USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0.375 (180deg=0.209) USER MOD Single : A 3 THR OG1 : rot 50:sc= 1.18 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= -0.109 (180deg=-0.596) USER MOD Single : A 12 THR OG1 : rot -42:sc= 1.15 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.069 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.415 X(o=-0.41,f=-0.23) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -4.83! C(o=-4.8!,f=-2.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0714 USER MOD Single : A 46 TYR OH : rot -156:sc= 0.16 USER MOD Single : A 50 THR OG1 : rot -43:sc= 0.517 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 0.124 (180deg=0.0604) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.679 1.123 1.527 1.00 0.00 N ATOM 2 CA MET A 1 -16.266 0.120 0.516 1.00 0.00 C ATOM 3 C MET A 1 -15.767 -1.120 1.252 1.00 0.00 C ATOM 4 O MET A 1 -16.549 -2.058 1.388 1.00 0.00 O ATOM 5 CB MET A 1 -15.193 0.713 -0.411 1.00 0.00 C ATOM 6 CG MET A 1 -15.343 0.302 -1.879 1.00 0.00 C ATOM 7 SD MET A 1 -16.838 0.982 -2.636 1.00 0.00 S ATOM 8 CE MET A 1 -16.680 0.329 -4.320 1.00 0.00 C ATOM 0 H1 MET A 1 -17.306 1.825 1.084 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.184 0.647 2.302 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.837 1.601 1.906 1.00 0.00 H new ATOM 0 HA MET A 1 -17.108 -0.161 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.229 1.800 -0.343 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.210 0.404 -0.056 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.470 0.639 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.366 -0.786 -1.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.529 0.659 -4.919 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.756 0.695 -4.767 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.661 -0.760 -4.288 1.00 0.00 H new ATOM 18 N GLY A 2 -14.505 -1.160 1.687 1.00 0.00 N ATOM 19 CA GLY A 2 -13.974 -2.212 2.558 1.00 0.00 C ATOM 20 C GLY A 2 -12.631 -1.843 3.186 1.00 0.00 C ATOM 21 O GLY A 2 -12.240 -0.679 3.190 1.00 0.00 O ATOM 0 H GLY A 2 -13.813 -0.452 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.694 -2.420 3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.860 -3.130 1.982 1.00 0.00 H new ATOM 25 N THR A 3 -11.933 -2.852 3.718 1.00 0.00 N ATOM 26 CA THR A 3 -10.592 -2.747 4.315 1.00 0.00 C ATOM 27 C THR A 3 -9.533 -3.157 3.294 1.00 0.00 C ATOM 28 O THR A 3 -9.726 -4.109 2.545 1.00 0.00 O ATOM 29 CB THR A 3 -10.481 -3.604 5.587 1.00 0.00 C ATOM 30 OG1 THR A 3 -9.137 -3.676 6.000 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.989 -5.031 5.383 1.00 0.00 C ATOM 0 H THR A 3 -12.299 -3.804 3.747 1.00 0.00 H new ATOM 0 HA THR A 3 -10.424 -1.709 4.601 1.00 0.00 H new ATOM 0 HB THR A 3 -11.103 -3.121 6.341 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.758 -2.773 6.040 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.887 -5.590 6.313 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.038 -5.005 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.405 -5.517 4.601 1.00 0.00 H new ATOM 39 N TYR A 4 -8.420 -2.424 3.258 1.00 0.00 N ATOM 40 CA TYR A 4 -7.286 -2.689 2.364 1.00 0.00 C ATOM 41 C TYR A 4 -5.965 -2.838 3.145 1.00 0.00 C ATOM 42 O TYR A 4 -5.693 -2.072 4.062 1.00 0.00 O ATOM 43 CB TYR A 4 -7.197 -1.573 1.307 1.00 0.00 C ATOM 44 CG TYR A 4 -8.436 -1.446 0.440 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.668 -2.355 -0.623 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.381 -0.438 0.736 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.855 -2.247 -1.383 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.561 -0.331 -0.022 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.800 -1.234 -1.083 1.00 0.00 C ATOM 50 OH TYR A 4 -11.939 -1.132 -1.818 1.00 0.00 O ATOM 0 H TYR A 4 -8.276 -1.613 3.860 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.453 -3.641 