USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=25 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 19 HIS : no HD1:sc= -2.02! C(o=-3.7!,f=-8.2!) USER MOD Set 1.2: A 96 THR OG1 : rot -89:sc= -1.67 USER MOD Set 2.1: A 16 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-6.6!) USER MOD Set 2.2: A 95 GLN : amide:sc= 0 X(o=-1.2,f=-1.4) USER MOD Set 3.1: A 49 GLN : amide:sc= 0.41 X(o=0.84,f=0.7) USER MOD Set 3.2: A 58 THR OG1 : rot -92:sc= 0.432 USER MOD Set 4.1: A 31 SER OG : rot -50:sc= 1.01 USER MOD Set 4.2: A 155 LYS NZ :NH3+ 156:sc= 1.99 (180deg=-0.682) USER MOD Set 5.1: A 23 THR OG1 : rot -67:sc= 1.41 USER MOD Set 5.2: A 115 ASN : amide:sc= 0.601 K(o=2,f=-1.9!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -158:sc= -0.182 (180deg=-0.399) USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00821) USER MOD Single : A 22 THR OG1 : rot -36:sc= 0.177 USER MOD Single : A 30 HIS :FLIP no HE2:sc= 0.184 F(o=-0.68,f=0.18) USER MOD Single : A 48 TYR OH : rot 90:sc= -0.912 USER MOD Single : A 93 MET CE :methyl -105:sc= -2.52 (180deg=-4.94!) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.253 F(o=-1.7!,f=-0.25) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -109:sc= 0.705 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.27 F(o=-2.2!,f=-0.27) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 148:sc= -1.56 (180deg=-5.16!) USER MOD Single : A 123 ASN : amide:sc= 0.0743 K(o=0.074,f=-4.8!) USER MOD Single : A 128 MET CE :methyl -128:sc= -3.55! (180deg=-5.66!) USER MOD Single : A 129 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.2) USER MOD Single : A 132 MET CE :methyl 148:sc= -3.12! (180deg=-6.71!) 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) USER MOD Single : A 145 THR OG1 : rot -40:sc= -0.144 USER MOD Single : A 148 CYS SG : rot -100:sc= -1.96 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 37:sc= 1.1 USER MOD Single : A 153 LYS NZ :NH3+ 165:sc= -0.0293 (180deg=-0.268) USER MOD Single : A 154 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 160 HIS : no HD1:sc= -0.304 K(o=-0.3,f=-1) USER MOD Single : A 164 MET CE :methyl -140:sc= -0.358 (180deg=-2.18) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -14.344 3.190 -4.820 1.00 0.67 N ATOM 156 CA VAL A 11 -12.920 2.941 -4.806 1.00 0.60 C ATOM 157 C VAL A 11 -12.587 1.888 -3.752 1.00 0.56 C ATOM 158 O VAL A 11 -12.434 2.195 -2.567 1.00 0.74 O ATOM 159 CB VAL A 11 -12.157 4.257 -4.559 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.665 4.081 -4.737 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.671 5.336 -5.498 1.00 0.98 C ATOM 0 HA VAL A 11 -12.607 2.553 -5.775 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.333 4.557 -3.526 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.162 5.031 -4.554 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.300 3.335 -4.031 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -10.457 3.750 -5.754 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -12.128 6.264 -5.318 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -12.521 5.021 -6.531 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -13.734 5.498 -5.319 1.00 0.98 H new ATOM 171 N THR A 12 -12.508 0.640 -4.206 1.00 0.46 N ATOM 172 CA THR A 12 -12.301 -0.507 -3.333 1.00 0.45 C ATOM 173 C THR A 12 -10.937 -0.455 -2.652 1.00 0.39 C ATOM 174 O THR A 12 -9.897 -0.496 -3.311 1.00 0.43 O ATOM 175 CB THR A 12 -12.414 -1.819 -4.136 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.603 -1.797 -4.941 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.455 -3.020 -3.205 1.00 0.62 C ATOM 0 H THR A 12 -12.586 0.397 -5.194 1.00 0.46 H new ATOM 0 HA THR A 12 -13.074 -0.474 -2.565 1.00 0.45 H new ATOM 0 HB THR A 12 -11.537 -1.904 -4.778 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.669 -2.632 -5.450 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.535 -3.934 -3.793 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.542 -3.050 -2.610 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.317 -2.938 -2.543 1.00 0.62 H new ATOM 185 N ILE A 13 -10.946 -0.354 -1.330 1.00 0.39 N ATOM 186 CA ILE A 13 -9.715 -0.306 -0.561 1.00 0.38 C ATOM 187 C ILE A 13 -9.460 -1.635 0.136 1.00 0.37 C ATOM 188 O ILE A 13 -10.333 -2.164 0.820 1.00 0.51 O ATOM 189 CB ILE A 13 -9.748 0.819 0.495 1.00 0.50 C ATOM 190 CG1 ILE A 13 -9.943 2.174 -0.184 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.470 0.816 1.325 1.00 0.80 C ATOM 192 CD1 ILE A 13 -9.958 3.333 0.784 1.00 1.03 C ATOM 0 H ILE A 13 -11.796 -0.304 -0.768 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.908 -0.102 -1.265 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.589 0.640 1.165 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.144 2.327 -0.910 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -10.881 2.162 -0.740 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.514 1.617 2.063 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.369 -0.142 1.835 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.611 0.971 0.672 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -10.100 4.264 0.235 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -10.774 3.203 1.495 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -9.011 3.370 1.322 1.00 1.03 H new ATOM 204 N MET A 14 -8.266 -2.176 -0.052 1.00 0.31 N ATOM 205 CA MET A 14 -7.880 -3.426 0.605 1.00 0.35 C ATOM 206 C MET A 14 -6.437 -3.370 1.084 1.00 0.29 C ATOM 207 O MET A 14 -5.680 -2.475 0.712 1.00 0.46 O ATOM 208 CB MET A 14 -8.042 -4.634 -0.326 1.00 0.56 C ATOM 209 CG MET A 14 -9.470 -4.866 -0.803 1.00 0.75 C ATOM 210 SD MET A 14 -9.715 -6.505 -1.518 1.00 1.04 S ATOM 211 CE MET A 14 -9.087 -6.279 -3.176 1.00 0.77 C ATOM 0 H MET A 14 -7.546 -1.774 -0.652 1.00 0.31 H new ATOM 0 HA MET A 14 -8.547 -3.545 1.459 1.00 0.35 H new ATOM 0 HB2 MET A 14 -7.398 -4.498 -1.195 1.00 0.56 H new ATOM 0 HB3 MET A 14 -7.694 -5.528 0.192 1.00 0.56 H new ATOM 0 HG2 MET A 14 -10.154 -4.735 0.036 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.727 -4.110 -1.544 1.00 0.75 H new ATOM 0 HE1 MET A 14 -9.512 -7.038 -3.833 1.00 0.77 H new ATOM 0 HE2 MET A 14 -9.364 -5.289 -3.538 1.00 0.77 H new ATOM 0 HE3 MET A 14 -8.001 -6.372 -3.170 1.00 0.77 H new ATOM 221 N GLY A 15 -6.072 -4.325 1.926 1.00 0.34 N ATOM 222 CA GLY A 15 -4.709 -4.457 2.377 1.00 0.45 C ATOM 223 C GLY A 15 -4.620 -5.396 3.561 1.00 0.62 C ATOM 224 O GLY A 15 -4.801 -6.601 3.420 1.00 1.55 O ATOM 0 H GLY A 15 -6.712 -5.021 2.309 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -4.087 -4.831 1.564 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.317 -3.478 2.654 1.00 0.45 H new ATOM 228 N HIS A 16 -4.381 -4.833 4.725 1.00 0.51 N ATOM 229 CA HIS A 16 -4.294 -5.600 5.961 1.00 0.45 C ATOM 230 C HIS A 16 -4.594 -4.695 7.159 1.00 0.49 C ATOM 231 O HIS A 16 -4.511 -3.470 7.048 1.00 0.64 O ATOM 232 CB HIS A 16 -2.907 -6.260 6.093 1.00 0.43 C ATOM 233 CG HIS A 16 -2.631 -6.851 7.446 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.434 -7.831 7.974 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.655 -6.554 8.338 1.00 0.50 C ATOM 236 CE1 HIS A 16 -2.935 -8.110 9.163 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.857 -7.360 9.430 1.00 0.59 N ATOM 0 H HIS A 16 -4.241 -3.830 4.848 1.00 0.51 H new ATOM 0 HA HIS A 16 -5.038 -6.396 5.938 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.818 -7.044 5.342 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.141 -5.517 5.871 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -0.869 -5.823 8.213 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -3.344 -8.849 9.836 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.295 -7.384 10.281 1.00 0.59 H new ATOM 245 N VAL A 17 -4.952 -5.294 8.288 1.00 0.53 N ATOM 246 CA VAL A 17 -5.319 -4.541 9.484 1.00 0.67 C ATOM 247 C VAL A 17 -4.156 -3.684 9.992 1.00 0.64 C ATOM 248 O VAL A 17 -4.280 -2.459 10.101 1.00 0.78 O ATOM 249 CB VAL A 17 -5.785 -5.482 10.618 1.00 0.87 C ATOM 250 CG1 VAL A 17 -6.244 -4.682 11.830 1.00 1.55 C ATOM 251 CG2 VAL A 17 -6.894 -6.399 10.128 1.00 1.62 C ATOM 0 H VAL A 17 -4.997 -6.307 8.402 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.142 -3.886 9.198 1.00 0.67 H new ATOM 0 HB VAL A 17 -4.938 -6.098 10.920 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -6.567 -5.365 12.616 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -5.419 -4.072 12.197 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -7.075 -4.036 11.546 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -7.209 -7.054 10.940 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -7.741 -5.800 9.795 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -6.527 -7.002 9.297 1.00 1.62 H new ATOM 261 N ASP A 18 -3.021 -4.329 10.262 1.00 0.57 N ATOM 262 CA ASP A 18 -1.870 -3.669 10.898 1.00 0.61 C ATOM 263 C ASP A 18 -1.238 -2.612 10.002 1.00 0.56 C ATOM 264 O ASP A 18 -0.458 -1.786 10.471 1.00 0.69 O ATOM 265 CB ASP A 18 -0.806 -4.691 11.303 1.00 0.69 C ATOM 266 CG ASP A 18 -1.279 -5.613 12.402 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.333 -5.173 13.571 1.00 1.17 O ATOM 268 OD2 ASP A 18 -1.603 -6.780 12.103 1.00 1.78 O ATOM 0 H ASP A 18 -2.869 -5.315 10.050 1.00 0.57 H new ATOM 0 HA ASP A 18 -2.256 -3.172 11.788 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -0.525 -5.283 10.432 1.00 0.69 H new ATOM 0 HB3 ASP A 18 0.090 -4.166 11.634 1.00 0.69 H new ATOM 273 N HIS A 19 -1.569 -2.633 8.717 1.00 0.46 N ATOM 274 CA HIS A 19 -1.066 -1.630 7.794 1.00 0.48 C ATOM 275 C HIS A 19 -1.831 -0.324 7.960 1.00 0.58 C ATOM 276 O HIS A 19 -1.541 0.682 7.311 1.00 0.65 O ATOM 277 CB HIS A 19 -1.156 -2.139 6.359 1.00 0.46 C ATOM 278 CG HIS A 19 -0.178 -3.233 6.066 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.302 -4.034 4.958 1.00 0.60 N ATOM 280 CD2 HIS A 19 0.924 -3.608 6.763 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.722 -4.866 5.003 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.488 -4.648 6.076 1.00 0.48 N ATOM 0 H HIS A 19 -2.181 -3.331 8.294 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.017 -1.438 8.021 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -2.166 -2.502 6.170 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.982 -1.310 5.673 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.286 -3.170 7.682 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.917 -5.629 4.264 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.332 -5.159 6.334 1.00 0.48 H new ATOM 290 N GLY A 20 -2.817 -0.361 8.849 1.00 0.76 N ATOM 291 CA GLY A 20 -3.525 0.830 9.243 1.00 0.90 C ATOM 292 C GLY A 20 -4.400 1.397 8.150 1.00 0.81 C ATOM 293 O GLY A 20 -4.387 2.597 7.912 1.00 0.93 O ATOM 0 H GLY A 20 -3.139 -1.213 9.308 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -4.142 0.606 10.113 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.804 1.587 9.551 1.00 0.90 H new ATOM 297 N LYS A 21 -5.195 0.557 7.503 1.00 0.79 N ATOM 298 CA LYS A 21 -6.117 1.049 6.481 1.00 0.87 C ATOM 299 C LYS A 21 -7.239 1.833 7.145 1.00 0.89 C ATOM 300 O LYS A 21 -8.021 2.518 6.495 1.00 0.93 O ATOM 301 CB LYS A 21 -6.693 -0.091 5.637 1.00 1.09 C ATOM 302 CG LYS A 21 -7.561 -1.075 6.410 1.00 1.20 C ATOM 303 CD LYS A 21 -7.998 -2.241 5.531 1.00 1.39 C ATOM 304 CE LYS A 21 -8.859 -3.242 6.294 1.00 1.73 C ATOM 305 NZ LYS A 21 -10.202 -2.698 6.628 1.00 2.11 N ATOM 0 H LYS A 21 -5.224 -0.450 7.661 1.00 0.79 H new ATOM 0 HA LYS A 21 -5.561 1.701 5.808 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -7.284 0.337 4.827 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -5.869 -0.637 5.177 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -7.008 -1.453 7.270 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.440 -0.560 6.798 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.557 -1.861 4.676 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.117 -2.747 5.137 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -8.975 -4.146 5.697 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -8.348 -3.530 7.213 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -10.760 -3.427 7.116 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -10.097 -1.870 7.248 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -10.690 -2.416 5.754 1.00 2.11 H new ATOM 319 N THR A 22 -7.291 1.726 8.458 1.00 0.92 N ATOM 320 CA THR A 22 -8.260 2.448 9.254 1.00 1.00 C ATOM 321 C THR A 22 -7.792 3.893 9.495 1.00 0.99 C ATOM 322 O THR A 22 -8.521 4.712 10.053 1.00 1.03 O ATOM 323 CB THR A 22 -8.490 1.711 10.595 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.508 2.354 11.370 1.00 1.80 O ATOM 325 CG2 THR A 22 -7.198 1.630 11.396 1.00 1.65 C ATOM 0 H THR A 22 -6.662 1.136 9.002 1.00 0.92 H new ATOM 0 HA THR A 22 -9.205 2.489 8.712 1.00 1.00 H new ATOM 0 HB THR A 22 -8.822 0.699 10.362 1.00 1.10 H new ATOM 0 HG1 THR A 22 -9.450 3.324 11.245 1.00 1.80 H new ATOM 0 HG21 THR A 22 -7.384 1.108 12.335 1.00 1.65 H new ATOM 0 HG22 THR A 22 -6.447 1.087 10.822 1.00 1.65 H new ATOM 0 HG23 THR A 22 -6.837 2.637 11.606 1.00 1.65 H new ATOM 333 N THR A 23 -6.574 4.212 9.052 1.00 0.99 N ATOM 334 CA THR A 23 -6.045 5.558 9.228 1.00 1.02 C ATOM 335 C THR A 23 -6.514 6.475 8.106 1.00 0.96 C ATOM 336 O THR A 23 -6.723 7.663 8.323 1.00 0.96 O ATOM 337 CB THR A 23 -4.504 5.583 9.306 1.00 1.12 C ATOM 338 OG1 THR A 23 -3.937 5.107 8.082 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.004 4.736 10.466 1.00 1.41 C ATOM 0 H THR A 23 -5.946 3.564 8.576 1.00 0.99 H new ATOM 0 HA THR A 23 -6.432 5.919 10.181 1.00 1.02 H new ATOM 0 HB THR A 23 -4.193 6.615 9.469 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.140 4.154 7.976 1.00 1.77 H new ATOM 0 HG21 THR A 23 -2.915 4.770 10.499 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.408 5.125 11.401 1.00 1.41 H new ATOM 0 