USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 471 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 55 HIS : no HD1:sc= -0.637 X(o=-0.97,f=-1) USER MOD Set 1.2: A 59 MET CE :methyl -169:sc= -0.334 (180deg=-0.793) USER MOD Single : A 1 TRP N :NH3+ 157:sc= 0.0577 (180deg=0.00579) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 140:sc= -1.02 (180deg=-3.44) USER MOD Single : A 8 THR OG1 : rot 71:sc= 0.386 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.085) USER MOD Single : A 19 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.37) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -137:sc= 0 (180deg=-0.385) USER MOD Single : A 29 SER OG : rot -31:sc= 0.474 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0631) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.39 F(o=-3.2!,f=-1.4) USER MOD Single : A 35 CYS SG : rot -73:sc= -1.3! USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 0.121 (180deg=-0.00403) USER MOD Single : A 37 ASN : amide:sc= -0.475 X(o=-0.47,f=-0.019) USER MOD Single : A 39 TYR OH : rot 180:sc= 0.43 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.445 F(o=-1.7!,f=-0.44) USER MOD Single : A 54 GLN : amide:sc= -0.285 K(o=-0.29,f=-3.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= -0.724 (180deg=-0.988) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 0.854 1.185 -1.673 1.00 0.00 N ATOM 2 CA TRP A 1 2.158 0.653 -2.105 1.00 0.00 C ATOM 3 C TRP A 1 2.033 -0.828 -2.505 1.00 0.00 C ATOM 4 O TRP A 1 2.295 -1.731 -1.703 1.00 0.00 O ATOM 5 CB TRP A 1 3.234 0.885 -1.011 1.00 0.00 C ATOM 6 CG TRP A 1 3.566 2.350 -0.810 1.00 0.00 C ATOM 7 CD1 TRP A 1 3.176 3.161 0.220 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.346 3.175 -1.694 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.657 4.432 0.024 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.376 4.467 -1.142 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.018 2.942 -2.898 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.058 5.524 -1.748 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.691 3.990 -3.504 1.00 0.00 C ATOM 14 CH2 TRP A 1 5.707 5.268 -2.928 1.00 0.00 C ATOM 0 H1 TRP A 1 1.002 2.012 -1.060 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.301 1.468 -2.507 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.337 0.452 -1.147 1.00 0.00 H new ATOM 0 HA TRP A 1 2.486 1.195 -2.992 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.883 0.465 -0.069 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.142 0.346 -1.282 1.00 0.00 H new ATOM 0 HD1 TRP A 1 2.578 2.848 1.063 1.00 0.00 H new ATOM 0 HE1 TRP A 1 3.503 5.225 0.647 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.012 1.960 -3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.074 6.508 -1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.212 3.820 -4.435 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.241 6.066 -3.423 1.00 0.00 H new ATOM 25 N THR A 2 1.569 -1.043 -3.751 1.00 0.00 N ATOM 26 CA THR A 2 1.500 -2.368 -4.403 1.00 0.00 C ATOM 27 C THR A 2 2.911 -2.767 -4.907 1.00 0.00 C ATOM 28 O THR A 2 3.732 -1.888 -5.164 1.00 0.00 O ATOM 29 CB THR A 2 0.469 -2.293 -5.587 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.807 -1.855 -5.087 1.00 0.00 O ATOM 31 CG2 THR A 2 0.285 -3.627 -6.335 1.00 0.00 C ATOM 0 H THR A 2 1.225 -0.288 -4.345 1.00 0.00 H new ATOM 0 HA THR A 2 1.167 -3.129 -3.697 1.00 0.00 H new ATOM 0 HB THR A 2 0.878 -1.582 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.449 -1.807 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.441 -3.497 -7.138 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.239 -3.943 -6.756 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.074 -4.387 -5.641 1.00 0.00 H new ATOM 39 N GLU A 3 3.181 -4.084 -5.063 1.00 0.00 N ATOM 40 CA GLU A 3 4.515 -4.606 -5.454 1.00 0.00 C ATOM 41 C GLU A 3 5.045 -4.038 -6.795 1.00 0.00 C ATOM 42 O GLU A 3 6.254 -4.085 -7.048 1.00 0.00 O ATOM 43 CB GLU A 3 4.501 -6.156 -5.510 1.00 0.00 C ATOM 44 CG GLU A 3 4.292 -6.849 -4.151 1.00 0.00 C ATOM 45 CD GLU A 3 4.362 -8.385 -4.245 1.00 0.00 C ATOM 46 OE1 GLU A 3 5.484 -8.938 -4.260 1.00 0.00 O ATOM 47 OE2 GLU A 3 3.300 -9.044 -4.311 1.00 0.00 O ATOM 0 H GLU A 3 2.483 -4.815 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 3 5.202 -4.265 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.710 -6.474 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.444 -6.499 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.049 -6.498 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.323 -6.558 -3.746 1.00 0.00 H new ATOM 54 N GLU A 4 4.146 -3.519 -7.650 1.00 0.00 N ATOM 55 CA GLU A 4 4.526 -2.947 -8.954 1.00 0.00 C ATOM 56 C GLU A 4 5.220 -1.585 -8.764 1.00 0.00 C ATOM 57 O GLU A 4 6.359 -1.390 -9.219 1.00 0.00 O ATOM 58 CB GLU A 4 3.275 -2.829 -9.865 1.00 0.00 C ATOM 59 CG GLU A 4 2.463 -4.140 -10.001 1.00 0.00 C ATOM 60 CD GLU A 4 3.309 -5.346 -10.462 1.00 0.00 C ATOM 61 OE1 GLU A 4 3.654 -5.423 -11.660 1.00 0.00 O ATOM 62 OE2 GLU A 4 3.641 -6.225 -9.626 1.00 0.00 O ATOM 0 H GLU A 4 3.145 -3.484 -7.459 1.00 0.00 H new ATOM 0 HA GLU A 4 5.238 -3.611 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.623 -2.050 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.591 -2.506 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.004 -4.375 -9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.652 -3.983 -10.712 1.00 0.00 H new ATOM 69 N GLU A 5 4.540 -0.656 -8.065 1.00 0.00 N ATOM 70 CA GLU A 5 5.092 0.688 -7.761 1.00 0.00 C ATOM 71 C GLU A 5 6.263 0.583 -6.760 1.00 0.00 C ATOM 72 O GLU A 5 7.187 1.403 -6.777 1.00 0.00 O ATOM 73 CB GLU A 5 3.975 1.635 -7.231 1.00 0.00 C ATOM 74 CG GLU A 5 3.370 1.236 -5.870 1.00 0.00 C ATOM 75 CD GLU A 5 2.154 2.084 -5.455 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.340 3.271 -5.118 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.014 1.558 -5.456 1.00 0.00 O ATOM 0 H GLU A 5 3.601 -0.809 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 5 5.481 1.118 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.383 2.642 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.174 1.675 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.073 0.188 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.139 1.322 -5.102 1.00 0.00 H new ATOM 84 N MET A 6 6.186 -0.443 -5.892 1.00 0.00 N ATOM 85 CA MET A 6 7.241 -0.794 -4.920 1.00 0.00 C ATOM 86 C MET A 6 8.506 -1.274 -5.647 1.00 0.00 C ATOM 87 O MET A 6 9.623 -0.967 -5.233 1.00 0.00 O ATOM 88 CB MET A 6 6.732 -1.912 -3.971 1.00 0.00 C ATOM 89 CG MET A 6 7.746 -2.381 -2.914 1.00 0.00 C ATOM 90 SD MET A 6 8.193 -1.082 -1.751 1.00 0.00 S ATOM 91 CE MET A 6 6.592 -0.705 -1.055 1.00 0.00 C ATOM 0 H MET A 6 5.377 -1.062 -5.845 1.00 0.00 H new ATOM 0 HA MET A 6 7.485 0.095 -4.338 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.837 -1.555 -3.461 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.434 -2.771 -4.573 1.00 0.00 H new ATOM 0 HG2 MET A 6 7.328 -3.225 -2.366 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.646 -2.740 -3.414 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.692 -0.535 0.017 1.00 0.00 H new ATOM 0 HE2 MET A 6 6.191 0.191 -1.528 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.914 -1.541 -1.228 1.00 0.00 H new ATOM 101 N GLY A 7 8.297 -2.034 -6.735 1.00 0.00 N ATOM 102 CA GLY A 7 9.392 -2.549 -7.553 1.00 0.00 C ATOM 103 C GLY A 7 10.090 -1.453 -8.340 1.00 0.00 C ATOM 104 O GLY A 7 11.308 -1.484 -8.511 1.00 0.00 O ATOM 0 H GLY A 7 7.370 -2.303 -7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.117 -3.050 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.005 -3.299 -8.243 1.00 0.00 H new ATOM 108 N THR A 8 9.296 -0.477 -8.813 1.00 0.00 N ATOM 109 CA THR A 8 9.805 0.697 -9.537 1.00 0.00 C ATOM 110 C THR A 8 10.493 1.676 -8.553 1.00 0.00 C ATOM 111 O THR A 8 11.425 2.394 -8.936 1.00 0.00 O ATOM 112 CB THR A 8 8.646 1.403 -10.322 1.00 0.00 C ATOM 113 OG1 THR A 8 7.925 0.422 -11.088 1.00 0.00 O ATOM 114 CG2 THR A 8 9.151 2.504 -11.280 1.00 0.00 C ATOM 0 H THR A 8 8.282 -0.482 -8.703 1.00 0.00 H new ATOM 0 HA THR A 8 10.548 0.368 -10.263 1.00 0.00 H new ATOM 0 HB THR A 8 8.004 1.879 -9.581 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.410 -0.152 -10.483 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.303 2.956 -11.795 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.679 3.269 -10.710 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.829 2.066 -12.013 1.00 0.00 H new ATOM 122 N ALA A 9 10.033 1.674 -7.275 1.00 0.00 N ATOM 123 CA ALA A 9 10.621 2.504 -6.198 1.00 0.00 C ATOM 124 C ALA A 9 12.000 1.958 -5.842 1.00 0.00 C ATOM 125 O ALA A 9 12.974 2.692 -5.833 1.00 0.00 O ATOM 126 CB ALA A 9 9.701 2.543 -4.960 1.00 0.00 C ATOM 0 H ALA A 9 9.249 1.100 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 9 10.723 3.530 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.158 3.159 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.735 2.966 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.558 1.531 -4.581 1.00 0.00 H new ATOM 132 N LYS A 10 12.040 0.643 -5.607 1.00 0.00 N ATOM 133 CA LYS A 10 13.272 -0.137 -5.380 1.00 0.00 C ATOM 134 C LYS A 10 14.261 0.033 -6.550 1.00 0.00 C ATOM 135 O LYS A 10 15.465 0.174 -6.331 1.00 0.00 O ATOM 136 CB LYS A 10 12.902 -1.640 -5.212 1.00 0.00 C ATOM 137 CG LYS A 10 14.095 -2.617 -5.311 1.00 0.00 C ATOM 138 CD LYS A 10 13.668 -4.099 -5.268 1.00 0.00 C ATOM 139 CE LYS A 10 14.840 -5.050 -5.581 1.00 0.00 C ATOM 140 NZ LYS A 10 14.461 -6.484 -5.447 1.00 0.00 N ATOM 0 H LYS A 10 11.196 0.071 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 10 13.756 0.230 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.420 -1.775 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.169 -1.906 -5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.636 -2.428 -6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.787 -2.420 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.267 -4.332 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.865 -4.265 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.194 -4.864 -6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.670 -4.832 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.283 -7.082 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.148 -6.671 -4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 13.687 -6.702 -6.107 1.00 0.00 H new ATOM 154 N LYS A 11 13.723 0.005 -7.783 1.00 0.00 N ATOM 155 CA LYS A 11 14.520 0.124 -9.020 1.00 0.00 C ATOM 156 C LYS A 11 15.121 1.534 -9.132 1.00 0.00 C ATOM 157 O LYS A 11 16.239 1.700 -9.613 1.00 0.00 O ATOM 158 CB LYS A 11 13.650 -0.192 -10.269 1.00 0.00 C ATOM 159 CG LYS A 11 14.429 -0.260 -11.606 1.00 0.00 C ATOM 160 CD LYS A 11 15.417 -1.455 -11.671 1.00 0.00 C ATOM 161 CE LYS A 11 14.697 -2.808 -11.616 1.00 0.00 C ATOM 162 NZ LYS A 11 15.635 -3.957 -11.679 1.00 0.00 N ATOM 0 H LYS A 11 12.723 -0.101 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 11 15.332 -0.602 -8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.145 -1.145 -10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.874 0.569 -10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.720 -0.337 -12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.981 0.669 -11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.999 -1.393 -12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.122 -1.387 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.115 -2.869 -10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.991 -2.874 -12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.098 -4.846 -11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.173 -3.918 -12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.293 -3.913 -10.875 1.00 0.00 H new ATOM 176 N GLY A 12 14.359 2.538 -8.673 1.00 0.00 N ATOM 177 CA GLY A 12 14.847 3.909 -8.596 1.00 0.00 C ATOM 178 C GLY A 12 15.934 4.072 -7.548 1.00 0.00 C ATOM 179 O GLY A 12 16.968 4.682 -7.801 1.00 0.00 O ATOM 0 H GLY A 12 13.399 2.418 -8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.235 4.210 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.017 4.576 -8.363 1.00 0.00 H new ATOM 183 N LEU A 13 15.675 3.497 -6.369 1.00 0.00 N ATOM 184 CA LEU A 13 16.593 3.496 -5.222 1.00 0.00 C ATOM 185 C LEU A 13 17.873 2.690 -5.546 1.00 0.00 C ATOM 186 O LEU A 13 18.917 2.900 -4.934 1.00 0.00 O ATOM 187 CB LEU A 13 15.859 2.958 -3.962 1.00 0.00 C ATOM 188 CG LEU A 13 14.662 3.841 -3.446 1.00 0.00 C ATOM 189 CD1 LEU A 13 13.788 3.095 -2.417 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.158 5.181 -2.870 1.00 0.00 C ATOM 0 H LEU A 13 14.800 3.007 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 13 16.911 4.517 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.482 1.959 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.586 2.855 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 13 14.036 4.053 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.976 3.745 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.373 2.197 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.397 2.815 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.306 5.766 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.832 4.991 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.688 5.736 -3.644 1.00 0.00 H new ATOM 202 N LEU A 14 17.766 1.763 -6.515 1.00 0.00 N ATOM 203 CA LEU A 14 18.924 1.046 -7.070 1.00 0.00 C ATOM 204 C LEU A 14 19.709 1.981 -8.013 1.00 0.00 C ATOM 205 O LEU A 14 20.846 2.342 -7.716 1.00 0.00 O ATOM 206 CB LEU A 14 18.441 -0.231 -7.831 1.00 0.00 C ATOM 207 CG LEU A 14 19.535 -1.107 -8.534 1.00 0.00 C ATOM 208 CD1 LEU A 14 20.575 -1.656 -7.535 1.00 0.00 C ATOM 209 CD2 LEU A 14 18.886 -2.252 -9.347 1.00 0.00 C ATOM 0 H LEU A 14 16.876 1.492 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 14 19.584 0.735 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.906 -0.864 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.720 0.080 -8.588 1.00 0.00 H new ATOM 0 HG LEU A 14 20.072 -0.456 -9.225 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.311 -2.256 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.076 -0.825 -7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.073 -2.275 