1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.019 -0.623 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.335 -1.761 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.944 -3.123 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.197 0.252 1.546 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.042 -2.937 -2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.283 0.439 0.206 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.480 -0.387 -1.482 1.00 0.00 H new ATOM 60 N LYS A 5 -5.142 -3.820 2.764 1.00 0.00 N ATOM 61 CA LYS A 5 -3.837 -4.065 3.411 1.00 0.00 C ATOM 62 C LYS A 5 -2.634 -3.545 2.587 1.00 0.00 C ATOM 63 O LYS A 5 -2.745 -3.404 1.373 1.00 0.00 O ATOM 64 CB LYS A 5 -3.739 -5.563 3.780 1.00 0.00 C ATOM 65 CG LYS A 5 -2.901 -5.794 5.049 1.00 0.00 C ATOM 66 CD LYS A 5 -2.727 -7.291 5.332 1.00 0.00 C ATOM 67 CE LYS A 5 -1.866 -7.474 6.590 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.197 -8.799 6.615 1.00 0.00 N ATOM 0 H LYS A 5 -5.354 -4.467 2.004 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.783 -3.479 4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.741 -5.965 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.296 -6.112 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.923 -5.327 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.384 -5.314 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.700 -7.762 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.255 -7.781 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.114 -6.687 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.491 -7.366 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.626 -8.883 7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.915 -9.551 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.581 -8.892 5.783 1.00 0.00 H new ATOM 82 N LEU A 6 -1.519 -3.239 3.256 1.00 0.00 N ATOM 83 CA LEU A 6 -0.341 -2.595 2.668 1.00 0.00 C ATOM 84 C LEU A 6 0.931 -3.135 3.337 1.00 0.00 C ATOM 85 O LEU A 6 0.929 -3.427 4.526 1.00 0.00 O ATOM 86 CB LEU A 6 -0.487 -1.064 2.827 1.00 0.00 C ATOM 87 CG LEU A 6 -0.785 -0.275 1.535 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.460 1.075 1.819 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.522 -0.040 0.766 1.00 0.00 C ATOM 0 H LEU A 6 -1.408 -3.438 4.250 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.262 -2.820 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.286 -0.868 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.433 -0.675 3.263 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.477 -0.870 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.649 1.592 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.404 0.908 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.806 1.684 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.312 0.517 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.213 0.529 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.971 -1.000 0.510 1.00 0.00 H new ATOM 101 N ILE A 7 2.010 -3.271 2.568 1.00 0.00 N ATOM 102 CA ILE A 7 3.387 -3.439 3.058 1.00 0.00 C ATOM 103 C ILE A 7 4.372 -2.901 2.013 1.00 0.00 C ATOM 104 O ILE A 7 4.218 -3.207 0.834 1.00 0.00 O ATOM 105 CB ILE A 7 3.644 -4.921 3.455 1.00 0.00 C ATOM 106 CG1 ILE A 7 5.077 -5.115 4.002 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.343 -5.891 2.295 1.00 0.00 C ATOM 108 CD1 ILE A 7 5.400 -6.563 4.387 1.00 0.00 C ATOM 0 H ILE A 7 1.953 -3.268 1.550 1.00 0.00 H new ATOM 0 HA ILE A 7 3.541 -2.856 3.966 1.00 0.00 H new ATOM 0 HB ILE A 7 2.948 -5.164 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.792 -4.781 3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.212 -4.478 4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.536 -6.914 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.298 -5.794 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.982 -5.651 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.422 -6.620 4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.710 -6.896 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.298 -7.204 3.511 1.00 0.00 H new ATOM 120 N LEU A 8 5.355 -2.101 2.432 1.00 0.00 N ATOM 121 CA LEU A 8 6.483 -1.657 1.610 1.00 0.00 C ATOM 122 C LEU A 8 7.701 -2.553 1.874 1.00 0.00 C ATOM 123 O LEU A 8 7.918 -2.965 3.008 1.00 0.00 O ATOM 124 CB LEU A 8 6.764 -0.170 1.928 1.00 0.00 C ATOM 125 CG LEU A 8 5.548 0.777 1.862 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.651 0.494 0.648 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.720 0.640 3.148 1.00 0.00 C ATOM 0 H LEU A 8 5.389 -1.733 3.383 1.00 0.00 H new ATOM 0 HA LEU A 8 6.251 -1.742 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.194 -0.108 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.520 0.193 1.232 1.00 0.00 H new ATOM 0 HG LEU A 8 5.931 1.792 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.810 1.187 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.227 0.622 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.278 -0.529 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.861 1.309 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.373 -0.388 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.337 0.902 4.008 1.00 0.00 H new ATOM 139 N ASN A 9 8.481 -2.843 0.832 1.00 0.00 N ATOM 140 CA ASN A 9 9.789 -3.504 0.911 1.00 0.00 C ATOM 141 C ASN A 9 10.859 -2.662 0.179 1.00 0.00 C ATOM 142 O ASN A 9 10.781 -2.515 -1.036 1.00 0.00 O ATOM 143 CB ASN A 9 9.680 -4.936 0.339 1.00 0.00 C ATOM 144 CG ASN A 9 8.854 -5.893 1.197 1.00 0.00 C ATOM 145 OD1 ASN A 9 9.351 -6.600 2.061 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.556 -5.950 0.973 1.00 0.00 N ATOM 0 H ASN A 9 8.212 -2.617 -0.126 1.00 0.00 H new ATOM 0 HA ASN A 9 10.102 -3.584 1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.238 -4.885 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.683 -5.345 0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.971 -6.582 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.136 -5.362 0.253 1.00 0.00 H new ATOM 153 N GLY A 10 11.840 -2.128 0.910 1.00 0.00 N ATOM 154 CA GLY A 10 12.949 -1.349 0.354 1.00 0.00 C ATOM 155 C GLY A 10 14.316 -1.973 0.634 1.00 0.00 C ATOM 156 O GLY A 10 14.428 -3.034 1.235 1.00 0.00 O ATOM 0 H GLY A 10 11.887 -2.227 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.814 -1.252 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.923 -0.342 0.770 1.00 0.00 H new ATOM 160 N LYS A 11 15.376 -1.292 0.186 1.00 0.00 N ATOM 161 CA LYS A 11 16.768 -1.700 0.460 1.00 0.00 C ATOM 162 C LYS A 11 17.062 -1.918 1.963 1.00 0.00 C ATOM 163 O LYS A 11 17.562 -2.978 2.332 1.00 0.00 O ATOM 164 CB LYS A 11 17.724 -0.697 -0.225 1.00 0.00 C ATOM 165 CG LYS A 11 19.147 -1.260 -0.373 1.00 0.00 C ATOM 166 CD LYS A 11 19.998 -0.383 -1.298 1.00 0.00 C ATOM 167 CE LYS A 11 21.454 -0.866 -1.262 1.00 0.00 C ATOM 168 NZ LYS A 11 22.051 -0.720 0.089 1.00 0.00 N ATOM 0 H LYS A 11 15.299 -0.444 -0.376 1.00 0.00 H new ATOM 0 HA LYS A 11 16.937 -2.687 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.333 -0.439 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.758 0.225 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.619 -1.324 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.100 -2.274 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.613 -0.429 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.941 0.659 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.498 -1.911 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 11 22.043 -0.299 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.975 -0.248 0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.420 -0.150 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.177 -1.660 0.516 1.00 0.00 H new ATOM 182 N THR A 12 16.785 -0.911 2.794 1.00 0.00 N ATOM 183 CA THR A 12 16.933 -0.939 4.258 1.00 0.00 C ATOM 184 