21 -4.766 -0.192 8.047 1.00 0.79 H new ATOM 0 HA LYS A 21 -5.914 1.285 5.876 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -5.687 -1.232 6.094 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -6.912 -1.188 7.345 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -8.511 -0.184 5.683 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -7.286 -0.362 4.443 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.786 -2.265 4.312 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.229 -2.831 4.882 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -8.972 -3.864 6.222 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -8.069 -2.752 7.232 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -10.550 -2.650 7.434 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -9.792 -1.161 7.128 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -10.595 -1.979 5.875 1.00 2.11 H new ATOM 319 N THR A 22 -7.571 1.038 8.721 1.00 0.92 N ATOM 320 CA THR A 22 -8.655 1.612 9.501 1.00 1.00 C ATOM 321 C THR A 22 -8.364 3.081 9.801 1.00 0.99 C ATOM 322 O THR A 22 -9.259 3.929 9.773 1.00 1.03 O ATOM 323 CB THR A 22 -8.878 0.812 10.809 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.932 1.393 11.582 1.00 1.80 O ATOM 325 CG2 THR A 22 -7.605 0.743 11.644 1.00 1.65 C ATOM 0 H THR A 22 -7.036 0.319 9.208 1.00 0.92 H new ATOM 0 HA THR A 22 -9.573 1.553 8.917 1.00 1.00 H new ATOM 0 HB THR A 22 -9.158 -0.203 10.527 1.00 1.10 H new ATOM 0 HG1 THR A 22 -10.060 0.874 12.403 1.00 1.80 H new ATOM 0 HG21 THR A 22 -7.797 0.175 12.554 1.00 1.65 H new ATOM 0 HG22 THR A 22 -6.819 0.253 11.069 1.00 1.65 H new ATOM 0 HG23 THR A 22 -7.287 1.752 11.907 1.00 1.65 H new ATOM 333 N THR A 23 -7.093 3.380 10.045 1.00 0.99 N ATOM 334 CA THR A 23 -6.659 4.746 10.270 1.00 1.02 C ATOM 335 C THR A 23 -6.722 5.546 8.971 1.00 0.96 C ATOM 336 O THR A 23 -6.942 6.756 8.991 1.00 0.96 O ATOM 337 CB THR A 23 -5.228 4.783 10.841 1.00 1.12 C ATOM 338 OG1 THR A 23 -5.172 4.006 12.044 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.783 6.208 11.141 1.00 1.41 C ATOM 0 H THR A 23 -6.345 2.688 10.091 1.00 0.99 H new ATOM 0 HA THR A 23 -7.333 5.197 10.998 1.00 1.02 H new ATOM 0 HB THR A 23 -4.555 4.367 10.091 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.262 4.028 12.406 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.770 6.196 11.542 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.803 6.796 10.224 1.00 1.41 H new ATOM 0 HG23 THR A 23 -5.457 6.653 11.872 1.00 1.41 H new ATOM 347 N LEU A 24 -6.550 4.862 7.843 1.00 0.96 N ATOM 348 CA LEU A 24 -6.655 5.509 6.541 1.00 0.96 C ATOM 349 C LEU A 24 -8.070 6.030 6.347 1.00 0.89 C ATOM 350 O LEU A 24 -8.271 7.189 6.006 1.00 0.91 O ATOM 351 CB LEU A 24 -6.296 4.529 5.419 1.00 1.06 C ATOM 352 CG LEU A 24 -6.234 5.134 4.015 1.00 0.88 C ATOM 353 CD1 LEU A 24 -5.110 6.155 3.924 1.00 1.78 C ATOM 354 CD2 LEU A 24 -6.049 4.041 2.975 1.00 1.57 C ATOM 0 H LEU A 24 -6.338 3.865 7.805 1.00 0.96 H new ATOM 0 HA LEU A 24 -5.953 6.342 6.503 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.329 4.081 5.646 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.028 3.722 5.416 1.00 1.06 H new ATOM 0 HG LEU A 24 -7.177 5.644 3.815 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -5.081 6.575 2.919 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -5.284 6.953 4.646 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -4.159 5.669 4.142 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -6.007 4.487 1.982 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -5.120 3.505 3.172 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -6.887 3.346 3.025 1.00 1.57 H new ATOM 366 N LEU A 25 -9.037 5.162 6.611 1.00 0.88 N ATOM 367 CA LEU A 25 -10.453 5.498 6.488 1.00 0.91 C ATOM 368 C LEU A 25 -10.811 6.655 7.417 1.00 0.89 C ATOM 369 O LEU A 25 -11.512 7.587 7.036 1.00 0.92 O ATOM 370 CB LEU A 25 -11.292 4.263 6.851 1.00 1.02 C ATOM 371 CG LEU A 25 -12.787 4.320 6.504 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.345 2.916 6.306 1.00 1.76 C ATOM 373 CD2 LEU A 25 -13.572 5.032 7.594 1.00 1.96 C ATOM 0 H LEU A 25 -8.864 4.204 6.917 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.662 5.802 5.462 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -10.859 3.398 6.349 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.198 4.090 7.923 1.00 1.02 H new ATOM 0 HG LEU A 25 -12.891 4.880 5.575 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.405 2.977 6.061 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -12.812 2.424 5.492 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -13.217 2.341 7.223 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.628 5.059 7.324 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -13.452 4.498 8.537 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -13.200 6.051 7.704 1.00 1.96 H new ATOM 385 N ASP A 26 -10.343 6.578 8.649 1.00 0.91 N ATOM 386 CA ASP A 26 -10.639 7.621 9.626 1.00 0.96 C ATOM 387 C ASP A 26 -9.996 8.952 9.250 1.00 0.92 C ATOM 388 O ASP A 26 -10.658 9.986 9.267 1.00 0.95 O ATOM 389 CB ASP A 26 -10.205 7.223 11.022 1.00 1.05 C ATOM 390 CG ASP A 26 -10.605 8.260 12.058 1.00 1.21 C ATOM 391 OD1 ASP A 26 -9.820 9.197 12.312 1.00 1.38 O ATOM 392 OD2 ASP A 26 -11.717 8.150 12.615 1.00 1.35 O ATOM 0 H ASP A 26 -9.763 5.816 8.999 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.722 7.745 9.620 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.650 6.262 11.280 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -9.123 7.089 11.041 1.00 1.05 H new ATOM 397 N ALA A 27 -8.712 8.929 8.911 1.00 0.89 N ATOM 398 CA ALA A 27 -8.002 10.141 8.509 1.00 0.89 C ATOM 399 C ALA A 27 -8.614 10.730 7.255 1.00 0.85 C ATOM 400 O ALA A 27 -8.806 11.937 7.150 1.00 0.90 O ATOM 401 CB ALA A 27 -6.535 9.845 8.258 1.00 0.91 C ATOM 0 H ALA A 27 -8.140 8.085 8.906 1.00 0.89 H new ATOM 0 HA ALA A 27 -8.089 10.861 9.323 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -6.025 10.761 7.960 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -6.081 9.457 9.170 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.444 9.104 7.464 1.00 0.91 H new ATOM 407 N ILE A 28 -8.924 9.858 6.313 1.00 0.82 N ATOM 408 CA ILE A 28 -9.449 10.262 5.024 1.00 0.83 C ATOM 409 C ILE A 28 -10.843 10.880 5.175 1.00 0.88 C ATOM 410 O ILE A 28 -11.191 11.824 4.467 1.00 0.94 O ATOM 411 CB ILE A 28 -9.479 9.049 4.069 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.437 9.469 2.612 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.702 8.189 4.305 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.323 8.277 1.698 1.00 0.95 C ATOM 0 H ILE A 28 -8.818 8.849 6.421 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.796 11.024 4.598 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.584 8.467 4.288 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.338 10.031 2.368 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.591 10.137 2.449 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -10.691 7.344 3.616 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -10.695 7.821 5.331 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.601 8.782 4.138 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.295 8.614 0.662 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.408 7.730 1.926 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.183 7.623 1.844 1.00 0.95 H new ATOM 426 N ARG A 29 -11.622 10.369 6.122 1.00 0.93 N ATOM 427 CA ARG A 29 -12.946 10.906 6.393 1.00 1.04 C ATOM 428 C ARG A 29 -12.808 12.180 7.213 1.00 1.08 C ATOM 429 O ARG A 29 -13.529 13.154 7.017 1.00 1.17 O ATOM 430 CB ARG A 29 -13.808 9.856 7.107 1.00 1.16 C ATOM 431 CG ARG A 29 -13.551 9.681 8.594 1.00 1.33 C ATOM 432 CD ARG A 29 -14.356 8.510 9.136 1.00 1.58 C ATOM 433 NE ARG A 29 -13.922 8.086 10.467 1.00 2.13 N ATOM 434 CZ ARG A 29 -14.447 7.050 11.124 1.00 2.85 C ATOM 435 NH1 ARG A 29 -15.422 6.332 10.582 1.00 3.29 N ATOM 436 NH2 ARG A 29 -13.975 6.720 12.316 1.00 3.56 N ATOM 0 H ARG A 29 -11.357 9.582 6.715 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.449 11.153 5.458 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -14.856 10.121 6.969 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -13.655 8.895 6.617 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -12.488 9.512 8.769 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.820 10.593 9.126 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.409 8.787 9.174 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -14.273 7.669 8.448 1.00 1.58 H new ATOM 0 HE ARG A 29 -13.175 8.613 10.919 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -15.776 6.570 9.656 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -15.817 5.542 11.092 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -13.213 7.257 12.729 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -14.374 5.929 12.821 1.00 3.56 H new ATOM 450 N HIS A 30 -11.827 12.165 8.101 1.00 1.05 N ATOM 451 CA HIS A 30 -11.464 13.343 8.889 1.00 1.13 C ATOM 452 C HIS A 30 -10.676 14.355 8.057 1.00 1.15 C ATOM 453 O HIS A 30 -10.058 15.266 8.599 1.00 1.32 O ATOM 454 CB HIS A 30 -10.653 12.948 10.116 1.00 1.23 C ATOM 455 CG HIS A 30 -11.464 12.613 11.311 1.00 1.70 C ATOM 456 ND1 HIS A 30 -11.309 11.465 12.056 1.00 2.44 N ATOM 457 CD2 HIS A 30 -12.431 13.312 11.897 1.00 2.01 C ATOM 458 CE1 HIS A 30 -12.161 11.485 13.063 1.00 2.88 C ATOM 459 NE2 HIS A 30 -12.859 12.602 12.994 1.00 2.60 N ATOM 0 H HIS A 30 -11.259 11.341 8.299 1.00 1.05 H new ATOM 0 HA HIS A 30 -12.394 13.811 9.211 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -10.031 12.089 9.863 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -9.979 13.767 10.369 1.00 1.23 H new ATOM 0 HD1 HIS A 30 -10.642 10.719 11.860 1.00 2.44 H new ATOM 0 HD2 HIS A 30 -12.813 14.268 11.570 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -12.269 10.718 13.815 1.00 2.88 H new ATOM 468 N SER A 31 -10.694 14.185 6.739 1.00 1.07 N ATOM 469 CA SER A 31 -10.034 15.110 5.841 1.00 1.19 C ATOM 470 C SER A 31 -11.059 16.088 5.280 1.00 1.32 C ATOM 471 O SER A 31 -10.793 16.794 4.311 1.00 1.76 O ATOM 472 CB SER A 31 -9.298 14.352 4.726 1.00 1.15 C ATOM 473 OG SER A 31 -8.219 13.604 5.254 1.00 1.50 O ATOM 0 H SER A 31 -11.163 13.409 6.272 1.00 1.07 H new ATOM 0 HA SER A 31 -9.282 15.678 6.390 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.992 13.686 4.214 1.00 1.15 H new ATOM 0 HB3 SER A 31 -8.928 15.058 3.983 1.00 1.15 H new ATOM 0 HG SER A 31 -8.559 12.954 5.904 1.00 1.50 H new ATOM 706 N TYR A 48 -17.802 5.671 2.330 1.00 1.05 N ATOM 707 CA TYR A 48 -17.751 7.120 2.261 1.00 1.04 C ATOM 708 C TYR A 48 -17.352 7.570 0.863 1.00 0.91 C ATOM 709 O TYR A 48 -16.767 6.800 0.099 1.00 0.86 O ATOM 710 CB TYR A 48 -16.744 7.644 3.284 1.00 1.16 C ATOM 711 CG TYR A 48 -15.427 6.904 3.268 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.335 5.620 3.779 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.283 7.482 2.748 1.00 1.31 C ATOM 714 CE1 TYR A 48 -14.147 4.932 3.771 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.084 6.802 2.739 1.00 1.73 C ATOM 716 CZ TYR A 48 -13.019 5.527 3.256 1.00 1.96 C ATOM 717 OH TYR A 48 -11.823 4.847 3.256 1.00 2.54 O ATOM 0 HA TYR A 48 -18.739 7.521 2.486 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -16.560 8.701 3.092 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.180 7.572 4.280 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -16.216 5.151 4.192 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -14.330 8.482 2.343 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -14.098 3.928 4.167 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.200 7.267 2.329 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.192 5.294 2.654 1.00 2.54 H new ATOM 727 N GLN A 49 -17.671 8.813 0.528 1.00 1.01 N ATOM 728 CA GLN A 49 -17.292 9.377 -0.760 1.00 1.00 C ATOM 729 C GLN A 49 -16.520 10.674 -0.558 1.00 1.11 C ATOM 730 O GLN A 49 -16.883 11.495 0.286 1.00 1.34 O ATOM 731 CB GLN A 49 -18.527 9.641 -1.620 1.00 1.16 C ATOM 732 CG GLN A 49 -19.355 8.399 -1.900 1.00 1.18 C ATOM 733 CD GLN A 49 -20.529 8.680 -2.816 1.00 1.42 C ATOM 734 OE1 GLN A 49 -20.416 8.570 -4.036 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.659 9.053 -2.236 1.00 1.96 N ATOM 0 H GLN A 49 -18.192 9.450 1.131 1.00 1.01 H new ATOM 0 HA GLN A 49 -16.656 8.656 -1.274 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -19.154 10.380 -1.121 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.212 10.078 -2.568 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -18.720 7.637 -2.352 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -19.722 7.991 -0.958 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.709 9.131 -1.220 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.479 9.262 -2.805 1.00 1.96 H new ATOM 744 N VAL A 50 -15.448 10.847 -1.317 1.00 1.04 N ATOM 745 CA VAL A 50 -14.649 12.053 -1.235 1.00 1.18 C ATOM 746 C VAL A 50 -15.096 13.085 -2.255 1.00 1.28 C ATOM 747 O VAL A 50 -15.515 12.746 -3.362 1.00 1.38 O ATOM 748 CB VAL A 50 -13.156 11.764 -1.455 1.00 1.24 C ATOM 749 CG1 VAL A 50 -12.549 11.114 -0.229 1.00 1.93 C ATOM 750 CG2 VAL A 50 -12.946 10.902 -2.689 1.00 1.59 C ATOM 0 H VAL A 50 -15.114 10.164 -1.997 1.00 1.04 H new ATOM 0 HA VAL A 50 -14.794 12.446 -0.229 1.00 1.18 H new ATOM 0 HB VAL A 50 -12.647 12.714 -1.620 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -11.492 10.918 -0.407 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -12.656 11.781 0.627 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -13.062 10.175 -0.023 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -11.881 10.712 -2.823 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -13.471 9.955 -2.565 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.335 11.420 -3.565 1.00 1.59 H new ATOM 860 N ILE A 57 -15.618 9.530 -5.455 1.00 1.14 N ATOM 861 CA ILE A 57 -15.013 8.224 -5.252 1.00 0.88 C ATOM 862 C ILE A 57 -15.652 7.525 -4.059 1.00 0.85 C ATOM 863 O ILE A 57 -15.423 7.905 -2.908 1.00 0.97 O ATOM 864 CB ILE A 57 -13.492 8.340 -5.015 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.841 9.208 -6.097 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.857 6.956 -4.996 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.389 9.544 -5.818 1.00 0.86 C ATOM 0 HA ILE A 57 -15.183 7.640 -6.157 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.328 8.816 -4.048 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.907 8.690 -7.054 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.407 10.135 -6.196 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.784 7.050 -4.828 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.299 6.364 -4.195 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -13.033 6.462 -5.952 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.996 10.160 -6.627 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.316 10.090 -4.877 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.809 8.624 -5.749 1.00 0.86 H new ATOM 879 N THR A 58 -16.466 6.524 -4.341 1.00 0.80 N ATOM 880 CA THR A 58 -17.109 5.746 -3.299 1.00 0.80 C ATOM 881 C THR A 58 -16.133 4.703 -2.765 1.00 0.73 C ATOM 882 O THR A 58 -15.919 3.670 -3.393 1.00 0.85 O ATOM 883 CB THR A 58 -18.366 5.039 -3.837 1.00 0.88 C ATOM 884 OG1 THR A 58 -19.119 5.936 -4.666 1.00 1.11 O ATOM 885 CG2 THR A 58 -19.242 4.549 -2.693 1.00 1.28 C ATOM 0 H THR A 58 -16.698 6.230 -5.290 1.00 0.80 H new ATOM 0 HA THR A 58 -17.406 6.423 -2.498 1.00 0.80 H new ATOM 0 HB THR A 58 -18.046 4.180 -4.427 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.318 6.755 -4.165 1.00 1.11 H new ATOM 0 HG21 THR A 58 -20.124 4.053 -3.097 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.679 3.846 -2.079 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.551 5.397 -2.082 1.00 1.28 H new ATOM 893 N PHE A 59 -15.532 4.977 -1.622 1.00 0.65 N ATOM 894 CA PHE A 59 -14.509 4.095 -1.081 1.00 0.64 C ATOM 895 C PHE A 59 -15.113 2.885 -0.376 1.00 0.73 C ATOM 896 O PHE A 59 -15.856 3.023 0.597 1.00 0.83 O ATOM 897 CB PHE A 59 -13.589 4.854 -0.129 1.00 0.64 C ATOM 898 CG PHE A 59 -12.656 5.803 -0.823 1.00 0.60 C ATOM 899 CD1 PHE A 59 -11.621 5.320 -1.605 1.00 0.75 C ATOM 900 CD2 PHE A 59 -12.806 7.171 -0.685 1.00 0.80 C ATOM 901 CE1 PHE A 59 -10.752 6.186 -2.236 1.00 0.79 C ATOM 902 CE2 PHE A 59 -11.940 8.041 -1.317 1.00 0.84 C ATOM 903 CZ PHE A 59 -10.913 7.548 -2.093 1.00 0.70 C ATOM 0 H PHE A 59 -15.732 5.798 -1.051 1.00 0.65 H new ATOM 0 HA PHE A 59 -13.923 3.729 -1.924 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.197 5.412 0.583 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.003 4.137 0.445 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -11.492 4.254 -1.722 1.00 0.75 H new ATOM 0 HD2 PHE A 59 -13.608 7.562 -0.077 1.00 0.80 H new ATOM 0 HE1 PHE A 59 -9.946 5.798 -2.841 1.00 0.79 H new ATOM 0 HE2 PHE A 59 -12.067 9.107 -1.203 1.00 0.84 H new ATOM 0 HZ PHE A 59 -10.235 8.228 -2.588 1.00 0.70 H new ATOM 1221 N ILE A 81 -10.729 -0.412 -9.401 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.681 0.412 -8.833 1.00 0.55 C ATOM 1223 C ILE A 81 -9.337 -0.098 -7.451 1.00 0.47 C ATOM 1224 O ILE A 81 -10.105 0.084 -6.506 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.094 1.898 -8.750 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.340 2.449 -10.150 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -9.017 2.719 -8.046 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.093 2.453 -10.997 1.00 0.73 C ATOM 0 HA ILE A 81 -8.812 0.348 -9.488 1.00 0.55 H new ATOM 0 HB ILE A 81 -11.015 1.969 -8.171 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.108 1.852 -10.642 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.727 3.465 -10.074 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -9.328 3.763 -7.998 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.871 2.337 -7.035 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.082 2.644 -8.601 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.324 2.855 -11.983 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.332 3.073 -10.522 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.719 1.434 -11.099 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.204 -0.767 -7.342 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.798 -1.365 -6.093 1.00 0.30 C ATOM 1242 C VAL A 82 -6.660 -0.593 -5.454 1.00 0.25 C ATOM 1243 O VAL A 82 -5.525 -0.670 -5.907 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.346 -2.811 -6.315 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.815 -3.400 -5.030 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.496 -3.645 -6.855 1.00 1.19 C ATOM 0 H VAL A 82 -7.548 -0.908 -8.111 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.661 -1.341 -5.428 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.542 -2.817 -7.051 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.498 -4.428 -5.205 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -5.965 -2.812 -4.684 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.598 -3.386 -4.272 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.161 -4.671 -7.008 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.319 -3.635 -6.141 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.834 -3.228 -7.804 1.00 1.19 H new ATOM 1256 N ILE A 83 -6.962 0.147 -4.406 1.00 0.25 N ATOM 1257 CA ILE A 83 -5.920 0.833 -3.666 1.00 0.25 C ATOM 1258 C ILE A 83 -5.377 -0.091 -2.612 1.00 0.27 C ATOM 1259 O ILE A 83 -6.041 -0.374 -1.622 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.405 2.119 -2.970 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.848 2.422 -3.349 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.493 3.288 -3.310 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -8.333 3.770 -2.863 1.00 1.32 C ATOM 0 H ILE A 83 -7.907 0.288 -4.050 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.160 1.119 -4.393 1.00 0.25 H new ATOM 0 HB ILE A 83 -6.366 1.964 -1.892 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -7.946 2.380 -4.434 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.493 1.644 -2.940 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -5.852 4.187 -2.809 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -4.479 3.067 -2.977 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.494 3.448 -4.388 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.369 3.916 -3.170 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -8.268 3.810 -1.776 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -7.713 4.556 -3.293 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.181 -0.556 -2.843 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.555 -1.524 -1.956 1.00 0.27 C ATOM 1277 C LEU A 84 -2.631 -0.807 -0.971 1.00 0.27 C ATOM 1278 O LEU A 84 -1.633 -0.208 -1.360 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.812 -2.573 -2.802 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.129 -3.713 -2.051 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -0.785 -3.266 -1.511 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -3.023 -4.226 -0.938 1.00 1.33 C ATOM 0 H LEU A 84 -3.608 -0.284 -3.642 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.309 -2.044 -1.364 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.524 -3.008 -3.503 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.056 -2.057 -3.394 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.954 -4.533 -2.748 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.314 -4.092 -0.979 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -0.146 -2.955 -2.337 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -0.928 -2.429 -0.828 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.521 -5.038 -0.413 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.233 -3.417 -0.238 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -3.958 -4.592 -1.362 1.00 1.33 H new ATOM 1294 N VAL A 85 -2.974 -0.859 0.305 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.214 -0.151 1.323 1.00 0.28 C ATOM 1296 C VAL A 85 -1.065 -1.006 1.854 1.00 0.27 C ATOM 1297 O VAL A 85 -1.193 -2.222 2.016 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.115 0.309 2.496 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.558 -0.862 3.359 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.412 1.370 3.336 1.00 1.20 C ATOM 0 H VAL A 85 -3.773 -1.383 0.661 1.00 0.28 H new ATOM 0 HA VAL A 85 -1.798 0.735 0.844 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.012 0.753 2.065 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.188 -0.498 4.171 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.122 -1.569 2.751 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.682 -1.359 3.775 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.064 1.678 4.154 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.489 0.959 3.743 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.180 2.233 2.712 1.00 1.20 H new ATOM 1310 N VAL A 86 0.059 -0.352 2.098 1.00 0.25 N ATOM 1311 CA VAL A 86 1.226 -0.978 2.694 1.00 0.27 C ATOM 1312 C VAL A 86 1.823 -0.021 3.714 1.00 0.24 C ATOM 1313 O VAL A 86 1.227 1.006 4.029 1.00 0.26 O ATOM 1314 CB VAL A 86 2.309 -1.333 1.644 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.811 -2.396 0.680 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.757 -0.096 0.883 1.00 0.95 C ATOM 0 H VAL A 86 0.187 0.637 1.886 1.00 0.25 H new ATOM 0 HA VAL A 86 0.904 -1.909 3.161 1.00 0.27 H new ATOM 0 HB VAL A 86 3.168 -1.736 2.181 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.592 -2.624 -0.045 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.555 -3.299 1.234 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.928 -2.028 0.158 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.517 -0.374 0.153 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.903 0.344 0.368 1.00 0.95 H new ATOM 0 HG23 VAL A 86 3.173 0.630 1.581 1.00 0.95 H new ATOM 1326 N ALA A 87 2.992 -0.346 4.225 1.00 0.28 N ATOM 1327 CA ALA A 87 3.668 0.540 5.150 1.00 0.32 C ATOM 1328 C ALA A 87 5.169 0.476 4.947 1.00 0.46 C ATOM 1329 O ALA A 87 5.733 -0.609 4.769 1.00 0.75 O ATOM 1330 CB ALA A 87 3.297 0.199 6.582 1.00 0.42 C ATOM 0 H ALA A 87 3.491 -1.211 4.018 1.00 0.28 H new ATOM 0 HA ALA A 87 3.344 1.562 4.952 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.814 0.875 7.263 1.00 0.42 H new ATOM 0 HB2 ALA A 87 2.220 0.305 6.714 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.590 -0.828 6.799 1.00 0.42 H new ATOM 1336 N ALA A 88 5.806 1.640 4.963 1.00 0.37 N ATOM 1337 CA ALA A 88 7.255 1.738 4.783 1.00 0.59 C ATOM 1338 C ALA A 88 7.996 1.307 6.038 1.00 0.53 C ATOM 1339 O ALA A 88 8.772 2.067 6.627 1.00 1.14 O ATOM 1340 CB ALA A 88 7.650 3.142 4.404 1.00 1.18 C ATOM 0 H ALA A 88 5.341 2.537 5.100 1.00 0.37 H new ATOM 0 HA ALA A 88 7.534 1.063 3.974 