USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 374 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 5 THR OG1 : rot 124:sc= 1.76 USER MOD Set 1.2: A 7 THR OG1 : rot -150:sc= 2.32 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.0254! (180deg=-2.04!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= 1.07 (180deg=0.85) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -11:sc= 1.1 USER MOD Single : A 14 ASN : amide:sc= -0.893 K(o=-0.89,f=-7.4!) USER MOD Single : A 22 ASN : amide:sc= -0.305 K(o=-0.31,f=-0.84) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 105:sc= 1.28 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 2.23 (180deg=1.81) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.755 0.269 9.252 1.00 0.00 N ATOM 2 CA MET A 1 -4.723 0.836 10.137 1.00 0.00 C ATOM 3 C MET A 1 -3.616 -0.197 10.214 1.00 0.00 C ATOM 4 O MET A 1 -3.813 -1.303 9.723 1.00 0.00 O ATOM 5 CB MET A 1 -4.207 2.217 9.683 1.00 0.00 C ATOM 6 CG MET A 1 -5.172 3.335 10.073 1.00 0.00 C ATOM 7 SD MET A 1 -4.800 4.991 9.426 1.00 0.00 S ATOM 8 CE MET A 1 -3.322 5.422 10.380 1.00 0.00 C ATOM 0 H1 MET A 1 -6.664 0.740 9.433 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.480 0.416 8.260 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.850 -0.750 9.438 1.00 0.00 H new ATOM 0 HA MET A 1 -5.147 1.035 11.121 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.231 2.406 10.130 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.068 2.216 8.602 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.171 3.055 9.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.204 3.393 11.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.978 6.415 10.090 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.561 5.417 11.443 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.536 4.694 10.182 1.00 0.00 H new ATOM 20 N LYS A 2 -2.515 0.165 10.864 1.00 0.00 N ATOM 21 CA LYS A 2 -1.263 -0.569 10.897 1.00 0.00 C ATOM 22 C LYS A 2 -0.652 -0.751 9.509 1.00 0.00 C ATOM 23 O LYS A 2 -1.272 -0.493 8.480 1.00 0.00 O ATOM 24 CB LYS A 2 -1.445 -1.934 11.539 1.00 0.00 C ATOM 25 CG LYS A 2 -2.247 -1.898 12.840 1.00 0.00 C ATOM 26 CD LYS A 2 -2.301 -3.362 13.256 1.00 0.00 C ATOM 27 CE LYS A 2 -3.342 -3.688 14.323 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.954 -3.169 15.647 1.00 0.00 N ATOM 0 H LYS A 2 -2.474 1.025 11.410 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.579 0.033 11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.946 -2.595 10.832 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.464 -2.366 11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.760 -1.282 13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.244 -1.486 12.687 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.504 -3.968 12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.319 -3.656 13.625 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.303 -3.263 14.034 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.476 -4.768 14.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.687 -3.411 16.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.049 -3.594 15.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.851 -2.135 15.598 1.00 0.00 H new ATOM 42 N LYS A 3 0.598 -1.196 9.497 1.00 0.00 N ATOM 43 CA LYS A 3 1.359 -1.375 8.284 1.00 0.00 C ATOM 44 C LYS A 3 0.934 -2.675 7.613 1.00 0.00 C ATOM 45 O LYS A 3 0.253 -3.500 8.220 1.00 0.00 O ATOM 46 CB LYS A 3 2.844 -1.313 8.646 1.00 0.00 C ATOM 47 CG LYS A 3 3.130 0.062 9.276 1.00 0.00 C ATOM 48 CD LYS A 3 4.570 0.243 9.764 1.00 0.00 C ATOM 49 CE LYS A 3 5.615 0.273 8.640 1.00 0.00 C ATOM 50 NZ LYS A 3 6.740 -0.636 8.930 1.00 0.00 N ATOM 0 H LYS A 3 1.111 -1.443 10.343 1.00 0.00 H new ATOM 0 HA LYS A 3 1.171 -0.587 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.099 -2.111 9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.458 -1.459 7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.906 0.838 8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.452 0.212 10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.636 1.172 10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.814 -0.568 10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.147 -0.013 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.989 1.289 8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.512 -0.460 8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.081 -0.468 9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.421 -1.622 8.841 1.00 0.00 H new ATOM 64 N TYR A 4 1.343 -2.852 6.359 1.00 0.00 N ATOM 65 CA TYR A 4 1.013 -4.038 5.573 1.00 0.00 C ATOM 66 C TYR A 4 2.138 -4.382 4.600 1.00 0.00 C ATOM 67 O TYR A 4 2.812 -3.478 4.112 1.00 0.00 O ATOM 68 CB TYR A 4 -0.257 -3.788 4.757 1.00 0.00 C ATOM 69 CG TYR A 4 -1.549 -3.897 5.535 1.00 0.00 C ATOM 70 CD1 TYR A 4 -2.095 -2.779 6.185 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.214 -5.131 5.602 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.300 -2.901 6.893 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.359 -5.278 6.399 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.902 -4.158 7.051 1.00 0.00 C ATOM 75 OH TYR A 4 -5.063 -4.271 7.757 1.00 0.00 O ATOM 0 H TYR A 4 1.916 -2.173 5.857 1.00 0.00 H new ATOM 0 HA TYR A 4 0.867 -4.864 6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.198 -2.792 4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.286 -4.499 3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.588 -1.826 6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.842 -5.973 5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.766 -2.024 7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.821 -6.248 6.511 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.348 -5.209 7.771 1.00 0.00 H new ATOM 85 N THR A 5 2.320 -5.667 4.285 1.00 0.00 N ATOM 86 CA THR A 5 3.248 -6.114 3.254 1.00 0.00 C ATOM 87 C THR A 5 2.718 -5.840 1.836 1.00 0.00 C ATOM 88 O THR A 5 1.547 -5.513 1.643 1.00 0.00 O ATOM 89 CB