C THR A 12 15.704 -0.318 4.918 1.00 0.00 C ATOM 185 O THR A 12 15.816 0.333 5.952 1.00 0.00 O ATOM 186 CB THR A 12 18.214 -0.211 4.703 1.00 0.00 C ATOM 187 OG1 THR A 12 18.315 -0.235 6.106 1.00 0.00 O ATOM 188 CG2 THR A 12 18.250 1.249 4.251 1.00 0.00 C ATOM 0 H THR A 12 16.437 -0.014 2.455 1.00 0.00 H new ATOM 0 HA THR A 12 17.018 -1.979 4.574 1.00 0.00 H new ATOM 0 HB THR A 12 19.047 -0.737 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.437 -0.051 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.175 1.713 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.201 1.294 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.399 1.782 4.675 1.00 0.00 H new ATOM 196 N LEU A 13 14.534 -0.512 4.305 1.00 0.00 N ATOM 197 CA LEU A 13 13.271 0.120 4.693 1.00 0.00 C ATOM 198 C LEU A 13 12.134 -0.910 4.623 1.00 0.00 C ATOM 199 O LEU A 13 12.142 -1.787 3.768 1.00 0.00 O ATOM 200 CB LEU A 13 13.026 1.336 3.768 1.00 0.00 C ATOM 201 CG LEU A 13 13.581 2.687 4.265 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.489 3.785 3.195 1.00 0.00 C ATOM 203 CD2 LEU A 13 12.807 3.127 5.515 1.00 0.00 C ATOM 0 H LEU A 13 14.437 -1.132 3.501 1.00 0.00 H new ATOM 0 HA LEU A 13 13.312 0.478 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.466 1.121 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.952 1.441 3.616 1.00 0.00 H new ATOM 0 HG LEU A 13 14.636 2.543 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.892 4.716 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.063 3.487 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.446 3.932 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.198 4.081 5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.751 3.236 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.922 2.377 6.297 1.00 0.00 H new ATOM 215 N LYS A 14 11.152 -0.800 5.524 1.00 0.00 N ATOM 216 CA LYS A 14 10.111 -1.828 5.708 1.00 0.00 C ATOM 217 C LYS A 14 8.908 -1.346 6.554 1.00 0.00 C ATOM 218 O LYS A 14 9.021 -0.348 7.260 1.00 0.00 O ATOM 219 CB LYS A 14 10.775 -3.117 6.248 1.00 0.00 C ATOM 220 CG LYS A 14 10.433 -4.348 5.392 1.00 0.00 C ATOM 221 CD LYS A 14 11.080 -5.616 5.960 1.00 0.00 C ATOM 222 CE LYS A 14 10.824 -6.789 5.007 1.00 0.00 C ATOM 223 NZ LYS A 14 11.534 -8.019 5.441 1.00 0.00 N ATOM 0 H LYS A 14 11.053 0.001 6.147 1.00 0.00 H new ATOM 0 HA LYS A 14 9.662 -2.048 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.856 -2.983 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.450 -3.289 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.351 -4.476 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.775 -4.189 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.152 -5.465 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.669 -5.837 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.753 -6.987 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.148 -6.518 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.336 -8.789 4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.558 -7.838 5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.207 -8.293 6.389 1.00 0.00 H new ATOM 237 N GLY A 15 7.768 -2.030 6.447 1.00 0.00 N ATOM 238 CA GLY A 15 6.587 -1.793 7.283 1.00 0.00 C ATOM 239 C GLY A 15 5.276 -2.115 6.566 1.00 0.00 C ATOM 240 O GLY A 15 5.165 -1.919 5.363 1.00 0.00 O ATOM 0 H GLY A 15 7.636 -2.777 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.660 -2.399 8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.575 -0.750 7.599 1.00 0.00 H new ATOM 244 N GLU A 16 4.299 -2.608 7.326 1.00 0.00 N ATOM 245 CA GLU A 16 2.991 -3.062 6.852 1.00 0.00 C ATOM 246 C GLU A 16 1.902 -2.371 7.698 1.00 0.00 C ATOM 247 O GLU A 16 2.209 -1.855 8.767 1.00 0.00 O ATOM 248 CB GLU A 16 2.932 -4.604 6.938 1.00 0.00 C ATOM 249 CG GLU A 16 2.747 -5.141 8.365 1.00 0.00 C ATOM 250 CD GLU A 16 2.912 -6.657 8.423 1.00 0.00 C ATOM 251 OE1 GLU A 16 4.043 -7.099 8.720 