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.731 3.194 4.275 1.00 1.18 H new ATOM 0 HB2 ALA A 88 7.160 3.419 3.471 1.00 1.18 H new ATOM 0 HB3 ALA A 88 7.345 3.831 5.192 1.00 1.18 H new ATOM 1346 N ASP A 89 7.749 0.073 6.413 1.00 0.56 N ATOM 1347 CA ASP A 89 8.307 -0.529 7.613 1.00 0.93 C ATOM 1348 C ASP A 89 7.964 -2.012 7.649 1.00 0.85 C ATOM 1349 O ASP A 89 8.728 -2.825 8.172 1.00 1.24 O ATOM 1350 CB ASP A 89 7.786 0.166 8.881 1.00 1.44 C ATOM 1351 CG ASP A 89 6.282 0.369 8.878 1.00 1.68 C ATOM 1352 OD1 ASP A 89 5.542 -0.584 9.197 1.00 2.01 O ATOM 1353 OD2 ASP A 89 5.839 1.493 8.554 1.00 1.90 O ATOM 0 H ASP A 89 7.144 -0.557 5.886 1.00 0.56 H new ATOM 0 HA ASP A 89 9.390 -0.406 7.586 1.00 0.93 H new ATOM 0 HB2 ASP A 89 8.064 -0.427 9.752 1.00 1.44 H new ATOM 0 HB3 ASP A 89 8.276 1.134 8.984 1.00 1.44 H new ATOM 1358 N ASP A 90 6.817 -2.364 7.081 1.00 0.48 N ATOM 1359 CA ASP A 90 6.406 -3.761 7.028 1.00 0.46 C ATOM 1360 C ASP A 90 6.492 -4.301 5.608 1.00 0.45 C ATOM 1361 O ASP A 90 7.118 -5.331 5.356 1.00 0.69 O ATOM 1362 CB ASP A 90 4.976 -3.939 7.545 1.00 0.52 C ATOM 1363 CG ASP A 90 4.686 -5.376 7.906 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.967 -5.777 9.055 1.00 0.93 O ATOM 1365 OD2 ASP A 90 4.190 -6.109 7.036 1.00 1.09 O ATOM 0 H ASP A 90 6.161 -1.709 6.655 1.00 0.48 H new ATOM 0 HA ASP A 90 7.088 -4.320 7.669 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.824 -3.307 8.420 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.270 -3.606 6.784 1.00 0.52 H new ATOM 1370 N GLY A 91 5.867 -3.592 4.685 1.00 0.36 N ATOM 1371 CA GLY A 91 5.783 -4.053 3.315 1.00 0.36 C ATOM 1372 C GLY A 91 4.421 -4.634 3.006 1.00 0.35 C ATOM 1373 O GLY A 91 3.422 -3.919 3.028 1.00 0.52 O ATOM 0 H GLY A 91 5.412 -2.696 4.861 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.988 -3.223 2.638 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.550 -4.807 3.136 1.00 0.36 H new ATOM 1377 N VAL A 92 4.379 -5.931 2.754 1.00 0.38 N ATOM 1378 CA VAL A 92 3.169 -6.603 2.341 1.00 0.37 C ATOM 1379 C VAL A 92 2.863 -7.791 3.258 1.00 0.36 C ATOM 1380 O VAL A 92 3.604 -8.776 3.289 1.00 0.47 O ATOM 1381 CB VAL A 92 3.338 -7.089 0.891 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.246 -8.060 0.527 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.354 -5.915 -0.072 1.00 1.06 C ATOM 0 H VAL A 92 5.189 -6.546 2.832 1.00 0.38 H new ATOM 0 HA VAL A 92 2.335 -5.904 2.405 1.00 0.37 H new ATOM 0 HB VAL A 92 4.295 -7.605 0.814 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.383 -8.392 -0.502 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.287 -8.921 1.195 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.277 -7.571 0.625 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.474 -6.282 -1.091 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.416 -5.366 0.008 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.184 -5.253 0.175 1.00 1.06 H new ATOM 1393 N MET A 93 1.787 -7.680 4.025 1.00 0.29 N ATOM 1394 CA MET A 93 1.322 -8.780 4.867 1.00 0.31 C ATOM 1395 C MET A 93 0.366 -9.688 4.083 1.00 0.31 C ATOM 1396 O MET A 93 0.007 -9.363 2.954 1.00 0.31 O ATOM 1397 CB MET A 93 0.653 -8.220 6.121 1.00 0.36 C ATOM 1398 CG MET A 93 1.629 -7.502 7.032 1.00 0.67 C ATOM 1399 SD MET A 93 0.937 -7.129 8.649 1.00 1.32 S ATOM 1400 CE MET A 93 0.542 -8.784 9.195 1.00 0.65 C ATOM 0 H MET A 93 1.216 -6.837 4.083 1.00 0.29 H new ATOM 0 HA MET A 93 2.175 -9.386 5.173 1.00 0.31 H new ATOM 0 HB2 MET A 93 -0.139 -7.531 5.829 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.181 -9.034 6.671 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.520 -8.117 7.157 1.00 0.67 H new ATOM 0 HG3 MET A 93 1.946 -6.574 6.556 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.580 -8.827 10.283 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.459 -9.050 8.856 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.264 -9.486 8.779 1.00 0.65 H new ATOM 1410 N PRO A 94 -0.036 -10.852 4.643 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.942 -11.797 3.961 1.00 0.42 C ATOM 1412 C PRO A 94 -2.170 -11.140 3.330 1.00 0.39 C ATOM 1413 O PRO A 94 -2.485 -11.406 2.174 1.00 0.42 O ATOM 1414 CB PRO A 94 -1.357 -12.744 5.082 1.00 0.52 C ATOM 1415 CG PRO A 94 -0.193 -12.755 6.008 1.00 0.61 C ATOM 1416 CD PRO A 94 0.381 -11.365 5.967 1.00 0.46 C ATOM 0 HA PRO A 94 -0.446 -12.279 3.118 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -2.260 -12.395 5.583 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -1.570 -13.742 4.700 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -0.501 -13.020 7.019 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.547 -13.492 5.696 1.00 0.61 H new ATOM 0 HD2 PRO A 94 -0.008 -10.747 6.776 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.466 -11.377 6.068 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.863 -10.294 4.081 1.00 0.40 N ATOM 1425 CA GLN A 95 -4.025 -9.602 3.551 1.00 0.43 C ATOM 1426 C GLN A 95 -3.637 -8.704 2.381 1.00 0.36 C ATOM 1427 O GLN A 95 -4.366 -8.620 1.394 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.723 -8.796 4.639 1.00 0.53 C ATOM 1429 CG GLN A 95 -5.204 -9.652 5.791 1.00 0.64 C ATOM 1430 CD GLN A 95 -6.520 -9.162 6.366 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -7.624 -9.626 5.801 1.00 1.41 O flip ATOM 1432 NE2 GLN A 95 -6.548 -8.368 7.307 1.00 1.47 N flip ATOM 0 H GLN A 95 -2.641 -10.073 5.052 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.724 -10.354 3.185 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -4.038 -8.038 5.018 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.573 -8.269 4.205 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -5.320 -10.681 5.452 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -4.448 -9.658 6.576 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.677 -8.032 7.717 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.443 -8.046 7.676 1.00 1.47 H new ATOM 1441 N THR A 96 -2.476 -8.060 2.485 1.00 0.33 N ATOM 1442 CA THR A 96 -1.955 -7.235 1.409 1.00 0.31 C ATOM 1443 C THR A 96 -1.787 -8.071 0.140 1.00 0.29 C ATOM 1444 O THR A 96 -1.989 -7.599 -0.979 1.00 0.34 O ATOM 1445 CB THR A 96 -0.602 -6.645 1.816 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.675 -6.155 3.158 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.211 -5.519 0.888 1.00 0.46 C ATOM 0 H THR A 96 -1.879 -8.098 3.311 1.00 0.33 H new ATOM 0 HA THR A 96 -2.659 -6.426 1.213 1.00 0.31 H new ATOM 0 HB THR A 96 0.152 -7.429 1.751 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.956 -5.216 3.149 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.753 -5.113 1.194 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.138 -5.897 -0.132 1.00 0.46 H new ATOM 0 HG23 THR A 96 -0.965 -4.733 0.931 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.449 -9.332 0.350 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.223 -10.285 -0.713 1.00 0.39 C ATOM 1457 C VAL A 97 -2.539 -10.782 -1.310 1.00 0.34 C ATOM 1458 O VAL A 97 -2.796 -10.622 -2.502 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.431 -11.485 -0.143 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.501 -12.695 -1.044 1.00 1.00 C ATOM 1461 CG2 VAL A 97 1.011 -11.098 0.104 1.00 1.05 C ATOM 0 H VAL A 97 -1.323 -9.725 1.283 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.661 -9.793 -1.507 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.897 -11.757 0.804 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.070 -13.511 -0.602 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.540 -13.001 -1.162 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.083 -12.447 -2.020 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.554 -11.954 0.505 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.469 -10.785 -0.834 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.050 -10.276 0.819 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.380 -11.358 -0.459 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.571 -12.075 -0.907 1.00 0.40 C ATOM 1473 C GLU A 98 -5.667 -11.138 -1.396 1.00 0.34 C ATOM 1474 O GLU A 98 -6.665 -11.583 -1.963 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.092 -12.955 0.221 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.040 -13.906 0.754 1.00 0.72 C ATOM 1477 CD GLU A 98 -4.584 -14.866 1.787 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.058 -15.953 1.400 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -4.549 -14.531 2.991 1.00 1.62 O ATOM 0 H GLU A 98 -3.259 -11.343 0.554 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.282 -12.693 -1.757 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.450 -12.323 1.034 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -5.947 -13.529 -0.137 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -3.617 -14.474 -0.075 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.226 -13.330 1.194 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.476 -9.848 -1.191 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.420 -8.863 -1.694 1.00 0.27 C ATOM 1488 C ALA A 99 -6.064 -8.565 -3.134 1.00 0.25 C ATOM 1489 O ALA A 99 -6.915 -8.534 -4.022 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.376 -7.599 -0.848 1.00 0.31 C ATOM 0 H ALA A 99 -4.682 -9.458 -0.683 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.436 -9.253 -1.639 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -7.089 -6.874 -1.240 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.635 -7.842 0.183 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.373 -7.175 -0.880 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.773 -8.391 -3.347 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.210 -8.227 -4.670 1.00 0.24 C ATOM 1498 C ILE A 100 -4.434 -9.470 -5.517 1.00 0.28 C ATOM 1499 O ILE A 100 -4.830 -9.374 -6.668 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.711 -7.935 -4.553 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.494 -6.443 -4.317 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.941 -8.429 -5.765 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -1.046 -6.060 -4.136 1.00 0.38 C ATOM 0 H ILE A 100 -4.081 -8.360 -2.598 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.710 -7.391 -5.160 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.319 -8.484 -3.697 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.904 -5.888 -5.160 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.054 -6.139 -3.433 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.882 -8.202 -5.641 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -2.072 -9.507 -5.865 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.316 -7.934 -6.661 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.972 -4.985 -3.973 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.635 -6.587 -3.275 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.483 -6.331 -5.029 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.172 -10.631 -4.938 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.413 -11.908 -5.600 1.00 0.38 C ATOM 1517 C ASN A 101 -5.857 -12.016 -6.077 1.00 0.37 C ATOM 1518 O ASN A 101 -6.142 -12.679 -7.073 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.080 -13.065 -4.657 1.00 0.46 C ATOM 1520 CG ASN A 101 -2.587 -13.309 -4.533 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -1.781 -12.386 -4.637 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.207 -14.558 -4.324 1.00 1.55 N ATOM 0 H ASN A 101 -3.787 -10.717 -3.997 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.763 -11.964 -6.473 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -4.493 -12.854 -3.670 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.564 -13.973 -5.018 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -1.215 -14.783 -4.244 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -2.906 -15.297 -4.243 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.760 -11.344 -5.376 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.159 -11.324 -5.765 1.00 0.38 C ATOM 1531 C HIS A 102 -8.404 -10.232 -6.805 1.00 0.38 C ATOM 1532 O HIS A 102 -9.291 -10.353 -7.649 1.00 0.47 O ATOM 1533 CB HIS A 102 -9.057 -11.107 -4.542 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.505 -11.365 -4.824 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -11.145 -12.523 -4.461 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.429 -10.616 -5.466 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.397 -12.480 -4.872 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.600 -11.334 -5.486 1.00 0.77 N ATOM 0 H HIS A 102 -6.547 -10.806 -4.536 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.408 -12.289 -6.206 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.728 -11.762 -3.736 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.939 -10.083 -4.189 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.275 -9.633 -5.886 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -13.134 -13.257 -4.729 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.478 -11.030 -5.906 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.604 -9.177 -6.751 1.00 0.32 N ATOM 1548 CA ALA A 103 -7.791 -8.034 -7.636 1.00 0.38 C ATOM 1549 C ALA A 103 -7.128 -8.256 -8.991 1.00 0.40 C ATOM 1550 O ALA A 103 -7.731 -8.027 -10.040 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.227 -6.784 -6.983 1.00 0.43 C ATOM 0 H ALA A 103 -6.820 -9.088 -6.105 1.00 0.32 H new ATOM 0 HA ALA A 103 -8.861 -7.912 -7.806 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.368 -5.931 -7.647 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.744 -6.600 -6.041 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.163 -6.922 -6.791 1.00 0.43 H new ATOM 1557 N LYS A 104 -5.894 -8.733 -8.947 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.036 -8.832 -10.114 1.00 0.51 C ATOM 1559 C LYS A 104 -5.681 -9.620 -11.253 1.00 0.50 C ATOM 1560 O LYS A 104 -5.523 -9.276 -12.422 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.730 -9.499 -9.688 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.907 -10.940 -9.239 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.651 -11.465 -8.585 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.552 -11.702 -9.606 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.325 -12.268 -8.990 1.00 2.56 N ATOM 0 H LYS A 104 -5.456 -9.066 -8.088 1.00 0.40 H new ATOM 0 HA LYS A 104 -4.857 -7.827 -10.497 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.027 -9.469 -10.521 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.286 -8.925 -8.875 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.740 -11.006 -8.539 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -4.161 -11.563 -10.097 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.305 -10.754 -7.835 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.872 -12.396 -8.064 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -1.916 -12.381 -10.377 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -1.308 -10.761 -10.099 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 0.466 -11.606 -9.121 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -0.485 -12.420 -7.974 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -0.096 -13.175 -9.443 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.422 -10.661 -10.909 1.00 0.51 N ATOM 1580 CA ALA A 105 -6.852 -11.629 -11.901 1.00 0.61 C ATOM 1581 C ALA A 105 -8.247 -11.369 -12.440 1.00 0.66 C ATOM 1582 O ALA A 105 -8.820 -12.221 -13.119 1.00 0.76 O ATOM 1583 CB ALA A 105 -6.744 -13.036 -11.349 1.00 0.72 C ATOM 0 H ALA A 105 -6.735 -10.855 -9.958 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.177 -11.518 -12.749 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.070 -13.750 -12.106 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -5.708 -13.242 -11.078 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.375 -13.130 -10.466 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.804 -10.214 -12.146 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.064 -9.848 -12.740 1.00 0.70 C ATOM 1591 C ALA A 106 -9.754 -9.186 -14.062 1.00 0.72 C ATOM 1592 O ALA A 106 -10.259 -9.604 -15.104 1.00 0.90 O ATOM 1593 CB ALA A 106 -10.852 -8.927 -11.821 1.00 0.75 C ATOM 0 H ALA A 106 -8.408 -9.523 -11.508 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.689 -10.727 -12.897 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.799 -8.666 -12.293 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.045 -9.435 -10.876 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.277 -8.020 -11.635 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.856 -8.196 -13.967 1.00 0.67 N ATOM 1600 CA ASN A 107 -8.304 -7.439 -15.102 1.00 0.73 C ATOM 1601 C ASN A 107 -7.971 -6.030 -14.637 1.00 0.67 C ATOM 1602 O ASN A 107 -7.704 -5.134 -15.436 1.00 0.80 O ATOM 1603 CB ASN A 107 -9.276 -7.376 -16.289 1.00 0.92 C ATOM 1604 CG ASN A 107 -10.425 -6.392 -16.106 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -11.457 -6.730 -15.532 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -10.273 -5.183 -16.628 1.00 2.06 N ATOM 0 H ASN A 107 -8.481 -7.889 -13.070 1.00 0.67 H new ATOM 0 HA ASN A 107 -7.407 -7.954 -15.447 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -8.719 -7.104 -17.186 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.688 -8.371 -16.459 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -11.027 -4.500 -16.560 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -9.402 -4.936 -17.098 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.941 -5.855 -13.326 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.926 -4.518 -12.744 1.00 0.49 C ATOM 1615 C VAL A 108 -6.534 -4.109 -12.276 1.00 0.40 C ATOM 1616 O VAL A 108 -5.755 -4.933 -11.793 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.938 -4.391 -11.569 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.521 -5.742 -11.187 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.290 -3.737 -10.356 1.00 1.08 C ATOM 0 H VAL A 108 -7.927 -6.615 -12.646 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.229 -3.838 -13.540 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.753 -3.754 -11.913 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.224 -5.615 -10.363 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.040 -6.170 -12.044 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.718 -6.411 -10.879 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.020 -3.661 -9.550 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.445 -4.341 -10.025 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -7.940 -2.740 -10.624 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.211 -2.816 -12.441 1.00 0.39 N ATOM 1630 CA PRO A 109 -4.982 -2.228 -11.924 1.00 0.35 C ATOM 1631 C PRO A 109 -4.998 -2.056 -10.413 1.00 0.30 C ATOM 1632 O PRO A 109 -6.052 -1.920 -9.784 1.00 0.34 O ATOM 1633 CB PRO A 109 -4.915 -0.852 -12.578 1.00 0.43 C ATOM 1634 CG PRO A 109 -5.974 -0.842 -13.620 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.009 -1.828 -13.175 1.00 0.48 C ATOM 0 HA PRO A 109 -4.130 -2.871 -12.145 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.082 -0.063 -11.845 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -3.933 -0.676 -13.018 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.405 0.153 -13.727 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.566 -1.118 -14.592 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.765 -1.365 -12.541 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.533 -2.276 -14.020 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.815 -1.991 -9.846 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.663 -1.962 -8.404 1.00 0.25 C ATOM 1645 C ILE A 110 -2.820 -0.760 -7.991 1.00 0.23 C ATOM 1646 O ILE A 110 -1.964 -0.301 -8.745 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.034 -3.280 -7.883 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -3.909 -4.476 -8.279 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.863 -3.240 -6.369 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -3.283 -5.819 -7.974 1.00 0.96 C ATOM 0 H ILE A 110 -2.937 -1.957 -10.363 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.652 -1.867 -7.955 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.050 -3.390 -8.338 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -4.864 -4.404 -7.758 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.123 -4.420 -9.346 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -2.420 -4.176 -6.028 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -2.211 -2.410 -6.098 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -3.836 -3.106 -5.896 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -3.961 -6.615 -8.282 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -2.342 -5.914 -8.516 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.094 -5.898 -6.903 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.090 -0.234 -6.807 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.405 0.946 -6.308 1.00 0.25 C ATOM 1664 C ILE A 111 -1.706 0.591 -5.024 1.00 0.32 C ATOM 1665 O ILE A 111 -2.024 -0.412 -4.421 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.410 2.078 -6.029 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.291 2.319 -7.241 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.711 3.359 -5.614 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.722 2.534 -6.847 1.00 0.53 C ATOM 0 H ILE A 111 -3.788 -0.612 -6.167 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.690 1.285 -7.057 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.039 1.762 -5.196 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -3.929 3.189 -7.788 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -4.223 1.467 -7.917 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.454 4.134 -5.426 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.134 3.181 -4.706 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.042 3.683 -6.411 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.324 2.703 -7.740 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.091 1.653 -6.322 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -5.792 3.402 -6.192 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.744 1.384 -4.624 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.104 1.186 -3.368 1.00 0.20 C ATOM 1683 C VAL A 112 -0.195 2.428 -2.524 1.00 0.20 C ATOM 1684 O VAL A 112 -0.063 3.544 -3.022 1.00 0.23 O ATOM 1685 CB VAL A 112 1.361 0.838 -3.550 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.765 -0.166 -2.533 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.609 0.288 -4.929 1.00 0.22 C ATOM 0 H VAL A 112 -0.392 2.176 -5.162 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.616 0.361 -2.873 1.00 0.20 H new ATOM 0 HB VAL A 112 1.952 1.745 -3.426 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.818 -0.415 -2.666 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.612 0.245 -1.535 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.162 -1.066 -2.651 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.666 0.045 -5.039 1.00 0.22 H new ATOM 0 HG22 VAL A 112 1.012 -0.613 -5.074 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.329 1.033 -5.674 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.409 2.225 -1.251 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.417 3.299 -0.310 1.00 0.21 C ATOM 1699 C ALA A 113 0.623 3.007 0.740 1.00 0.21 C ATOM 1700 O ALA A 113 0.344 2.371 1.751 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.794 3.460 0.310 1.00 0.25 C ATOM 0 H ALA A 113 -0.582 1.307 -0.843 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.181 4.239 -0.809 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.778 4.284 1.024 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.523 3.672 -0.472 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.071 2.540 0.824 1.00 0.25 H new ATOM 1707 N ILE A 114 1.829 3.449 0.466 1.00 0.21 N ATOM 1708 CA ILE A 114 2.929 3.314 1.388 1.00 0.24 C ATOM 1709 C ILE A 114 2.705 4.227 2.585 1.00 0.25 C ATOM 1710 O ILE A 114 3.013 5.417 2.535 1.00 0.30 O ATOM 1711 CB ILE A 114 4.257 3.672 0.697 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.402 2.899 -0.618 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.412 3.369 1.617 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.644 3.258 -1.406 1.00 0.85 C ATOM 0 H ILE A 114 2.074 3.915 -0.408 1.00 0.21 H new ATOM 0 HA ILE A 114 2.982 2.279 1.726 1.00 0.24 H new ATOM 0 HB ILE A 114 4.259 4.738 0.469 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.417 1.831 -0.401 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.524 3.086 -1.237 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.349 3.625 1.122 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.313 3.955 2.531 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.411 2.308 1.865 