HG23 THR A 23 -4.330 3.705 10.331 1.00 1.41 H new ATOM 347 N LEU A 24 -6.692 5.925 6.906 1.00 0.96 N ATOM 348 CA LEU A 24 -7.271 6.695 5.812 1.00 0.96 C ATOM 349 C LEU A 24 -8.732 6.943 6.117 1.00 0.89 C ATOM 350 O LEU A 24 -9.250 8.013 5.847 1.00 0.91 O ATOM 351 CB LEU A 24 -7.065 5.986 4.459 1.00 1.06 C ATOM 352 CG LEU A 24 -7.636 4.570 4.331 1.00 0.88 C ATOM 353 CD1 LEU A 24 -9.129 4.613 4.041 1.00 1.78 C ATOM 354 CD2 LEU A 24 -6.901 3.794 3.247 1.00 1.57 C ATOM 0 H LEU A 24 -6.447 4.963 6.671 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.764 7.656 5.725 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -7.510 6.604 3.679 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -5.995 5.941 4.258 1.00 1.06 H new ATOM 0 HG LEU A 24 -7.490 4.056 5.281 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -9.512 3.596 3.954 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -9.643 5.126 4.854 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -9.303 5.147 3.107 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -7.320 2.791 3.170 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -7.013 4.308 2.292 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -5.843 3.727 3.501 1.00 1.57 H new ATOM 366 N LEU A 25 -9.373 5.970 6.754 1.00 0.88 N ATOM 367 CA LEU A 25 -10.750 6.130 7.178 1.00 0.91 C ATOM 368 C LEU A 25 -10.839 7.358 8.080 1.00 0.89 C ATOM 369 O LEU A 25 -11.771 8.137 7.987 1.00 0.92 O ATOM 370 CB LEU A 25 -11.224 4.869 7.923 1.00 1.02 C ATOM 371 CG LEU A 25 -12.715 4.496 7.780 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.623 5.634 8.221 1.00 1.76 C ATOM 373 CD2 LEU A 25 -13.033 4.081 6.350 1.00 1.96 C ATOM 0 H LEU A 25 -8.959 5.067 6.985 1.00 0.88 H new ATOM 0 HA LEU A 25 -11.396 6.268 6.311 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -10.628 4.025 7.576 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.006 4.999 8.983 1.00 1.02 H new ATOM 0 HG LEU A 25 -12.904 3.648 8.438 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.665 5.334 8.106 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.427 5.871 9.267 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -13.429 6.513 7.607 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.089 3.822 6.272 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -12.811 4.906 5.674 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -12.427 3.217 6.079 1.00 1.96 H new ATOM 385 N ASP A 26 -9.827 7.541 8.920 1.00 0.91 N ATOM 386 CA ASP A 26 -9.771 8.687 9.822 1.00 0.96 C ATOM 387 C ASP A 26 -9.302 9.957 9.114 1.00 0.92 C ATOM 388 O ASP A 26 -9.975 10.990 9.164 1.00 0.95 O ATOM 389 CB ASP A 26 -8.847 8.408 10.990 1.00 1.05 C ATOM 390 CG ASP A 26 -8.699 9.618 11.891 1.00 1.21 C ATOM 391 OD1 ASP A 26 -9.676 9.956 12.591 1.00 1.35 O ATOM 392 OD2 ASP A 26 -7.619 10.242 11.886 1.00 1.38 O ATOM 0 H ASP A 26 -9.031 6.908 8.996 1.00 0.91 H new ATOM 0 HA ASP A 26 -10.788 8.847 10.181 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -9.235 7.569 11.568 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -7.867 8.111 10.616 1.00 1.05 H new ATOM 397 N ALA A 27 -8.161 9.869 8.440 1.00 0.89 N ATOM 398 CA ALA A 27 -7.499 11.042 7.871 1.00 0.89 C ATOM 399 C ALA A 27 -8.308 11.633 6.738 1.00 0.85 C ATOM 400 O ALA A 27 -8.324 12.848 6.542 1.00 0.90 O ATOM 401 CB ALA A 27 -6.103 10.685 7.388 1.00 0.91 C ATOM 0 H ALA A 27 -7.670 8.991 8.272 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.419 11.792 8.658 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.626 11.570 6.968 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.511 10.317 8.226 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.169 9.911 6.623 1.00 0.91 H new ATOM 407 N ILE A 28 -8.987 10.776 6.002 1.00 0.82 N ATOM 408 CA ILE A 28 -9.817 11.218 4.904 1.00 0.83 C ATOM 409 C ILE A 28 -11.069 11.922 5.434 1.00 0.88 C ATOM 410 O ILE A 28 -11.590 12.837 4.800 1.00 0.94 O ATOM 411 CB ILE A 28 -10.192 10.041 3.985 1.00 0.86 C ATOM 412 CG1 ILE A 28 -8.940 9.446 3.340 1.00 0.99 C ATOM 413 CG2 ILE A 28 -11.148 10.495 2.920 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.205 8.181 2.549 1.00 0.95 C ATOM 0 H ILE A 28 -8.979 9.766 6.147 1.00 0.82 H new ATOM 0 HA ILE A 28 -9.247 11.932 4.309 1.00 0.83 H new ATOM 0 HB ILE A 28 -10.674 9.273 4.590 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -8.494 10.190 2.680 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.208 9.231 4.119 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.404 9.652 2.278 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -12.053 10.885 3.386 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -10.682 11.278 2.322 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -8.271 7.817 2.121 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -9.623 7.420 3.208 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -9.912 8.394 1.748 1.00 0.95 H new ATOM 426 N ARG A 29 -11.530 11.525 6.620 1.00 0.93 N ATOM 427 CA ARG A 29 -12.625 12.241 7.273 1.00 1.04 C ATOM 428 C ARG A 29 -12.155 13.632 7.654 1.00 1.08 C ATOM 429 O ARG A 29 -12.873 14.616 7.496 1.00 1.17 O ATOM 430 CB ARG A 29 -13.106 11.527 8.538 1.00 1.16 C ATOM 431 CG ARG A 29 -13.694 10.162 8.285 1.00 1.33 C ATOM 432 CD ARG A 29 -14.111 9.482 9.585 1.00 1.58 C ATOM 433 NE ARG A 29 -13.034 9.475 10.587 1.00 2.13 N ATOM 434 CZ ARG A 29 -13.134 8.893 11.791 1.00 2.85 C ATOM 435 NH1 ARG A 29 -14.196 8.164 12.103 1.00 3.29 N ATOM 436 NH2 ARG A 29 -12.148 8.996 12.673 1.00 3.56 N ATOM 0 H ARG A 29 -11.170 10.725 7.141 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.456 12.285 6.569 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -12.268 11.428 9.228 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -13.854 12.148 9.031 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.559 10.254 7.628 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -12.964 9.541 7.766 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -14.982 9.993 9.996 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -14.414 8.456 9.374 1.00 1.58 H new ATOM 0 HE ARG A 29 -12.158 9.941 10.352 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -14.948 8.041 11.424 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -14.262 7.726 13.022 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -11.306 9.521 12.437 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -12.232 8.550 13.587 1.00 3.56 H new ATOM 450 N HIS A 30 -10.921 13.694 8.146 1.00 1.05 N ATOM 451 CA HIS A 30 -10.294 14.956 8.514 1.00 1.13 C ATOM 452 C HIS A 30 -10.059 15.817 7.281 1.00 1.15 C ATOM 453 O HIS A 30 -9.769 17.011 7.382 1.00 1.32 O ATOM 454 CB HIS A 30 -8.980 14.707 9.230 1.00 1.23 C ATOM 455 CG HIS A 30 -9.131 14.389 10.667 1.00 1.70 C ATOM 456 ND1 HIS A 30 -9.579 13.283 11.243 1.00 2.44 N flip ATOM 457 CD2 HIS A 30 -8.785 15.245 11.687 1.00 2.01 C flip ATOM 458 CE1 HIS A 30 -9.511 13.459 12.602 1.00 2.88 C flip ATOM 459 NE2 HIS A 30 -9.025 14.659 12.843 1.00 2.60 N flip ATOM 0 H HIS A 30 -10.332 12.875 8.299 1.00 1.05 H new ATOM 0 HA HIS A 30 -10.967 15.486 9.188 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -8.460 13.885 8.739 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -8.349 15.590 9.128 1.00 1.23 H new ATOM 0 HD1 HIS A 30 -9.915 12.449 10.762 1.00 2.44 H new ATOM 0 HD2 HIS A 30 -8.381 16.239 11.561 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -9.806 12.736 13.348 1.00 2.88 H new ATOM 468 N SER A 31 -10.203 15.205 6.112 1.00 1.07 N ATOM 469 CA SER A 31 -9.976 15.899 4.858 1.00 1.19 C ATOM 470 C SER A 31 -11.244 16.640 4.427 1.00 1.32 C ATOM 471 O SER A 31 -11.246 17.344 3.414 1.00 1.76 O ATOM 472 CB SER A 31 -9.525 14.914 3.775 1.00 1.15 C ATOM 473 OG SER A 31 -8.518 15.480 2.952 1.00 1.50 O ATOM 0 H SER A 31 -10.477 14.228 6.010 1.00 1.07 H new ATOM 0 HA SER A 31 -9.182 16.632 5.001 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.148 14.004 4.242 1.00 1.15 H new ATOM 0 HB3 SER A 31 -10.380 14.627 3.163 1.00 1.15 H new ATOM 0 HG SER A 31 -8.807 16.364 2.642 1.00 1.50 H new ATOM 706 N TYR A 48 -18.211 6.333 3.328 1.00 1.05 N ATOM 707 CA TYR A 48 -18.316 7.751 3.038 1.00 1.04 C ATOM 708 C TYR A 48 -17.871 8.074 1.622 1.00 0.91 C ATOM 709 O TYR A 48 -16.891 7.528 1.116 1.00 0.86 O ATOM 710 CB TYR A 48 -17.508 8.574 4.051 1.00 1.16 C ATOM 711 CG TYR A 48 -16.044 8.205 4.132 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.651 6.922 4.476 1.00 1.34 C ATOM 713 CD2 TYR A 48 -15.060 9.142 3.868 1.00 1.31 C ATOM 714 CE1 TYR A 48 -14.318 6.579 4.550 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.725 8.808 3.940 1.00 1.73 C ATOM 716 CZ TYR A 48 -13.358 7.526 4.284 1.00 1.96 C ATOM 717 OH TYR A 48 -12.025 7.191 4.355 1.00 2.54 O ATOM 0 HA TYR A 48 -19.369 8.021 3.124 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.590 9.629 3.791 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.955 8.453 5.038 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -16.403 6.177 4.690 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -15.343 10.150 3.602 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -14.030 5.573 4.815 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.969 9.549 3.727 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.721 6.872 3.480 1.00 2.54 H new ATOM 727 N GLN A 49 -18.619 8.954 0.986 1.00 1.01 N ATOM 728 CA GLN A 49 -18.269 9.443 -0.334 1.00 1.00 C ATOM 729 C GLN A 49 -17.654 10.827 -0.200 1.00 1.11 C ATOM 730 O GLN A 49 -18.257 11.727 0.388 1.00 1.34 O ATOM 731 CB GLN A 49 -19.511 9.478 -1.225 1.00 1.16 C ATOM 732 CG GLN A 49 -20.215 8.134 -1.306 1.00 1.18 C ATOM 733 CD GLN A 49 -21.452 8.162 -2.180 1.00 1.42 C ATOM 734 OE1 GLN A 49 -21.383 7.921 -3.382 1.00 1.80 O ATOM 735 NE2 GLN A 49 -22.596 8.436 -1.574 1.00 1.96 N ATOM 0 H GLN A 49 -19.480 9.348 1.365 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.543 8.776 -0.799 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.206 10.225 -0.842 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.224 9.794 -2.228 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.520 7.390 -1.694 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.494 7.816 -0.302 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -22.609 8.631 -0.573 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -23.465 8.453 -2.108 1.00 1.96 H new ATOM 744 N VAL A 50 -16.445 10.988 -0.706 1.00 1.04 N ATOM 745 CA VAL A 50 -15.721 12.232 -0.550 1.00 1.18 C ATOM 746 C VAL A 50 -15.854 13.122 -1.770 1.00 1.28 C ATOM 747 O VAL A 50 -15.894 12.645 -2.906 1.00 1.38 O ATOM 748 CB VAL A 50 -14.234 11.974 -0.284 1.00 1.24 C ATOM 749 CG1 VAL A 50 -14.039 11.421 1.110 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.656 11.038 -1.330 1.00 1.59 C ATOM 0 H VAL A 50 -15.944 10.270 -1.229 1.00 1.04 H new ATOM 0 HA VAL A 50 -16.164 12.742 0.305 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.698 12.921 -0.353 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -12.978 11.242 1.285 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -14.412 12.138 1.841 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -14.586 10.483 1.209 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.600 10.868 -1.122 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -14.189 10.087 -1.302 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.764 11.485 -2.318 1.00 1.59 H new ATOM 860 N ILE A 57 -16.016 9.758 -5.413 1.00 1.14 N ATOM 861 CA ILE A 57 -15.173 8.730 -4.812 1.00 0.88 C ATOM 862 C ILE A 57 -15.870 8.119 -3.603 1.00 0.85 C ATOM 863 O ILE A 57 -15.862 8.690 -2.507 1.00 0.97 O ATOM 864 CB ILE A 57 -13.802 9.285 -4.379 1.00 0.80 C ATOM 865 CG1 ILE A 57 -13.083 9.934 -5.567 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.956 8.168 -3.785 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.734 10.526 -5.212 1.00 0.86 C ATOM 0 HA ILE A 57 -15.006 7.968 -5.573 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.957 10.051 -3.619 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.948 9.188 -6.350 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.717 10.719 -5.980 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.988 8.567 -3.481 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.465 7.749 -2.917 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.808 7.387 -4.531 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -11.285 10.967 -6.102 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.863 11.296 -4.451 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -11.082 9.742 -4.827 1.00 0.86 H new ATOM 879 N THR A 58 -16.487 6.972 -3.812 1.00 0.80 N ATOM 880 CA THR A 58 -17.147 6.260 -2.737 1.00 0.80 C ATOM 881 C THR A 58 -16.149 5.357 -2.015 1.00 0.73 C ATOM 882 O THR A 58 -15.667 4.378 -2.585 1.00 0.85 O ATOM 883 CB THR A 58 -18.310 5.406 -3.280 1.00 0.88 C ATOM 884 OG1 THR A 58 -19.125 6.191 -4.164 1.00 1.11 O ATOM 885 CG2 THR A 58 -19.168 4.864 -2.144 1.00 1.28 C ATOM 0 H THR A 58 -16.544 6.512 -4.721 1.00 0.80 H new ATOM 0 HA THR A 58 -17.546 6.995 -2.038 1.00 0.80 H new ATOM 0 HB THR A 58 -17.884 4.564 -3.825 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.852 6.607 -3.656 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.981 4.265 -2.556 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.556 4.244 -1.490 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.582 5.695 -1.573 1.00 1.28 H new ATOM 893 N PHE A 59 -15.823 5.695 -0.774 1.00 0.65 N ATOM 894 CA PHE A 59 -14.909 4.879 0.013 1.00 0.64 C ATOM 895 C PHE A 59 -15.685 3.881 0.858 1.00 0.73 C ATOM 896 O PHE A 59 -16.634 4.249 1.555 1.00 0.83 O ATOM 897 CB PHE A 59 -14.027 5.746 0.914 1.00 0.64 C ATOM 898 CG PHE A 59 -12.927 6.467 0.187 1.00 0.60 C ATOM 899 CD1 PHE A 59 -11.974 5.765 -0.531 1.00 0.75 C ATOM 900 CD2 PHE A 59 -12.853 7.851 0.211 1.00 0.80 C ATOM 901 CE1 