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.899 -7.350 8.188 1.00 0.00 O ATOM 0 H GLU A 16 4.402 -2.707 8.336 1.00 0.00 H new ATOM 0 HA GLU A 16 2.823 -2.793 5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.111 -4.962 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.851 -5.017 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.473 -4.670 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.757 -4.868 8.731 1.00 0.00 H new ATOM 259 N THR A 17 0.657 -2.355 7.219 1.00 0.00 N ATOM 260 CA THR A 17 -0.495 -1.648 7.776 1.00 0.00 C ATOM 261 C THR A 17 -1.790 -2.157 7.140 1.00 0.00 C ATOM 262 O THR A 17 -1.751 -2.936 6.190 1.00 0.00 O ATOM 263 CB THR A 17 -0.345 -0.136 7.568 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.299 0.546 8.342 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.528 0.281 6.107 1.00 0.00 C ATOM 0 H THR A 17 0.411 -2.871 6.374 1.00 0.00 H new ATOM 0 HA THR A 17 -0.540 -1.843 8.847 1.00 0.00 H new ATOM 0 HB THR A 17 0.670 0.122 7.872 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.199 1.512 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.411 1.361 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.221 -0.216 5.490 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.524 -0.005 5.769 1.00 0.00 H new ATOM 273 N THR A 18 -2.931 -1.721 7.681 1.00 0.00 N ATOM 274 CA THR A 18 -4.281 -1.934 7.137 1.00 0.00 C ATOM 275 C THR A 18 -5.100 -0.650 7.256 1.00 0.00 C ATOM 276 O THR A 18 -4.816 0.184 8.113 1.00 0.00 O ATOM 277 CB THR A 18 -4.992 -3.098 7.851 1.00 0.00 C ATOM 278 OG1 THR A 18 -6.037 -3.584 7.044 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.585 -2.690 9.198 1.00 0.00 C ATOM 0 H THR A 18 -2.943 -1.186 8.549 1.00 0.00 H new ATOM 0 HA THR A 18 -4.188 -2.199 6.084 1.00 0.00 H new ATOM 0 HB THR A 18 -4.236 -3.864 8.027 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.486 -4.325 7.501 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.074 -3.550 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.790 -2.333 9.853 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.315 -1.895 9.048 1.00 0.00 H new ATOM 287 N THR A 19 -6.099 -0.494 6.383 1.00 0.00 N ATOM 288 CA THR A 19 -6.997 0.668 6.305 1.00 0.00 C ATOM 289 C THR A 19 -8.443 0.201 6.156 1.00 0.00 C ATOM 290 O THR A 19 -8.679 -0.978 5.920 1.00 0.00 O ATOM 291 CB THR A 19 -6.604 1.599 5.144 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.385 0.840 3.978 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.338 2.403 5.433 1.00 0.00 C ATOM 0 H THR A 19 -6.315 -1.202 5.681 1.00 0.00 H new ATOM 0 HA THR A 19 -6.903 1.237 7.230 1.00 0.00 H new ATOM 0 HB THR A 19 -7.430 2.298 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.137 1.437 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.110 3.041 4.580 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.493 3.021 6.317 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.506 1.721 5.609 1.00 0.00 H new ATOM 301 N GLU A 20 -9.389 1.126 6.309 1.00 0.00 N ATOM 302 CA GLU A 20 -10.769 1.029 5.831 1.00 0.00 C ATOM 303 C GLU A 20 -11.149 2.356 5.148 1.00 0.00 C ATOM 304 O GLU A 20 -10.923 3.416 5.721 1.00 0.00 O ATOM 305 CB GLU A 20 -11.693 0.685 7.018 1.00 0.00 C ATOM 306 CG GLU A 20 -13.170 0.533 6.629 1.00 0.00 C ATOM 307 CD GLU A 20 -13.954 -0.229 7.694 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.337 0.417 8.692 1.00 0.00 O ATOM 309 OE2 GLU A 20 -14.142 -1.451 7.502 1.00 0.00 O ATOM 0 H GLU A 20 -9.206 2.005 6.792 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.879 0.233 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.350 -0.243 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.604 1.466 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.613 1.519 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.244 0.009 5.676 1.00 0.00 H new ATOM 316 N ALA A 21 -11.689 2.290 3.930 1.00 0.00 N ATOM 317 CA ALA A 21 -11.937 3.436 3.055 1.00 0.00 C