THR A 5 3.483 -7.620 3.422 1.00 0.00 C ATOM 90 OG1 THR A 5 2.266 -8.279 3.167 1.00 0.00 O ATOM 91 CG2 THR A 5 3.974 -7.989 4.826 1.00 0.00 C ATOM 0 H THR A 5 1.821 -6.429 4.744 1.00 0.00 H new ATOM 0 HA THR A 5 4.177 -5.556 3.372 1.00 0.00 H new ATOM 0 HB THR A 5 4.262 -7.925 2.723 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.393 -8.936 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.124 -9.067 4.888 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.917 -7.480 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.232 -7.683 5.563 1.00 0.00 H new ATOM 99 N CYS A 6 3.594 -6.047 0.847 1.00 0.00 N ATOM 100 CA CYS A 6 3.250 -6.208 -0.560 1.00 0.00 C ATOM 101 C CYS A 6 2.846 -7.663 -0.813 1.00 0.00 C ATOM 102 O CYS A 6 1.795 -7.928 -1.382 1.00 0.00 O ATOM 103 CB CYS A 6 4.450 -5.824 -1.388 1.00 0.00 C ATOM 104 SG CYS A 6 4.219 -6.017 -3.172 1.00 0.00 S ATOM 0 H CYS A 6 4.598 -6.108 1.016 1.00 0.00 H new ATOM 0 HA CYS A 6 2.411 -5.569 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.705 -4.785 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.301 -6.430 -1.076 1.00 0.00 H new ATOM 109 N THR A 7 3.706 -8.609 -0.419 1.00 0.00 N ATOM 110 CA THR A 7 3.541 -10.035 -0.703 1.00 0.00 C ATOM 111 C THR A 7 3.533 -10.314 -2.221 1.00 0.00 C ATOM 112 O THR A 7 3.096 -11.375 -2.662 1.00 0.00 O ATOM 113 CB THR A 7 2.365 -10.606 0.123 1.00 0.00 C ATOM 114 OG1 THR A 7 2.681 -10.364 1.484 1.00 0.00 O ATOM 115 CG2 THR A 7 2.113 -12.111 -0.037 1.00 0.00 C ATOM 0 H THR A 7 4.549 -8.399 0.115 1.00 0.00 H new ATOM 0 HA THR A 7 4.409 -10.600 -0.363 1.00 0.00 H new ATOM 0 HB THR A 7 1.458 -10.118 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.275 -11.059 2.043 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.268 -12.407 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.891 -12.334 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.001 -12.663 0.271 1.00 0.00 H new ATOM 123 N VAL A 8 4.117 -9.409 -3.019 1.00 0.00 N ATOM 124 CA VAL A 8 4.457 -9.641 -4.418 1.00 0.00 C ATOM 125 C VAL A 8 5.958 -9.388 -4.601 1.00 0.00 C ATOM 126 O VAL A 8 6.696 -10.332 -4.874 1.00 0.00 O ATOM 127 CB VAL A 8 3.550 -8.814 -5.351 1.00 0.00 C ATOM 128 CG1 VAL A 8 3.905 -9.045 -6.824 1.00 0.00 C ATOM 129 CG2 VAL A 8 2.075 -9.183 -5.130 1.00 0.00 C ATOM 0 H VAL A 8 4.369 -8.475 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 8 4.267 -10.677 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 8 3.709 -7.763 -5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.247 -8.447 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.940 -8.752 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.781 -10.100 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.448 -8.590 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.929 -10.242 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.800 -8.978 -4.095 1.00 0.00 H new ATOM 139 N CYS A 9 6.427 -8.147 -4.416 1.00 0.00 N ATOM 140 CA CYS A 9 7.848 -7.813 -4.471 1.00 0.00 C ATOM 141 C CYS A 9 8.465 -7.832 -3.065 1.00 0.00 C ATOM 142 O CYS A 9 9.378 -8.613 -2.801 1.00 0.00 O ATOM 143 CB CYS A 9 8.058 -6.509 -5.207 1.00 0.00 C ATOM 144 SG CYS A 9 7.191 -5.108 -4.448 1.00 0.00 S ATOM 0 H CYS A 9 5.825 -7.346 -4.223 1.00 0.00 H new ATOM 0 HA CYS A 9 8.378 -8.575 -5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.125 -6.289 -5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.719 -6.622 -6.237 1.00 0.00 H new ATOM 149 N GLY A 10 7.964 -6.985 -2.160 1.00 0.00 N ATOM 150 CA GLY A 10 8.477 -6.812 -0.807 1.00 0.00 C ATOM 151 C GLY A 10 8.514 -5.340 -0.387 1.00 0.00 C ATOM 152 O GLY A 10 9.500 -4.886 0.190 1.00 0.00 O ATOM 0 H GLY A 10 7.165 -6.384 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.854 -7.372 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.481 -7.231 -0.744 1.00 0.00 H new ATOM 156 N TYR A 11 7.430 -4.599 -0.644 1.00 0.00 N ATOM 157 CA TYR A 11 7.287 -3.184 -0.326 1.00 0.00 C ATOM 158 C TYR A 11 6.250 -3.007 0.791 1.00 0.00 C ATOM 159 O TYR A 11 5.051 -3.123 0.557 1.00 0.00 O ATOM 160 CB TYR A 11 6.895 -2.425 -1.607 1.00 0.00 C ATOM 161 CG TYR A 11 7.659 -1.137 -1.814 1.00 0.00 C ATOM 162 CD1 TYR A 11 7.363 -0.003 -1.037 1.00 0.00 C ATOM 163 CD2 TYR A 11 8.667 -1.075 -2.793 1.00 0.00 C ATOM 164 CE1 TYR A 11 8.024 1.212 -1.291 1.00 0.00 C ATOM 165 CE2 TYR A 11 9.361 0.124 -3.009 1.00 0.00 C ATOM 166 CZ TYR A 11 9.005 1.280 -2.297 1.00 0.00 C ATOM 167 OH TYR A 11 9.621 2.462 -2.577 1.00 0.00 O ATOM 0 H TYR A 11 6.602 -4.987 -1.095 1.00 0.00 H new ATOM 0 HA TYR A 11 8.229 -2.774 0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.058 -3.075 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.829 -2.202 -1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.629 -0.065 -0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.906 -1.951 -3.378 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.779 2.092 -0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.170 0.158 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 11 10.272 2.329 -3.298 1.00 0.00 H new ATOM 177 N ILE A 12 6.687 -2.759 2.029 1.00 0.00 N ATOM 178 CA ILE A 12 5.749 -2.539 3.125 1.00 0.00 C ATOM 179 C ILE A 12 5.080 -1.168 2.978 1.00 0.00 C ATOM 180 O ILE A 12 5.762 -0.145 2.935 1.00 0.00 O ATOM 181 CB ILE A 12 6.434 -2.754 4.492 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.476 -4.273 4.745 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.690 -2.041 5.639 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.453 -4.699 5.842 1.00 0.00 C ATOM 0 H ILE A 12 7.671 -2.707 2.292 1.00 0.00 H new ATOM 0 HA ILE A 12 4.952 -3.281 3.078 1.00 0.00 H new ATOM 0 HB ILE A 12 7.436 -2.326 4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.476 -4.613 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.746 -4.777 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.211 -2.223 6.579 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.660 -0.969 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.673 -2.426 5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.421 -5.782 5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.463 -4.392 5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.172 -4.226 6.783 1.00 0.00 H new ATOM 196 N TYR A 13 3.747 -1.157 2.936 1.00 0.00 N ATOM 197 CA TYR A 13 2.934 0.046 2.990 1.00 0.00 C ATOM 198 C TYR A 13 2.839 0.501 4.447 1.00 0.00 C ATOM 199 O TYR A 13 2.637 -0.330 5.340 1.00 0.00 O ATOM 200 CB TYR A 13 1.536 -0.270 2.447 1.00 0.00 C ATOM 201 CG TYR A 13 0.558 0.888 2.529 1.00 0.00 C ATOM 202 CD1 TYR A 13 -0.188 1.106 3.699 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.428 1.783 1.456 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.999 2.247 3.818 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.237 3.010 1.647 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.946 3.255 2.840 1.00 0.00 C ATOM 207 OH TYR A 13 -1.740 4.368 2.945 1.00 0.00 O ATOM 0 H TYR A 13 3.194 -2.011 2.861 1.00 0.00 H new ATOM 0 HA TYR A 13 3.379 0.837 2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.625 -0.582 1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.127 -1.116 3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.138 0.394 4.510 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.836 1.532 0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.664 2.350 4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.203 3.766 0.876 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.401 4.233 3.656 1.00 0.00 H new ATOM 217 N ASN A 14 2.939 1.815 4.681 1.00 0.00 N ATOM 218 CA ASN A 14 2.761 2.425 5.992 1.00 0.00 C ATOM 219 C ASN A 14 1.676 3.492 5.927 1.00 0.00 C ATOM 220 O ASN A 14 1.868 4.501 5.257 1.00 0.00 O ATOM 221 CB ASN A 14 4.084 3.030 6.473 1.00 0.00 C ATOM 222 CG ASN A 14 3.989 3.532 7.911 1.00 0.00 C ATOM 223 OD1 ASN A 14 2.952 3.434 8.558 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.090 4.023 8.451 1.00 0.00 N ATOM 0 H ASN A 14 3.150 2.491 3.947 1.00 0.00 H new ATOM 0 HA ASN A 14 2.452 1.659 6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.873 2.282 6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.366 3.855 5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.088 4.329 9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.942 4.096 7.895 1.00 0.00 H new ATOM 231 N PRO A 15 0.534 3.314 6.608 1.00 0.00 N ATOM 232 CA PRO A 15 -0.558 4.257 6.490 1.00 0.00 C ATOM 233 C PRO A 15 -0.199 5.610 7.054 1.00 0.00 C ATOM 234 O PRO A 15 -0.564 6.613 6.455 1.00 0.00 O ATOM 235 CB PRO A 15 -1.752 3.655 7.222 1.00 0.00 C ATOM 236 CG PRO A 15 -1.129 2.622 8.154 1.00 0.00 C ATOM 237 CD PRO A 15 0.219 2.248 7.543 1.00 0.00 C ATOM 0 HA PRO A 15 -0.793 4.425 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.303 4.413 7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.455 3.194 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.001 3.030 9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.770 1.745 8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.987 2.161 8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.166 1.285 7.036 1.00 0.00 H new ATOM 245 N GLU A 16 0.520 5.657 8.174 1.00 0.00 N ATOM 246 CA GLU A 16 0.884 6.918 8.787 1.00 0.00 C ATOM 247 C GLU A 16 1.692 7.788 7.822 1.00 0.00 C ATOM 248 O GLU A 16 1.570 9.011 7.838 1.00 0.00 O ATOM 249 CB GLU A 16 1.629 6.636 10.088 1.00 0.00 C ATOM 250 CG GLU A 16 0.706 5.919 11.089 1.00 0.00 C ATOM 251 CD GLU A 16 1.138 6.139 12.533 1.00 0.00 C ATOM 252 OE1 GLU A 16 1.183 7.322 12.935 1.00 0.00 O ATOM 253 OE2 GLU A 16 1.383 5.120 13.213 1.00 0.00 O ATOM 0 H GLU A 16 0.859 4.833 8.670 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.014 7.489 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.506 6.021 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.988 7.571 10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.315 6.277 10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.699 4.851 10.873 1.00 0.00 H new ATOM 260 N ASP A 17 2.465 7.140 6.949 1.00 0.00 N ATOM 261 CA ASP A 17 3.260 7.809 5.927 1.00 0.00 C ATOM 262 C ASP A 17 2.429 7.988 4.652 1.00 0.00 C ATOM 263 O ASP A 17 2.625 8.940 3.898 1.00 0.00 O ATOM 264 CB ASP A 17 4.502 6.966 5.617 1.00 0.00 C ATOM 265 CG ASP A 17 5.514 6.856 6.751 1.00 0.00 C ATOM 266 OD1 ASP A 17 5.643 7.831 7.520 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.152 5.780 6.827 1.00 0.00 O ATOM 0 H ASP A 17 2.555 6.124 6.935 1.00 0.00 H new ATOM 0 HA ASP A 17 3.565 8.789 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.180 5.962 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.001 7.391 4.746 1.00 0.00 H new ATOM 272 N GLY A 18 1.503 7.061 4.401 1.00 0.00 N ATOM 273 CA GLY A 18 0.803 6.935 3.143 1.00 0.00 C ATOM 274 C GLY A 18 1.766 6.568 2.015 1.00 0.00 C ATOM 275 O GLY A 18 2.872 6.089 2.254 1.00 0.00 O ATOM 0 H GLY A 18 1.220 6.365 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.029 6.172 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.301 7.873 2.907 1.00 0.00 H new ATOM 279 N ASP A 19 1.330 6.829 0.783 1.00 0.00 N ATOM 280 CA ASP A 19 2.130 6.745 -0.432 1.00 0.00 C ATOM 281 C ASP A 19 1.747 7.936 -1.328 1.00 0.00 C ATOM 282 O ASP A 19 1.236 7.759 -2.442 1.00 0.00 O ATOM 283 CB ASP A 19 1.906 5.368 -1.098 1.00 0.00 C ATOM 284 CG ASP A 19 3.082 4.425 -0.899 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.190 4.824 -1.320 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.842 3.309 -0.391 1.00 0.00 O ATOM 0 H ASP A 19 0.369 7.117 0.600 1.00 0.00 H new ATOM 0 HA ASP A 19 3.199 6.812 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.005 4.912 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.734 5.508 -2.165 1.00 0.00 H new ATOM 291 N PRO A 20 1.953 9.180 -0.863 1.00 0.00 N ATOM 292 CA PRO A 20 1.466 10.360 -1.561 1.00 0.00 C ATOM 293 C PRO A 20 2.121 10.501 -2.930 1.00 0.00 C ATOM 294 O PRO A 20 1.497 11.020 -3.851 1.00 0.00 O ATOM 295 CB PRO A 20 1.764 11.556 -0.657 1.00 0.00 C ATOM 296 CG PRO A 20 