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.676 2.670 -2.323 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.622 4.319 -1.656 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.529 3.044 -0.807 1.00 0.85 H new ATOM 1726 N ASN A 115 2.153 3.670 3.651 1.00 0.26 N ATOM 1727 CA ASN A 115 1.747 4.463 4.796 1.00 0.31 C ATOM 1728 C ASN A 115 2.854 4.499 5.847 1.00 0.37 C ATOM 1729 O ASN A 115 3.808 3.717 5.784 1.00 0.39 O ATOM 1730 CB ASN A 115 0.461 3.880 5.392 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.154 4.750 6.474 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.037 5.980 6.450 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.808 4.117 7.433 1.00 0.69 N ATOM 0 H ASN A 115 1.976 2.670 3.745 1.00 0.26 H new ATOM 0 HA ASN A 115 1.559 5.486 4.470 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.268 3.737 4.594 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.676 2.895 5.807 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.240 4.646 8.191 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -0.881 3.100 7.415 1.00 0.69 H new ATOM 1740 N LYS A 116 2.722 5.430 6.793 1.00 0.49 N ATOM 1741 CA LYS A 116 3.646 5.572 7.920 1.00 0.62 C ATOM 1742 C LYS A 116 5.053 5.961 7.480 1.00 0.57 C ATOM 1743 O LYS A 116 5.986 5.873 8.273 1.00 0.67 O ATOM 1744 CB LYS A 116 3.749 4.281 8.745 1.00 0.78 C ATOM 1745 CG LYS A 116 2.477 3.855 9.455 1.00 1.15 C ATOM 1746 CD LYS A 116 2.800 2.854 10.557 1.00 1.50 C ATOM 1747 CE LYS A 116 1.553 2.263 11.189 1.00 2.05 C ATOM 1748 NZ LYS A 116 0.906 1.254 10.311 1.00 2.61 N ATOM 0 H LYS A 116 1.964 6.113 6.799 1.00 0.49 H new ATOM 0 HA LYS A 116 3.226 6.371 8.530 1.00 0.62 H new ATOM 0 HB2 LYS A 116 4.064 3.473 8.085 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.535 4.408 9.490 1.00 0.78 H new ATOM 0 HG2 LYS A 116 1.980 4.727 9.880 1.00 1.15 H new ATOM 0 HG3 LYS A 116 1.785 3.410 8.741 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.411 2.050 10.146 1.00 1.50 H new ATOM 0 HD3 LYS A 116 3.396 3.345 11.327 1.00 1.50 H new ATOM 0 HE2 LYS A 116 1.814 1.801 12.141 1.00 2.05 H new ATOM 0 HE3 LYS A 116 0.844 3.062 11.406 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 0.223 0.699 10.865 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 0.411 1.736 9.534 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 1.631 0.620 9.919 1.00 2.61 H new ATOM 1762 N MET A 117 5.228 6.399 6.243 1.00 0.58 N ATOM 1763 CA MET A 117 6.574 6.682 5.763 1.00 0.69 C ATOM 1764 C MET A 117 7.015 8.095 6.139 1.00 0.81 C ATOM 1765 O MET A 117 8.065 8.571 5.697 1.00 1.03 O ATOM 1766 CB MET A 117 6.707 6.440 4.265 1.00 0.85 C ATOM 1767 CG MET A 117 6.300 7.599 3.375 1.00 0.81 C ATOM 1768 SD MET A 117 7.482 7.818 2.037 1.00 1.37 S ATOM 1769 CE MET A 117 7.858 6.103 1.677 1.00 0.65 C ATOM 0 H MET A 117 4.480 6.563 5.569 1.00 0.58 H new ATOM 0 HA MET A 117 7.244 5.982 6.262 1.00 0.69 H new ATOM 0 HB2 MET A 117 7.744 6.185 4.047 1.00 0.85 H new ATOM 0 HB3 MET A 117 6.103 5.572 4.000 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.307 7.417 2.964 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.238 8.513 3.965 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.913 5.912 1.876 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.247 5.457 2.307 1.00 0.65 H new ATOM 0 HE3 MET A 117 7.643 5.896 0.629 1.00 0.65 H new ATOM 1852 N ASN A 123 12.295 1.525 3.112 1.00 0.59 N ATOM 1853 CA ASN A 123 12.676 1.631 1.704 1.00 0.57 C ATOM 1854 C ASN A 123 11.524 1.150 0.836 1.00 0.46 C ATOM 1855 O ASN A 123 11.251 -0.049 0.771 1.00 0.52 O ATOM 1856 CB ASN A 123 13.917 0.789 1.382 1.00 0.85 C ATOM 1857 CG ASN A 123 14.540 1.161 0.047 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.865 1.661 -0.857 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.833 0.919 -0.088 1.00 1.84 N ATOM 0 HA ASN A 123 12.909 2.676 1.501 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.656 0.919 2.173 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.644 -0.266 1.371 1.00 0.85 H new ATOM 0 HD21 ASN A 123 16.306 1.147 -0.963 1.00 1.84 H new ATOM 0 HD22 ASN A 123 16.357 0.504 0.682 1.00 1.84 H new ATOM 1866 N PRO A 124 10.797 2.093 0.209 1.00 0.41 N ATOM 1867 CA PRO A 124 9.782 1.788 -0.794 1.00 0.47 C ATOM 1868 C PRO A 124 10.168 0.643 -1.732 1.00 0.42 C ATOM 1869 O PRO A 124 9.440 -0.328 -1.820 1.00 0.40 O ATOM 1870 CB PRO A 124 9.678 3.098 -1.563 1.00 0.66 C ATOM 1871 CG PRO A 124 9.907 4.143 -0.529 1.00 0.70 C ATOM 1872 CD PRO A 124 10.858 3.548 0.479 1.00 0.46 C ATOM 0 HA PRO A 124 8.852 1.449 -0.338 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.421 3.154 -2.358 1.00 0.66 H new ATOM 0 HB3 PRO A 124 8.700 3.209 -2.032 1.00 0.66 H new ATOM 0 HG2 PRO A 124 10.328 5.044 -0.975 1.00 0.70 H new ATOM 0 HG3 PRO A 124 8.969 4.431 -0.054 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.869 3.936 0.352 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.554 3.778 1.500 1.00 0.46 H new ATOM 1880 N ASP A 125 11.319 0.760 -2.401 1.00 0.45 N ATOM 1881 CA ASP A 125 11.780 -0.238 -3.394 1.00 0.45 C ATOM 1882 C ASP A 125 11.664 -1.662 -2.880 1.00 0.38 C ATOM 1883 O ASP A 125 11.137 -2.523 -3.580 1.00 0.33 O ATOM 1884 CB ASP A 125 13.231 0.035 -3.752 1.00 0.56 C ATOM 1885 CG ASP A 125 13.845 -1.064 -4.599 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.556 -1.127 -5.811 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.636 -1.860 -4.052 1.00 2.00 O ATOM 0 H ASP A 125 11.961 1.543 -2.276 1.00 0.45 H new ATOM 0 HA ASP A 125 11.138 -0.142 -4.269 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.296 0.981 -4.290 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.811 0.149 -2.836 1.00 0.56 H new ATOM 1892 N ARG A 126 12.166 -1.905 -1.676 1.00 0.40 N ATOM 1893 CA ARG A 126 12.047 -3.217 -1.054 1.00 0.40 C ATOM 1894 C ARG A 126 10.615 -3.694 -1.135 1.00 0.34 C ATOM 1895 O ARG A 126 10.314 -4.724 -1.734 1.00 0.32 O ATOM 1896 CB ARG A 126 12.467 -3.158 0.412 1.00 0.47 C ATOM 1897 CG ARG A 126 12.207 -4.456 1.155 1.00 0.58 C ATOM 1898 CD ARG A 126 12.990 -5.600 0.544 1.00 1.25 C ATOM 1899 NE ARG A 126 12.871 -6.837 1.317 1.00 1.38 N ATOM 1900 CZ ARG A 126 13.682 -7.885 1.163 1.00 2.08 C ATOM 1901 NH1 ARG A 126 14.669 -7.838 0.279 1.00 2.99 N ATOM 1902 NH2 ARG A 126 13.506 -8.983 1.884 1.00 2.15 N ATOM 0 H ARG A 126 12.658 -1.212 -1.112 1.00 0.40 H new ATOM 0 HA ARG A 126 12.701 -3.908 -1.586 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.529 -2.918 0.471 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.929 -2.349 0.906 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.484 -4.341 2.203 1.00 0.58 H new ATOM 0 HG3 ARG A 126 11.142 -4.686 1.130 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.637 -5.775 -0.472 1.00 1.25 H new ATOM 0 HD3 ARG A 126 14.041 -5.320 0.473 1.00 1.25 H new ATOM 0 HE ARG A 126 12.127 -6.901 2.012 1.00 1.38 H new ATOM 0 HH11 ARG A 126 14.809 -7.000 -0.285 1.00 2.99 H new ATOM 0 HH12 ARG A 126 15.288 -8.640 0.163 1.00 2.99 H new ATOM 0 HH21 ARG A 126 12.746 -9.031 2.563 1.00 2.15 H new ATOM 0 HH22 ARG A 126 14.130 -9.780 1.760 1.00 2.15 H new ATOM 1916 N VAL A 127 9.751 -2.897 -0.540 1.00 0.34 N ATOM 1917 CA VAL A 127 8.312 -3.149 -0.535 1.00 0.34 C ATOM 1918 C VAL A 127 7.788 -3.282 -1.969 1.00 0.31 C ATOM 1919 O VAL A 127 7.053 -4.207 -2.295 1.00 0.33 O ATOM 1920 CB VAL A 127 7.557 -2.000 0.169 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.063 -2.284 0.228 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.114 -1.769 1.567 1.00 0.40 C ATOM 0 H VAL A 127 10.022 -2.049 -0.042 1.00 0.34 H new ATOM 0 HA VAL A 127 8.139 -4.079 0.007 1.00 0.34 H new ATOM 0 HB VAL A 127 7.705 -1.092 -0.415 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.555 -1.459 0.729 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.672 -2.390 -0.784 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.890 -3.207 0.782 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.569 -0.956 2.046 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.003 -2.678 2.158 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.170 -1.507 1.499 1.00 0.40 H new ATOM 1932 N MET A 128 8.210 -2.362 -2.826 1.00 0.28 N ATOM 1933 CA MET A 128 7.762 -2.307 -4.214 1.00 0.26 C ATOM 1934 C MET A 128 8.121 -3.584 -4.967 1.00 0.25 C ATOM 1935 O MET A 128 7.373 -4.033 -5.839 1.00 0.25 O ATOM 1936 CB MET A 128 8.378 -1.097 -4.923 1.00 0.25 C ATOM 1937 CG MET A 128 8.032 0.236 -4.279 1.00 0.27 C ATOM 1938 SD MET A 128 8.904 1.637 -5.011 1.00 0.30 S ATOM 1939 CE MET A 128 8.108 1.748 -6.609 1.00 0.29 C ATOM 0 H MET A 128 8.875 -1.629 -2.579 1.00 0.28 H new ATOM 0 HA MET A 128 6.676 -2.209 -4.208 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.462 -1.211 -4.940 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.043 -1.086 -5.960 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.958 0.403 -4.362 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.266 0.188 -3.215 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.704 2.378 -7.269 1.00 0.29 H new ATOM 0 HE2 MET A 128 8.019 0.751 -7.041 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.115 2.183 -6.492 1.00 0.29 H new ATOM 1949 N GLN A 129 9.262 -4.174 -4.628 1.00 0.25 N ATOM 1950 CA GLN A 129 9.700 -5.401 -5.277 1.00 0.26 C ATOM 1951 C GLN A 129 8.874 -6.578 -4.793 1.00 0.29 C ATOM 1952 O GLN A 129 8.767 -7.595 -5.475 1.00 0.31 O ATOM 1953 CB GLN A 129 11.186 -5.652 -5.035 1.00 0.29 C ATOM 1954 CG GLN A 129 12.085 -4.708 -5.813 1.00 0.31 C ATOM 1955 CD GLN A 129 13.533 -4.798 -5.385 1.00 0.46 C ATOM 1956 OE1 GLN A 129 13.836 -5.139 -4.241 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.439 -4.477 -6.294 1.00 1.28 N ATOM 0 H GLN A 129 9.897 -3.823 -3.911 1.00 0.25 H new ATOM 0 HA GLN A 129 9.551 -5.288 -6.351 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.397 -5.550 -3.970 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.424 -6.680 -5.310 1.00 0.29 H new ATOM 0 HG2 GLN A 129 12.010 -4.935 -6.877 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.733 -3.685 -5.679 1.00 0.31 H new ATOM 0 HE21 GLN A 129 14.146 -4.200 -7.231 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.431 -4.507 -6.058 1.00 1.28 H new ATOM 1966 N GLU A 130 8.279 -6.430 -3.621 1.00 0.33 N ATOM 1967 CA GLU A 130 7.368 -7.436 -3.110 1.00 0.38 C ATOM 1968 C GLU A 130 6.053 -7.328 -3.852 1.00 0.33 C ATOM 1969 O GLU A 130 5.393 -8.326 -4.107 1.00 0.36 O ATOM 1970 CB GLU A 130 7.145 -7.263 -1.608 1.00 0.48 C ATOM 1971 CG GLU A 130 8.379 -6.763 -0.896 1.00 0.71 C ATOM 1972 CD GLU A 130 8.257 -6.776 0.611 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.627 -5.863 1.178 1.00 2.02 O ATOM 1974 OE2 GLU A 130 8.805 -7.705 1.242 1.00 1.46 O ATOM 0 H GLU A 130 8.411 -5.625 -3.009 1.00 0.33 H new ATOM 0 HA GLU A 130 7.802 -8.423 -3.268 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.326 -6.563 -1.443 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.841 -8.217 -1.176 1.00 0.48 H new ATOM 0 HG2 GLU A 130 9.231 -7.377 -1.188 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.591 -5.746 -1.226 1.00 0.71 H new ATOM 1981 N LEU A 131 5.691 -6.111 -4.245 1.00 0.29 N ATOM 1982 CA LEU A 131 4.468 -5.918 -5.010 1.00 0.29 C ATOM 1983 C LEU A 131 4.633 -6.519 -6.379 1.00 0.24 C ATOM 1984 O LEU A 131 3.783 -7.258 -6.863 1.00 0.25 O ATOM 1985 CB LEU A 131 4.102 -4.442 -5.139 1.00 0.32 C ATOM 1986 CG LEU A 131 3.314 -3.876 -3.965 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.116 -4.748 -3.665 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.193 -3.785 -2.754 1.00 1.06 C ATOM 0 H LEU A 131 6.217 -5.259 -4.050 1.00 0.29 H new ATOM 0 HA LEU A 131 3.658 -6.414 -4.475 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.018 -3.864 -5.256 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.519 -4.305 -6.050 1.00 0.32 H new ATOM 0 HG LEU A 131 2.964 -2.878 -4.230 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.563 -4.330 -2.824 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.468 -4.789 -4.540 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.452 -5.754 -3.414 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.621 -3.379 -1.919 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.559 -4.778 -2.494 1.00 1.06 H new ATOM 0 HD23 LEU A 131 5.039 -3.131 -2.967 1.00 1.06 H new ATOM 2000 N MET A 132 5.761 -6.242 -6.986 1.00 0.21 N ATOM 2001 CA MET A 132 6.048 -6.789 -8.286 1.00 0.22 C ATOM 2002 C MET A 132 