ATOM 318 C ALA A 21 -13.409 3.467 2.602 1.00 0.00 C ATOM 319 O ALA A 21 -14.010 2.417 2.422 1.00 0.00 O ATOM 320 CB ALA A 21 -10.972 3.373 1.858 1.00 0.00 C ATOM 0 H ALA A 21 -11.976 1.405 3.511 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.754 4.362 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.151 4.224 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.944 3.402 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.137 2.448 1.306 1.00 0.00 H new ATOM 326 N VAL A 22 -13.959 4.665 2.413 1.00 0.00 N ATOM 327 CA VAL A 22 -15.360 4.924 2.045 1.00 0.00 C ATOM 328 C VAL A 22 -15.525 4.719 0.533 1.00 0.00 C ATOM 329 O VAL A 22 -16.602 4.318 0.111 1.00 0.00 O ATOM 330 CB VAL A 22 -15.825 6.333 2.506 1.00 0.00 C ATOM 331 CG1 VAL A 22 -15.572 6.590 4.004 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.183 7.456 1.673 1.00 0.00 C ATOM 0 H VAL A 22 -13.420 5.525 2.516 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.006 4.216 2.564 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.903 6.345 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.918 7.590 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.114 5.853 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.505 6.509 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.537 8.423 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.099 7.408 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.458 7.334 0.625 1.00 0.00 H new ATOM 342 N ASP A 23 -14.483 5.021 -0.242 1.00 0.00 N ATOM 343 CA ASP A 23 -14.343 4.730 -1.676 1.00 0.00 C ATOM 344 C ASP A 23 -12.905 4.243 -1.967 1.00 0.00 C ATOM 345 O ASP A 23 -11.993 4.560 -1.213 1.00 0.00 O ATOM 346 CB ASP A 23 -14.721 5.985 -2.496 1.00 0.00 C ATOM 347 CG ASP A 23 -15.191 5.690 -3.929 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.328 5.657 -4.841 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.416 5.531 -4.112 1.00 0.00 O ATOM 0 H ASP A 23 -13.665 5.503 0.132 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.022 3.931 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.511 6.523 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.858 6.649 -2.539 1.00 0.00 H new ATOM 354 N ALA A 24 -12.726 3.474 -3.043 1.00 0.00 N ATOM 355 CA ALA A 24 -11.430 2.990 -3.527 1.00 0.00 C ATOM 356 C ALA A 24 -10.573 4.163 -4.042 1.00 0.00 C ATOM 357 O ALA A 24 -9.370 4.008 -4.221 1.00 0.00 O ATOM 358 CB ALA A 24 -11.656 1.922 -4.613 1.00 0.00 C ATOM 0 H ALA A 24 -13.505 3.160 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.880 2.530 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.693 1.561 -4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.221 1.090 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.214 2.358 -5.442 1.00 0.00 H new ATOM 364 N ALA A 25 -11.198 5.319 -4.263 1.00 0.00 N ATOM 365 CA ALA A 25 -10.539 6.584 -4.596 1.00 0.00 C ATOM 366 C ALA A 25 -9.719 7.100 -3.399 1.00 0.00 C ATOM 367 O ALA A 25 -8.617 7.606 -3.586 1.00 0.00 O ATOM 368 CB ALA A 25 -11.602 7.602 -5.044 1.00 0.00 C ATOM 0 H ALA A 25 -12.213 5.405 -4.214 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.839 6.431 -5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.119 8.547 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.126 7.220 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.316 7.762 -4.236 1.00 0.00 H new ATOM 374 N THR A 26 -10.261 6.953 -2.186 1.00 0.00 N ATOM 375 CA THR A 26 -9.636 7.347 -0.913 1.00 0.00 C ATOM 376 C THR A 26 -8.395 6.495 -0.655 1.00 0.00 C ATOM 377 O THR A 26 -7.315 7.030 -0.430 1.00 0.00 O ATOM 378 CB THR A 26 -10.630 7.226 0.256 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.697 8.126 0.072 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.987 7.522 1.610 1.00 0.00 C ATOM 0 H THR A 26 -11.184 6.540 -2.056 1.00 0.00 H new ATOM 0 HA THR A 26 -9.338 8.393 -0.986 1.00 0.00 H new ATOM 0 HB THR A 26 -10.980 6.194 0.260 