PHE A 59 -10.970 6.428 -1.208 1.00 0.79 C ATOM 902 CE2 PHE A 59 -11.850 8.519 -0.464 1.00 0.84 C ATOM 903 CZ PHE A 59 -10.879 7.791 -1.146 1.00 0.70 C ATOM 0 H PHE A 59 -16.175 6.523 -0.294 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.264 4.339 -0.680 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.654 6.479 1.421 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.585 5.116 1.686 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -12.016 4.686 -0.562 1.00 0.75 H new ATOM 0 HD2 PHE A 59 -13.589 8.414 0.765 1.00 0.80 H new ATOM 0 HE1 PHE A 59 -10.253 5.867 -1.789 1.00 0.79 H new ATOM 0 HE2 PHE A 59 -11.819 9.599 -0.463 1.00 0.84 H new ATOM 0 HZ PHE A 59 -10.056 8.301 -1.625 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.339 -0.361 -9.027 1.00 0.74 N ATOM 1222 CA ILE A 81 -10.106 0.210 -8.498 1.00 0.55 C ATOM 1223 C ILE A 81 -9.634 -0.582 -7.284 1.00 0.47 C ATOM 1224 O ILE A 81 -10.350 -0.667 -6.288 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.329 1.689 -8.081 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.366 2.602 -9.306 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -9.254 2.153 -7.109 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.005 2.829 -9.926 1.00 0.73 C ATOM 0 HA ILE A 81 -9.349 0.164 -9.281 1.00 0.55 H new ATOM 0 HB ILE A 81 -11.294 1.748 -7.577 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.030 2.168 -10.054 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.792 3.564 -9.021 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -9.436 3.192 -6.834 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -9.280 1.531 -6.214 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.275 2.068 -7.581 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.104 3.486 -10.790 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.344 3.291 -9.193 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.585 1.874 -10.242 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.442 -1.171 -7.349 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.925 -1.881 -6.210 1.00 0.30 C ATOM 1242 C VAL A 82 -6.930 -1.034 -5.438 1.00 0.25 C ATOM 1243 O VAL A 82 -5.751 -0.971 -5.791 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.231 -3.178 -6.624 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.813 -3.938 -5.389 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.135 -4.021 -7.508 1.00 1.19 C ATOM 0 H VAL A 82 -7.835 -1.165 -8.168 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.782 -2.113 -5.577 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.343 -2.937 -7.208 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.318 -4.864 -5.682 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.126 -3.329 -4.802 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.693 -4.171 -4.790 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -7.617 -4.938 -7.788 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.046 -4.271 -6.964 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.391 -3.460 -8.407 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.396 -0.376 -4.394 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.492 0.297 -3.490 1.00 0.25 C ATOM 1258 C ILE A 83 -5.805 -0.748 -2.646 1.00 0.27 C ATOM 1259 O ILE A 83 -6.449 -1.482 -1.904 1.00 0.45 O ATOM 1260 CB ILE A 83 -7.208 1.284 -2.544 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -8.011 2.320 -3.325 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -6.202 1.969 -1.627 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -7.166 3.371 -4.012 1.00 1.32 C ATOM 0 H ILE A 83 -8.384 -0.295 -4.155 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.790 0.871 -4.095 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.907 0.713 -1.933 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.613 1.807 -4.075 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.704 2.815 -2.644 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.724 2.661 -0.967 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.684 1.218 -1.030 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.477 2.518 -2.228 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -7.814 4.068 -4.544 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.584 3.913 -3.267 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.491 2.890 -4.720 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.513 -0.824 -2.780 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.742 -1.816 -2.066 1.00 0.27 C ATOM 1277 C LEU A 84 -2.878 -1.145 -0.994 1.00 0.27 C ATOM 1278 O LEU A 84 -1.784 -0.664 -1.275 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.894 -2.602 -3.070 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.303 -3.910 -2.553 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -1.043 -3.647 -1.753 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -3.331 -4.652 -1.714 1.00 1.33 C ATOM 0 H LEU A 84 -3.962 -0.209 -3.380 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.407 -2.512 -1.554 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.508 -2.822 -3.943 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.077 -1.963 -3.407 1.00 0.35 H new ATOM 0 HG LEU A 84 -2.036 -4.535 -3.405 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.637 -4.592 -1.393 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -0.306 -3.153 -2.387 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -1.279 -3.006 -0.903 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.899 -5.584 -1.350 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.624 -4.033 -0.866 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -4.208 -4.872 -2.323 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.368 -1.112 0.236 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.656 -0.441 1.316 1.00 0.28 C ATOM 1296 C VAL A 85 -1.615 -1.358 1.950 1.00 0.27 C ATOM 1297 O VAL A 85 -1.904 -2.497 2.309 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.615 0.069 2.414 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -2.846 0.819 3.498 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -4.700 0.952 1.813 1.00 1.20 C ATOM 0 H VAL A 85 -4.252 -1.540 0.512 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.156 0.416 0.864 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.095 -0.794 2.875 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.541 1.169 4.261 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -2.114 0.152 3.953 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.333 1.673 3.055 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -5.365 1.301 2.603 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -4.240 1.809 1.321 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -5.273 0.379 1.084 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.407 -0.835 2.080 1.00 0.25 N ATOM 1311 CA VAL A 86 0.692 -1.528 2.733 1.00 0.27 C ATOM 1312 C VAL A 86 1.289 -0.605 3.782 1.00 0.24 C ATOM 1313 O VAL A 86 0.676 0.398 4.146 1.00 0.26 O ATOM 1314 CB VAL A 86 1.798 -1.931 1.734 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.280 -2.942 0.730 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.356 -0.709 1.026 1.00 0.95 C ATOM 0 H VAL A 86 -0.159 0.091 1.732 1.00 0.25 H new ATOM 0 HA VAL A 86 0.300 -2.440 3.183 1.00 0.27 H new ATOM 0 HB VAL A 86 2.606 -2.398 2.297 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.078 -3.209 0.038 1.00 1.12 H new ATOM 0 HG12 VAL A 86 0.941 -3.835 1.255 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.448 -2.510 0.174 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.134 -1.017 0.327 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.556 -0.207 0.481 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.779 -0.024 1.761 1.00 0.95 H new ATOM 1326 N ALA A 87 2.476 -0.917 4.262 1.00 0.28 N ATOM 1327 CA ALA A 87 3.125 -0.045 5.218 1.00 0.32 C ATOM 1328 C ALA A 87 4.623 0.042 4.982 1.00 0.46 C ATOM 1329 O ALA A 87 5.239 -0.905 4.495 1.00 0.75 O ATOM 1330 CB ALA A 87 2.819 -0.488 6.633 1.00 0.42 C ATOM 0 H ALA A 87 3.003 -1.753 4.011 1.00 0.28 H new ATOM 0 HA ALA A 87 2.723 0.958 5.076 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.315 0.179 7.338 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.742 -0.456 6.799 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.179 -1.506 6.781 1.00 0.42 H new ATOM 1336 N ALA A 88 5.167 1.208 5.331 1.00 0.37 N ATOM 1337 CA ALA A 88 6.595 1.534 5.214 1.00 0.59 C ATOM 1338 C ALA A 88 7.520 0.337 5.404 1.00 0.53 C ATOM 1339 O ALA A 88 8.240 -0.055 4.488 1.00 1.14 O ATOM 1340 CB ALA A 88 6.945 2.582 6.252 1.00 1.18 C ATOM 0 H ALA A 88 4.614 1.975 5.714 1.00 0.37 H new ATOM 0 HA ALA A 88 6.749 1.895 4.197 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.003 2.832 6.174 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.347 3.477 6.081 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.737 2.191 7.248 1.00 1.18 H new ATOM 1346 N ASP A 89 7.507 -0.217 6.604 1.00 0.56 N ATOM 1347 CA ASP A 89 8.494 -1.210 6.998 1.00 0.93 C ATOM 1348 C ASP A 89 7.992 -2.637 6.801 1.00 0.85 C ATOM 1349 O ASP A 89 8.789 -3.574 6.727 1.00 1.24 O ATOM 1350 CB ASP A 89 8.869 -1.004 8.466 1.00 1.44 C ATOM 1351 CG ASP A 89 7.691 -1.217 9.397 1.00 1.68 C ATOM 1352 OD1 ASP A 89 6.710 -0.453 9.308 1.00 1.90 O ATOM 1353 OD2 ASP A 89 7.747 -2.153 10.228 1.00 2.01 O ATOM 0 H ASP A 89 6.821 0.005 7.326 1.00 0.56 H new ATOM 0 HA ASP A 89 9.366 -1.075 6.358 1.00 0.93 H new ATOM 0 HB2 ASP A 89 9.670 -1.693 8.734 1.00 1.44 H new ATOM 0 HB3 ASP A 89 9.258 0.005 8.601 1.00 1.44 H new ATOM 1358 N ASP A 90 6.680 -2.818 6.716 1.00 0.48 N ATOM 1359 CA ASP A 90 6.124 -4.165 6.656 1.00 0.46 C ATOM 1360 C ASP A 90 6.013 -4.661 5.224 1.00 0.45 C ATOM 1361 O ASP A 90 6.238 -5.838 4.945 1.00 0.69 O ATOM 1362 CB ASP A 90 4.752 -4.237 7.320 1.00 0.52 C ATOM 1363 CG ASP A 90 4.349 -5.665 7.624 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.858 -6.228 8.618 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.530 -6.227 6.871 1.00 1.09 O ATOM 0 H ASP A 90 5.992 -2.066 6.687 1.00 0.48 H new ATOM 0 HA ASP A 90 6.815 -4.808 7.201 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.764 -3.658 8.244 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.008 -3.780 6.667 1.00 0.52 H new ATOM 1370 N GLY A 91 5.673 -3.756 4.321 1.00 0.36 N ATOM 1371 CA GLY A 91 5.479 -4.134 2.940 1.00 0.36 C ATOM 1372 C GLY A 91 4.096 -4.695 2.701 1.00 0.35 C ATOM 1373 O GLY A 91 3.127 -4.240 3.304 1.00 0.52 O ATOM 0 H GLY A 91 5.528 -2.766 4.521 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.635 -3.265 2.300 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.226 -4.876 2.658 1.00 0.36 H new ATOM 1377 N VAL A 92 4.008 -5.674 1.820 1.00 0.38 N ATOM 1378 CA VAL A 92 2.764 -6.345 1.522 1.00 0.37 C ATOM 1379 C VAL A 92 2.722 -7.685 2.263 1.00 0.36 C ATOM 1380 O VAL A 92 3.388 -8.648 1.881 1.00 0.47 O ATOM 1381 CB VAL A 92 2.622 -6.530 -0.008 1.00 0.47 C ATOM 1382 CG1 VAL A 92 3.870 -7.153 -0.613 1.00 1.08 C ATOM 1383 CG2 VAL A 92 1.413 -7.359 -0.341 1.00 1.06 C ATOM 0 H VAL A 92 4.805 -6.026 1.289 1.00 0.38 H new ATOM 0 HA VAL A 92 1.921 -5.743 1.861 1.00 0.37 H new ATOM 0 HB VAL A 92 2.494 -5.539 -0.443 1.00 0.47 H new ATOM 0 HG11 VAL A 92 3.735 -7.268 -1.688 1.00 1.08 H new ATOM 0 HG12 VAL A 92 4.728 -6.508 -0.422 1.00 1.08 H new ATOM 0 HG13 VAL A 92 4.044 -8.130 -0.163 1.00 1.08 H new ATOM 0 HG21 VAL A 92 1.337 -7.473 -1.422 1.00 1.06 H new ATOM 0 HG22 VAL A 92 1.507 -8.341 0.122 1.00 1.06 H new ATOM 0 HG23 VAL A 92 0.518 -6.864 0.035 1.00 1.06 H new ATOM 1393 N MET A 93 1.974 -7.725 3.356 1.00 0.29 N ATOM 1394 CA MET A 93 1.916 -8.909 4.202 1.00 0.31 C ATOM 1395 C MET A 93 0.900 -9.899 3.629 1.00 0.31 C ATOM 1396 O MET A 93 0.191 -9.558 2.684 1.00 0.31 O ATOM 1397 CB MET A 93 1.571 -8.496 5.637 1.00 0.36 C ATOM 1398 CG MET A 93 0.101 -8.212 5.886 1.00 0.67 C ATOM 1399 SD MET A 93 -0.776 -9.649 6.519 1.00 1.32 S ATOM 1400 CE MET A 93 0.291 -10.076 7.891 1.00 0.65 C ATOM 0 H MET A 93 1.397 -6.949 3.679 1.00 0.29 H new ATOM 0 HA MET A 93 2.886 -9.406 4.224 1.00 0.31 H new ATOM 0 HB2 MET A 93 1.893 -9.287 6.314 1.00 0.36 H new ATOM 0 HB3 MET A 93 2.146 -7.606 5.891 1.00 0.36 H new ATOM 0 HG2 MET A 93 0.007 -7.390 6.596 1.00 0.67 H new ATOM 0 HG3 MET A 93 -0.366 -7.885 4.957 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.881 -10.955 7.633 1.00 0.65 H new ATOM 0 HE2 MET A 93 0.958 -9.241 8.107 1.00 0.65 H new ATOM 0 HE3 MET A 93 -0.316 -10.292 8.770 1.00 0.65 H new ATOM 1410 N PRO A 94 0.858 -11.146 4.149 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.098 -12.177 3.735 1.00 0.42 C ATOM 1412 C PRO A 94 -1.455 -11.651 3.259 1.00 0.39 C ATOM 1413 O PRO A 94 -1.861 -11.926 2.130 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.249 -12.992 5.011 1.00 0.52 C ATOM 1415 CG PRO A 94 1.108 -12.959 5.636 1.00 0.61 C ATOM 1416 CD PRO A 94 1.781 -11.684 5.171 1.00 0.46 C ATOM 0 HA PRO A 94 0.260 -12.726 2.864 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.001 -12.560 5.671 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.562 -14.013 4.795 1.00 0.52 H new ATOM 0 HG2 PRO A 94 1.032 -12.980 6.723 1.00 0.61 H new ATOM 0 HG3 PRO A 94 1.690 -13.832 5.340 1.00 0.61 H new ATOM 0 HD2 PRO A 94 1.919 -10.982 5.994 1.00 0.46 H new ATOM 0 HD3 PRO A 94 2.768 -11.883 4.753 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.141 -10.876 4.093 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.479 -10.414 3.768 1.00 0.43 C ATOM 1426 C GLN A 95 -3.445 -9.394 2.639 1.00 0.36 C ATOM 1427 O GLN A 95 -4.339 -9.368 1.792 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.168 -9.836 5.004 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.172 -10.802 6.170 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.429 -10.721 7.012 