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.665 -2.846 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.304 -2.887 -8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.231 -1.831 -10.110 1.00 0.00 H new ATOM 221 N GLU A 15 19.045 2.457 -9.077 1.00 0.00 N ATOM 222 CA GLU A 15 19.706 3.159 -10.197 1.00 0.00 C ATOM 223 C GLU A 15 20.095 4.602 -9.811 1.00 0.00 C ATOM 224 O GLU A 15 21.285 4.951 -9.811 1.00 0.00 O ATOM 225 CB GLU A 15 18.797 3.128 -11.454 1.00 0.00 C ATOM 226 CG GLU A 15 18.431 1.704 -11.954 1.00 0.00 C ATOM 227 CD GLU A 15 19.640 0.876 -12.451 1.00 0.00 C ATOM 228 OE1 GLU A 15 20.360 0.277 -11.620 1.00 0.00 O ATOM 229 OE2 GLU A 15 19.857 0.802 -13.679 1.00 0.00 O ATOM 0 H GLU A 15 18.035 2.368 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 15 20.633 2.637 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.877 3.669 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.297 3.664 -12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.941 1.162 -11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.707 1.790 -12.764 1.00 0.00 H new ATOM 236 N HIS A 16 19.091 5.427 -9.458 1.00 0.00 N ATOM 237 CA HIS A 16 19.324 6.820 -8.994 1.00 0.00 C ATOM 238 C HIS A 16 20.033 6.817 -7.630 1.00 0.00 C ATOM 239 O HIS A 16 20.959 7.594 -7.382 1.00 0.00 O ATOM 240 CB HIS A 16 17.993 7.615 -8.859 1.00 0.00 C ATOM 241 CG HIS A 16 17.135 7.670 -10.102 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.363 8.544 -11.145 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.021 6.974 -10.444 1.00 0.00 C ATOM 244 CE1 HIS A 16 16.429 8.383 -12.069 1.00 0.00 C ATOM 245 NE2 HIS A 16 15.605 7.439 -11.664 1.00 0.00 N ATOM 0 H HIS A 16 18.107 5.158 -9.483 1.00 0.00 H new ATOM 0 HA HIS A 16 19.948 7.305 -9.744 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.407 7.172 -8.054 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.229 8.635 -8.557 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.549 6.197 -9.862 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.355 8.932 -12.996 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.788 7.107 -12.176 1.00 0.00 H new ATOM 254 N GLY A 17 19.590 5.901 -6.768 1.00 0.00 N ATOM 255 CA GLY A 17 19.983 5.872 -5.364 1.00 0.00 C ATOM 256 C GLY A 17 18.868 6.406 -4.475 1.00 0.00 C ATOM 257 O GLY A 17 17.738 6.594 -4.944 1.00 0.00 O ATOM 0 H GLY A 17 18.945 5.155 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.228 4.851 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.884 6.469 -5.222 1.00 0.00 H new ATOM 261 N ARG A 18 19.172 6.678 -3.196 1.00 0.00 N ATOM 262 CA ARG A 18 18.203 7.282 -2.246 1.00 0.00 C ATOM 263 C ARG A 18 18.155 8.819 -2.406 1.00 0.00 C ATOM 264 O ARG A 18 18.250 9.575 -1.432 1.00 0.00 O ATOM 265 CB ARG A 18 18.532 6.854 -0.783 1.00 0.00 C ATOM 266 CG ARG A 18 18.094 5.416 -0.428 1.00 0.00 C ATOM 267 CD ARG A 18 18.496 4.998 0.999 1.00 0.00 C ATOM 268 NE ARG A 18 19.951 4.805 1.127 1.00 0.00 N ATOM 269 CZ ARG A 18 20.549 3.999 2.020 1.00 0.00 C ATOM 270 NH1 ARG A 18 19.846 3.320 2.916 1.00 0.00 N ATOM 271 NH2 ARG A 18 21.859 3.860 1.996 1.00 0.00 N ATOM 0 H ARG A 18 20.087 6.490 -2.786 1.00 0.00 H new ATOM 0 HA ARG A 18 17.206 6.907 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.607 6.944 -0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.049 7.549 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.012 5.336 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.536 4.721 -1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.167 5.760 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.983 4.074 1.264 1.00 0.00 H new ATOM 0 HE ARG A 18 20.552 5.324 0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.830 3.404 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.322 2.714 3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.413 4.363 1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.320 3.250 2.671 1.00 0.00 H new ATOM 285 N ASN A 19 17.998 9.254 -3.665 1.00 0.00 N ATOM 286 CA ASN A 19 17.831 10.658 -4.040 1.00 0.00 C ATOM 287 C ASN A 19 16.331 10.968 -3.995 1.00 0.00 C ATOM 288 O ASN A 19 15.618 10.779 -4.982 1.00 0.00 O ATOM 289 CB ASN A 19 18.423 10.908 -5.460 1.00 0.00 C ATOM 290 CG ASN A 19 19.910 10.552 -5.581 1.00 0.00 C ATOM 291 OD1 ASN A 19 20.657 10.578 -4.597 1.00 0.00 O ATOM 292 ND2 ASN A 19 20.357 10.249 -6.791 1.00 0.00 N ATOM 0 H ASN A 19 17.984 8.622 -4.465 1.00 0.00 H new ATOM 0 HA ASN A 19 18.364 11.315 -3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.859 10.324 -6.187 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.288 11.958 -5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.343 10.029 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.715 10.236 -7.583 1.00 0.00 H new ATOM 299 N TRP A 20 15.876 11.424 -2.822 1.00 0.00 N ATOM 300 CA TRP A 20 14.449 11.462 -2.435 1.00 0.00 C ATOM 301 C TRP A 20 13.578 12.260 -3.421 1.00 0.00 C ATOM 302 O TRP A 20 12.432 11.888 -3.684 1.00 0.00 O ATOM 303 CB TRP A 20 14.323 12.048 -1.012 1.00 0.00 C ATOM 304 CG TRP A 20 15.245 11.384 -0.003 1.00 0.00 C ATOM 305 CD1 TRP A 20 16.321 11.951 0.630 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.195 10.020 0.449 1.00 0.00 C ATOM 307 NE1 TRP A 20 16.918 11.038 1.454 1.00 0.00 N ATOM 308 CE2 TRP A 20 16.251 9.846 1.357 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.353 8.940 0.182 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.491 8.634 1.996 1.00 0.00 C ATOM 311 CZ3 TRP A 20 14.595 7.733 0.811 1.00 0.00 C ATOM 312 CH2 TRP A 20 15.657 7.592 1.710 1.00 0.00 C ATOM 0 H TRP A 20 16.496 11.785 -2.097 1.00 0.00 H new ATOM 0 HA TRP A 20 14.077 10.438 -2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.542 13.115 -1.046 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.292 11.944 -0.674 1.00 0.00 H new ATOM 0 HD1 TRP A 20 16.649 12.971 0.497 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.730 11.216 2.046 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.526 9.045 -0.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.308 8.521 2.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.955 6.887 0.605 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.821 6.638 2.188 1.00 0.00 H new ATOM 323 N SER A 21 14.131 13.374 -3.933 1.00 0.00 N ATOM 324 CA SER A 21 13.477 14.198 -4.964 1.00 0.00 C ATOM 325 C SER A 21 13.273 13.387 -6.254 1.00 0.00 C ATOM 326 O SER A 21 12.154 13.312 -6.769 1.00 0.00 O ATOM 327 CB SER A 21 14.314 15.471 -5.232 1.00 0.00 C ATOM 328 OG SER A 21 13.717 16.304 -6.210 1.00 0.00 O ATOM 0 H SER A 21 15.043 13.728 -3.644 1.00 0.00 H new ATOM 0 HA SER A 21 12.494 14.502 -4.604 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.432 16.029 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.313 15.185 -5.561 1.00 0.00 H new ATOM 0 HG SER A 21 14.275 17.097 -6.349 1.00 0.00 H new ATOM 334 N ALA A 22 14.352 12.742 -6.722 1.00 0.00 N ATOM 335 CA ALA A 22 14.356 11.971 -7.983 1.00 0.00 C ATOM 336 C ALA A 22 13.357 10.796 -7.941 1.00 0.00 C ATOM 337 O ALA A 22 12.648 10.540 -8.915 1.00 0.00 O ATOM 338 CB ALA A 22 15.768 11.450 -8.283 1.00 0.00 C ATOM 0 H ALA A 22 15.250 12.738 