2.865 11.054 0.278 1.00 0.00 C ATOM 297 CD PRO A 20 2.599 9.552 0.385 1.00 0.00 C ATOM 0 HA PRO A 20 0.396 10.289 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.095 12.419 -1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.879 11.865 -0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.856 11.256 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.814 11.539 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.527 8.999 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.961 9.327 1.239 1.00 0.00 H new ATOM 305 N ASP A 21 3.347 9.992 -3.078 1.00 0.00 N ATOM 306 CA ASP A 21 4.082 10.026 -4.325 1.00 0.00 C ATOM 307 C ASP A 21 3.323 9.248 -5.404 1.00 0.00 C ATOM 308 O ASP A 21 3.442 9.539 -6.592 1.00 0.00 O ATOM 309 CB ASP A 21 5.467 9.410 -4.079 1.00 0.00 C ATOM 310 CG ASP A 21 6.389 10.272 -3.221 1.00 0.00 C ATOM 311 OD1 ASP A 21 6.172 11.502 -3.182 1.00 0.00 O ATOM 312 OD2 ASP A 21 7.303 9.675 -2.614 1.00 0.00 O ATOM 0 H ASP A 21 3.856 9.540 -2.318 1.00 0.00 H new ATOM 0 HA ASP A 21 4.194 11.053 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.341 8.441 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.948 9.228 -5.040 1.00 0.00 H new ATOM 317 N ASN A 22 2.546 8.248 -4.977 1.00 0.00 N ATOM 318 CA ASN A 22 1.777 7.357 -5.834 1.00 0.00 C ATOM 319 C ASN A 22 0.315 7.783 -5.891 1.00 0.00 C ATOM 320 O ASN A 22 -0.372 7.512 -6.872 1.00 0.00 O ATOM 321 CB ASN A 22 1.895 5.924 -5.312 1.00 0.00 C ATOM 322 CG ASN A 22 3.347 5.496 -5.150 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.947 4.950 -6.071 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.913 5.741 -3.973 1.00 0.00 N ATOM 0 H ASN A 22 2.435 8.033 -3.986 1.00 0.00 H new ATOM 0 HA ASN A 22 2.179 7.408 -6.846 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.384 5.844 -4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.391 5.245 -5.999 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.883 5.473 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.377 6.197 -3.235 1.00 0.00 H new ATOM 331 N GLY A 23 -0.152 8.445 -4.832 1.00 0.00 N ATOM 332 CA GLY A 23 -1.449 9.106 -4.786 1.00 0.00 C ATOM 333 C GLY A 23 -2.247 8.804 -3.515 1.00 0.00 C ATOM 334 O GLY A 23 -3.456 9.026 -3.489 1.00 0.00 O ATOM 0 H GLY A 23 0.376 8.536 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.301 10.183 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.034 8.800 -5.653 1.00 0.00 H new ATOM 338 N VAL A 24 -1.599 8.298 -2.461 1.00 0.00 N ATOM 339 CA VAL A 24 -2.244 7.881 -1.225 1.00 0.00 C ATOM 340 C VAL A 24 -1.753 8.785 -0.097 1.00 0.00 C ATOM 341 O VAL A 24 -0.597 8.717 0.299 1.00 0.00 O ATOM 342 CB VAL A 24 -1.896 6.409 -0.981 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.370 5.925 0.384 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.530 5.527 -2.061 1.00 0.00 C ATOM 0 H VAL A 24 -0.588 8.166 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.329 7.971 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.809 6.332 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.101 4.876 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.896 6.519 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.452 6.033 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.274 4.484 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.613 5.645 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.154 5.824 -3.040 1.00 0.00 H new ATOM 354 N ASN A 25 -2.616 9.655 0.416 1.00 0.00 N ATOM 355 CA ASN A 25 -2.238 10.613 1.448 1.00 0.00 C ATOM 356 C ASN A 25 -1.814 9.901 2.738 1.00 0.00 C ATOM 357 O ASN A 25 -2.246 8.774 2.984 1.00 0.00 O ATOM 358 CB ASN A 25 -3.414 11.563 1.713 1.00 0.00 C ATOM 359 CG ASN A 25 -3.433 12.717 0.717 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.099 13.846 1.061 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.805 12.451 -0.532 1.00 0.00 N ATOM 0 H ASN A 25 -3.593 9.716 0.130 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.381 11.188 1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.351 11.010 1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.344 11.957 2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.817 13.195 -1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.078 11.503 -0.792 1.00 0.00 H new ATOM 368 N PRO A 26 -0.994 10.535 3.591 1.00 0.00 N ATOM 369 CA PRO A 26 -0.714 9.996 4.906 1.00 0.00 C ATOM 370 C PRO A 26 -1.998 9.865 5.717 1.00 0.00 C ATOM 371 O PRO A 26 -2.953 10.620 5.539 1.00 0.00 O ATOM 372 CB PRO A 26 0.295 10.929 5.567 1.00 0.00 C ATOM 373 CG PRO A 26 0.201 12.226 4.767 1.00 0.00 C ATOM 374 CD PRO A 26 -0.336 11.814 3.393 1.00 0.00 C ATOM 0 HA PRO A 26 -0.296 8.992 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.055 11.093 6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.302 10.513 5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.465 12.940 5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.175 12.707 4.681 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.034 12.557 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.472 11.729 2.667 1.00 0.00 H new ATOM 382 N GLY A 27 -2.008 8.865 6.591 1.00 0.00 N ATOM 383 CA GLY A 27 -3.150 8.476 7.387 1.00 0.00 C ATOM 384 C GLY A 27 -4.221 7.765 6.570 1.00 0.00 C ATOM 385 O GLY A 27 -5.341 7.639 7.061 1.00 0.00 O ATOM 0 H GLY A 27 -1.187 8.286 6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.820 7.821 8.193 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.582 9.362 7.852 1.00 0.00 H new ATOM 389 N THR A 28 -3.919 7.268 5.360 1.00 0.00 N ATOM 390 CA THR A 28 -4.908 6.528 4.615 1.00 0.00 C ATOM 391 C THR A 28 -4.791 5.081 5.043 1.00 0.00 C ATOM 392 O THR A 28 -3.754 4.448 4.827 1.00 0.00 O ATOM 393 CB THR A 28 -4.662 6.688 3.116 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.802 8.039 2.738 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.692 5.884 2.340 1.00 0.00 C ATOM 0 H THR A 28 -3.015 7.370 4.899 1.00 0.00 H new ATOM 0 HA THR A 28 -5.914 6.897 4.813 1.00 0.00 H new ATOM 0 HB