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.240 8.160 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.734 7.422 2.397 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.175 6.818 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.593 8.538 1.611 1.00 0.00 H new ATOM 388 N ALA A 27 -8.563 5.173 -0.674 1.00 0.00 N ATOM 389 CA ALA A 27 -7.482 4.186 -0.727 1.00 0.00 C ATOM 390 C ALA A 27 -6.416 4.603 -1.758 1.00 0.00 C ATOM 391 O ALA A 27 -5.241 4.656 -1.421 1.00 0.00 O ATOM 392 CB ALA A 27 -8.077 2.805 -1.044 1.00 0.00 C ATOM 0 H ALA A 27 -9.488 4.744 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.983 4.133 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.278 2.065 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.788 2.528 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.588 2.841 -2.006 1.00 0.00 H new ATOM 398 N GLU A 28 -6.846 4.904 -2.982 1.00 0.00 N ATOM 399 CA GLU A 28 -6.003 5.264 -4.124 1.00 0.00 C ATOM 400 C GLU A 28 -5.242 6.560 -3.785 1.00 0.00 C ATOM 401 O GLU A 28 -4.135 6.768 -4.270 1.00 0.00 O ATOM 402 CB GLU A 28 -6.887 5.402 -5.381 1.00 0.00 C ATOM 403 CG GLU A 28 -6.109 5.800 -6.643 1.00 0.00 C ATOM 404 CD GLU A 28 -6.976 5.696 -7.894 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.986 4.599 -8.493 1.00 0.00 O ATOM 406 OE2 GLU A 28 -7.631 6.709 -8.221 1.00 0.00 O ATOM 0 H GLU A 28 -7.839 4.904 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.264 4.491 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.396 4.455 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.659 6.147 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.742 6.821 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.236 5.157 -6.751 1.00 0.00 H new ATOM 413 N LYS A 29 -5.847 7.439 -2.980 1.00 0.00 N ATOM 414 CA LYS A 29 -5.167 8.628 -2.434 1.00 0.00 C ATOM 415 C LYS A 29 -4.078 8.289 -1.386 1.00 0.00 C ATOM 416 O LYS A 29 -3.022 8.905 -1.398 1.00 0.00 O ATOM 417 CB LYS A 29 -6.235 9.622 -1.924 1.00 0.00 C ATOM 418 CG LYS A 29 -5.637 11.003 -1.605 1.00 0.00 C ATOM 419 CD LYS A 29 -6.636 11.877 -0.840 1.00 0.00 C ATOM 420 CE LYS A 29 -5.951 13.181 -0.412 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.884 14.091 0.299 1.00 0.00 N ATOM 0 H LYS A 29 -6.820 7.351 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.603 9.108 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.016 9.731 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.708 9.217 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.729 10.881 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.350 11.500 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.499 12.096 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.006 11.344 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.105 12.951 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.551 13.686 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.382 14.960 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.679 14.332 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.246 13.619 1.152 1.00 0.00 H new ATOM 435 N VAL A 30 -4.366 7.348 -0.487 1.00 0.00 N ATOM 436 CA VAL A 30 -3.466 6.867 0.574 1.00 0.00 C ATOM 437 C VAL A 30 -2.192 6.303 -0.069 1.00 0.00 C ATOM 438 O VAL A 30 -1.097 6.602 0.396 1.00 0.00 O ATOM 439 CB VAL A 30 -4.162 5.829 1.497 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.180 4.900 2.225 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.060 6.488 2.546 1.00 0.00 C ATOM 0 H VAL A 30 -5.270 6.877 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.196 7.704 1.218 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.767 5.233 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.736 4.202 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.594 4.344 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.512 5.494 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.522 5.719 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.462 