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.042 -9.660 7.148 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -5.836 -11.854 7.563 1.00 1.47 N ATOM 0 H GLN A 95 -1.790 -10.557 4.996 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.058 -11.272 3.427 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.664 -8.916 5.300 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.195 -9.570 4.753 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -4.062 -11.818 5.791 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.307 -10.602 6.802 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.299 -12.710 7.425 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -6.687 -11.871 8.125 1.00 1.47 H new ATOM 1441 N THR A 96 -2.396 -8.582 2.611 1.00 0.33 N ATOM 1442 CA THR A 96 -2.202 -7.616 1.549 1.00 0.31 C ATOM 1443 C THR A 96 -2.013 -8.341 0.211 1.00 0.29 C ATOM 1444 O THR A 96 -2.414 -7.857 -0.849 1.00 0.34 O ATOM 1445 CB THR A 96 -0.984 -6.743 1.855 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.871 -6.573 3.273 1.00 0.37 O ATOM 1447 CG2 THR A 96 -1.120 -5.384 1.200 1.00 0.46 C ATOM 0 H THR A 96 -1.663 -8.578 3.320 1.00 0.33 H new ATOM 0 HA THR A 96 -3.083 -6.978 1.481 1.00 0.31 H new ATOM 0 HB THR A 96 -0.094 -7.234 1.461 1.00 0.34 H new ATOM 0 HG1 THR A 96 -1.387 -5.787 3.550 1.00 0.37 H new ATOM 0 HG21 THR A 96 -0.243 -4.779 1.431 1.00 0.46 H new ATOM 0 HG22 THR A 96 -1.202 -5.507 0.120 1.00 0.46 H new ATOM 0 HG23 THR A 96 -2.013 -4.886 1.577 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.425 -9.527 0.286 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.186 -10.352 -0.874 1.00 0.39 C ATOM 1457 C VAL A 97 -2.452 -11.076 -1.299 1.00 0.34 C ATOM 1458 O VAL A 97 -2.787 -11.102 -2.478 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.102 -11.392 -0.567 1.00 0.60 C ATOM 1460 CG1 VAL A 97 0.026 -12.389 -1.696 1.00 1.00 C ATOM 1461 CG2 VAL A 97 1.216 -10.707 -0.310 1.00 1.05 C ATOM 0 H VAL A 97 -1.101 -9.940 1.161 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.859 -9.700 -1.684 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.393 -11.939 0.330 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.801 -13.116 -1.454 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -0.924 -12.905 -1.835 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.293 -11.866 -2.614 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.979 -11.455 -0.093 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.508 -10.137 -1.192 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.116 -10.033 0.541 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.156 -11.656 -0.332 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.365 -12.425 -0.612 1.00 0.40 C ATOM 1473 C GLU A 98 -5.452 -11.540 -1.202 1.00 0.34 C ATOM 1474 O GLU A 98 -6.394 -12.024 -1.832 1.00 0.45 O ATOM 1475 CB GLU A 98 -4.872 -13.111 0.654 1.00 0.54 C ATOM 1476 CG GLU A 98 -3.879 -14.105 1.230 1.00 0.72 C ATOM 1477 CD GLU A 98 -4.452 -14.913 2.374 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -4.351 -14.456 3.533 1.00 1.62 O ATOM 1479 OE2 GLU A 98 -5.012 -16.004 2.122 1.00 1.55 O ATOM 0 H GLU A 98 -2.909 -11.608 0.657 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.111 -13.190 -1.346 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.097 -12.354 1.405 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -5.806 -13.627 0.432 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -3.552 -14.782 0.441 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -2.996 -13.569 1.577 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.308 -10.244 -1.006 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.233 -9.283 -1.573 1.00 0.27 C ATOM 1488 C ALA A 99 -5.847 -8.991 -3.015 1.00 0.25 C ATOM 1489 O ALA A 99 -6.701 -8.907 -3.885 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.252 -8.007 -0.748 1.00 0.31 C ATOM 0 H ALA A 99 -4.555 -9.831 -0.455 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.238 -9.704 -1.557 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.952 -7.298 -1.190 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.563 -8.237 0.271 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.254 -7.569 -0.732 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.548 -8.865 -3.258 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.026 -8.659 -4.605 1.00 0.24 C ATOM 1498 C ILE A 100 -4.184 -9.922 -5.446 1.00 0.28 C ATOM 1499 O ILE A 100 -4.636 -9.861 -6.581 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.548 -8.229 -4.541 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.437 -6.718 -4.726 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.681 -8.970 -5.552 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -1.026 -6.197 -4.612 1.00 0.38 C ATOM 0 H ILE A 100 -3.831 -8.902 -2.534 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.600 -7.864 -5.081 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.169 -8.497 -3.555 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.836 -6.450 -5.704 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.060 -6.223 -3.981 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.649 -8.630 -5.465 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.728 -10.041 -5.355 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.045 -8.770 -6.560 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -1.025 -5.116 -4.754 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.630 -6.433 -3.625 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.403 -6.664 -5.375 1.00 0.38 H new ATOM 1515 N ASN A 101 -3.792 -11.058 -4.882 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.006 -12.359 -5.494 1.00 0.38 C ATOM 1517 C ASN A 101 -5.454 -12.512 -5.944 1.00 0.37 C ATOM 1518 O ASN A 101 -5.740 -13.138 -6.965 1.00 0.46 O ATOM 1519 CB ASN A 101 -3.668 -13.454 -4.485 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.124 -14.693 -5.150 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -2.334 -14.494 -6.191 1.00 1.85 O flip ATOM 1522 ND2 ASN A 101 -3.384 -15.815 -4.715 1.00 1.55 N flip ATOM 0 H ASN A 101 -3.314 -11.100 -3.982 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.360 -12.445 -6.368 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -2.936 -13.075 -3.772 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.562 -13.711 -3.917 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -4.000 -15.919 -3.908 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -2.984 -16.640 -5.161 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.359 -11.928 -5.173 1.00 0.33 N ATOM 1530 CA HIS A 102 -7.775 -11.963 -5.489 1.00 0.38 C ATOM 1531 C HIS A 102 -8.150 -10.836 -6.442 1.00 0.38 C ATOM 1532 O HIS A 102 -9.046 -10.986 -7.263 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.601 -11.848 -4.207 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.056 -12.120 -4.417 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.596 -13.383 -4.383 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.080 -11.281 -4.674 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -11.892 -13.309 -4.606 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.217 -12.043 -4.785 1.00 0.77 N ATOM 0 H HIS A 102 -6.133 -11.421 -4.317 1.00 0.33 H new ATOM 0 HA HIS A 102 -7.990 -12.914 -5.976 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.211 -12.547 -3.467 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.481 -10.846 -3.794 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.017 -10.207 -4.774 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.575 -14.145 -4.637 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.155 -11.690 -4.974 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.460 -9.710 -6.334 1.00 0.32 N ATOM 1548 CA ALA A 103 -7.831 -8.525 -7.088 1.00 0.38 C ATOM 1549 C ALA A 103 -7.280 -8.558 -8.505 1.00 0.40 C ATOM 1550 O ALA A 103 -7.999 -8.283 -9.463 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.339 -7.275 -6.377 1.00 0.43 C ATOM 0 H ALA A 103 -6.644 -9.593 -5.734 1.00 0.32 H new ATOM 0 HA ALA A 103 -8.919 -8.508 -7.152 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.623 -6.394 -6.952 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.787 -7.221 -5.385 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.254 -7.313 -6.284 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.011 -8.938 -8.623 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.252 -8.804 -9.856 1.00 0.51 C ATOM 1559 C LYS A 104 -5.939 -9.468 -11.048 1.00 0.50 C ATOM 1560 O LYS A 104 -5.826 -8.996 -12.177 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.879 -9.434 -9.638 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.938 -10.944 -9.474 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.601 -11.504 -9.062 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.572 -11.332 -10.166 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.322 -12.079 -9.886 1.00 2.56 N ATOM 0 H LYS A 104 -5.479 -9.351 -7.857 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.171 -7.743 -10.094 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.235 -9.191 -10.483 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.421 -8.995 -8.752 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.688 -11.201 -8.726 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -4.253 -11.402 -10.412 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.256 -11.002 -8.158 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.705 -12.562 -8.820 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -1.994 -11.674 -11.111 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -1.342 -10.273 -10.285 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 0.440 -11.408 -9.658 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -0.473 -12.718 -9.080 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -0.055 -12.635 -10.723 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.685 -10.532 -10.784 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.164 -11.406 -11.843 1.00 0.61 C ATOM 1581 C ALA A 105 -8.364 -10.835 -12.588 1.00 0.66 C ATOM 1582 O ALA A 105 -8.904 -11.488 -13.480 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.487 -12.779 -11.278 1.00 0.72 C ATOM 0 H ALA A 105 -6.971 -10.810 -9.845 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.361 -11.492 -12.575 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.845 -13.427 -12.078 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.589 -13.211 -10.836 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -8.259 -12.686 -10.514 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.776 -9.621 -12.247 1.00 0.62 N ATOM 1590 CA ALA A 106 -9.824 -8.960 -13.002 1.00 0.70 C ATOM 1591 C ALA A 106 -9.184 -8.131 -14.101 1.00 0.72 C ATOM 1592 O ALA A 106 -9.864 -7.482 -14.899 1.00 0.90 O ATOM 1593 CB ALA A 106 -10.691 -8.099 -12.098 1.00 0.75 C ATOM 0 H ALA A 106 -8.405 -9.083 -11.464 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.478 -9.709 -13.448 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.468 -7.616 -12.691 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.154 -8.724 -11.334 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.074 -7.338 -11.619 1.00 0.75 H new ATOM 1599 N ASN A 107 -7.849 -8.157 -14.093 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.024 -7.473 -15.077 1.00 0.73 C ATOM 1601 C ASN A 107 -7.111 -5.995 -14.794 1.00 0.67 C ATOM 1602 O ASN A 107 -7.316 -5.160 -15.675 1.00 0.80 O ATOM 1603 CB ASN A 107 -7.445 -7.807 -16.495 1.00 0.92 C ATOM 1604 CG ASN A 107 -6.304 -7.677 -17.491 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -5.088 -7.973 -17.047 1.00 1.99 O flip ATOM 1606 ND2 ASN A 107 -6.512 -7.336 -18.655 1.00 2.06 N flip ATOM 0 H ASN A 107 -7.309 -8.662 -13.391 1.00 0.67 H new ATOM 0 HA ASN A 107 -5.989 -7.806 -14.996 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -7.833 -8.825 -16.524 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -8.259 -7.147 -16.793 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -7.460 -7.116 -18.960 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -5.736 -7.273 -19.314 1.00 2.06 H new ATOM 1613 N VAL A 108 -6.966 -5.714 -13.517 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.206 -4.405 -12.960 1.00 0.49 C ATOM 1615 C VAL A 108 -5.955 -3.866 -12.277 1.00 0.40 C ATOM 1616 O VAL A 108 -5.176 -4.632 -11.704 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.355 -4.496 -11.935 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -8.275 -5.796 -11.152 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.299 -3.335 -10.983 1.00 1.08 C ATOM 0 H VAL A 108 -6.672 -6.404 -12.826 1.00 0.55 H new ATOM 0 HA VAL A 108 -7.475 -3.724 -13.768 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.298 -4.469 -12.482 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -9.095 -5.840 -10.435 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -8.348 -6.639 -11.839 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -7.325 -5.843 -10.620 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.116 -3.413 -10.266 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.347 -3.346 -10.452 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.393 -2.403 -11.540 1.00 1.08 H new ATOM 1629 N PRO A 109 -5.728 -2.545 -12.361 1.00 0.39 N ATOM 1630 CA PRO A 109 -4.626 -1.890 -11.667 1.00 0.35 C ATOM 1631 C PRO A 109 -4.758 -1.883 -10.147 1.00 0.30 C ATOM 1632 O PRO A 109 -5.864 -1.889 -9.576 1.00 0.34 O ATOM 1633 CB PRO A 109 -4.648 -0.455 -12.182 1.00 0.43 C ATOM 1634 CG PRO A 109 -5.513 -0.474 -13.385 1.00 0.51 C ATOM 1635 CD PRO A 109 -6.490 -1.596 -13.185 1.00 0.48 C ATOM 0 HA PRO A 109 -3.698 -2.427 -11.864 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.042 0.226 -11.427 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -3.643 -0.112 -12.428 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.032 0.477 -13.505 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -4.921 -0.630 -14.287 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.396 -1.259 -12.681 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -6.798 -2.039 -14.132 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.602 -1.799 -9.513 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.503 -1.856 -8.056 1.00 0.25 C ATOM 1645 C ILE A 110 -2.817 -0.593 -7.538 1.00 0.23 C ATOM 1646 O ILE A 110 -1.892 -0.079 -8.172 1.00 0.26 O ATOM 1647 CB ILE A 110 -2.743 -3.137 -7.581 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -3.731 -4.273 -7.256 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -1.848 -2.857 -6.380 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.310 -4.967 -8.469 1.00 0.96 C ATOM 0 H ILE A 110 -2.705 -1.690 -9.987 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.511 -1.910 -7.645 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.103 -3.452 -8.405 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.223 -5.013 -6.638 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.549 -3.867 -6.661 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.339 -3.774 -6.084 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.108 -2.102 -6.646 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.455 -2.494 -5.550 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -4.994 -5.752 -8.147 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -4.850 -4.243 -9.079 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.504 -5.407 -9.056 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.274 -0.083 -6.402 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.736 1.166 -5.875 1.00 0.25 C ATOM 1664 C ILE A 111 -2.159 0.975 -4.507 1.00 0.32 C ATOM 1665 O ILE A 111 -2.871 0.969 -3.513 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.793 2.273 -5.789 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.438 2.508 -7.142 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -3.188 3.553 -5.241 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.910 2.253 -7.087 1.00 0.53 C ATOM 0 H ILE A 111 -4.007 -0.508 -5.833 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.959 1.468 -6.577 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.572 1.949 -5.099 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.255 3.534 -7.463 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.980 1.855 -7.885 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.956 4.325 -5.189 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.790 3.369 -4.243 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.384 3.885 -5.897 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.347 2.429 -8.070 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.089 1.220 -6.790 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.369 2.924 -6.361 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.864 0.855 -4.460 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.177 0.686 -3.215 1.00 0.20 C ATOM 1683 C VAL A 112 -0.256 1.947 -2.389 1.00 0.20 C ATOM 1684 O VAL A 112 -0.096 3.054 -2.900 1.00 0.23 O ATOM 1685 CB VAL A 112 1.290 0.349 -3.427 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.718 -0.727 -2.478 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.541 -0.090 -4.849 1.00 0.22 C ATOM 0 H VAL A 112 -0.258 0.872 -5.280 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.665 -0.138 -2.695 1.00 0.20 H new ATOM 0 HB VAL A 112 1.875 1.248 -3.234 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.771 -0.958 -2.641 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.576 -0.385 -1.453 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.119 -1.622 -2.648 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.598 -0.326 -4.976 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.943 -0.975 -5.068 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.264 0.713 -5.532 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.503 1.773 -1.121 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.475 2.861 -0.193 1.00 0.21 C ATOM 1699 C ALA A 113 0.526 2.530 0.880 1.00 0.21 C ATOM 1700 O ALA A 113 0.202 1.888 1.871 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.851 3.110 0.400 1.00 0.25 C ATOM 0 H ALA A 113 -0.729 0.870 -0.704 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.183 3.778 -0.704 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.800 3.942 1.102 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.553 3.351 -0.398 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.189 2.215 0.923 1.00 0.25 H new ATOM 1707 N ILE A 114 1.753 2.925 0.624 1.00 0.21 N ATOM 1708 CA ILE A 114 2.839 2.775 1.571 1.00 0.24 C ATOM 1709 C ILE A 114 2.574 3.640 2.801 1.00 0.25 C ATOM 1710 O ILE A 114 3.048 4.771 2.879 1.00 0.30 O ATOM 1711 CB ILE A 114 4.176 3.214 0.939 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.314 2.705 -0.506 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.324 2.706 1.785 1.00 0.36 C ATOM 1714 CD1 ILE A 114 4.559 1.215 -0.619 1.00 0.85 C ATOM 0 H ILE A 114 2.029 3.363 -0.255 1.00 0.21 H new ATOM 0 HA ILE A 114 2.901 1.724 1.855 1.00 0.24 H new ATOM 0 HB ILE A 114 4.197 4.303 0.906 1.00 0.28 H new ATOM 0 HG12 ILE A 114 3.407 2.955 -1.056 1.00 0.32 H new ATOM 0 HG13 ILE A 114 5.135 3.234 -0.989 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.269 3.016 1.339 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.245 3.118 2.791 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.286 1.618 1.835 1.00 0.36 H new ATOM 0 HD11 ILE A 114 4.644 0.939 -1.670 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.483 0.958 -0.100 1.00 0.85 H new ATOM 0 HD13 ILE A 114 3.727 0.674 -0.168 1.00 0.85 H new ATOM 1726 N ASN A 115 1.822 3.110 3.758 1.00 0.26 N ATOM 1727 CA ASN A 115 1.331 3.910 4.871 1.00 0.31 C ATOM 1728 C ASN A 115 2.257 3.766 6.067 1.00 0.37 C ATOM 1729 O ASN A 115 3.156 2.924 6.059 1.00 0.39 O ATOM 1730 CB ASN A 115 -0.091 3.453 5.232 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.747 4.301 6.308 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.515 5.508 6.405 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -1.558 3.666 7.140 1.00 0.69 N ATOM 0 H ASN A 115 1.540 2.130 3.785 1.00 0.26 H new ATOM 0 HA ASN A 115 1.307 4.961 4.583 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.710 3.476 4.335 1.00 0.39 H new ATOM 0 HB3 ASN A 115 -0.056 2.417 5.568 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -2.017 4.177 7.895 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.724 2.666 7.026 1.00 0.69 H new ATOM 1740 N LYS A 116 2.062 4.624 7.066 1.00 0.49 N ATOM 1741 CA LYS A 116 2.781 4.528 8.328 1.00 0.62 C ATOM 1742 C LYS A 116 4.256 4.880 8.124 1.00 0.57 C ATOM 1743 O LYS A 116 5.090 4.670 9.001 1.00 0.67 O ATOM 1744 CB LYS A 116 2.599 3.113 8.904 1.00 0.78 C ATOM 1745 CG LYS A 116 2.947 2.956 10.375 1.00 1.15 C ATOM 1746 CD LYS A 116 2.311 1.689 10.930 1.00 1.50 C ATOM 1747 CE LYS A 116 2.697 1.431 12.377 1.00 2.05 C ATOM 1748 NZ LYS A 116 4.105 0.973 12.512 1.00 2.61 N ATOM 0 H LYS A 116 1.403 5.401 7.021 1.00 0.49 H new ATOM 0 HA LYS A 116 2.378 5.243 9.045 1.00 0.62 H new ATOM 0 HB2 LYS A 116 1.561 2.812 8.760 1.00 0.78 H new ATOM 0 HB3 LYS A 116 3.215 2.423 8.327 1.00 0.78 H new ATOM 0 HG2 LYS A 116 4.029 2.913 10.498 1.00 1.15 H new ATOM 0 HG3 LYS A 116 2.597 3.823 10.934 1.00 1.15 H new ATOM 0 HD2 LYS A 116 1.226 1.768 10.855 1.00 1.50 H new ATOM 0 HD3 LYS A 116 2.612 0.838 10.320 1.00 1.50 H new ATOM 0 HE2 LYS A 116 2.557 2.344 12.956 1.00 2.05 H new ATOM 0 HE3 LYS A 116 2.031 0.679 12.800 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 4.322 0.810 13.516 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 4.235 0.088 11.982 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 4.745 1.700 12.133 1.00 2.61 H new ATOM 1762 N MET A 117 4.567 5.453 6.961 1.00 0.58 N ATOM 1763 CA MET A 117 5.928 5.865 6.656 1.00 0.69 C ATOM 1764 C MET A 117 6.128 7.341 6.980 1.00 0.81 C ATOM 1765 O MET A 117 6.734 8.088 6.216 1.00 1.03 O ATOM 1766 CB MET A 117 6.292 5.586 5.204 1.00 0.85 C ATOM 1767 CG MET A 117 5.590 6.458 4.192 1.00 0.81 C ATOM 1768 SD MET A 117 6.662 6.781 2.776 1.00 1.37 S ATOM 1769 CE MET A 117 7.583 5.238 2.708 1.00 0.65 C ATOM 0 H MET A 117 3.893 5.640 6.219 1.00 0.58 H new ATOM 0 HA MET A 117 6.595 5.273 7.283 1.00 0.69 H new ATOM 0 HB2 MET A 117 7.368 5.711 5.084 1.00 0.85 H new ATOM 0 HB3 MET A 117 6.065 4.543 4.982 1.00 0.85 H new ATOM 0 HG2 MET A 117 4.674 5.971 3.858 1.00 0.81 H new ATOM 0 HG3 MET A 117 5.298 7.400 4.656 1.00 0.81 H new ATOM 0 HE1 MET A 117 7.837 5.011 1.673 1.00 0.65 H new ATOM 0 HE2 MET A 117 8.497 5.334 3.294 1.00 0.65 H new ATOM 0 HE3 MET A 117 6.973 4.432 3.117 1.00 0.65 H new ATOM 1852 N ASN A 123 11.621 1.706 3.438 1.00 0.59 N ATOM 1853 CA ASN A 123 12.279 1.132 2.269 1.00 0.57 C ATOM 1854 C ASN A 123 11.254 0.756 1.200 1.00 0.46 C ATOM 1855 O ASN A 123 10.919 -0.420 1.042 1.00 0.52 O ATOM 1856 CB ASN A 123 13.101 -0.102 2.667 1.00 0.85 C ATOM 1857 CG ASN A 123 14.043 -0.581 1.573 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.777 -0.423 0.378 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.161 -1.163 1.975 1.00 1.84 N ATOM 0 HA ASN A 123 12.951 1.884 1.856 1.00 0.57 H new ATOM 0 HB2 ASN A 123 13.682 0.130 3.560 1.00 0.85 H new ATOM 0 HB3 ASN A 123 12.421 -0.912 2.931 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.837 -1.498 1.289 1.00 1.84 H new ATOM 0 HD22 ASN A 123 15.347 -1.276 2.971 1.00 1.84 H new ATOM 1866 N PRO A 124 10.714 1.763 0.480 1.00 0.41 N ATOM 1867 CA PRO A 124 9.853 1.566 -0.687 1.00 0.47 C ATOM 1868 C PRO A 124 10.285 0.410 -1.595 1.00 0.42 C ATOM 1869 O PRO A 124 9.569 -0.570 -1.698 1.00 0.40 O ATOM 1870 CB PRO A 124 9.959 2.905 -1.443 1.00 0.66 C ATOM 1871 CG PRO A 124 10.835 3.787 -0.607 1.00 0.70 C ATOM 1872 CD PRO A 124 10.836 3.193 0.768 1.00 0.46 C ATOM 0 HA PRO A 124 8.842 1.298 -0.379 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.386 2.759 -2.435 1.00 0.66 H new ATOM 0 HB3 PRO A 124 8.975 3.353 -1.582 1.00 0.66 H new ATOM 0 HG2 PRO A 124 11.846 3.830 -1.013 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.455 4.809 -0.589 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.752 3.423 1.312 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.006 3.560 1.372 1.00 0.46 H new ATOM 1880 N ASP A 125 11.453 0.533 -2.228 1.00 0.45 N ATOM 1881 CA ASP A 125 11.937 -0.448 -3.227 1.00 0.45 C ATOM 1882 C ASP A 125 11.761 -1.890 -2.773 1.00 0.38 C ATOM 1883 O ASP A 125 11.240 -2.709 -3.528 1.00 0.33 O ATOM 1884 CB ASP A 125 13.407 -0.186 -3.530 1.00 0.56 C ATOM 1885 CG ASP A 125 14.033 -1.245 -4.418 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.794 -1.225 -5.644 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.792 -2.086 -3.890 1.00 2.00 O ATOM 0 H ASP A 125 12.095 1.309 -2.070 1.00 0.45 H new ATOM 0 HA ASP A 125 11.331 -0.317 -4.124 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.504 0.787 -4.012 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.961 -0.134 -2.593 1.00 0.56 H new ATOM 1892 N ARG A 126 12.190 -2.197 -1.550 1.00 0.40 N ATOM 1893 CA ARG A 126 11.987 -3.528 -0.981 1.00 0.40 C ATOM 1894 C ARG A 126 10.532 -3.930 -1.117 1.00 0.34 C ATOM 1895 O ARG A 126 10.201 -4.946 -1.722 1.00 0.32 O ATOM 1896 CB ARG A 126 12.394 -3.536 0.495 1.00 0.47 C ATOM 1897 CG ARG A 126 12.019 -4.808 1.246 1.00 0.58 C ATOM 1898 CD ARG A 126 10.672 -4.647 1.933 1.00 1.25 C ATOM 1899 NE ARG A 126 10.160 -5.893 2.489 1.00 1.38 N ATOM 1900 CZ ARG A 126 9.729 -6.023 3.741 1.00 2.08 C ATOM 1901 NH1 ARG A 126 9.909 -5.037 4.614 1.00 2.99 N ATOM 1902 NH2 ARG A 126 9.146 -7.149 4.126 1.00 2.15 N ATOM 0 H ARG A 126 12.678 -1.545 -0.936 1.00 0.40 H new ATOM 0 HA ARG A 126 12.607 -4.243 -1.522 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.473 -3.394 0.562 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.929 -2.685 0.992 1.00 0.47 H new ATOM 0 HG2 ARG A 126 11.982 -5.648 0.553 1.00 0.58 H new ATOM 0 HG3 ARG A 126 12.785 -5.039 1.986 1.00 0.58 H new ATOM 0 HD2 ARG A 126 10.764 -3.911 2.732 1.00 1.25 H new ATOM 0 HD3 ARG A 126 9.951 -4.252 1.217 1.00 1.25 H new ATOM 0 HE ARG A 126 10.130 -6.713 1.883 1.00 1.38 H new ATOM 0 HH11 ARG A 126 10.378 -4.179 4.325 1.00 2.99 H new ATOM 0 HH12 ARG A 126 9.578 -5.138 5.573 1.00 2.99 H new ATOM 0 HH21 ARG A 126 9.028 -7.915 3.463 1.00 2.15 H new ATOM 0 HH22 ARG A 126 8.815 -7.250 5.086 1.00 2.15 H new ATOM 1916 N VAL A 127 9.681 -3.091 -0.560 1.00 0.34 N ATOM 1917 CA VAL A 127 8.235 -3.306 -0.590 1.00 0.34 C ATOM 1918 C VAL A 127 7.738 -3.395 -2.028 1.00 0.31 C ATOM 1919 O VAL A 127 6.980 -4.290 -2.389 1.00 0.33 O ATOM 1920 CB VAL A 127 7.488 -2.159 0.123 1.00 0.37 C ATOM 1921 CG1 VAL A 127 5.985 -2.377 0.075 1.00 0.39 C ATOM 1922 CG2 VAL A 127 7.965 -2.020 1.559 1.00 0.40 C ATOM 0 H VAL A 127 9.965 -2.241 -0.073 1.00 0.34 H new ATOM 0 HA VAL A 127 8.034 -4.243 -0.071 1.00 0.34 H new ATOM 0 HB VAL A 127 7.711 -1.231 -0.404 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.482 -1.555 0.584 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.656 -2.416 -0.963 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.738 -3.316 0.570 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.426 -1.206 2.044 1.00 0.40 H new ATOM 0 HG22 VAL A 127 7.778 -2.950 2.096 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.033 -1.804 1.568 1.00 0.40 H new ATOM 1932 N MET A 128 8.210 -2.473 -2.846 1.00 0.28 N ATOM 1933 CA MET A 128 7.783 -2.360 -4.231 1.00 0.26 C ATOM 1934 C MET A 128 8.147 -3.609 -5.029 1.00 0.25 C ATOM 1935 O MET A 128 7.455 -3.973 -5.982 1.00 0.25 O ATOM 1936 CB MET A 128 