6.378 -8.274 -8.171 1.00 0.26 C ATOM 2003 O MET A 132 6.516 -8.969 -9.176 1.00 0.32 O ATOM 2004 CB MET A 132 7.174 -6.009 -8.943 1.00 0.23 C ATOM 2005 CG MET A 132 8.565 -6.359 -8.447 1.00 0.26 C ATOM 2006 SD MET A 132 9.403 -7.476 -9.573 1.00 0.35 S ATOM 2007 CE MET A 132 8.813 -6.786 -11.113 1.00 0.32 C ATOM 0 H MET A 132 6.492 -5.643 -6.601 1.00 0.21 H new ATOM 0 HA MET A 132 5.167 -6.696 -8.921 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.134 -6.178 -10.019 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.003 -4.945 -8.781 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.152 -5.448 -8.333 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.496 -6.819 -7.461 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.520 -7.017 -11.910 1.00 0.32 H new ATOM 0 HE2 MET A 132 7.841 -7.215 -11.355 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.718 -5.705 -11.015 1.00 0.32 H new ATOM 2017 N GLU A 133 6.465 -8.766 -6.932 1.00 0.27 N ATOM 2018 CA GLU A 133 6.594 -10.190 -6.692 1.00 0.35 C ATOM 2019 C GLU A 133 5.226 -10.823 -6.894 1.00 0.34 C ATOM 2020 O GLU A 133 5.117 -11.982 -7.299 1.00 0.40 O ATOM 2021 CB GLU A 133 7.120 -10.463 -5.277 1.00 0.44 C ATOM 2022 CG GLU A 133 7.390 -11.929 -4.977 1.00 0.67 C ATOM 2023 CD GLU A 133 8.492 -12.516 -5.834 1.00 1.30 C ATOM 2024 OE1 GLU A 133 9.606 -11.949 -5.854 1.00 1.55 O ATOM 2025 OE2 GLU A 133 8.260 -13.566 -6.472 1.00 2.18 O ATOM 0 H GLU A 133 6.448 -8.194 -6.088 1.00 0.27 H new ATOM 0 HA GLU A 133 7.313 -10.622 -7.387 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.041 -9.899 -5.130 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.397 -10.085 -4.555 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.659 -12.035 -3.926 1.00 0.67 H new ATOM 0 HG3 GLU A 133 6.474 -12.500 -5.131 1.00 0.67 H new ATOM 2032 N TYR A 134 4.169 -10.050 -6.627 1.00 0.30 N ATOM 2033 CA TYR A 134 2.826 -10.496 -6.955 1.00 0.34 C ATOM 2034 C TYR A 134 2.445 -9.998 -8.349 1.00 0.36 C ATOM 2035 O TYR A 134 1.301 -10.128 -8.787 1.00 0.44 O ATOM 2036 CB TYR A 134 1.853 -10.051 -5.879 1.00 0.32 C ATOM 2037 CG TYR A 134 2.399 -10.328 -4.499 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.677 -11.627 -4.094 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.704 -9.293 -3.634 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.230 -11.885 -2.858 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.271 -9.540 -2.401 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.532 -10.840 -2.017 1.00 0.57 C ATOM 2043 OH TYR A 134 4.103 -11.095 -0.790 1.00 0.74 O ATOM 0 H TYR A 134 4.222 -9.129 -6.192 1.00 0.30 H new ATOM 0 HA TYR A 134 2.786 -11.585 -6.982 1.00 0.34 H new ATOM 0 HB2 TYR A 134 1.652 -8.985 -5.986 1.00 0.32 H new ATOM 0 HB3 TYR A 134 0.903 -10.569 -6.008 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.456 -12.449 -4.759 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.495 -8.275 -3.929 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.425 -12.902 -2.552 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.510 -8.720 -1.739 1.00 0.49 H new ATOM 0 HH TYR A 134 4.255 -10.250 -0.318 1.00 0.74 H new ATOM 2053 N ASN A 135 3.443 -9.401 -9.012 1.00 0.35 N ATOM 2054 CA ASN A 135 3.422 -9.100 -10.449 1.00 0.38 C ATOM 2055 C ASN A 135 2.598 -7.870 -10.747 1.00 0.42 C ATOM 2056 O ASN A 135 2.102 -7.691 -11.856 1.00 0.59 O ATOM 2057 CB ASN A 135 2.910 -10.288 -11.276 1.00 0.47 C ATOM 2058 CG ASN A 135 3.843 -11.478 -11.243 1.00 1.19 C ATOM 2059 OD1 ASN A 135 3.737 -12.345 -10.375 1.00 1.94 O ATOM 2060 ND2 ASN A 135 4.754 -11.539 -12.200 1.00 1.89 N ATOM 0 H ASN A 135 4.306 -9.107 -8.555 1.00 0.35 H new ATOM 0 HA ASN A 135 4.454 -8.904 -10.739 1.00 0.38 H new ATOM 0 HB2 ASN A 135 1.932 -10.590 -10.901 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.771 -9.971 -12.310 1.00 0.47 H new ATOM 0 HD21 ASN A 135 5.402 -12.326 -12.238 1.00 1.89 H new ATOM 0 HD22 ASN A 135 4.808 -10.799 -12.900 1.00 1.89 H new ATOM 2067 N LEU A 136 2.469 -7.017 -9.761 1.00 0.38 N ATOM 2068 CA LEU A 136 1.842 -5.743 -9.963 1.00 0.46 C ATOM 2069 C LEU A 136 2.933 -4.691 -9.973 1.00 0.39 C ATOM 2070 O LEU A 136 3.230 -4.034 -8.974 1.00 0.43 O ATOM 2071 CB LEU A 136 0.761 -5.475 -8.912 1.00 0.62 C ATOM 2072 CG LEU A 136 1.212 -5.474 -7.459 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.512 -4.361 -6.702 1.00 1.68 C ATOM 2074 CD2 LEU A 136 0.902 -6.815 -6.823 1.00 1.44 C ATOM 0 H LEU A 136 2.793 -7.187 -8.809 1.00 0.38 H new ATOM 0 HA LEU A 136 1.317 -5.721 -10.918 1.00 0.46 H new ATOM 0 HB2 LEU A 136 0.307 -4.508 -9.129 1.00 0.62 H new ATOM 0 HB3 LEU A 136 -0.020 -6.227 -9.026 1.00 0.62 H new ATOM 0 HG LEU A 136 2.288 -5.305 -7.418 1.00 0.89 H new ATOM 0 HD11 LEU A 136 0.840 -4.366 -5.662 1.00 1.68 H new ATOM 0 HD12 LEU A 136 0.759 -3.401 -7.156 1.00 1.68 H new ATOM 0 HD13 LEU A 136 -0.566 -4.515 -6.743 1.00 1.68 H new ATOM 0 HD21 LEU A 136 1.227 -6.808 -5.783 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.172 -6.999 -6.866 1.00 1.44 H new ATOM 0 HD23 LEU A 136 1.427 -7.603 -7.362 1.00 1.44 H new ATOM 2086 N VAL A 137 3.585 -4.620 -11.114 1.00 0.33 N ATOM 2087 CA VAL A 137 4.716 -3.736 -11.316 1.00 0.27 C ATOM 2088 C VAL A 137 4.309 -2.283 -11.244 1.00 0.26 C ATOM 2089 O VAL A 137 3.342 -1.862 -11.872 1.00 0.27 O ATOM 2090 CB VAL A 137 5.405 -3.964 -12.670 1.00 0.27 C ATOM 2091 CG1 VAL A 137 6.837 -4.429 -12.457 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.623 -4.950 -13.526 1.00 0.49 C ATOM 0 H VAL A 137 3.344 -5.177 -11.934 1.00 0.33 H new ATOM 0 HA VAL A 137 5.413 -3.972 -10.511 1.00 0.27 H new ATOM 0 HB VAL A 137 5.429 -3.017 -13.210 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.316 -4.587 -13.423 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.387 -3.670 -11.900 1.00 0.61 H new ATOM 0 HG13 VAL A 137 6.836 -5.363 -11.895 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.135 -5.091 -14.478 1.00 0.49 H new ATOM 0 HG22 VAL A 137 4.552 -5.906 -13.007 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.621 -4.560 -13.707 1.00 0.49 H new ATOM 2102 N PRO A 138 5.054 -1.510 -10.459 1.00 0.25 N ATOM 2103 CA PRO A 138 4.894 -0.062 -10.368 1.00 0.27 C ATOM 2104 C PRO A 138 4.851 0.625 -11.720 1.00 0.30 C ATOM 2105 O PRO A 138 5.382 0.135 -12.717 1.00 0.29 O ATOM 2106 CB PRO A 138 6.149 0.385 -9.643 1.00 0.30 C ATOM 2107 CG PRO A 138 6.549 -0.775 -8.820 1.00 0.29 C ATOM 2108 CD PRO A 138 6.094 -2.013 -9.547 1.00 0.27 C ATOM 0 HA PRO A 138 3.955 0.191 -9.876 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.935 0.659 -10.347 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.956 1.261 -9.023 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.629 -0.789 -8.674 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.094 -0.720 -7.831 1.00 0.29 H new ATOM 0 HD2 PRO A 138 6.913 -2.483 -10.092 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.698 -2.760 -8.859 1.00 0.27 H new ATOM 2116 N GLU A 139 4.254 1.796 -11.713 1.00 0.35 N ATOM 2117 CA GLU A 139 4.167 2.642 -12.894 1.00 0.40 C ATOM 2118 C GLU A 139 5.531 3.239 -13.191 1.00 0.42 C ATOM 2119 O GLU A 139 5.841 3.576 -14.330 1.00 0.50 O ATOM 2120 CB GLU A 139 3.146 3.753 -12.677 1.00 0.47 C ATOM 2121 CG GLU A 139 1.702 3.310 -12.807 1.00 0.80 C ATOM 2122 CD GLU A 139 1.290 3.128 -14.251 1.00 1.49 C ATOM 2123 OE1 GLU A 139 1.476 4.076 -15.048 1.00 1.98 O ATOM 2124 OE2 GLU A 139 0.798 2.041 -14.598 1.00 2.01 O ATOM 0 H GLU A 139 3.811 2.195 -10.885 1.00 0.35 H new ATOM 0 HA GLU A 139 3.845 2.037 -13.742 1.00 0.40 H new ATOM 0 HB2 GLU A 139 3.295 4.178 -11.684 1.00 0.47 H new ATOM 0 HB3 GLU A 139 3.335 4.550 -13.397 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.561 2.372 -12.269 1.00 0.80 H new ATOM 0 HG3 GLU A 139 1.053 4.048 -12.336 1.00 0.80 H new ATOM 2131 N GLU A 140 6.338 3.367 -12.138 1.00 0.42 N ATOM 2132 CA GLU A 140 7.737 3.756 -12.270 1.00 0.44 C ATOM 2133 C GLU A 140 8.438 2.751 -13.156 1.00 0.43 C ATOM 2134 O GLU A 140 9.215 3.097 -14.042 1.00 0.51 O ATOM 2135 CB GLU A 140 8.441 3.722 -10.910 1.00 0.45 C ATOM 2136 CG GLU A 140 7.589 4.158 -9.748 1.00 0.75 C ATOM 2137 CD GLU A 140 7.027 5.553 -9.916 1.00 0.87 C ATOM 2138 OE1 GLU A 140 7.755 6.530 -9.647 1.00 1.14 O ATOM 2139 OE2 GLU A 140 5.855 5.677 -10.320 1.00 1.01 O ATOM 0 H GLU A 140 6.040 3.205 -11.176 1.00 0.42 H new ATOM 0 HA GLU A 140 7.775 4.763 -12.685 1.00 0.44 H new ATOM 0 HB2 GLU A 140 8.793 2.707 -10.724 1.00 0.45 H new ATOM 0 HB3 GLU A 140 9.322 4.362 -10.957 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.766 3.454 -9.624 1.00 0.75 H new ATOM 0 HG3 GLU A 140 8.183 4.119 -8.835 1.00 0.75 H new ATOM 2146 N TRP A 141 8.127 1.493 -12.895 1.00 0.35 N ATOM 2147 CA TRP A 141 8.855 0.387 -13.478 1.00 0.35 C ATOM 2148 C TRP A 141 8.245 0.001 -14.813 1.00 0.38 C ATOM 2149 O TRP A 141 8.920 -0.558 -15.677 1.00 0.45 O ATOM 2150 CB TRP A 141 8.891 -0.783 -12.507 1.00 0.32 C ATOM 2151 CG TRP A 141 9.339 -0.408 -11.108 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.621 0.847 -10.627 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.526 -1.294 -9.998 1.00 0.25 C ATOM 2154 NE1 TRP A 141 9.967 0.791 -9.311 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.918 -0.512 -8.893 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.397 -2.670 -9.835 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.174 -1.063 -7.641 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.644 -3.218 -8.589 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.029 -2.417 -7.505 1.00 0.23 C ATOM 0 H TRP A 141 7.366 1.214 -12.276 1.00 0.35 H new ATOM 0 HA TRP A 141 9.885 0.690 -13.667 1.00 0.35 H new ATOM 0 HB2 TRP A 141 7.897 -1.228 -12.453 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.561 -1.548 -12.900 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.575 1.754 -11.212 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.221 1.590 -8.731 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.110 -3.298 -10.665 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.476 -0.445 -6.808 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.538 -4.284 -8.449 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.214 -2.877 -6.545 1.00 0.23 H new ATOM 2170 N GLY A 142 6.965 0.309 -14.986 1.00 0.35 N ATOM 2171 CA GLY A 142 6.357 0.161 -16.286 1.00 0.39 C ATOM 2172 C GLY A 142 5.300 -0.908 -16.300 1.00 0.38 C ATOM 2173 O GLY A 142 5.043 -1.526 -17.328 1.00 0.45 O ATOM 0 H GLY A 142 6.345 0.655 -14.254 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.915 1.110 -16.589 1.00 0.39 H new ATOM 0 HA3 GLY A 142 7.126 -0.081 -17.020 1.00 0.39 H new ATOM 2177 N GLY A 143 4.706 -1.144 -15.146 1.00 0.33 N ATOM 2178 CA GLY A 143 3.632 -2.100 -15.061 1.00 0.34 C ATOM 2179 C GLY A 143 2.284 -1.428 -15.012 1.00 0.37 C ATOM 2180 O GLY A 143 1.885 -0.742 -15.954 1.00 0.50 O ATOM 0 H GLY A 143 4.949 -0.690 -14.266 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.673 -2.769 -15.920 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.763 -2.715 -14.171 1.00 0.34 H new ATOM 2184 N ASP A 144 1.599 -1.596 -13.897 1.00 0.33 N ATOM 2185 CA ASP A 144 0.264 -1.044 -13.734 1.00 0.40 C ATOM 2186 C ASP A 144 -0.045 -0.774 -12.271 1.00 0.30 C ATOM 2187 O ASP A 144 -1.188 -0.933 -11.830 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.788 -1.988 -14.303 1.00 0.57 C ATOM 2189 CG ASP A 144 -1.368 -1.517 -15.622 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -2.170 -0.558 -15.623 1.00 1.30 O ATOM 2191 OD2 ASP A 144 -1.028 -2.101 -16.671 1.00 1.19 O ATOM 0 H ASP A 144 1.945 -2.111 -13.088 1.00 0.33 H new ATOM 0 HA ASP A 144 0.236 -0.102 -14.281 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -0.344 -2.974 -14.441 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -1.595 -2.100 -13.579 1.00 0.57 H new ATOM 2196 N THR A 145 0.964 -0.400 -11.498 1.00 0.25 N ATOM 2197 CA THR A 145 0.736 -0.149 -10.084 1.00 0.24 C ATOM 2198 C THR A 145 1.260 1.211 -9.639 1.00 0.24 C ATOM 2199 O THR A 145 2.448 1.506 -9.742 1.00 0.31 O ATOM 2200 CB THR A 145 1.358 -1.267 -9.240 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.857 -2.520 -9.710 1.00 0.32 O ATOM 2202 CG2 THR A 145 1.017 -1.106 -7.769 1.00 0.28 C ATOM 0 H THR A 145 1.924 -0.266 -11.815 1.00 0.25 H new ATOM 0 HA THR A 145 -0.343 -0.138 -9.930 1.00 0.24 H new ATOM 0 HB THR A 145 2.443 -1.221 -9.339 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.120 -2.480 -9.770 