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 22 14.042 12.645 -8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.757 10.884 -9.214 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.454 12.292 -8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.098 10.804 -7.470 1.00 0.00 H new ATOM 344 N ILE A 23 13.298 10.106 -6.787 1.00 0.00 N ATOM 345 CA ILE A 23 12.464 8.893 -6.612 1.00 0.00 C ATOM 346 C ILE A 23 10.985 9.275 -6.477 1.00 0.00 C ATOM 347 O ILE A 23 10.112 8.611 -7.034 1.00 0.00 O ATOM 348 CB ILE A 23 12.917 8.044 -5.363 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.462 7.822 -5.376 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.165 6.684 -5.295 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.008 7.230 -6.658 1.00 0.00 C ATOM 0 H ILE A 23 13.822 10.368 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 23 12.598 8.276 -7.501 1.00 0.00 H new ATOM 0 HB ILE A 23 12.658 8.609 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 23 14.954 8.778 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.728 7.166 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.502 6.125 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.093 6.865 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.372 6.108 -6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.088 7.112 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.550 6.257 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.780 7.894 -7.492 1.00 0.00 H new ATOM 363 N ALA A 24 10.721 10.367 -5.754 1.00 0.00 N ATOM 364 CA ALA A 24 9.356 10.883 -5.568 1.00 0.00 C ATOM 365 C ALA A 24 8.803 11.490 -6.877 1.00 0.00 C ATOM 366 O ALA A 24 7.594 11.597 -7.045 1.00 0.00 O ATOM 367 CB ALA A 24 9.326 11.902 -4.430 1.00 0.00 C ATOM 0 H ALA A 24 11.439 10.917 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 24 8.708 10.049 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.310 12.276 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.655 11.426 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.991 12.732 -4.667 1.00 0.00 H new ATOM 373 N ARG A 25 9.707 11.916 -7.780 1.00 0.00 N ATOM 374 CA ARG A 25 9.349 12.339 -9.152 1.00 0.00 C ATOM 375 C ARG A 25 9.214 11.114 -10.086 1.00 0.00 C ATOM 376 O ARG A 25 8.456 11.155 -11.061 1.00 0.00 O ATOM 377 CB ARG A 25 10.402 13.335 -9.716 1.00 0.00 C ATOM 378 CG ARG A 25 10.436 14.705 -8.996 1.00 0.00 C ATOM 379 CD ARG A 25 11.533 15.635 -9.551 1.00 0.00 C ATOM 380 NE ARG A 25 11.606 16.915 -8.820 1.00 0.00 N ATOM 381 CZ ARG A 25 12.552 17.854 -8.993 1.00 0.00 C ATOM 382 NH1 ARG A 25 13.505 17.713 -9.907 1.00 0.00 N ATOM 383 NH2 ARG A 25 12.533 18.948 -8.251 1.00 0.00 N ATOM 0 H ARG A 25 10.706 11.977 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 25 8.385 12.846 -9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.389 12.878 -9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.199 13.499 -10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.466 15.191 -9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.602 14.548 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.497 15.130 -9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.340 15.832 -10.605 1.00 0.00 H new ATOM 0 HE ARG A 25 10.880 17.102 -8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.529 16.880 -10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.213 18.438 -10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.803 19.077 -7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.249 19.663 -8.379 1.00 0.00 H new ATOM 397 N MET A 26 9.962 10.031 -9.786 1.00 0.00 N ATOM 398 CA MET A 26 9.989 8.811 -10.626 1.00 0.00 C ATOM 399 C MET A 26 8.693 7.994 -10.453 1.00 0.00 C ATOM 400 O MET A 26 7.959 7.783 -11.419 1.00 0.00 O ATOM 401 CB MET A 26 11.237 7.941 -10.274 1.00 0.00 C ATOM 402 CG MET A 26 11.350 6.605 -11.034 1.00 0.00 C ATOM 403 SD MET A 26 12.855 5.697 -10.613 1.00 0.00 S ATOM 404 CE MET A 26 12.625 4.161 -11.516 1.00 0.00 C ATOM 0 H MET A 26 10.560 9.976 -8.962 1.00 0.00 H new ATOM 0 HA MET A 26 10.058 9.115 -11.670 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.134 8.528 -10.470 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.222 7.731 -9.205 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.481 5.987 -10.808 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.334 6.798 -12.107 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.915 3.321 -10.885 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.577 4.058 -11.798 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.243 4.170 -12.413 1.00 0.00 H new ATOM 414 N VAL A 27 8.428 7.530 -9.217 1.00 0.00 N ATOM 415 CA VAL A 27 7.236 6.712 -8.906 1.00 0.00 C ATOM 416 C VAL A 27 6.026 7.581 -8.524 1.00 0.00 C ATOM 417 O VAL A 27 4.910 7.370 -9.021 1.00 0.00 O ATOM 418 CB VAL A 27 7.542 5.628 -7.799 1.00 0.00 C ATOM 419 CG1 VAL A 27 8.669 4.701 -8.291 1.00 0.00 C ATOM 420 CG2 VAL A 27 7.909 6.241 -6.417 1.00 0.00 C ATOM 0 H VAL A 27 9.027 7.708 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 27 6.973 6.178 -9.819 1.00 0.00 H new ATOM 0 HB VAL A 27 6.624 5.061 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.882 3.952 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.357 4.205 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.566 5.289 -8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.107 5.440 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.798 6.863 -6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.080 6.850 -6.057 1.00 0.00 H new ATOM 430 N GLY A 28 6.264 8.570 -7.646 1.00 0.00 N ATOM 431 CA GLY A 28 5.199 9.410 -7.106 1.00 0.00 C ATOM 432 C GLY A 28 4.749 10.486 -8.083 1.00 0.00 C ATOM 433 O GLY A 28 3.629 11.000 -7.966 1.00 0.00 O ATOM 0 H GLY A 28 7.194 8.803 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.346 8.784 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.545 9.882 -6.186 1.00 0.00 H new ATOM 437 N SER A 29 5.667 10.865 -9.012 1.00 0.00 N ATOM 438 CA SER A 29 5.431 11.876 -10.073 1.00 0.00 C ATOM 439 C SER A 29 5.195 13.300 -9.483 1.00 0.00 C ATOM 440 O SER A 29 4.787 14.214 -10.208 1.00 0.00 O ATOM 441 CB SER A 29 4.261 11.411 -11.002 1.00 0.00 C ATOM 442 OG SER A 29 4.070 12.285 -12.106 1.00 0.00 O ATOM 0 H SER A 29 6.606 10.469 -9.043 1.00 0.00 H new ATOM 0 HA SER A 29 6.332 11.955 -10.681 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.469 10.406 -11.369 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.340 11.355 -10.422 1.00 0.00 H new ATOM 0 HG SER A 29 4.308 13.199 -11.845 1.00 0.00 H new ATOM 448 N LYS A 30 5.505 13.489 -8.178 1.00 0.00 N ATOM 449 CA LYS A 30 5.156 14.710 -7.415 1.00 0.00 C ATOM 450 C LYS A 30 6.330 15.118 -6.463 1.00 0.00 C ATOM 451 O LYS A 30 7.503 14.869 -6.775 1.00 0.00 O ATOM 452 CB LYS A 30 3.831 14.459 -6.620 1.00 0.00 C ATOM 453 CG LYS A 30 2.574 14.125 -7.458 1.00 0.00 C ATOM 454 CD LYS A 30 1.338 13.791 -6.584 1.00 0.00 C ATOM 455 CE LYS A 30 0.906 14.967 -5.690 1.00 0.00 C ATOM 456 NZ LYS A 30 0.553 16.176 -6.485 1.00 0.00 N ATOM 0 H LYS A 30 6.006 12.795 -7.623 1.00 0.00 H new ATOM 0 HA LYS A 30 4.997 15.540 -8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.003 13.640 -5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.618 15.347 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.338 14.971 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.792 13.278 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.507 13.507 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.564 12.928 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.049 14.667 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.712 15.211 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.156 16.902 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.407 16.548 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.151 15.923 -7.208 1.00 0.00 H new ATOM 470 N THR A 31 5.989 15.707 -5.295 1.00 0.00 N ATOM 471 CA THR A 31 6.932 16.346 -4.358 1.00 0.00 C ATOM 472 C THR A 31 7.888 15.335 -3.679 1.00 0.00 C ATOM 473 O THR A 31 7.497 14.189 -3.426 1.00 0.00 O ATOM 474 CB THR A 31 6.094 17.121 -3.275 1.00 0.00 C ATOM 475 OG1 THR A 31 5.211 18.042 -3.929 1.00 0.00 O ATOM 476 CG2 THR A 31 6.954 17.898 -2.260 1.00 0.00 C ATOM 0 H THR A 31 5.023 15.751 -4.972 1.00 0.00 H new ATOM 0 HA THR A 31 7.569 17.028 -4.922 1.00 0.00 H new ATOM 0 HB THR A 31 5.545 16.365 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.686 18.525 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.305 18.406 -1.546 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.605 17.204 -1.728 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.561 18.635 -2.786 1.00 0.00 H new ATOM 484 N VAL A 32 9.120 15.815 -3.365 1.00 0.00 N ATOM 485 CA VAL A 32 10.203 15.053 -2.666 1.00 0.00 C ATOM 486 C VAL A 32 9.702 14.313 -1.397 1.00 0.00 C ATOM 487 O VAL A 32 10.193 13.215 -1.072 1.00 0.00 O ATOM 488 CB VAL A 32 11.404 16.024 -2.296 1.00 0.00 C ATOM 489 CG1 VAL A 32 10.923 17.238 -1.467 1.00 0.00 C ATOM 490 CG2 VAL A 32 12.558 15.288 -1.560 1.00 0.00 C ATOM 0 H VAL A 32 9.401 16.768 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 32 10.548 14.287 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 32 11.800 16.390 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.773 17.879 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.189 17.803 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.467 16.888 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 32 13.353 15.997 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.180 14.853 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.951 14.497 -2.199 1.00 0.00 H new ATOM 500 N SER A 33 8.702 14.922 -0.726 1.00 0.00 N ATOM 501 CA SER A 33 8.114 14.432 0.536 1.00 0.00 C ATOM 502 C SER A 33 7.657 12.963 0.471 1.00 0.00 C ATOM 503 O SER A 33 7.777 12.247 1.453 1.00 0.00 O ATOM 504 CB SER A 33 6.930 15.339 0.933 1.00 0.00 C ATOM 505 OG SER A 33 7.368 16.676 1.130 1.00 0.00 O ATOM 0 H SER A 33 8.272 15.787 -1.055 1.00 0.00 H new ATOM 0 HA SER A 33 8.899 14.473 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.167 15.312 0.155 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.468 14.964 1.846 1.00 0.00 H new ATOM 0 HG SER A 33 6.604 17.237 1.379 1.00 0.00 H new ATOM 511 N GLN A 34 7.176 12.524 -0.702 1.00 0.00 N ATOM 512 CA GLN A 34 6.588 11.176 -0.878 1.00 0.00 C ATOM 513 C GLN A 34 7.584 10.060 -0.508 1.00 0.00 C ATOM 514 O GLN A 34 7.246 9.168 0.265 1.00 0.00 O ATOM 515 CB GLN A 34 6.116 10.980 -2.333 1.00 0.00 C ATOM 516 CG GLN A 34 5.083 12.001 -2.813 1.00 0.00 C ATOM 517 CD GLN A 34 4.723 11.792 -4.273 1.00 0.00 C ATOM 518 OE1 GLN A 34 5.594 12.253 -5.153 1.00 0.00 O flip ATOM 519 NE2 GLN A 34 3.717 11.162 -4.609 1.00 0.00 N flip ATOM 0 H GLN A 34 7.181 13.085 -1.554 1.00 0.00 H new ATOM 0 HA GLN A 34 5.736 11.108 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.984 11.024 -2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.692 9.981 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.184 11.924 -2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.476 13.008 -2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.068 10.822 -3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.535 10.981 -5.596 1.00 0.00 H new ATOM 528 N CYS A 35 8.810 10.145 -1.053 1.00 0.00 N ATOM 529 CA CYS A 35 9.846 9.104 -0.862 1.00 0.00 C ATOM 530 C CYS A 35 10.491 9.217 0.538 1.00 0.00 C ATOM 531 O CYS A 35 10.905 8.207 1.120 1.00 0.00 O ATOM 532 CB CYS A 35 10.921 9.200 -1.966 1.00 0.00 C ATOM 533 SG CYS A 35 12.093 7.825 -1.964 1.00 0.00 S ATOM 0 H CYS A 35 9.113 10.927 -1.633 1.00 0.00 H new ATOM 0 HA CYS A 35 9.364 8.129 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.428 9.244 -2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.470 10.134 -1.845 1.00 0.00 H new ATOM 0 HG CYS A 35 12.905 7.948 -0.956 1.00 0.00 H new ATOM 539 N LYS A 36 10.571 10.456 1.062 1.00 0.00 N ATOM 540 CA LYS A 36 11.080 10.730 2.425 1.00 0.00 C ATOM 541 C LYS A 36 10.168 10.103 3.500 1.00 0.00 C ATOM 542 O LYS A 36 10.641 9.414 4.407 1.00 0.00 O ATOM 543 CB LYS A 36 11.237 12.274 2.652 1.00 0.00 C ATOM 544 CG LYS A 36 12.587 12.895 2.172 1.00 0.00 C ATOM 545 CD LYS A 36 13.695 12.948 3.276 1.00 0.00 C ATOM 546 CE LYS A 36 14.069 11.575 3.872 1.00 0.00 C ATOM 547 NZ LYS A 36 15.083 11.677 4.947 1.00 0.00 N ATOM 0 H LYS A 36 10.286 11.294 0.556 1.00 0.00 H new ATOM 0 HA LYS A 36 12.063 10.267 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.421 12.783 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.122 12.480 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.960 12.317 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.401 13.906 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.591 13.403 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.357 13.600 4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.172 11.099 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.449 10.930 3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.987 10.867 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.035 11.675 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.940 12.561 5.477 1.00 0.00 H new ATOM 561 N ASN A 37 8.861 10.337 3.361 1.00 0.00 N ATOM 562 CA ASN A 37 7.851 9.862 4.322 1.00 0.00 C ATOM 563 C ASN A 37 7.687 8.341 4.196 1.00 0.00 C ATOM 564 O ASN A 37 7.626 7.640 5.197 1.00 0.00 O ATOM 565 CB ASN A 37 6.493 10.587 4.101 1.00 0.00 C ATOM 566 CG ASN A 37 6.556 12.119 4.253 1.00 0.00 C ATOM 567 OD1 ASN A 37 5.788 12.843 3.615 1.00 0.00 O ATOM 568 ND2 ASN A 37 7.450 12.628 5.098 1.00 0.00 N ATOM 0 H ASN A 37 8.468 10.861 2.579 1.00 0.00 H new ATOM 0 HA ASN A 37 8.190 10.095 5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.126 10.348 3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.765 10.193 4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.511 13.638 5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.074 12.008 5.614 1.00 0.00 H new ATOM 575 N PHE A 38 7.668 7.853 2.937 1.00 0.00 N ATOM 576 CA PHE A 38 7.591 6.405 2.598 1.00 0.00 C ATOM 577 C PHE A 38 8.625 5.581 3.387 1.00 0.00 C ATOM 578 O PHE A 38 8.296 4.547 3.972 1.00 0.00 O ATOM 579 CB PHE A 38 7.827 6.223 1.067 1.00 0.00 C ATOM 580 CG PHE A 38 8.139 4.799 0.590 1.00 0.00 C ATOM 581 CD1 PHE A 38 7.232 3.760 0.778 1.00 