8.418 -1.118 -4.862 1.00 0.25 C ATOM 1937 CG MET A 128 8.116 0.167 -4.105 1.00 0.27 C ATOM 1938 SD MET A 128 9.040 1.589 -4.713 1.00 0.30 S ATOM 1939 CE MET A 128 8.251 1.842 -6.294 1.00 0.29 C ATOM 0 H MET A 128 8.903 -1.778 -2.569 1.00 0.28 H new ATOM 0 HA MET A 128 6.698 -2.263 -4.251 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.498 -1.257 -4.911 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.062 -1.019 -5.888 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.049 0.379 -4.175 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.343 0.020 -3.049 1.00 0.27 H new ATOM 0 HE1 MET A 128 9.009 1.888 -7.076 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.570 1.016 -6.497 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.692 2.777 -6.276 1.00 0.29 H new ATOM 1949 N GLN A 129 9.222 -4.278 -4.626 1.00 0.25 N ATOM 1950 CA GLN A 129 9.656 -5.492 -5.308 1.00 0.26 C ATOM 1951 C GLN A 129 8.805 -6.675 -4.893 1.00 0.29 C ATOM 1952 O GLN A 129 8.684 -7.651 -5.634 1.00 0.31 O ATOM 1953 CB GLN A 129 11.128 -5.777 -5.037 1.00 0.29 C ATOM 1954 CG GLN A 129 12.068 -4.942 -5.883 1.00 0.31 C ATOM 1955 CD GLN A 129 13.509 -5.083 -5.444 1.00 0.46 C ATOM 1956 OE1 GLN A 129 13.793 -5.330 -4.273 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.428 -4.927 -6.379 1.00 1.28 N ATOM 0 H GLN A 129 9.805 -4.003 -3.836 1.00 0.25 H new ATOM 0 HA GLN A 129 9.531 -5.334 -6.379 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.338 -5.592 -3.984 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.326 -6.833 -5.221 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.977 -5.241 -6.927 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.773 -3.894 -5.825 1.00 0.31 H new ATOM 0 HE21 GLN A 129 14.150 -4.723 -7.339 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.416 -5.011 -6.142 1.00 1.28 H new ATOM 1966 N GLU A 130 8.208 -6.591 -3.714 1.00 0.33 N ATOM 1967 CA GLU A 130 7.264 -7.605 -3.292 1.00 0.38 C ATOM 1968 C GLU A 130 5.986 -7.442 -4.086 1.00 0.33 C ATOM 1969 O GLU A 130 5.315 -8.413 -4.411 1.00 0.36 O ATOM 1970 CB GLU A 130 6.944 -7.506 -1.805 1.00 0.48 C ATOM 1971 CG GLU A 130 8.093 -7.017 -0.962 1.00 0.71 C ATOM 1972 CD GLU A 130 7.806 -7.131 0.520 1.00 1.18 C ATOM 1973 OE1 GLU A 130 6.816 -6.532 0.992 1.00 2.02 O ATOM 1974 OE2 GLU A 130 8.567 -7.837 1.222 1.00 1.46 O ATOM 0 H GLU A 130 8.360 -5.839 -3.042 1.00 0.33 H new ATOM 0 HA GLU A 130 7.714 -8.581 -3.470 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.096 -6.834 -1.670 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.634 -8.487 -1.444 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.988 -7.592 -1.202 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.306 -5.977 -1.210 1.00 0.71 H new ATOM 1981 N LEU A 131 5.658 -6.205 -4.432 1.00 0.29 N ATOM 1982 CA LEU A 131 4.456 -5.962 -5.208 1.00 0.29 C ATOM 1983 C LEU A 131 4.646 -6.477 -6.602 1.00 0.24 C ATOM 1984 O LEU A 131 3.792 -7.171 -7.147 1.00 0.25 O ATOM 1985 CB LEU A 131 4.094 -4.483 -5.232 1.00 0.32 C ATOM 1986 CG LEU A 131 3.247 -4.030 -4.053 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.021 -4.900 -3.948 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.039 -4.123 -2.779 1.00 1.06 C ATOM 0 H LEU A 131 6.196 -5.372 -4.193 1.00 0.29 H new ATOM 0 HA LEU A 131 3.630 -6.492 -4.734 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.012 -3.896 -5.252 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.557 -4.267 -6.155 1.00 0.32 H new ATOM 0 HG LEU A 131 2.948 -2.994 -4.210 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.415 -4.574 -3.103 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.438 -4.819 -4.865 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.322 -5.937 -3.800 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.422 -3.796 -1.942 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.350 -5.155 -2.619 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.920 -3.485 -2.851 1.00 1.06 H new ATOM 2000 N MET A 132 5.801 -6.181 -7.162 1.00 0.21 N ATOM 2001 CA MET A 132 6.129 -6.654 -8.483 1.00 0.22 C ATOM 2002 C MET A 132 6.524 -8.126 -8.427 1.00 0.26 C ATOM 2003 O MET A 132 6.806 -8.743 -9.452 1.00 0.32 O ATOM 2004 CB MET A 132 7.226 -5.789 -9.099 1.00 0.23 C ATOM 2005 CG MET A 132 8.644 -6.155 -8.697 1.00 0.26 C ATOM 2006 SD MET A 132 9.497 -7.037 -10.015 1.00 0.35 S ATOM 2007 CE MET A 132 8.819 -6.179 -11.435 1.00 0.32 C ATOM 0 H MET A 132 6.525 -5.615 -6.720 1.00 0.21 H new ATOM 0 HA MET A 132 5.253 -6.572 -9.126 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.147 -5.849 -10.184 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.044 -4.750 -8.823 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.197 -5.250 -8.446 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.621 -6.773 -7.800 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.563 -6.148 -12.231 1.00 0.32 H new ATOM 0 HE2 MET A 132 7.932 -6.705 -11.788 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.549 -5.162 -11.151 1.00 0.32 H new ATOM 2017 N GLU A 133 6.507 -8.687 -7.219 1.00 0.27 N ATOM 2018 CA GLU A 133 6.672 -10.117 -7.034 1.00 0.35 C ATOM 2019 C GLU A 133 5.352 -10.772 -7.387 1.00 0.34 C ATOM 2020 O GLU A 133 5.304 -11.893 -7.883 1.00 0.40 O ATOM 2021 CB GLU A 133 7.052 -10.439 -5.584 1.00 0.44 C ATOM 2022 CG GLU A 133 7.282 -11.915 -5.305 1.00 0.67 C ATOM 2023 CD GLU A 133 8.591 -12.418 -5.865 1.00 1.30 C ATOM 2024 OE1 GLU A 133 9.636 -12.249 -5.204 1.00 1.55 O ATOM 2025 OE2 GLU A 133 8.582 -12.986 -6.972 1.00 2.18 O ATOM 0 H GLU A 133 6.379 -8.164 -6.353 1.00 0.27 H new ATOM 0 HA GLU A 133 7.474 -10.490 -7.671 1.00 0.35 H new ATOM 0 HB2 GLU A 133 7.957 -9.889 -5.328 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.262 -10.077 -4.926 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.264 -12.084 -4.228 1.00 0.67 H new ATOM 0 HG3 GLU A 133 6.463 -12.493 -5.733 1.00 0.67 H new ATOM 2032 N TYR A 134 4.268 -10.040 -7.125 1.00 0.30 N ATOM 2033 CA TYR A 134 2.951 -10.475 -7.556 1.00 0.34 C ATOM 2034 C TYR A 134 2.604 -9.820 -8.890 1.00 0.36 C ATOM 2035 O TYR A 134 1.445 -9.789 -9.310 1.00 0.44 O ATOM 2036 CB TYR A 134 1.938 -10.178 -6.467 1.00 0.32 C ATOM 2037 CG TYR A 134 2.415 -10.709 -5.138 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.503 -12.075 -4.915 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.851 -9.852 -4.140 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.003 -12.575 -3.732 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.369 -10.343 -2.957 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.438 -11.708 -2.757 1.00 0.57 C ATOM 2043 OH TYR A 134 3.961 -12.211 -1.587 1.00 0.74 O ATOM 0 H TYR A 134 4.281 -9.153 -6.621 1.00 0.30 H new ATOM 0 HA TYR A 134 2.938 -11.553 -7.720 1.00 0.34 H new ATOM 0 HB2 TYR A 134 1.776 -9.102 -6.398 1.00 0.32 H new ATOM 0 HB3 TYR A 134 0.979 -10.629 -6.722 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.174 -12.760 -5.683 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.785 -8.784 -4.289 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.053 -13.642 -3.571 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.718 -9.664 -2.193 1.00 0.49 H new ATOM 0 HH TYR A 134 4.223 -11.471 -1.001 1.00 0.74 H new ATOM 2053 N ASN A 135 3.660 -9.319 -9.543 1.00 0.35 N ATOM 2054 CA ASN A 135 3.596 -8.723 -10.875 1.00 0.38 C ATOM 2055 C ASN A 135 2.821 -7.423 -10.833 1.00 0.42 C ATOM 2056 O ASN A 135 2.116 -7.062 -11.776 1.00 0.59 O ATOM 2057 CB ASN A 135 2.984 -9.690 -11.898 1.00 0.47 C ATOM 2058 CG ASN A 135 3.733 -11.006 -11.983 1.00 1.19 C ATOM 2059 OD1 ASN A 135 3.404 -11.961 -11.282 1.00 1.94 O ATOM 2060 ND2 ASN A 135 4.743 -11.073 -12.839 1.00 1.89 N ATOM 0 H ASN A 135 4.601 -9.319 -9.148 1.00 0.35 H new ATOM 0 HA ASN A 135 4.616 -8.512 -11.196 1.00 0.38 H new ATOM 0 HB2 ASN A 135 1.945 -9.885 -11.631 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.977 -9.217 -12.880 1.00 0.47 H new ATOM 0 HD21 ASN A 135 5.276 -11.938 -12.932 1.00 1.89 H new ATOM 0 HD22 ASN A 135 4.987 -10.260 -13.404 1.00 1.89 H new ATOM 2067 N LEU A 136 2.964 -6.723 -9.724 1.00 0.38 N ATOM 2068 CA LEU A 136 2.413 -5.409 -9.588 1.00 0.46 C ATOM 2069 C LEU A 136 3.518 -4.412 -9.641 1.00 0.39 C ATOM 2070 O LEU A 136 4.109 -4.011 -8.640 1.00 0.43 O ATOM 2071 CB LEU A 136 1.582 -5.240 -8.345 1.00 0.62 C ATOM 2072 CG LEU A 136 0.169 -5.784 -8.451 1.00 0.89 C ATOM 2073 CD1 LEU A 136 -0.384 -5.614 -9.861 1.00 1.68 C ATOM 2074 CD2 LEU A 136 0.119 -7.234 -8.008 1.00 1.44 C ATOM 0 H LEU A 136 3.465 -7.057 -8.901 1.00 0.38 H new ATOM 0 HA LEU A 136 1.726 -5.246 -10.419 1.00 0.46 H new ATOM 0 HB2 LEU A 136 2.087 -5.736 -7.516 1.00 0.62 H new ATOM 0 HB3 LEU A 136 1.531 -4.179 -8.099 1.00 0.62 H new ATOM 0 HG LEU A 136 -0.468 -5.206 -7.781 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -1.397 -6.013 -9.905 1.00 1.68 H new ATOM 0 HD12 LEU A 136 -0.399 -4.555 -10.121 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.249 -6.152 -10.567 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -0.903 -7.605 -8.092 1.00 1.44 H new ATOM 0 HD22 LEU A 136 0.775 -7.831 -8.642 1.00 1.44 H new ATOM 0 HD23 LEU A 136 0.449 -7.309 -6.972 1.00 1.44 H new ATOM 2086 N VAL A 137 3.787 -4.069 -10.850 1.00 0.33 N ATOM 2087 CA VAL A 137 4.895 -3.213 -11.194 1.00 0.27 C ATOM 2088 C VAL A 137 4.529 -1.753 -11.046 1.00 0.26 C ATOM 2089 O VAL A 137 3.604 -1.262 -11.687 1.00 0.27 O ATOM 2090 CB VAL A 137 5.372 -3.478 -12.623 1.00 0.27 C ATOM 2091 CG1 VAL A 137 6.507 -2.535 -12.981 1.00 0.61 C ATOM 2092 CG2 VAL A 137 5.787 -4.928 -12.763 1.00 0.49 C ATOM 0 H VAL A 137 3.239 -4.375 -11.654 1.00 0.33 H new ATOM 0 HA VAL A 137 5.705 -3.443 -10.501 1.00 0.27 H new ATOM 0 HB VAL A 137 4.555 -3.290 -13.320 1.00 0.27 H new ATOM 0 HG11 VAL A 137 6.837 -2.734 -14.000 1.00 0.61 H new ATOM 0 HG12 VAL A 137 6.161 -1.504 -12.906 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.339 -2.689 -12.293 1.00 0.61 H new ATOM 0 HG21 VAL A 137 6.126 -5.113 -13.782 1.00 0.49 H new ATOM 0 HG22 VAL A 137 6.597 -5.143 -12.066 1.00 0.49 H new ATOM 0 HG23 VAL A 137 4.937 -5.573 -12.541 1.00 0.49 H new ATOM 2102 N PRO A 138 5.258 -1.059 -10.175 1.00 0.25 N ATOM 2103 CA PRO A 138 5.108 0.376 -9.952 1.00 0.27 C ATOM 2104 C PRO A 138 5.062 1.196 -11.227 1.00 0.30 C ATOM 2105 O PRO A 138 5.579 0.802 -12.274 1.00 0.29 O ATOM 2106 CB PRO A 138 6.374 0.742 -9.208 1.00 0.30 C ATOM 2107 CG PRO A 138 6.745 -0.483 -8.468 1.00 0.29 C ATOM 2108 CD PRO A 138 6.278 -1.647 -9.296 1.00 0.27 C ATOM 0 HA PRO A 138 4.171 0.583 -9.435 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.164 1.043 -9.896 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.206 1.578 -8.530 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.823 -0.528 -8.310 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.278 -0.497 -7.483 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.096 -2.086 -9.868 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.863 -2.440 -8.674 1.00 0.27 H new ATOM 2116 N GLU A 139 4.488 2.371 -11.090 1.00 0.35 N ATOM 2117 CA GLU A 139 4.418 3.328 -12.180 1.00 0.40 C ATOM 2118 C GLU A 139 5.788 3.951 -12.386 1.00 0.42 C ATOM 2119 O GLU A 139 6.113 4.429 -13.471 1.00 0.50 O ATOM 2120 CB GLU A 139 3.380 4.406 -11.878 1.00 0.47 C ATOM 2121 CG GLU A 139 1.966 3.873 -11.749 1.00 0.80 C ATOM 2122 CD GLU A 139 1.471 3.250 -13.034 1.00 1.49 C ATOM 2123 OE1 GLU A 139 1.888 2.113 -13.342 1.00 2.01 O ATOM 2124 OE2 GLU A 139 0.656 3.890 -13.724 1.00 1.98 O ATOM 0 H GLU A 139 4.057 2.693 -10.223 1.00 0.35 H new ATOM 0 HA GLU A 139 4.115 2.815 -13.092 1.00 0.40 H new ATOM 0 HB2 GLU A 139 3.654 4.912 -10.952 1.00 0.47 H new ATOM 0 HB3 GLU A 139 3.406 5.154 -12.670 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.930 3.132 -10.951 1.00 0.80 H new ATOM 0 HG3 GLU A 139 1.298 4.685 -11.460 1.00 0.80 H new ATOM 2131 N GLU A 140 6.584 3.941 -11.318 1.00 0.42 N ATOM 2132 CA GLU A 140 7.994 4.296 -11.398 1.00 0.44 C ATOM 2133 C GLU A 140 8.675 3.395 -12.413 1.00 0.43 C ATOM 2134 O GLU A 140 9.519 3.828 -13.196 1.00 0.51 O ATOM 2135 CB GLU A 140 8.704 4.077 -10.051 1.00 0.45 C ATOM 2136 CG GLU A 140 7.783 3.907 -8.862 1.00 0.75 C ATOM 2137 CD GLU A 140 7.032 5.167 -8.488 1.00 0.87 C ATOM 2138 OE1 GLU A 140 7.612 6.013 -7.778 1.00 1.14 O ATOM 2139 OE2 GLU A 140 5.868 5.316 -8.911 1.00 1.01 O ATOM 0 H GLU A 140 6.270 3.688 -10.381 1.00 0.42 H new ATOM 0 HA GLU A 140 8.057 5.347 -11.679 1.00 0.44 H new ATOM 0 HB2 GLU A 140 9.337 3.193 -10.131 1.00 0.45 H new ATOM 0 HB3 GLU A 140 9.363 4.925 -9.863 1.00 0.45 H new ATOM 0 HG2 GLU A 140 7.064 3.118 -9.081 1.00 0.75 H new ATOM 0 HG3 GLU A 140 8.369 3.576 -8.004 1.00 0.75 H new ATOM 2146 N TRP A 141 8.292 2.121 -12.376 1.00 0.35 N ATOM 2147 CA TRP A 141 8.993 1.093 -13.120 1.00 0.35 C ATOM 2148 C TRP A 141 8.315 0.825 -14.455 1.00 0.38 C ATOM 2149 O TRP A 141 8.934 0.298 -15.375 1.00 0.45 O ATOM 2150 CB TRP A 141 9.122 -0.180 -12.292 1.00 0.32 C ATOM 2151 CG TRP A 141 9.599 0.052 -10.879 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.998 1.233 -10.318 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.707 -0.924 -9.844 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.309 1.062 -9.001 1.00 0.31 N ATOM 2155 CE2 TRP A 141 10.150 -0.261 -8.680 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.456 -2.288 -9.788 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.348 -0.928 -7.473 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.648 -2.956 -8.591 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.087 -2.274 -7.440 1.00 0.23 C ATOM 0 H TRP A 141 7.497 1.781 -11.835 1.00 0.35 H new ATOM 0 HA TRP A 141 9.999 1.453 -13.333 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.154 -0.680 -12.260 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.814 -0.857 -12.792 1.00 0.32 H new ATOM 0 HD1 TRP A 141 10.059 2.173 -10.846 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.610 1.797 -8.361 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.116 -2.820 -10.665 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.695 -0.404 -6.595 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.458 -4.018 -8.539 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.220 -2.819 -6.517 1.00 0.23 H new ATOM 2170 N GLY A 142 7.039 1.183 -14.565 1.00 0.35 N ATOM 2171 CA GLY A 142 6.390 1.140 -15.857 1.00 0.39 C ATOM 2172 C GLY A 142 5.431 -0.010 -15.967 1.00 0.38 C ATOM 2173 O GLY A 142 5.218 -0.560 -17.049 1.00 0.45 O ATOM 0 H GLY A 142 6.452 1.498 -13.792 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.856 2.075 -16.026 1.00 0.39 H new ATOM 0 HA3 GLY A 142 7.145 1.059 -16.639 1.00 0.39 H new ATOM 2177 N GLY A 143 4.863 -0.382 -14.841 1.00 0.33 N ATOM 2178 CA GLY A 143 3.878 -1.438 -14.834 1.00 0.34 C ATOM 2179 C GLY A 143 2.483 -0.888 -14.862 1.00 0.37 C ATOM 2180 O GLY A 143 2.036 -0.358 -15.882 1.00 0.50 O ATOM 0 H GLY A 143 5.064 0.026 -13.928 1.00 0.33 H new ATOM 0 HA2 GLY A 143 4.032 -2.086 -15.696 1.00 0.34 H new ATOM 0 HA3 GLY A 143 4.010 -2.054 -13.944 1.00 0.34 H new ATOM 2184 N ASP A 144 1.798 -1.029 -13.747 1.00 0.33 N ATOM 2185 CA ASP A 144 0.492 -0.427 -13.564 1.00 0.40 C ATOM 2186 C ASP A 144 0.110 -0.477 -12.097 1.00 0.30 C ATOM 2187 O ASP A 144 -1.009 -0.856 -11.708 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.581 -1.090 -14.445 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.719 -2.584 -14.219 1.00 0.93 C ATOM 2190 OD1 ASP A 144 0.207 -3.333 -14.589 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -1.733 -3.009 -13.624 1.00 1.30 O ATOM 0 H ASP A 144 2.129 -1.563 -12.943 1.00 0.33 H new ATOM 0 HA ASP A 144 0.549 0.614 -13.882 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.542 -0.612 -14.253 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.340 -0.911 -15.493 1.00 0.57 H new ATOM 2196 N THR A 145 1.067 -0.095 -11.274 1.00 0.25 N ATOM 2197 CA THR A 145 0.863 -0.108 -9.842 1.00 0.24 C ATOM 2198 C THR A 145 1.309 1.204 -9.205 1.00 0.24 C ATOM 2199 O THR A 145 2.499 1.519 -9.138 1.00 0.31 O ATOM 2200 CB THR A 145 1.593 -1.303 -9.215 1.00 0.25 C ATOM 2201 OG1 THR A 145 1.244 -2.485 -9.945 1.00 0.32 O ATOM 2202 CG2 THR A 145 1.212 -1.490 -7.757 1.00 0.28 C ATOM 0 H THR A 145 1.988 0.226 -11.572 1.00 0.25 H new ATOM 0 HA THR A 145 -0.205 -0.214 -9.650 1.00 0.24 H new ATOM 0 HB THR A 145 2.666 -1.116 -9.261 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.291 -2.460 -10.172 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.749 -2.346 -7.347 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.474 -0.594 -7.195 1.00 0.28 H new ATOM 0 HG23 THR A 145 0.139 -1.665 -7.681 1.00 0.28 H new ATOM 2210 N ILE A 146 0.331 1.962 -8.739 1.00 0.26 N ATOM 2211 CA ILE A 146 0.565 3.290 -8.194 1.00 0.27 C ATOM 2212 C ILE A 146 1.031 3.196 -6.745 1.00 0.24 C ATOM 2213 O ILE A 146 0.247 2.882 -5.858 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.714 4.166 -8.266 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.191 4.353 -9.715 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.473 5.521 -7.621 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -1.914 3.154 -10.299 1.00 1.23 C ATOM 0 H ILE A 146 -0.648 1.675 -8.727 1.00 0.26 H new ATOM 0 HA ILE A 146 1.341 3.759 -8.799 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.497 3.644 -7.716 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.854 5.217 -9.757 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -0.329 4.582 -10.341 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.382 6.120 -7.682 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.199 5.383 -6.575 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.335 6.034 -8.143 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.215 3.374 -11.323 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.249 2.290 -10.293 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.798 2.935 -9.700 1.00 1.23 H new ATOM 2229 N PHE A 147 2.308 3.462 -6.515 1.00 0.23 N ATOM 2230 CA PHE A 147 2.879 3.396 -5.171 1.00 0.22 C ATOM 2231 C PHE A 147 2.769 4.732 -4.458 1.00 0.24 C ATOM 2232 O PHE A 147 3.603 5.618 -4.635 1.00 0.38 O ATOM 2233 CB PHE A 147 4.340 2.960 -5.228 1.00 0.23 C ATOM 2234 CG PHE A 147 4.491 1.475 -5.263 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.301 0.783 -6.443 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.848 0.777 -4.127 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.457 -0.586 -6.491 1.00 0.20 C ATOM 2238 CE2 PHE A 147 5.011 -0.592 -4.169 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.729 -1.283 -5.310 1.00 0.19 C ATOM 0 H PHE A 147 2.973 3.727 -7.242 1.00 0.23 H new ATOM 0 HA PHE A 147 2.308 2.658 -4.608 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.811 3.391 -6.112 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.868 3.356 -4.361 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.027 1.321 -7.339 1.00 0.20 H new ATOM 0 HD2 PHE A 147 5.001 1.307 -3.198 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.370 -1.113 -7.429 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.363 -1.119 -3.294 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.716 -2.363 -5.302 1.00 0.19 H new ATOM 2249 N CYS A 148 1.738 4.866 -3.649 1.00 0.25 N ATOM 2250 CA CYS A 148 1.536 6.069 -2.871 1.00 0.28 C ATOM 2251 C CYS A 148 2.266 5.963 -1.545 1.00 0.26 C ATOM 2252 O CYS A 148 1.784 5.322 -0.618 1.00 0.32 O ATOM 2253 CB CYS A 148 0.047 6.277 -2.612 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.953 6.400 -4.112 1.00 1.10 S ATOM 0 H CYS A 148 1.023 4.151 -3.513 1.00 0.25 H new ATOM 0 HA CYS A 148 1.930 6.917 -3.432 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.325 5.450 -2.007 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -0.085 7.186 -2.025 1.00 0.30 H new ATOM 0 HG CYS A 148 -1.205 7.650 -4.364 1.00 1.10 H new ATOM 2260 N LYS A 149 3.436 6.565 -1.463 1.00 0.37 N ATOM 2261 CA LYS A 149 4.139 6.660 -0.196 1.00 0.38 C ATOM 2262 C LYS A 149 3.479 7.742 0.655 1.00 0.39 C ATOM 2263 O LYS A 149 3.906 8.897 0.674 1.00 0.47 O ATOM 2264 CB LYS A 149 5.623 6.950 -0.440 1.00 0.47 C ATOM 2265 CG LYS A 149 5.878 8.062 -1.446 1.00 0.64 C ATOM 2266 CD LYS A 149 7.355 8.197 -1.776 1.00 0.94 C ATOM 2267 CE LYS A 149 8.174 8.607 -0.564 1.00 1.57 C ATOM 2268 NZ LYS A 149 9.613 8.739 -0.899 1.00 2.44 N ATOM 0 H LYS A 149 3.919 6.994 -2.253 1.00 0.37 H new ATOM 0 HA LYS A 149 4.079 5.714 0.343 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.091 7.217 0.507 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.108 6.039 -0.790 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.318 7.861 -2.360 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.507 9.006 -1.046 1.00 0.64 H new ATOM 0 HD2 LYS A 149 7.728 7.248 -2.162 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.484 8.936 -2.567 1.00 0.94 H new ATOM 0 HE2 LYS A 149 7.801 9.555 -0.176 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.050 7.868 0.227 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 10.143 9.020 -0.049 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 9.974 7.827 -1.246 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 9.733 9.462 -1.637 1.00 2.44 H new ATOM 2282 N LEU A 150 2.418 7.361 1.350 1.00 0.40 N ATOM 2283 CA LEU A 150 1.583 8.321 2.040 1.00 0.45 C ATOM 2284 C LEU A 150 1.656 8.166 3.550 1.00 0.45 C ATOM 2285 O LEU A 150 2.376 7.318 4.077 1.00 0.49 O ATOM 2286 CB LEU A 150 0.130 8.224 1.533 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.719 6.990 1.913 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.100 5.726 2.073 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.552 7.258 3.157 1.00 1.27 C ATOM 0 H LEU A 150 2.118 6.391 1.449 1.00 0.40 H new ATOM 0 HA LEU A 150 1.965 9.317 1.814 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.400 9.109 1.885 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.157 8.281 0.445 1.00 0.60 H new ATOM 0 HG LEU A 150 -1.391 6.816 1.073 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.557 4.898 2.340 1.00 1.25 H new ATOM 0 HD12 LEU A 150 0.607 5.499 1.135 1.00 1.25 H new ATOM 0 HD13 LEU A 150 0.841 5.870 2.860 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -2.139 6.372 3.400 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.893 7.497 3.992 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -2.222 8.097 2.972 1.00 1.27 H new ATOM 2301 N SER A 151 0.897 9.002 4.235 1.00 0.49 N ATOM 2302 CA SER A 151 0.886 9.034 5.681 1.00 0.55 C ATOM 2303 C SER A 151 -0.309 9.825 6.195 1.00 0.57 C ATOM 2304 O SER A 151 -0.560 10.946 5.751 1.00 0.60 O ATOM 2305 CB SER A 151 2.187 9.625 6.190 1.00 0.66 C ATOM 2306 OG SER A 151 3.174 8.624 6.332 1.00 1.79 O ATOM 0 H SER A 151 0.270 9.679 3.800 1.00 0.49 H new ATOM 0 HA SER A 151 0.794 8.015 6.056 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.538 10.392 5.499 1.00 0.66 H new ATOM 0 HB3 SER A 151 2.018 10.114 7.150 1.00 0.66 H new ATOM 0 HG SER A 151 3.087 7.973 5.604 1.00 1.79 H new ATOM 2312 N ALA A 152 -1.041 9.231 7.126 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.207 9.869 7.717 1.00 0.70 C ATOM 2314 C ALA A 152 -1.788 10.779 8.861 1.00 0.74 C ATOM 2315 O ALA A 152 -2.589 11.553 9.384 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.177 8.814 8.209 1.00 0.86 C ATOM 0 H ALA A 152 -0.845 8.299 7.491 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.701 10.476 6.958 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.048 9.298 8.651 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.493 8.192 7.372 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.688 8.192 8.959 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.520 10.674 9.233 1.00 0.77 N ATOM 2323 CA LYS A 153 0.047 11.498 10.281 1.00 0.93 C ATOM 2324 C LYS A 153 0.346 12.873 9.730 1.00 0.86 C ATOM 2325 O LYS A 153 -0.180 13.882 10.198 1.00 0.96 O ATOM 2326 CB LYS A 153 1.331 10.879 10.798 1.00 1.13 C ATOM 2327 CG LYS A 153 1.997 11.684 11.902 1.00 1.19 C ATOM 2328 CD LYS A 153 1.473 11.302 13.277 1.00 1.68 C ATOM 2329 CE LYS A 153 1.841 9.865 13.629 1.00 2.31 C ATOM 2330 NZ LYS A 153 3.314 9.659 13.686 1.00 3.03 N ATOM 0 H LYS A 153 0.139 10.017 8.816 1.00 0.77 H new ATOM 0 HA LYS A 153 -0.669 11.572 11.100 1.00 0.93 H new ATOM 0 HB2 LYS A 153 1.117 9.877 11.170 1.00 1.13 H new ATOM 0 HB3 LYS A 153 2.030 10.768 9.969 1.00 1.13 H new ATOM 0 HG2 LYS A 153 3.075 11.525 11.867 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.826 12.747 11.730 1.00 1.19 H new ATOM 0 HD2 LYS A 153 1.883 11.979 14.026 1.00 1.68 H new ATOM 0 HD3 LYS A 153 0.390 11.419 13.301 1.00 1.68 H new ATOM 0 HE2 LYS A 153 1.402 9.605 14.592 1.00 2.31 H new ATOM 0 HE3 LYS A 153 1.410 9.190 12.890 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 3.521 8.760 14.167 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.698 9.631 12.720 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 3.754 10.442 14.211 1.00 3.03 H new ATOM 2344 N THR A 154 1.179 12.886 8.708 1.00 0.78 N ATOM 2345 CA THR A 154 1.589 14.118 8.066 1.00 0.81 C ATOM 2346 C THR A 154 0.462 14.684 7.214 1.00 0.73 C ATOM 2347 O THR A 154 0.433 15.878 6.923 1.00 0.82 O ATOM 2348 CB THR A 154 2.829 13.893 7.179 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.618 12.757 6.330 1.00 1.19 O ATOM 2350 CG2 THR A 154 4.077 13.676 8.019 1.00 1.20 C ATOM 0 H THR A 154 1.589 12.046 8.301 1.00 0.78 H new ATOM 0 HA THR A 154 1.838 14.829 8.854 1.00 0.81 H new ATOM 0 HB THR A 154 2.977 14.786 6.572 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.408 12.618 5.767 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.934 13.520 7.364 1.00 1.20 H new ATOM 0 HG22 THR A 154 4.252 14.552 8.643 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.941 12.800 8.653 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.455 13.795 6.825 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.601 14.138 5.975 1.00 0.67 C ATOM 2360 C LYS A 155 -1.155 14.395 4.528 1.00 0.66 C ATOM 2361 O LYS A 155 -1.980 14.601 3.642 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.353 15.352 6.547 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.712 15.607 5.912 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.610 14.388 6.014 1.00 1.12 C ATOM 2365 CE LYS A 155 -6.030 14.703 5.575 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.073 15.379 4.246 1.00 2.27 N ATOM 0 H LYS A 155 -0.424 12.811 7.092 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.285 13.289 5.965 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.488 15.208 7.619 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -1.734 16.240 6.420 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.191 16.455 6.402 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.580 15.877 4.864 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.207 13.585 5.396 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.618 14.026 7.042 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.608 13.780 5.530 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.506 15.340 6.320 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -7.000 15.216 3.803 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.924 16.401 4.371 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -5.325 14.992 3.636 1.00 2.27 H new ATOM 2380 N GLU A 156 0.154 14.323 4.302 1.00 0.62 N ATOM 2381 CA GLU A 156 0.755 14.614 2.998 1.00 0.66 C ATOM 2382 C GLU A 156 0.214 13.702 1.903 1.00 0.59 C ATOM 2383 O GLU A 156 -0.579 14.116 1.054 1.00 0.58 O ATOM 2384 CB GLU A 156 2.275 14.447 3.076 1.00 0.75 C ATOM 2385 CG GLU A 156 2.934 15.344 4.103 1.00 1.13 C ATOM 