THR A 28 -3.653 6.339 2.898 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.916 8.430 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.514 6.000 1.271 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.610 4.831 2.609 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.692 6.243 2.582 1.00 0.00 H new ATOM 403 N ASP A 29 -5.864 4.560 5.628 1.00 0.00 N ATOM 404 CA ASP A 29 -5.972 3.153 5.925 1.00 0.00 C ATOM 405 C ASP A 29 -5.834 2.375 4.632 1.00 0.00 C ATOM 406 O ASP A 29 -6.464 2.723 3.637 1.00 0.00 O ATOM 407 CB ASP A 29 -7.330 2.854 6.550 1.00 0.00 C ATOM 408 CG ASP A 29 -7.319 1.529 7.274 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.622 0.603 6.798 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.873 1.445 8.392 1.00 0.00 O ATOM 0 H ASP A 29 -6.678 5.108 5.906 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.189 2.865 6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.596 3.649 7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.095 2.841 5.774 1.00 0.00 H new ATOM 415 N PHE A 30 -5.066 1.292 4.665 1.00 0.00 N ATOM 416 CA PHE A 30 -4.980 0.353 3.566 1.00 0.00 C ATOM 417 C PHE A 30 -6.364 0.005 3.023 1.00 0.00 C ATOM 418 O PHE A 30 -6.537 -0.157 1.812 1.00 0.00 O ATOM 419 CB PHE A 30 -4.258 -0.912 4.027 1.00 0.00 C ATOM 420 CG PHE A 30 -3.515 -1.595 2.904 1.00 0.00 C ATOM 421 CD1 PHE A 30 -4.204 -2.139 1.806 1.00 0.00 C ATOM 422 CD2 PHE A 30 -2.113 -1.580 2.909 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.488 -2.644 0.711 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.398 -2.151 1.849 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.087 -2.662 0.748 1.00 0.00 C ATOM 0 H PHE A 30 -4.483 1.044 5.464 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.415 0.820 2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.556 -0.657 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.983 -1.605 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.284 -2.168 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.583 -1.126 3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.013 -3.017 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.319 -2.196 1.883 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.535 -3.075 -0.083 1.00 0.00 H new ATOM 435 N LYS A 31 -7.374 -0.114 3.891 1.00 0.00 N ATOM 436 CA LYS A 31 -8.685 -0.465 3.363 1.00 0.00 C ATOM 437 C LYS A 31 -9.230 0.667 2.486 1.00 0.00 C ATOM 438 O LYS A 31 -9.814 0.409 1.437 1.00 0.00 O ATOM 439 CB LYS A 31 -9.634 -0.920 4.466 1.00 0.00 C ATOM 440 CG LYS A 31 -10.032 0.271 5.319 1.00 0.00 C ATOM 441 CD LYS A 31 -10.871 -0.178 6.503 1.00 0.00 C ATOM 442 CE LYS A 31 -11.217 1.066 7.332 1.00 0.00 C ATOM 443 NZ LYS A 31 -12.334 0.823 8.261 1.00 0.00 N ATOM 0 H LYS A 31 -7.315 0.019 4.901 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.586 -1.332 2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.521 -1.380 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.153 -1.678 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.139 0.786 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.595 0.985 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.779 -0.674 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.322 -0.900 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.339 1.380 7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.476 1.886 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.533 1.690 8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.180 0.549 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.079 0.058 8.918 1.00 0.00 H new ATOM 457 N ASP A 32 -8.986 1.909 2.909 1.00 0.00 N ATOM 458 CA ASP A 32 -9.508 3.116 2.294 1.00 0.00 C ATOM 459 C ASP A 32 -8.747 3.433 1.005 1.00 0.00 C ATOM 460 O ASP A 32 -9.247 4.190 0.175 1.00 0.00 O ATOM 461 CB ASP A 32 -9.416 4.294 3.280 1.00 0.00 C ATOM 462 CG ASP A 32 -10.228 4.122 4.562 1.00 0.00 C ATOM 463 OD1 ASP A 32 -11.181 3.312 4.563 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.862 4.795 5.549 1.00 0.00 O ATOM 0 H ASP A 32 -8.397 2.101 3.719 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.556 2.955 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.370 4.445 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.750 5.200 2.774 1.00 0.00 H new ATOM 469 N ILE A 33 -7.543 2.873 0.814 1.00 0.00 N ATOM 470 CA ILE A 33 -6.797 3.032 -0.415 1.00 0.00 C ATOM 471 C ILE A 33 -7.686 2.614 -1.586 1.00 0.00 C ATOM 472 O ILE A 33 -8.291 1.540 -1.518 1.00 0.00 O ATOM 473 CB ILE A 33 -5.564 2.144 -0.350 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.649 2.603 0.776 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.753 2.134 -1.624 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.300 1.890 0.775 1.00 0.00 C ATOM 0 H ILE A 33 -7.071 2.301 1.514 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.490 4.069 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.940 1.135 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.486 3.677 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.144 2.431 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.890 1.479 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.370 1.771 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.412 3.145 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.692 2.260 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.455 0.817 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.787 2.083 -0.167 1.00 0.00 H new ATOM 488 N PRO A 34 -7.735 3.404 -2.662 1.00 0.00 N ATOM 489 CA PRO A 34 -8.533 3.076 -3.820 1.00 0.00 C ATOM 490 C PRO A 34 -7.989 1.813 -4.478 1.00 0.00 C ATOM 491 O PRO A 34 -6.781 1.654 -4.621 1.00 0.00 O ATOM 492 CB PRO A 34 -8.439 4.279 -4.761 1.00 0.00 C ATOM 493 CG PRO A 34 -7.318 5.171 -4.210 1.00 0.00 C ATOM 494 CD PRO A 34 -6.867 4.540 -2.892 1.00 0.00 C ATOM 0 HA PRO A 34 -9.572 2.878 -3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.217 3.960 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.385 4.820 -4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.489 5.231 -4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.675 6.188 -4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.825 4.227 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.940 5.256 -2.074 1.00 0.00 H new ATOM 502 N ASP A 35 -8.877 0.932 -4.931 1.00 0.00 N ATOM 503 CA ASP A 35 -8.517 -0.288 -5.628 1.00 0.00 C ATOM 504 C ASP A 35 -7.871 0.010 -6.990 1.00 0.00 C ATOM 505 O ASP A 35 -7.278 -0.874 -7.602 1.00 0.00 O ATOM 506 CB ASP A 35 -9.782 -1.149 -5.717 1.00 0.00 C ATOM 507 CG ASP A 35 -9.904 -2.155 -4.570 1.00 0.00 C ATOM 508 OD1 ASP A 35 -9.453 -1.825 -3.447 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.471 -3.234 -4.833 1.00 0.00 O ATOM 0 H ASP A 35 -9.884 1.053 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.752 -0.842 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.657 -0.499 -5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.783 -1.686 -6.665 1.00 0.00 H new ATOM 514 N ASP A 36 -7.941 1.268 -7.441 1.00 0.00 N ATOM 515 CA ASP A 36 -7.219 1.773 -8.600 1.00 0.00 C ATOM 516 C ASP A 36 -5.713 1.906 -8.330 1.00 0.00 C ATOM 517 O ASP A 36 -4.909 1.966 -9.258 1.00 0.00 O ATOM 518 CB ASP A 36 -7.837 3.098 -9.050 1.00 0.00 C ATOM 519 CG ASP A 36 -8.510 3.022 -10.416 1.00 0.00 C ATOM 520 OD1 ASP A 36 -7.787 2.760 -11.400 1.00 0.00 O ATOM 521 OD2 ASP A 36 -9.739 3.249 -10.449 1.00 0.00 O ATOM 0 H ASP A 36 -8.520 1.978 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.315 1.049 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.570 3.418 -8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.059 3.861 -9.079 1.00 0.00 H new ATOM 526 N TRP A 37 -5.319 2.005 -7.056 1.00 0.00 N ATOM 527 CA TRP A 37 -3.927 2.180 -6.671 1.00 0.00 C ATOM 528 C TRP A 37 -3.152 0.876 -6.867 1.00 0.00 C ATOM 529 O TRP A 37 -3.725 -0.211 -6.841 1.00 0.00 O ATOM 530 CB TRP A 37 -3.864 2.650 -5.215 1.00 0.00 C ATOM 531 CG TRP A 37 -2.500 2.795 -4.618 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.664 3.849 -4.743 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.798 1.826 -3.791 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.527 3.620 -3.993 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.556 2.385 -3.379 1.00 0.00 C ATOM 536 CE3 TRP A 37 -2.099 0.523 -3.351 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.332 1.696 -2.541 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.213 -0.185 -2.518 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.000 0.400 -2.113 1.00 0.00 C ATOM 0 H TRP A 37 -5.963 1.965 -6.266 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.463 2.936 -7.304 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.371 3.612 -5.145 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.430 1.946 -4.605 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.855 4.731 -5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.242 4.284 -3.904 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.025 0.059 -3.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.258 2.155 -2.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.466 -1.182 -2.188 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.676 -0.147 -1.473 1.00 0.00 H new ATOM 550 N VAL A 38 -1.836 0.995 -7.043 1.00 0.00 N ATOM 551 CA VAL A 38 -0.915 -0.100 -7.288 1.00 0.00 C ATOM 552 C VAL A 38 0.333 0.088 -6.423 1.00 0.00 C ATOM 553 O VAL A 38 0.606 1.191 -5.951 1.00 0.00 O ATOM 554 CB VAL A 38 -0.566 -0.153 -8.784 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.601 -0.987 -9.547 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.450 1.239 -9.426 1.00 0.00 C ATOM 0 H VAL A 38 -1.368 1.901 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.375 -1.050 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 38 0.415 -0.623 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.338 -1.014 -10.605 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.614 -2.002 -9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.588 -0.539 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.202 1.133 -10.482 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.399 1.765 -9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.334 1.807 -8.924 1.00 0.00 H new ATOM 566 N CYS A 39 1.070 -1.004 -6.207 1.00 0.00 N ATOM 567 CA CYS A 39 2.255 -1.038 -5.363 1.00 0.00 C ATOM 568 C CYS A 39 3.381 -0.219 -6.018 1.00 0.00 C ATOM 569 O CYS A 39 3.588 -0.326 -7.230 1.00 0.00 O ATOM 570 CB CYS A 39 2.626 -2.489 -5.146 1.00 0.00 C ATOM 571 SG CYS A 39 4.148 -2.709 -4.189 1.00 0.00 S ATOM 0 H CYS A 39 0.850 -1.907 -6.626 1.00 0.00 H new ATOM 0 HA CYS A 39 2.071 -0.583 -4.390 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.807 -2.992 -4.632 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.742 -2.975 -6.115 1.00 0.00 H new ATOM 576 N PRO A 40 4.096 0.632 -5.262 1.00 0.00 N ATOM 577 CA PRO A 40 5.189 1.424 -5.800 1.00 0.00 C ATOM 578 C PRO A 40 6.309 0.522 -6.327 1.00 0.00 C ATOM 579 O PRO A 40 6.835 -0.314 -5.598 1.00 0.00 O ATOM 580 CB PRO A 40 5.676 2.311 -4.647 1.00 0.00 C ATOM 581 CG PRO A 40 5.210 1.574 -3.395 1.00 0.00 C ATOM 582 CD PRO A 40 3.921 0.894 -3.843 1.00 0.00 C ATOM 0 HA PRO A 40 4.866 2.029 -6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.760 2.427 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.248 3.312 -4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.950 0.849 -3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.035 2.260 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.752 -0.030 -3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.057 1.534 -3.665 1.00 0.00 H new ATOM 590 N LEU A 41 6.702 0.729 -7.589 1.00 0.00 N ATOM 591 CA LEU A 41 7.823 0.044 -8.229 1.00 0.00 C ATOM 592 C LEU A 41 7.561 -1.458 -8.368 1.00 0.00 C ATOM 593 O LEU A 41 8.488 -2.262 -8.300 1.00 0.00 O ATOM 594 CB LEU A 41 9.148 0.330 -7.493 1.00 0.00 C ATOM 595 CG LEU A 41 9.401 1.823 -7.226 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.703 1.998 -6.437 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.502 2.619 -8.533 1.00 0.00 C ATOM 0 H LEU A 41 6.236 1.394 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 41 7.920 0.444 -9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.147 -0.204 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.973 -0.069 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 41 8.556 2.203 -6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.876 3.058 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.626 1.471 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.534 1.590 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.681 3.670 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.326 2.232 -9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.571 2.522 -9.091 1.00 0.00 H new ATOM 609 N CYS A 42 6.301 -1.829 -8.607 1.00 0.00 N ATOM 610 CA CYS A 42 5.842 -3.203 -8.667 1.00 0.00 C ATOM 611 C CYS A 42 4.640 -3.216 -9.614 1.00 0.00 C ATOM 612 O CYS A 42 4.088 -2.160 -9.926 1.00 0.00 O ATOM 613 CB CYS A 42 5.526 -3.611 -7.253 1.00 0.00 C ATOM 614 SG CYS A 42 4.868 -5.288 -7.060 1.00 0.00 S ATOM 0 H CYS A 42 5.554 -1.153 -8.768 1.00 0.00 H new ATOM 0 HA CYS A 42 6.568 -3.918 -9.054 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.434 -3.523 -6.656 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.804 -2.906 -6.841 1.00 0.00 H new ATOM 619 N GLY A 43 4.285 -4.391 -10.136 1.00 0.00 N ATOM 620 CA GLY A 43 3.250 -4.563 -11.143 1.00 0.00 C ATOM 621 C GLY A 43 2.119 -5.390 -10.551 1.00 0.00 C ATOM 622 O GLY A 43 2.303 -6.585 -10.337 1.00 0.00 O ATOM 0 H GLY A 43 4.724 -5.269 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.876 -3.592 -11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.659 -5.059 -12.023 1.00 0.00 H new ATOM 626 N VAL A 44 0.966 -4.749 -10.319 1.00 0.00 N ATOM 627 CA VAL A 44 -0.193 -5.275 -9.600 1.00 0.00 C ATOM 628 C VAL A 44 0.079 -5.188 -8.095 1.00 0.00 C ATOM 629 O VAL A 44 1.072 -5.709 -7.603 1.00 0.00 O ATOM 630 CB VAL A 44 -0.619 -6.690 -10.053 1.00 0.00 C ATOM 631 CG1 VAL A 44 -1.919 -7.111 -9.355 1.00 0.00 C ATOM 632 CG2 VAL A 44 -0.840 -6.748 -11.571 1.00 0.00 C ATOM 0 H VAL A 44 0.812 -3.796 -10.648 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.056 -4.656 -9.845 1.00 0.00 H new ATOM 0 HB VAL A 44 0.188 -7.370 -9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.203 -8.110 -9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.767 -7.116 -8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.712 -6.406 -9.606 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.139 -7.757 -11.857 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.624 -6.044 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.085 -6.484 -12.084 1.00 0.00 H new ATOM 642 N GLY A 45 -0.803 -4.505 -7.363 1.00 0.00 N ATOM 643 CA GLY A 45 -0.726 -4.355 -5.923 1.00 0.00 C ATOM 644 C GLY A 45 -2.127 -4.055 -5.414 1.00 0.00 C ATOM 645 O GLY A 45 -3.030 -3.872 -6.229 1.00 0.00 O ATOM 0 H GLY A 45 -1.608 -4.032 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.339 -5.265 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.042 -3.549 -5.658 1.00 0.00 H new ATOM 649 N LYS A 46 -2.306 -4.019 -4.089 1.00 0.00 N ATOM 650 CA LYS A 46 -3.618 -3.938 -3.460 1.00 0.00 C ATOM 651 C LYS A 46 -4.524 -5.065 -3.972 1.00 0.00 C ATOM 652 O LYS A 46 -5.470 -4.869 -4.728 1.00 0.00 O ATOM 653 CB LYS A 46 -4.189 -2.512 -3.539 1.00 0.00 C ATOM 654 CG LYS A 46 -5.714 -2.430 -3.397 1.00 0.00 C ATOM 655 CD LYS A 46 -6.196 -1.147 -2.731 1.00 0.00 C ATOM 656 CE LYS A 46 -6.158 -1.295 -1.209 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.446 -0.868 -0.611 1.00 0.00 N ATOM 0 H LYS A 46 -1.535 -4.046 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.537 -4.118 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.731 -1.907 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.901 -2.071 -4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.167 -2.509 -4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.063 -3.284 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.568 -0.311 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.211 -0.919 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.954 -2.332 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.345 -0.696 -0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.282 -0.521 0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.860 -0.107 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.100 -1.676 -0.583 1.00 0.00 H new ATOM 671 N ASP A 47 -4.219 -6.262 -3.479 1.00 0.00 N ATOM 672 CA ASP A 47 -5.030 -7.460 -3.630 1.00 0.00 C ATOM 673 C ASP A 47 -4.755 -8.374 -2.438 1.00 0.00 C ATOM 674 O ASP A 47 -5.578 -8.505 -1.536 1.00 0.00 O ATOM 675 CB ASP A 47 -4.705 -8.139 -4.966 1.00 0.00 C ATOM 676 CG ASP A 47 -5.255 -9.556 -5.015 1.00 0.00 C ATOM 677 OD1 ASP A 47 -6.449 -9.716 -4.686 1.00 0.00 O ATOM 678 OD2 ASP A 47 -4.457 -10.456 -5.354 1.00 0.00 O ATOM 0 H ASP A 47 -3.367 -6.427 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.092 -7.216 -3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.126 -7.555 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.625 -8.161 -5.112 1.00 0.00 H new ATOM 683 N GLN A 48 -3.545 -8.934 -2.406 1.00 0.00 N ATOM 684 CA GLN A 48 -3.082 -9.859 -1.383 1.00 0.00 C ATOM 685 C GLN A 48 -1.956 -9.183 -0.591 1.00 0.00 C ATOM 686 O GLN A 48 -0.838 -9.104 -1.082 1.00 0.00 O ATOM 687 CB GLN A 48 -2.626 -11.153 -2.086 1.00 0.00 C ATOM 688 CG GLN A 48 -3.247 -12.395 -1.440 1.00 0.00 C ATOM 689 CD GLN A 48 -2.840 -13.673 -2.168 1.00 0.00 C ATOM 690 OE1 GLN A 48 -3.683 -14.443 -2.614 1.00 0.00 O ATOM 691 NE2 GLN A 48 -1.539 -13.924 -2.285 1.00 0.00 N ATOM 0 H GLN A 48 -2.840 -8.746 -3.118 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.867 -10.121 -0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.904 -11.113 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.539 -11.226 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.937 -12.456 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.333 -12.303 -1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.857 -13.268 -1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.224 -14.773 -2.754 1.00 0.00 H new ATOM 700 N PHE A 49 -2.250 -8.665 0.606 1.00 0.00 N ATOM 701 CA PHE A 49 -1.320 -7.917 1.449 1.00 0.00 C ATOM 702 C PHE A 49 -1.558 -8.344 2.902 1.00 0.00 C ATOM 703 O PHE A 49 -2.706 -8.420 3.337 1.00 0.00 O ATOM 704 CB PHE A 49 -1.524 -6.398 1.248 1.00 0.00 C ATOM 705 CG PHE A 49 -2.975 -5.939 1.236 1.00 0.00 C ATOM 706 CD1 PHE A 49 -3.767 -6.117 0.089 1.00 0.00 C ATOM 707 CD2 PHE A 49 -3.551 -5.374 2.386 1.00 0.00 C ATOM 708 CE1 PHE A 49 -5.143 -5.830 0.125 1.00 0.00 C ATOM 709 CE2 PHE A 49 -4.933 -5.133 2.446 1.00 0.00 C ATOM 710 CZ PHE A 49 -5.733 -5.364 1.313 1.00 0.00 C ATOM 0 H PHE A 49 -3.175 -8.760 1.026 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.286 -8.132 1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.998 -5.868 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.059 -6.106 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.317 -6.476 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.926 -5.123 3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.747 -5.968 -0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.380 -4.771 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.797 -5.184 1.355 1.00 0.00 H new ATOM 720 N GLU A 50 -0.491 -8.662 3.640 1.00 0.00 N ATOM 721 CA GLU A 50 -0.542 -9.155 5.015 1.00 0.00 C ATOM 722 C GLU A 50 -0.328 -7.990 5.976 1.00 0.00 C ATOM 723 O GLU A 50 0.377 -7.052 5.630 1.00 0.00 O ATOM 724 CB GLU A 50 0.574 -10.187 5.214 1.00 0.00 C ATOM 725 CG GLU A 50 0.269 -11.488 4.460 1.00 0.00 C ATOM 726 CD GLU A 50 1.516 -12.344 4.327 1.00 0.00 C ATOM 727 OE1 GLU A 50 1.815 -13.074 5.293 1.00 0.00 O ATOM 728 OE2 GLU A 50 2.154 -12.237 3.257 1.00 0.00 O ATOM 0 H GLU A 50 0.461 -8.580 3.284 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.511 -9.614 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.521 -9.775 4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.692 -10.399 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.505 -12.046 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.124 -11.256 3.470 1.00 0.00 H new ATOM 735 N GLU A 51 -0.910 -8.025 7.176 1.00 0.00 N ATOM 736 CA GLU A 51 -0.745 -6.978 8.160 1.00 0.00 C ATOM 737 C GLU A 51 0.639 -7.102 8.800 1.00 0.00 C ATOM 738 O GLU A 51 1.117 -8.208 9.048 1.00 0.00 O ATOM 739 CB GLU A 51 -1.902 -7.128 9.156 1.00 0.00 C ATOM 740 CG GLU A 51 -1.768 -6.198 10.355 1.00 0.00 C ATOM 741 CD GLU A 51 -2.994 -6.250 11.261 1.00 0.00 C ATOM 742 OE1 GLU A 51 -4.112 -6.143 10.712 1.00 0.00 O ATOM 743 OE2 GLU A 51 -2.792 -6.343 12.492 1.00 0.00 O ATOM 0 H GLU A 51 -1.511 -8.789 7.485 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.785 -5.977 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.844 -6.924 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.945 -8.160 9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.882 -6.472 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.619 -5.176 10.006 1.00 0.00 H new ATOM 750 N VAL A 52 1.289 -5.965 9.054 1.00 0.00 N ATOM 751 CA VAL A 52 2.569 -5.858 9.709 1.00 0.00 C ATOM 752 C VAL A 52 2.302 -5.317 11.117 1.00 0.00 C ATOM 753 O VAL A 52 1.980 -4.140 11.293 1.00 0.00 O ATOM 754 CB VAL A 52 3.451 -4.932 8.858 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.665 -4.458 9.641 1.00 0.00 C ATOM 756 CG2 VAL A 52 3.923 -5.617 7.582 1.00 0.00 C ATOM 0 H VAL A 52 0.908 -5.056 8.791 1.00 0.00 H new ATOM 0 HA VAL A 52 3.095 -6.808 9.805 1.00 0.00 H new ATOM 0 HB VAL A 52 2.833 -4.075 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.270 -3.804 9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.337 -3.910 10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.259 -5.319 9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.544 -4.929 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.504 -6.503 7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.059 -5.910 6.985 1.00 0.00 H new ATOM 766 N GLU A 53 2.443 -6.185 12.119 1.00 0.00 N ATOM 767 CA GLU A 53 2.225 -5.897 13.521 1.00 0.00 C ATOM 768 C GLU A 53 3.378 -5.109 14.160 1.00 0.00 C ATOM 769 O GLU A 53 3.952 -5.514 15.169 1.00 0.00 O ATOM 770 CB GLU A 53 1.925 -7.215 14.236 1.00 0.00 C ATOM 771 CG GLU A 53 3.013 -8.302 14.135 1.00 0.00 C ATOM 772 CD GLU A 53 2.566 -9.597 14.802 1.00 0.00 C ATOM 773 OE1 GLU A 53 1.486 -10.090 14.411 1.00 0.00 O ATOM 774 OE2 GLU A 53 3.309 -10.075 15.685 1.00 0.00 O ATOM 0 H GLU A 53 2.726 -7.152 11.958 1.00 0.00 H new ATOM 0 HA GLU A 53 1.368 -5.231 13.624 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.750 -7.002 15.290 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.996 -7.620 13.834 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.244 -8.491 13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.930 -7.946 14.605 1.00 0.00 H new ATOM 781 N GLU A 54 3.673 -3.949 13.581 1.00 0.00 N ATOM 782 CA GLU A 54 4.397 -2.899 14.288 1.00 0.00 C ATOM 783 C GLU A 54 3.419 -2.184 15.230 1.00 0.00 C ATOM 784 O GLU A 54 3.906 -1.580 16.211 1.00 0.00 O ATOM 785 CB GLU A 54 5.050 -1.900 13.319 1.00 0.00 C ATOM 786 CG GLU A 54 6.062 -2.548 12.357 1.00 0.00 C ATOM 787 CD GLU A 54 7.375 -1.785 12.271 1.00 0.00 C ATOM 788 OE1 GLU A 54 8.287 -2.100 13.060 1.00 0.00 O ATOM 789 OE2 GLU A 54 7.452 -0.917 11.371 1.00 0.00 O ATOM 790 OXT GLU A 54 2.198 -2.234 14.945 1.00 0.00 O ATOM 0 H GLU A 54 3.421 -3.712 12.621 1.00 0.00 H new ATOM 0 HA GLU A 54 5.207 -3.351 14.861 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.271 -1.409 12.737 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.554 -1.124 13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.262 -3.569 12.683 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.620 -2.612 11.363 1.00 0.00 H new TER 797 GLU A 54 HETATM 798 FE FE A 55 5.052 -4.658 -4.893 1.00 0.00 FE