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.474 -1.915 -7.199 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.397 -0.150 -7.410 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.065 -1.137 -7.641 1.00 0.28 H new ATOM 2210 N ILE A 146 0.354 2.038 -9.133 1.00 0.26 N ATOM 2211 CA ILE A 146 0.699 3.380 -8.692 1.00 0.27 C ATOM 2212 C ILE A 146 1.144 3.362 -7.230 1.00 0.24 C ATOM 2213 O ILE A 146 0.338 3.129 -6.333 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.490 4.365 -8.863 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -0.854 4.554 -10.343 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.170 5.711 -8.226 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -1.621 3.394 -10.950 1.00 1.23 C ATOM 0 H ILE A 146 -0.631 1.799 -9.018 1.00 0.26 H new ATOM 0 HA ILE A 146 1.520 3.727 -9.319 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.351 3.930 -8.355 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.449 5.461 -10.446 1.00 0.48 H new ATOM 0 HG13 ILE A 146 0.062 4.707 -10.914 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.016 6.386 -8.357 1.00 0.34 H new ATOM 0 HG22 ILE A 146 0.023 5.573 -7.162 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.712 6.138 -8.702 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -1.838 3.609 -11.996 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.021 2.486 -10.883 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.556 3.252 -10.408 1.00 1.23 H new ATOM 2229 N PHE A 147 2.425 3.590 -6.997 1.00 0.23 N ATOM 2230 CA PHE A 147 2.964 3.604 -5.644 1.00 0.22 C ATOM 2231 C PHE A 147 2.870 4.993 -5.031 1.00 0.24 C ATOM 2232 O PHE A 147 3.596 5.909 -5.424 1.00 0.38 O ATOM 2233 CB PHE A 147 4.416 3.124 -5.640 1.00 0.23 C ATOM 2234 CG PHE A 147 4.527 1.636 -5.559 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.323 0.848 -6.677 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.807 1.022 -4.352 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.401 -0.527 -6.592 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.882 -0.352 -4.259 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.681 -1.127 -5.382 1.00 0.19 C ATOM 0 H PHE A 147 3.114 3.769 -7.727 1.00 0.23 H new ATOM 0 HA PHE A 147 2.366 2.923 -5.039 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.913 3.473 -6.545 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.941 3.571 -4.795 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.100 1.313 -7.626 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.969 1.626 -3.471 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.243 -1.133 -7.472 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.097 -0.820 -3.310 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.743 -2.203 -5.314 1.00 0.19 H new ATOM 2249 N CYS A 148 1.966 5.147 -4.078 1.00 0.25 N ATOM 2250 CA CYS A 148 1.827 6.399 -3.365 1.00 0.28 C ATOM 2251 C CYS A 148 2.564 6.306 -2.044 1.00 0.26 C ATOM 2252 O CYS A 148 2.251 5.454 -1.219 1.00 0.32 O ATOM 2253 CB CYS A 148 0.352 6.715 -3.100 1.00 0.30 C ATOM 2254 SG CYS A 148 0.047 8.398 -2.513 1.00 1.10 S ATOM 0 H CYS A 148 1.318 4.417 -3.782 1.00 0.25 H new ATOM 0 HA CYS A 148 2.249 7.197 -3.977 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.213 6.555 -4.018 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -0.032 6.010 -2.363 1.00 0.30 H new ATOM 0 HG CYS A 148 -0.357 9.137 -3.504 1.00 1.10 H new ATOM 2260 N LYS A 149 3.558 7.149 -1.851 1.00 0.37 N ATOM 2261 CA LYS A 149 4.222 7.234 -0.565 1.00 0.38 C ATOM 2262 C LYS A 149 3.551 8.311 0.273 1.00 0.39 C ATOM 2263 O LYS A 149 3.739 9.507 0.048 1.00 0.47 O ATOM 2264 CB LYS A 149 5.720 7.506 -0.731 1.00 0.47 C ATOM 2265 CG LYS A 149 6.057 8.645 -1.681 1.00 0.64 C ATOM 2266 CD LYS A 149 7.430 9.235 -1.388 1.00 0.94 C ATOM 2267 CE LYS A 149 8.528 8.184 -1.420 1.00 1.57 C ATOM 2268 NZ LYS A 149 9.849 8.752 -1.035 1.00 2.44 N ATOM 0 H LYS A 149 3.923 7.782 -2.563 1.00 0.37 H new ATOM 0 HA LYS A 149 4.131 6.277 -0.051 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.146 7.729 0.247 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.203 6.597 -1.089 1.00 0.47 H new ATOM 0 HG2 LYS A 149 6.028 8.282 -2.709 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.300 9.425 -1.597 1.00 0.64 H new ATOM 0 HD2 LYS A 149 7.653 10.012 -2.119 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.416 9.713 -0.409 1.00 0.94 H new ATOM 0 HE2 LYS A 149 8.271 7.370 -0.743 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.594 7.757 -2.421 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 10.571 8.005 -1.069 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 10.106 9.512 -1.696 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 9.794 9.136 -0.070 1.00 2.44 H new ATOM 2282 N LEU A 150 2.735 7.886 1.221 1.00 0.40 N ATOM 2283 CA LEU A 150 1.911 8.822 1.966 1.00 0.45 C ATOM 2284 C LEU A 150 2.014 8.629 3.471 1.00 0.45 C ATOM 2285 O LEU A 150 2.868 7.902 3.978 1.00 0.49 O ATOM 2286 CB LEU A 150 0.449 8.668 1.562 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.163 7.314 1.891 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -1.614 7.470 2.307 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -0.036 6.386 0.699 1.00 1.27 C ATOM 0 H LEU A 150 2.625 6.909 1.492 1.00 0.40 H new ATOM 0 HA LEU A 150 2.281 9.818 1.724 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.134 9.445 2.057 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.363 8.839 0.489 1.00 0.60 H new ATOM 0 HG LEU A 150 0.378 6.876 2.730 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -2.034 6.491 2.538 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -1.673 8.107 3.189 1.00 1.25 H new ATOM 0 HD13 LEU A 150 -2.179 7.924 1.493 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -0.476 5.419 0.942 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.558 6.818 -0.155 1.00 1.27 H new ATOM 0 HD23 LEU A 150 1.017 6.253 0.452 1.00 1.27 H new ATOM 2301 N SER A 151 1.109 9.314 4.166 1.00 0.49 N ATOM 2302 CA SER A 151 0.971 9.235 5.605 1.00 0.55 C ATOM 2303 C SER A 151 -0.357 9.855 6.024 1.00 0.57 C ATOM 2304 O SER A 151 -0.622 11.016 5.728 1.00 0.60 O ATOM 2305 CB SER A 151 2.139 9.927 6.291 1.00 0.66 C ATOM 2306 OG SER A 151 3.281 9.089 6.308 1.00 1.79 O ATOM 0 H SER A 151 0.442 9.950 3.729 1.00 0.49 H new ATOM 0 HA SER A 151 0.980 8.189 5.911 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.372 10.857 5.772 1.00 0.66 H new ATOM 0 HB3 SER A 151 1.862 10.192 7.311 1.00 0.66 H new ATOM 0 HG SER A 151 3.205 8.418 5.598 1.00 1.79 H new ATOM 2312 N ALA A 152 -1.201 9.067 6.680 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.528 9.523 7.098 1.00 0.70 C ATOM 2314 C ALA A 152 -2.479 10.240 8.439 1.00 0.74 C ATOM 2315 O ALA A 152 -3.443 10.888 8.832 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.485 8.342 7.162 1.00 0.86 C ATOM 0 H ALA A 152 -0.991 8.102 6.937 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.887 10.238 6.358 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.470 8.689 7.474 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.558 7.879 6.178 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -3.114 7.611 7.880 1.00 0.86 H new ATOM 2322 N LYS A 153 -1.360 10.131 9.139 1.00 0.77 N ATOM 2323 CA LYS A 153 -1.193 10.829 10.395 1.00 0.93 C ATOM 2324 C LYS A 153 -0.808 12.274 10.124 1.00 0.86 C ATOM 2325 O LYS A 153 -1.362 13.211 10.694 1.00 0.96 O ATOM 2326 CB LYS A 153 -0.127 10.125 11.235 1.00 1.13 C ATOM 2327 CG LYS A 153 1.299 10.268 10.725 1.00 1.19 C ATOM 2328 CD LYS A 153 2.302 9.603 11.652 1.00 1.68 C ATOM 2329 CE LYS A 153 3.723 9.994 11.286 1.00 2.31 C ATOM 2330 NZ LYS A 153 3.951 11.455 11.449 1.00 3.03 N ATOM 0 H LYS A 153 -0.559 9.567 8.856 1.00 0.77 H new ATOM 0 HA LYS A 153 -2.130 10.820 10.953 1.00 0.93 H new ATOM 0 HB2 LYS A 153 -0.173 10.515 12.252 1.00 1.13 H new ATOM 0 HB3 LYS A 153 -0.372 9.064 11.289 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.375 9.827 9.731 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.544 11.325 10.624 1.00 1.19 H new ATOM 0 HD2 LYS A 153 2.096 9.890 12.683 1.00 1.68 H new ATOM 0 HD3 LYS A 153 2.193 8.520 11.595 1.00 1.68 H new ATOM 0 HE2 LYS A 153 4.425 9.444 11.913 1.00 2.31 H new ATOM 0 HE3 LYS A 153 3.925 9.707 10.254 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 4.971 11.654 11.406 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.466 11.969 10.686 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 3.576 11.764 12.368 1.00 3.03 H new ATOM 2344 N THR A 154 0.150 12.420 9.235 1.00 0.78 N ATOM 2345 CA THR A 154 0.594 13.716 8.766 1.00 0.81 C ATOM 2346 C THR A 154 -0.387 14.255 7.725 1.00 0.73 C ATOM 2347 O THR A 154 -0.475 15.458 7.486 1.00 0.82 O ATOM 2348 CB THR A 154 2.001 13.580 8.151 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.706 12.529 8.826 1.00 1.19 O ATOM 2350 CG2 THR A 154 2.796 14.867 8.274 1.00 1.20 C ATOM 0 H THR A 154 0.648 11.636 8.813 1.00 0.78 H new ATOM 0 HA THR A 154 0.633 14.414 9.603 1.00 0.81 H new ATOM 0 HB THR A 154 1.887 13.353 7.091 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.607 12.836 9.057 1.00 1.19 H new ATOM 0 HG21 THR A 154 3.781 14.730 7.829 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.272 15.669 7.755 1.00 1.20 H new ATOM 0 HG23 THR A 154 2.906 15.127 9.327 1.00 1.20 H new ATOM 2358 N LYS A 155 -1.122 13.322 7.120 1.00 0.65 N ATOM 2359 CA LYS A 155 -2.163 13.614 6.121 1.00 0.67 C ATOM 2360 C LYS A 155 -1.624 14.258 4.840 1.00 0.66 C ATOM 2361 O LYS A 155 -2.399 14.585 3.942 1.00 0.86 O ATOM 2362 CB LYS A 155 -3.276 14.470 6.727 1.00 0.86 C ATOM 2363 CG LYS A 155 -4.126 13.697 7.718 1.00 1.27 C ATOM 2364 CD LYS A 155 -5.194 14.551 8.372 1.00 1.12 C ATOM 2365 CE LYS A 155 -6.438 14.660 7.504 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.223 15.500 6.290 1.00 2.27 N ATOM 0 H LYS A 155 -1.013 12.326 7.309 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.572 12.648 5.826 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.836 15.333 7.226 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -3.912 14.853 5.929 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.601 12.860 7.206 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.482 13.275 8.490 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -5.461 14.123 9.338 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.796 15.547 8.564 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.751 13.662 7.199 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -7.251 15.083 8.094 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -7.089 16.037 6.082 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.438 16.161 6.460 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -5.992 14.888 5.481 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.307 14.403 4.742 1.00 0.62 N ATOM 2381 CA GLU A 156 0.327 14.947 3.541 1.00 0.66 C ATOM 2382 C GLU A 156 0.003 14.080 2.331 1.00 0.59 C ATOM 2383 O GLU A 156 -0.541 14.542 1.317 1.00 0.58 O ATOM 2384 CB GLU A 156 1.845 14.986 3.733 1.00 0.75 C ATOM 2385 CG GLU A 156 2.290 15.776 4.949 1.00 1.13 C ATOM 2386 CD GLU A 156 2.114 17.270 4.774 1.00 1.78 C ATOM 2387 OE1 GLU A 156 1.015 17.787 5.059 1.00 2.64 O ATOM 2388 OE2 GLU A 156 3.083 17.936 4.349 1.00 2.03 O ATOM 0 H GLU A 156 0.347 14.151 5.483 1.00 0.62 H new ATOM 0 HA GLU A 156 -0.054 15.955 3.374 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.217 13.965 3.819 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.303 15.418 2.843 1.00 0.75 H new ATOM 0 HG2 GLU A 156 1.721 15.447 5.819 1.00 1.13 H new ATOM 0 HG3 GLU A 156 3.339 15.560 5.154 1.00 1.13 H new ATOM 2395 N GLY A 157 0.335 12.809 2.463 1.00 0.62 N ATOM 2396 CA GLY A 157 0.151 11.874 1.388 1.00 0.61 C ATOM 2397 C GLY A 157 -1.302 11.573 1.091 1.00 0.48 C ATOM 2398 O GLY A 157 -1.605 10.963 0.074 1.00 0.46 O ATOM 0 H GLY A 157 0.735 12.407 3.311 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.623 12.269 0.489 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.663 10.944 1.634 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.205 11.987 1.977 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.628 11.783 1.755 1.00 0.50 C ATOM 2404 C LEU A 158 -4.113 12.645 0.601 1.00 0.46 C ATOM 2405 O LEU A 158 -4.873 12.188 -0.254 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.425 12.104 3.016 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.307 11.075 4.139 