2386 CD GLU A 156 2.797 16.811 3.751 1.00 1.78 C ATOM 2387 OE1 GLU A 156 3.569 17.306 2.906 1.00 2.03 O ATOM 2388 OE2 GLU A 156 1.917 17.483 4.329 1.00 2.64 O ATOM 0 H GLU A 156 0.832 14.061 5.018 1.00 0.62 H new ATOM 0 HA GLU A 156 0.497 15.642 2.745 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.506 13.408 3.312 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.705 14.654 2.096 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.488 15.163 5.081 1.00 1.13 H new ATOM 0 HG3 GLU A 156 3.991 15.088 4.182 1.00 1.13 H new ATOM 2395 N GLY A 157 0.648 12.452 1.944 1.00 0.62 N ATOM 2396 CA GLY A 157 0.297 11.502 0.919 1.00 0.61 C ATOM 2397 C GLY A 157 -1.173 11.136 0.914 1.00 0.48 C ATOM 2398 O GLY A 157 -1.637 10.465 0.001 1.00 0.46 O ATOM 0 H GLY A 157 1.245 12.078 2.681 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.564 11.914 -0.054 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.889 10.597 1.055 1.00 0.61 H new ATOM 2402 N LEU A 158 -1.903 11.567 1.934 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.327 11.279 2.030 1.00 0.50 C ATOM 2404 C LEU A 158 -4.062 11.953 0.876 1.00 0.46 C ATOM 2405 O LEU A 158 -4.819 11.314 0.145 1.00 0.51 O ATOM 2406 CB LEU A 158 -3.857 11.759 3.391 1.00 0.62 C ATOM 2407 CG LEU A 158 -5.224 11.213 3.829 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -6.356 11.871 3.057 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -5.276 9.702 3.663 1.00 1.27 C ATOM 0 H LEU A 158 -1.531 12.118 2.708 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.498 10.205 1.959 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.125 11.495 4.154 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -3.916 12.847 3.369 1.00 0.62 H new ATOM 0 HG LEU A 158 -5.354 11.453 4.884 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -7.310 11.462 3.391 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -6.340 12.946 3.234 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.231 11.677 1.992 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -6.252 9.335 3.979 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.113 9.445 2.616 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -4.500 9.242 4.275 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.813 13.244 0.705 1.00 0.48 N ATOM 2422 CA ASP A 159 -4.401 14.002 -0.391 1.00 0.57 C ATOM 2423 C ASP A 159 -3.776 13.576 -1.710 1.00 0.50 C ATOM 2424 O ASP A 159 -4.448 13.499 -2.738 1.00 0.52 O ATOM 2425 CB ASP A 159 -4.186 15.500 -0.177 1.00 0.73 C ATOM 2426 CG ASP A 159 -4.853 16.011 1.084 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -4.427 15.619 2.192 1.00 2.50 O ATOM 2428 OD2 ASP A 159 -5.801 16.815 0.981 1.00 1.58 O ATOM 0 H ASP A 159 -3.205 13.791 1.315 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.472 13.801 -0.419 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.117 15.706 -0.127 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -4.576 16.046 -1.036 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.481 13.286 -1.656 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.735 12.812 -2.818 1.00 0.46 C ATOM 2435 C HIS A 160 -2.351 11.519 -3.359 1.00 0.41 C ATOM 2436 O HIS A 160 -2.423 11.309 -4.567 1.00 0.43 O ATOM 2437 CB HIS A 160 -0.267 12.595 -2.423 1.00 0.50 C ATOM 2438 CG HIS A 160 0.633 12.139 -3.533 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.151 12.989 -4.480 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.140 10.916 -3.810 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.943 12.312 -5.291 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.954 11.049 -4.906 1.00 0.67 N ATOM 0 H HIS A 160 -1.919 13.372 -0.809 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.783 13.560 -3.610 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.125 13.528 -2.019 1.00 0.50 H new ATOM 0 HB3 HIS A 160 -0.229 11.859 -1.620 1.00 0.50 H new ATOM 0 HD2 HIS A 160 0.941 10.003 -3.268 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.489 12.722 -6.128 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.481 10.297 -5.350 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.807 10.668 -2.448 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.452 9.411 -2.809 1.00 0.39 C ATOM 2453 C LEU A 161 -4.707 9.669 -3.635 1.00 0.39 C ATOM 2454 O LEU A 161 -4.896 9.078 -4.697 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.821 8.634 -1.545 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.527 7.300 -1.783 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.570 6.139 -1.579 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.737 7.177 -0.873 1.00 0.88 C ATOM 0 H LEU A 161 -2.741 10.828 -1.443 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.754 8.824 -3.406 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.911 8.448 -0.974 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.463 9.261 -0.927 1.00 0.41 H new ATOM 0 HG LEU A 161 -4.871 7.268 -2.817 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.095 5.200 -1.754 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -2.739 6.226 -2.278 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -3.189 6.157 -0.558 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -6.231 6.222 -1.052 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -5.417 7.230 0.168 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -6.432 7.990 -1.080 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.551 10.568 -3.137 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.799 10.919 -3.800 1.00 0.44 C ATOM 2472 C LEU A 162 -6.535 11.440 -5.209 1.00 0.45 C ATOM 2473 O LEU A 162 -7.273 11.133 -6.145 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.535 11.981 -2.981 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.732 11.647 -1.499 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.396 12.808 -0.777 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.558 10.380 -1.346 1.00 1.06 C ATOM 0 H LEU A 162 -5.388 11.071 -2.265 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.417 10.024 -3.875 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.984 12.919 -3.055 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.513 12.150 -3.431 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.754 11.477 -1.049 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.529 12.554 0.275 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.768 13.695 -0.860 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.368 13.008 -1.227 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -8.689 10.157 -0.287 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.534 10.524 -1.810 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.044 9.550 -1.831 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.464 12.210 -5.349 1.00 0.46 N ATOM 2490 CA GLU A 163 -5.080 12.768 -6.640 1.00 0.52 C ATOM 2491 C GLU A 163 -4.680 11.655 -7.606 1.00 0.51 C ATOM 2492 O GLU A 163 -5.059 11.673 -8.778 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.927 13.757 -6.471 1.00 0.62 C ATOM 2494 CG GLU A 163 -4.290 14.990 -5.658 1.00 1.06 C ATOM 2495 CD GLU A 163 -5.381 15.820 -6.307 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -5.139 16.371 -7.402 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -6.476 15.940 -5.719 1.00 2.49 O ATOM 0 H GLU A 163 -4.843 12.464 -4.581 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.938 13.297 -7.054 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -3.092 13.248 -5.989 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.583 14.071 -7.456 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -4.616 14.682 -4.665 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.401 15.607 -5.525 1.00 1.06 H new ATOM 2504 N MET A 164 -3.915 10.686 -7.111 1.00 0.49 N ATOM 2505 CA MET A 164 -3.518 9.536 -7.920 1.00 0.52 C ATOM 2506 C MET A 164 -4.737 8.705 -8.307 1.00 0.51 C ATOM 2507 O MET A 164 -4.826 8.199 -9.427 1.00 0.57 O ATOM 2508 CB MET A 164 -2.508 8.662 -7.172 1.00 0.53 C ATOM 2509 CG MET A 164 -1.044 8.982 -7.462 1.00 0.68 C ATOM 2510 SD MET A 164 -0.527 10.619 -6.910 1.00 0.87 S ATOM 2511 CE MET A 164 -0.979 11.638 -8.312 1.00 0.67 C ATOM 0 H MET A 164 -3.558 10.673 -6.156 1.00 0.49 H new ATOM 0 HA MET A 164 -3.045 9.914 -8.827 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.682 8.766 -6.101 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.694 7.618 -7.426 1.00 0.53 H new ATOM 0 HG2 MET A 164 -0.417 8.232 -6.980 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.871 8.900 -8.535 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.202 12.382 -8.487 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.087 11.011 -9.197 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.924 12.141 -8.106 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.671 8.567 -7.368 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.926 7.891 -7.617 1.00 0.51 C ATOM 2523 C ILE A 165 -7.654 8.543 -8.802 1.00 0.58 C ATOM 2524 O ILE A 165 -8.094 7.861 -9.734 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.799 7.957 -6.346 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.231 7.043 -5.261 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -9.240 7.605 -6.645 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.960 7.146 -3.937 1.00 0.50 C ATOM 0 H ILE A 165 -5.572 8.923 -6.417 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.734 6.848 -7.867 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.781 8.984 -5.980 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.272 6.011 -5.609 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -6.180 7.286 -5.107 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.826 7.662 -5.728 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.642 8.306 -7.376 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.292 6.593 -7.047 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.502 6.469 -3.216 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.897 8.169 -3.566 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -9.006 6.874 -4.076 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.754 9.872 -8.763 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.360 10.638 -9.844 1.00 0.72 C ATOM 2542 C LEU A 166 -7.574 10.478 -11.132 1.00 0.72 C ATOM 2543 O LEU A 166 -8.149 10.250 -12.197 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.390 12.116 -9.489 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.212 12.494 -8.264 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -9.027 13.971 -7.971 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -10.682 12.164 -8.479 1.00 1.48 C ATOM 0 H LEU A 166 -7.419 10.441 -7.986 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.373 10.260 -9.984 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.365 12.452 -9.331 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -8.778 12.667 -10.346 1.00 0.82 H new ATOM 0 HG LEU A 166 -8.866 11.915 -7.408 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -9.614 14.244 -7.094 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -7.973 14.175 -7.780 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -9.360 14.556 -8.828 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -11.251 12.442 -7.592 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -11.057 12.718 -9.339 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -10.792 11.095 -8.660 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.256 10.617 -11.017 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.355 10.530 -12.158 1.00 0.79 C ATOM 2561 C LEU A 167 -5.653 9.293 -12.990 1.00 0.87 C ATOM 2562 O LEU A 167 -5.819 9.381 -14.203 1.00 1.02 O ATOM 2563 CB LEU A 167 -3.900 10.498 -11.685 1.00 0.84 C ATOM 2564 CG LEU A 167 -2.856 10.413 -12.799 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -2.837 11.695 -13.620 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.481 10.128 -12.224 1.00 1.41 C ATOM 0 H LEU A 167 -5.785 10.793 -10.130 1.00 0.69 H new ATOM 0 HA LEU A 167 -5.510 11.412 -12.779 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -3.707 11.394 -11.095 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.769 9.644 -11.020 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.130 9.589 -13.458 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.087 11.612 -14.407 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -3.818 11.854 -14.069 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -2.593 12.538 -12.973 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -0.753 10.071 -13.033 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.200 10.928 -11.539 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.501 9.180 -11.687 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.755 8.153 -12.321 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.017 6.897 -12.986 1.00 0.96 C ATOM 2580 C VAL A 168 -7.432 6.862 -13.551 1.00 1.01 C ATOM 2581 O VAL A 168 -7.633 6.485 -14.700 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.795 5.723 -12.018 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.339 4.436 -12.592 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.317 5.579 -11.712 1.00 1.14 C ATOM 0 H VAL A 168 -5.658 8.079 -11.308 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.319 6.801 -13.818 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.333 5.933 -11.094 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.169 3.622 -11.887 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.409 4.542 -12.773 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -5.833 4.214 -13.531 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.167 4.746 -11.026 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -3.771 5.391 -12.636 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -3.949 6.497 -11.254 1.00 1.14 H new