0.00 C ATOM 582 CD2 PHE A 38 9.351 4.503 -0.051 1.00 0.00 C ATOM 583 CE1 PHE A 38 7.521 2.481 0.347 1.00 0.00 C ATOM 584 CE2 PHE A 38 9.636 3.220 -0.483 1.00 0.00 C ATOM 585 CZ PHE A 38 8.720 2.210 -0.282 1.00 0.00 C ATOM 0 H PHE A 38 7.706 8.455 2.115 1.00 0.00 H new ATOM 0 HA PHE A 38 6.600 6.042 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.939 6.573 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.651 6.871 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.290 3.957 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.074 5.290 -0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.805 1.687 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.574 3.010 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 38 8.940 1.207 -0.616 1.00 0.00 H new ATOM 595 N TYR A 39 9.859 6.079 3.404 1.00 0.00 N ATOM 596 CA TYR A 39 11.015 5.336 3.914 1.00 0.00 C ATOM 597 C TYR A 39 10.905 5.077 5.432 1.00 0.00 C ATOM 598 O TYR A 39 11.219 3.981 5.913 1.00 0.00 O ATOM 599 CB TYR A 39 12.309 6.114 3.581 1.00 0.00 C ATOM 600 CG TYR A 39 13.576 5.261 3.656 1.00 0.00 C ATOM 601 CD1 TYR A 39 13.892 4.392 2.616 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.455 5.323 4.741 1.00 0.00 C ATOM 603 CE1 TYR A 39 15.029 3.618 2.656 1.00 0.00 C ATOM 604 CE2 TYR A 39 15.597 4.544 4.785 1.00 0.00 C ATOM 605 CZ TYR A 39 15.885 3.696 3.734 1.00 0.00 C ATOM 606 OH TYR A 39 17.038 2.933 3.757 1.00 0.00 O ATOM 0 H TYR A 39 10.089 7.013 3.064 1.00 0.00 H new ATOM 0 HA TYR A 39 11.042 4.361 3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.223 6.533 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.405 6.953 4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.233 4.324 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.238 5.992 5.561 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.252 2.947 1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.259 4.599 5.636 1.00 0.00 H new ATOM 0 HH TYR A 39 17.529 3.108 4.587 1.00 0.00 H new ATOM 616 N PHE A 40 10.432 6.097 6.166 1.00 0.00 N ATOM 617 CA PHE A 40 10.405 6.094 7.644 1.00 0.00 C ATOM 618 C PHE A 40 8.979 5.837 8.210 1.00 0.00 C ATOM 619 O PHE A 40 8.817 5.710 9.428 1.00 0.00 O ATOM 620 CB PHE A 40 10.990 7.436 8.169 1.00 0.00 C ATOM 621 CG PHE A 40 12.454 7.685 7.790 1.00 0.00 C ATOM 622 CD1 PHE A 40 12.794 8.328 6.597 1.00 0.00 C ATOM 623 CD2 PHE A 40 13.493 7.266 8.621 1.00 0.00 C ATOM 624 CE1 PHE A 40 14.116 8.557 6.260 1.00 0.00 C ATOM 625 CE2 PHE A 40 14.815 7.494 8.281 1.00 0.00 C ATOM 626 CZ PHE A 40 15.127 8.132 7.097 1.00 0.00 C ATOM 0 H PHE A 40 10.056 6.951 5.754 1.00 0.00 H new ATOM 0 HA PHE A 40 11.022 5.267 7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.384 8.257 7.784 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.901 7.456 9.255 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.012 8.652 5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.262 6.756 9.544 1.00 0.00 H new ATOM 0 HE1 PHE A 40 14.357 9.069 5.340 1.00 0.00 H new ATOM 0 HE2 PHE A 40 15.605 7.172 8.944 1.00 0.00 H new ATOM 0 HZ PHE A 40 16.159 8.298 6.827 1.00 0.00 H new ATOM 770 N LEU A 48 16.733 -2.676 1.538 1.00 0.00 N ATOM 771 CA LEU A 48 17.010 -1.512 0.681 1.00 0.00 C ATOM 772 C LEU A 48 18.438 -0.965 0.930 1.00 0.00 C ATOM 773 O LEU A 48 19.087 -0.453 0.009 1.00 0.00 O ATOM 774 CB LEU A 48 15.896 -0.440 0.919 1.00 0.00 C ATOM 775 CG LEU A 48 15.734 0.697 -0.150 1.00 0.00 C ATOM 776 CD1 LEU A 48 16.743 1.842 0.042 1.00 0.00 C ATOM 777 CD2 LEU A 48 15.815 0.122 -1.580 1.00 0.00 C ATOM 0 HA LEU A 48 16.985 -1.802 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.942 -0.961 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.086 0.032 1.883 1.00 0.00 H new ATOM 0 HG LEU A 48 14.743 1.128 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.584 2.600 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.604 2.288 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.757 1.451 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.700 0.929 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.782 -0.360 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.020 -0.610 -1.723 1.00 0.00 H new ATOM 789 N ASP A 49 18.921 -1.120 2.172 1.00 0.00 N ATOM 790 CA ASP A 49 20.282 -0.695 2.578 1.00 0.00 C ATOM 791 C ASP A 49 21.366 -1.460 1.782 1.00 0.00 C ATOM 792 O ASP A 49 22.373 -0.878 1.353 1.00 0.00 O ATOM 793 CB ASP A 49 20.456 -0.919 4.106 1.00 0.00 C ATOM 794 CG ASP A 49 21.831 -0.478 4.649 1.00 0.00 C ATOM 795 OD1 ASP A 49 22.047 0.744 4.806 1.00 0.00 O ATOM 796 OD2 ASP A 49 22.696 -1.346 4.924 1.00 0.00 O ATOM 0 H ASP A 49 18.384 -1.543 2.929 1.00 0.00 H new ATOM 0 HA ASP A 49 20.403 0.365 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.675 -0.373 4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 49 20.311 -1.976 4.327 1.00 0.00 H new ATOM 801 N GLU A 50 21.114 -2.762 1.566 1.00 0.00 N ATOM 802 CA GLU A 50 22.016 -3.654 0.815 1.00 0.00 C ATOM 803 C GLU A 50 21.975 -3.328 -0.689 1.00 0.00 C ATOM 804 O GLU A 50 23.000 -3.374 -1.358 1.00 0.00 O ATOM 805 CB GLU A 50 21.641 -5.139 1.080 1.00 0.00 C ATOM 806 CG GLU A 50 22.570 -6.178 0.424 1.00 0.00 C ATOM 807 CD GLU A 50 22.210 -7.630 0.791 1.00 0.00 C ATOM 808 OE1 GLU A 50 21.344 -8.230 0.119 1.00 0.00 O ATOM 809 OE2 GLU A 50 22.790 -8.179 1.753 1.00 0.00 O ATOM 0 H GLU A 50 20.274 -3.229 1.909 1.00 0.00 H new ATOM 0 HA GLU A 50 23.037 -3.493 1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.635 -5.309 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.624 -5.309 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 50 22.527 -6.062 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 50 23.598 -5.978 0.725 1.00 0.00 H new ATOM 816 N ILE A 51 20.779 -2.975 -1.191 1.00 0.00 N ATOM 817 CA ILE A 51 20.548 -2.606 -2.613 1.00 0.00 C ATOM 818 C ILE A 51 21.437 -1.408 -3.036 1.00 0.00 C ATOM 819 O ILE A 51 22.038 -1.412 -4.122 1.00 0.00 O ATOM 820 CB ILE A 51 19.017 -2.283 -2.843 1.00 0.00 C ATOM 821 CG1 ILE A 51 18.154 -3.550 -2.532 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.724 -1.743 -4.266 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.645 -3.357 -2.619 1.00 0.00 C ATOM 0 H ILE A 51 19.933 -2.935 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 51 20.827 -3.454 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 51 18.744 -1.484 -2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.441 -4.342 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.400 -3.898 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.658 -1.539 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.286 -0.823 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.022 -2.486 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.144 -4.296 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.334 -2.593 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.376 -3.044 -3.628 1.00 0.00 H new ATOM 835 N LEU A 52 21.531 -0.411 -2.144 1.00 0.00 N ATOM 836 CA LEU A 52 22.375 0.789 -2.348 1.00 0.00 C ATOM 837 C LEU A 52 23.870 0.425 -2.339 1.00 0.00 C ATOM 838 O LEU A 52 24.631 0.858 -3.218 1.00 0.00 O ATOM 839 CB LEU A 52 22.056 1.863 -1.258 1.00 0.00 C ATOM 840 CG LEU A 52 20.912 2.865 -1.589 1.00 0.00 C ATOM 841 CD1 LEU A 52 21.341 3.842 -2.692 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.614 2.136 -1.971 1.00 0.00 C ATOM 0 H LEU A 52 21.026 -0.408 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 52 22.145 1.208 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 52 21.800 1.346 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.964 2.433 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 52 20.709 3.441 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.524 4.532 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.214 4.405 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 52 21.590 3.285 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 52 18.838 2.868 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.791 1.514 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.291 1.508 -1.140 1.00 0.00 H new ATOM 854 N GLN A 53 24.260 -0.385 -1.340 1.00 0.00 N ATOM 855 CA GLN A 53 25.655 -0.830 -1.138 1.00 0.00 C ATOM 856 C GLN A 53 26.171 -1.605 -2.367 1.00 0.00 C ATOM 857 O GLN A 53 27.275 -1.339 -2.856 1.00 0.00 O ATOM 858 CB GLN A 53 25.749 -1.702 0.146 1.00 0.00 C ATOM 859 CG GLN A 53 27.153 -2.272 0.453 1.00 0.00 C ATOM 860 CD GLN A 53 28.240 -1.205 0.642 1.00 0.00 C ATOM 861 OE1 GLN A 53 29.480 -1.555 0.336 1.00 0.00 O flip ATOM 862 NE2 GLN A 53 27.967 -0.085 1.075 1.00 0.00 N flip ATOM 0 H GLN A 53 23.613 -0.754 -0.643 1.00 0.00 H new ATOM 0 HA GLN A 53 26.288 0.049 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.423 -1.104 0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 53 25.049 -2.533 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.096 -2.880 1.356 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.449 -2.935 -0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.001 0.153 1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.707 0.605 1.207 1.00 0.00 H new ATOM 871 N GLN A 54 25.332 -2.530 -2.862 1.00 0.00 N ATOM 872 CA GLN A 54 25.639 -3.364 -4.034 1.00 0.00 C ATOM 873 C GLN A 54 25.861 -2.487 -5.276 1.00 0.00 C ATOM 874 O GLN A 54 26.901 -2.590 -5.919 1.00 0.00 O ATOM 875 CB GLN A 54 24.507 -4.401 -4.291 1.00 0.00 C ATOM 876 CG GLN A 54 24.391 -5.531 -3.238 1.00 0.00 C ATOM 877 CD GLN A 54 25.524 -6.579 -3.270 1.00 0.00 C ATOM 878 OE1 GLN A 54 26.675 -6.292 -3.619 1.00 0.00 O ATOM 879 NE2 GLN A 54 25.197 -7.815 -2.903 1.00 0.00 N ATOM 0 H GLN A 54 24.416 -2.721 -2.457 1.00 0.00 H new ATOM 0 HA GLN A 54 26.559 -3.912 -3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.556 -3.871 -4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.667 -4.854 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.363 -5.080 -2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.440 -6.043 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.240 -8.026 -2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.903 -8.551 -2.905 1.00 0.00 H new ATOM 888 N HIS A 55 24.890 -1.590 -5.562 1.00 0.00 N ATOM 889 CA HIS A 55 24.929 -0.696 -6.746 1.00 0.00 C ATOM 890 C HIS A 55 26.219 0.143 -6.772 1.00 0.00 C ATOM 891 O HIS A 55 26.838 0.326 -7.825 1.00 0.00 O ATOM 892 CB HIS A 55 23.692 0.238 -6.753 1.00 0.00 C ATOM 893 CG HIS A 55 23.591 1.125 -7.974 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.030 0.700 -9.160 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.959 2.419 -8.185 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.058 1.679 -10.041 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.615 2.736 -9.478 1.00 0.00 N ATOM 0 H HIS A 55 24.060 -1.464 -4.982 1.00 0.00 H new ATOM 0 HA HIS A 55 24.913 -1.322 -7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.791 -0.371 -6.685 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.720 0.866 -5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 55 24.433 3.075 -7.470 1.00 0.00 H new ATOM 0 HE1 HIS A 55 22.688 1.626 -11.054 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.765 3.639 -9.928 1.00 0.00 H new ATOM 906 N LYS A 56 26.598 0.628 -5.583 1.00 0.00 N ATOM 907 CA LYS A 56 27.792 1.458 -5.380 1.00 0.00 C ATOM 908 C LYS A 56 29.075 0.704 -5.794 1.00 0.00 C ATOM 909 O LYS A 56 29.791 1.146 -6.695 1.00 0.00 O ATOM 910 CB LYS A 56 27.869 1.885 -3.889 1.00 0.00 C ATOM 911 CG LYS A 56 29.129 2.691 -3.496 1.00 0.00 C ATOM 912 CD LYS A 56 29.197 2.976 -1.979 1.00 0.00 C ATOM 913 CE LYS A 56 30.472 3.731 -1.563 1.00 0.00 C ATOM 914 NZ LYS A 56 30.502 3.996 -0.099 1.00 0.00 N ATOM 0 H LYS A 56 26.077 0.453 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 56 27.716 2.344 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.988 2.482 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.823 0.990 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 56 30.019 2.140 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.138 3.635 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.324 3.560 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.147 2.032 -1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.349 3.148 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 56 30.529 4.675 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 31.375 4.506 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 29.679 4.574 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 30.473 3.094 0.418 1.00 0.00 H new ATOM 928 N LEU A 57 29.317 -0.459 -5.156 1.00 0.00 N ATOM 929 CA LEU A 57 30.587 -1.205 -5.296 1.00 0.00 C ATOM 930 C LEU A 57 30.698 -1.920 -6.662 1.00 0.00 C ATOM 931 O LEU A 57 31.808 -2.125 -7.167 1.00 0.00 O ATOM 932 CB LEU A 57 30.781 -2.174 -4.083 1.00 0.00 C ATOM 933 CG LEU A 57 29.683 -3.278 -3.822 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.833 -4.506 -4.739 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.663 -3.713 -2.338 1.00 0.00 C ATOM 0 H LEU A 57 28.644 -0.906 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 57 31.408 -0.489 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.737 -2.681 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.862 -1.566 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 57 28.728 -2.813 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 57 29.049 -5.228 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.748 -4.195 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.808 -4.965 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.896 -4.474 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 57 30.636 -4.122 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.443 -2.851 -1.709 1.00 0.00 H new ATOM 947 N LYS A 58 29.542 -2.296 -7.255 1.00 0.00 N ATOM 948 CA LYS A 58 29.496 -2.920 -8.596 1.00 0.00 C ATOM 949 C LYS A 58 29.919 -1.899 -9.653 1.00 0.00 C ATOM 950 O LYS A 58 30.785 -2.182 -10.487 1.00 0.00 O ATOM 951 CB LYS A 58 28.080 -3.476 -8.924 1.00 0.00 C ATOM 952 CG LYS A 58 27.644 -4.693 -8.070 1.00 0.00 C ATOM 953 CD LYS A 58 26.177 -5.120 -8.355 1.00 0.00 C ATOM 954 CE LYS A 58 25.676 -6.245 -7.422 1.00 0.00 C ATOM 955 NZ LYS A 58 26.428 -7.515 -7.588 1.00 0.00 N ATOM 0 H LYS A 58 28.626 -2.177 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 58 30.188 -3.762 -8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 58 27.351 -2.676 -8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 58 28.052 -3.760 -9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 58 28.310 -5.532 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.750 -4.449 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.526 -4.252 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 58 26.097 -5.453 -9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.757 -5.914 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.619 -6.427 -7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 26.048 -8.231 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 26.331 -7.851 -8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 27.433 -7.354 -7.376 1.00 0.00 H new ATOM 969 N MET A 59 29.321 -0.699 -9.571 1.00 0.00 N ATOM 970 CA MET A 59 29.639 0.415 -10.477 1.00 0.00 C ATOM 971 C MET A 59 31.067 0.941 -10.231 1.00 0.00 C ATOM 972 O MET A 59 31.719 1.406 -11.161 1.00 0.00 O ATOM 973 CB MET A 59 28.598 1.559 -10.328 1.00 0.00 C ATOM 974 CG MET A 59 28.810 2.752 -11.280 1.00 0.00 C ATOM 975 SD MET A 59 27.476 3.968 -11.191 1.00 0.00 S ATOM 976 CE MET A 59 26.073 2.990 -11.733 1.00 0.00 C ATOM 0 H MET A 59 28.607 -0.475 -8.878 1.00 0.00 H new ATOM 0 HA MET A 59 29.592 0.040 -11.499 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.602 1.150 -10.497 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.623 1.923 -9.301 1.00 0.00 H new ATOM 0 HG2 MET A 59 29.755 3.239 -11.040 1.00 0.00 H new ATOM 0 HG3 MET A 59 28.892 2.384 -12.303 1.00 0.00 H new ATOM 0 HE1 MET A 59 25.222 3.646 -11.917 1.00 0.00 H new ATOM 0 HE2 MET A 59 26.330 2.463 -12.652 1.00 0.00 H new ATOM 0 HE3 MET A 59 25.813 2.267 -10.960 1.00 0.00 H new ATOM 986 N GLU A 60 31.548 0.829 -8.983 1.00 0.00 N ATOM 987 CA GLU A 60 32.876 1.333 -8.588 1.00 0.00 C ATOM 988 C GLU A 60 34.004 0.457 -9.178 1.00 0.00 C ATOM 989 O GLU A 60 34.986 0.982 -9.718 1.00 0.00 O ATOM 990 CB GLU A 60 32.989 1.381 -7.041 1.00 0.00 C ATOM 991 CG GLU A 60 34.175 2.200 -6.498 1.00 0.00 C ATOM 992 CD GLU A 60 34.038 3.712 -6.773 1.00 0.00 C ATOM 993 OE1 GLU A 60 33.364 4.410 -5.984 1.00 0.00 O ATOM 994 OE2 GLU A 60 34.593 4.213 -7.772 1.00 0.00 O ATOM 0 H GLU A 60 31.032 0.389 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 60 32.989 2.341 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.066 1.796 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 60 33.070 0.361 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.260 2.038 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 60 35.098 1.836 -6.949 1.00 0.00 H new ATOM 1001 N LYS A 61 33.833 -0.881 -9.092 1.00 0.00 N ATOM 1002 CA LYS A 61 34.875 -1.844 -9.514 1.00 0.00 C ATOM 1003 C LYS A 61 35.039 -1.832 -11.045 1.00 0.00 C ATOM 1004 O LYS A 61 36.168 -1.880 -11.553 1.00 0.00 O ATOM 1005 CB LYS A 61 34.580 -3.288 -8.989 1.00 0.00 C ATOM 1006 CG LYS A 61 33.391 -4.027 -9.658 1.00 0.00 C ATOM 1007 CD LYS A 61 33.156 -5.446 -9.078 1.00 0.00 C ATOM 1008 CE LYS A 61 32.167 -6.286 -9.919 1.00 0.00 C ATOM 1009 NZ LYS A 61 30.817 -5.670 -10.009 1.00 0.00 N ATOM 0 H LYS A 61 32.984 -1.318 -8.734 1.00 0.00 H new ATOM 0 HA LYS A 61 35.817 -1.527 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 61 35.478 -3.892 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.390 -3.231 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.485 -3.434 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 61 33.575 -4.104 -10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 61 34.110 -5.970 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.776 -5.358 -8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.570 -6.415 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.079 -7.280 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.243 -6.191 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.355 -5.710 -9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.907 -4.678 -10.309 1.00 0.00 H new ATOM 1023 N GLU A 62 33.898 -1.736 -11.772 1.00 0.00 N ATOM 1024 CA GLU A 62 33.896 -1.687 -13.246 1.00 0.00 C ATOM 1025 C GLU A 62 34.456 -0.342 -13.726 1.00 0.00 C ATOM 1026 O GLU A 62 35.132 -0.290 -14.743 1.00 0.00 O ATOM 1027 CB GLU A 62 32.471 -1.912 -13.831 1.00 0.00 C ATOM 1028 CG GLU A 62 31.432 -0.841 -13.441 1.00 0.00 C ATOM 1029 CD GLU A 62 30.076 -0.982 -14.146 1.00 0.00 C ATOM 1030 OE1 GLU A 62 29.299 -1.889 -13.782 1.00 0.00 O ATOM 1031 OE2 GLU A 62 29.773 -0.175 -15.050 1.00 0.00 O ATOM 0 H GLU A 62 32.968 -1.691 -11.355 1.00 0.00 H new ATOM 0 HA GLU A 62 34.531 -2.496 -13.606 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.542 -1.949 -14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 62 32.109 -2.886 -13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.273 -0.883 -12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.843 0.144 -13.665 1.00 0.00 H new ATOM 1038 N ARG A 63 34.169 0.731 -12.955 1.00 0.00 N ATOM 1039 CA ARG A 63 34.613 2.110 -13.246 1.00 0.00 C ATOM 1040 C ARG A 63 36.145 2.199 -13.265 1.00 0.00 C ATOM 1041 O ARG A 63 36.730 2.834 -14.158 1.00 0.00 O ATOM 1042 CB ARG A 63 34.032 3.083 -12.190 1.00 0.00 C ATOM 1043 CG ARG A 63 34.521 4.532 -12.307 1.00 0.00 C ATOM 1044 CD ARG A 63 34.032 5.403 -11.141 1.00 0.00 C ATOM 1045 NE ARG A 63 34.697 6.714 -11.128 1.00 0.00 N ATOM 1046 CZ ARG A 63 35.025 7.408 -10.028 1.00 0.00 C ATOM 1047 NH1 ARG A 63 34.781 6.928 -8.816 1.00 0.00 N ATOM 1048 NH2 ARG A 63 35.604 8.588 -10.160 1.00 0.00 N ATOM 0 H ARG A 63 33.615 0.661 -12.102 1.00 0.00 H new ATOM 0 HA ARG A 63 34.245 2.391 -14.233 1.00 0.00 H new ATOM 0 HB2 ARG A 63 32.945 3.075 -12.269 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.282 2.710 -11.197 1.00 0.00 H new ATOM 0 HG2 ARG A 63 35.611 4.545 -12.337 1.00 0.00 H new ATOM 0 HG3 ARG A 63 34.172 4.957 -13.248 1.00 0.00 H new ATOM 0 HD2 ARG A 63 32.954 5.542 -11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 63 34.221 4.889 -10.198 1.00 0.00 H new ATOM 0 HE ARG A 63 34.928 7.130 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 63 34.337 6.016 -8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 63 35.038 7.471 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 63 35.796 8.961 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 63 35.859 9.127 -9.332 1.00 0.00 H new ATOM 1062 N ASN A 64 36.780 1.556 -12.270 1.00 0.00 N ATOM 1063 CA ASN A 64 38.243 1.520 -12.162 1.00 0.00 C ATOM 1064 C ASN A 64 38.831 0.737 -13.347 1.00 0.00 C ATOM 1065 O ASN A 64 39.729 1.219 -14.016 1.00 0.00 O ATOM 1066 CB ASN A 64 38.694 0.876 -10.825 1.00 0.00 C ATOM 1067 CG ASN A 64 40.199 1.027 -10.571 1.00 0.00 C ATOM 1068 OD1 ASN A 64 40.792 2.065 -10.864 1.00 0.00 O ATOM 1069 ND2 ASN A 64 40.830 -0.009 -10.041 1.00 0.00 N ATOM 0 H ASN A 64 36.297 1.052 -11.526 1.00 0.00 H new ATOM 0 HA ASN A 64 38.612 2.546 -12.182 1.00 0.00 H new ATOM 0 HB2 ASN A 64 38.144 1.333 -10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 64 38.436 -0.183 -10.832 1.00 0.00 H new ATOM 0 HD21 ASN A 64 41.834 0.040 -9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 64 40.313 -0.857 -9.808 1.00 0.00 H new