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -5.227 11.443 5.290 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -4.633 9.684 3.617 1.00 1.27 C ATOM 0 H LEU A 158 -1.975 12.463 2.849 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.784 10.734 1.504 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -4.099 13.072 3.396 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.476 12.205 2.746 1.00 0.62 H new ATOM 0 HG LEU A 158 -3.280 11.073 4.506 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -5.132 10.701 6.083 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -4.952 12.424 5.677 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.258 11.468 4.938 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -4.545 8.961 4.428 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.651 9.671 3.228 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -3.937 9.422 2.820 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.656 13.892 0.580 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.969 14.799 -0.515 1.00 0.57 C ATOM 2423 C ASP A 159 -3.385 14.257 -1.809 1.00 0.50 C ATOM 2424 O ASP A 159 -4.059 14.205 -2.837 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.405 16.192 -0.232 1.00 0.73 C ATOM 2426 CG ASP A 159 -3.760 17.193 -1.315 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -4.865 17.769 -1.253 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -2.931 17.414 -2.224 1.00 2.50 O ATOM 0 H ASP A 159 -3.068 14.297 1.309 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.052 14.876 -0.611 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.786 16.547 0.726 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -2.321 16.130 -0.140 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.130 13.820 -1.737 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.454 13.248 -2.900 1.00 0.46 C ATOM 2435 C HIS A 160 -2.136 11.951 -3.341 1.00 0.41 C ATOM 2436 O HIS A 160 -2.131 11.612 -4.524 1.00 0.43 O ATOM 2437 CB HIS A 160 0.026 12.990 -2.582 1.00 0.50 C ATOM 2438 CG HIS A 160 0.841 12.553 -3.766 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.311 11.333 -4.120 1.00 0.67 N flip ATOM 2440 CD2 HIS A 160 1.269 13.421 -4.743 1.00 0.59 C flip ATOM 2441 CE1 HIS A 160 2.007 11.487 -5.296 1.00 0.73 C flip ATOM 2442 NE2 HIS A 160 1.963 12.759 -5.650 1.00 0.67 N flip ATOM 0 H HIS A 160 -1.562 13.850 -0.890 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.518 13.964 -3.719 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.462 13.900 -2.170 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.092 12.226 -1.807 1.00 0.50 H new ATOM 0 HD1 HIS A 160 1.174 10.461 -3.609 1.00 0.67 H new ATOM 0 HD2 HIS A 160 1.068 14.482 -4.765 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.507 10.699 -5.840 1.00 0.73 H new ATOM 2451 N LEU A 161 -2.729 11.242 -2.387 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.383 9.968 -2.664 1.00 0.39 C ATOM 2453 C LEU A 161 -4.618 10.162 -3.534 1.00 0.39 C ATOM 2454 O LEU A 161 -4.690 9.620 -4.633 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.774 9.274 -1.357 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.454 7.914 -1.522 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.532 6.945 -2.246 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.872 7.357 -0.169 1.00 0.88 C ATOM 0 H LEU A 161 -2.770 11.530 -1.409 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.675 9.341 -3.206 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.877 9.143 -0.751 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.442 9.931 -0.800 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.352 8.046 -2.125 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.030 5.982 -2.356 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.289 7.342 -3.232 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.615 6.816 -1.670 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.354 6.389 -0.307 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -3.992 7.237 0.463 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.570 8.045 0.308 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.572 10.947 -3.043 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.816 11.204 -3.764 1.00 0.44 C ATOM 2472 C LEU A 162 -6.528 11.726 -5.166 1.00 0.45 C ATOM 2473 O LEU A 162 -7.177 11.324 -6.132 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.658 12.221 -2.993 1.00 0.50 C ATOM 2475 CG LEU A 162 -8.060 11.801 -1.579 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.852 12.907 -0.900 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.868 10.511 -1.614 1.00 1.06 C ATOM 0 H LEU A 162 -5.507 11.420 -2.142 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.367 10.268 -3.851 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -7.102 13.156 -2.932 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.563 12.426 -3.564 1.00 0.50 H new ATOM 0 HG LEU A 162 -7.152 11.623 -1.002 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -9.130 12.591 0.105 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -8.242 13.808 -0.841 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.753 13.116 -1.477 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.145 10.228 -0.599 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.770 10.662 -2.207 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.268 9.718 -2.061 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.526 12.592 -5.268 1.00 0.46 N ATOM 2490 CA GLU A 163 -5.137 13.176 -6.547 1.00 0.52 C ATOM 2491 C GLU A 163 -4.631 12.107 -7.511 1.00 0.51 C ATOM 2492 O GLU A 163 -4.897 12.167 -8.711 1.00 0.56 O ATOM 2493 CB GLU A 163 -4.067 14.245 -6.338 1.00 0.62 C ATOM 2494 CG GLU A 163 -4.596 15.517 -5.697 1.00 1.06 C ATOM 2495 CD GLU A 163 -5.505 16.307 -6.618 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -4.983 16.970 -7.541 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -6.734 16.288 -6.421 1.00 2.49 O ATOM 0 H GLU A 163 -4.966 12.907 -4.476 1.00 0.46 H new ATOM 0 HA GLU A 163 -6.020 13.638 -6.987 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -3.273 13.836 -5.713 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.619 14.492 -7.300 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -5.141 15.261 -4.789 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.756 16.144 -5.398 1.00 1.06 H new ATOM 2504 N MET A 164 -3.904 11.127 -6.988 1.00 0.49 N ATOM 2505 CA MET A 164 -3.432 10.017 -7.811 1.00 0.52 C ATOM 2506 C MET A 164 -4.593 9.101 -8.168 1.00 0.51 C ATOM 2507 O MET A 164 -4.695 8.622 -9.294 1.00 0.57 O ATOM 2508 CB MET A 164 -2.341 9.216 -7.093 1.00 0.53 C ATOM 2509 CG MET A 164 -1.033 9.966 -6.870 1.00 0.68 C ATOM 2510 SD MET A 164 -0.191 10.438 -8.398 1.00 0.87 S ATOM 2511 CE MET A 164 -1.058 11.942 -8.847 1.00 0.67 C ATOM 0 H MET A 164 -3.630 11.077 -6.007 1.00 0.49 H new ATOM 0 HA MET A 164 -3.004 10.434 -8.723 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.726 8.892 -6.126 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.132 8.316 -7.671 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.235 10.864 -6.286 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.365 9.343 -6.276 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.347 12.667 -9.244 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.809 11.717 -9.605 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.546 12.358 -7.965 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.476 8.880 -7.201 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.634 8.028 -7.376 1.00 0.51 C ATOM 2523 C ILE A 165 -7.519 8.524 -8.518 1.00 0.58 C ATOM 2524 O ILE A 165 -7.887 7.755 -9.410 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.438 7.965 -6.062 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.625 7.260 -4.975 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.761 7.269 -6.273 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.297 7.262 -3.619 1.00 0.50 C ATOM 0 H ILE A 165 -5.403 9.292 -6.271 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.288 7.027 -7.635 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.643 8.985 -5.736 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.443 6.229 -5.280 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.652 7.743 -4.890 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.310 7.237 -5.332 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.345 7.814 -7.015 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -8.585 6.252 -6.625 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -6.663 6.745 -2.898 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.454 8.290 -3.292 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.258 6.752 -3.688 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.844 9.815 -8.512 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.677 10.380 -9.560 1.00 0.72 C ATOM 2542 C LEU A 166 -7.931 10.444 -10.883 1.00 0.72 C ATOM 2543 O LEU A 166 -8.522 10.262 -11.950 1.00 0.81 O ATOM 2544 CB LEU A 166 -9.195 11.764 -9.185 1.00 0.82 C ATOM 2545 CG LEU A 166 -8.175 12.772 -8.643 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -7.526 13.556 -9.777 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.847 13.719 -7.664 1.00 1.48 C ATOM 0 H LEU A 166 -7.545 10.480 -7.799 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.534 9.716 -9.675 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -9.664 12.199 -10.067 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.978 11.640 -8.437 1.00 0.82 H new ATOM 0 HG LEU A 166 -7.392 12.220 -8.123 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -6.807 14.264 -9.365 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -7.013 12.867 -10.449 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -8.293 14.098 -10.330 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -8.114 14.431 -7.285 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -9.648 14.258 -8.170 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -9.262 13.149 -6.833 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.636 10.706 -10.808 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.788 10.697 -11.989 1.00 0.79 C ATOM 2561 C LEU A 167 -5.878 9.346 -12.678 1.00 0.87 C ATOM 2562 O LEU A 167 -5.831 9.257 -13.899 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.336 11.000 -11.619 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.361 11.019 -12.797 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.763 12.083 -13.804 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.941 11.255 -12.312 1.00 1.41 C ATOM 0 H LEU A 167 -6.148 10.928 -9.940 1.00 0.69 H new ATOM 0 HA LEU A 167 -6.136 11.473 -12.670 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -4.298 11.968 -11.120 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.997 10.256 -10.898 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.399 10.047 -13.289 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -3.058 12.082 -14.635 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.765 11.871 -14.177 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.755 13.061 -13.323 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -1.262 11.265 -13.165 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.888 12.213 -11.794 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.653 10.457 -11.628 1.00 1.41 H new ATOM 2578 N VAL A 168 -6.057 8.302 -11.883 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.133 6.953 -12.396 1.00 0.96 C ATOM 2580 C VAL A 168 -7.510 6.703 -12.996 1.00 1.01 C ATOM 2581 O VAL A 168 -7.640 6.046 -14.028 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.830 5.924 -11.290 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.201 4.527 -11.737 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.359 5.982 -10.914 1.00 1.14 C ATOM 0 H VAL A 168 -6.153 8.371 -10.870 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.380 6.837 -13.176 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.431 6.172 -10.415 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -5.978 3.818 -10.939 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.266 4.490 -11.968 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -5.627 4.265 -12.626 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.154 5.251 -10.132 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -3.750 5.756 -11.790 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -4.115 6.980 -10.551 1.00 1.14 H new