7.148 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.837 7.068 2.047 1.00 0.00 H new ATOM 451 N PHE A 31 -2.343 5.477 -1.105 1.00 0.00 N ATOM 452 CA PHE A 31 -1.264 4.691 -1.710 1.00 0.00 C ATOM 453 C PHE A 31 -0.028 5.571 -1.974 1.00 0.00 C ATOM 454 O PHE A 31 1.089 5.192 -1.644 1.00 0.00 O ATOM 455 CB PHE A 31 -1.777 4.018 -2.997 1.00 0.00 C ATOM 456 CG PHE A 31 -2.918 3.043 -2.773 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.147 2.495 -1.496 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.775 2.713 -3.840 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.233 1.624 -1.289 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.857 1.842 -3.632 1.00 0.00 C ATOM 461 CZ PHE A 31 -5.088 1.297 -2.356 1.00 0.00 C ATOM 0 H PHE A 31 -3.244 5.331 -1.560 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.953 3.909 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.105 4.791 -3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.950 3.490 -3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.490 2.743 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.600 3.130 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.410 1.206 -0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.512 1.590 -4.453 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.921 0.628 -2.196 1.00 0.00 H new ATOM 471 N LYS A 32 -0.237 6.752 -2.565 1.00 0.00 N ATOM 472 CA LYS A 32 0.856 7.677 -2.919 1.00 0.00 C ATOM 473 C LYS A 32 1.514 8.356 -1.693 1.00 0.00 C ATOM 474 O LYS A 32 2.729 8.501 -1.646 1.00 0.00 O ATOM 475 CB LYS A 32 0.339 8.674 -3.981 1.00 0.00 C ATOM 476 CG LYS A 32 1.486 9.337 -4.761 1.00 0.00 C ATOM 477 CD LYS A 32 0.954 10.142 -5.953 1.00 0.00 C ATOM 478 CE LYS A 32 2.131 10.760 -6.719 1.00 0.00 C ATOM 479 NZ LYS A 32 1.692 11.412 -7.978 1.00 0.00 N ATOM 0 H LYS A 32 -1.164 7.097 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 32 1.675 7.103 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.318 8.153 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.259 9.444 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.048 9.994 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.178 8.573 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.376 9.495 -6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.281 10.926 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.631 11.493 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.862 9.985 -6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.517 11.817 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.237 10.708 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.014 12.169 -7.759 1.00 0.00 H new ATOM 493 N GLN A 33 0.704 8.796 -0.731 1.00 0.00 N ATOM 494 CA GLN A 33 1.150 9.538 0.446 1.00 0.00 C ATOM 495 C GLN A 33 1.845 8.568 1.410 1.00 0.00 C ATOM 496 O GLN A 33 2.986 8.806 1.788 1.00 0.00 O ATOM 497 CB GLN A 33 -0.070 10.223 1.094 1.00 0.00 C ATOM 498 CG GLN A 33 0.234 10.876 2.453 1.00 0.00 C ATOM 499 CD GLN A 33 -0.052 9.956 3.643 1.00 0.00 C ATOM 500 OE1 GLN A 33 0.763 9.724 4.515 1.00 0.00 O ATOM 501 NE2 GLN A 33 -1.236 9.388 3.733 1.00 0.00 N ATOM 0 H GLN A 33 -0.304 8.642 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 33 1.867 10.313 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.452 10.984 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.862 9.486 1.225 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.282 11.176 2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.360 11.784 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.941 9.563 3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.448 8.773 4.519 1.00 0.00 H new ATOM 510 N TYR A 34 1.167 7.486 1.798 1.00 0.00 N ATOM 511 CA TYR A 34 1.583 6.600 2.890 1.00 0.00 C ATOM 512 C TYR A 34 2.987 6.012 2.648 1.00 0.00 C ATOM 513 O TYR A 34 3.811 6.001 3.555 1.00 0.00 O ATOM 514 CB TYR A 34 0.531 5.490 3.073 1.00 0.00 C ATOM 515 CG TYR A 34 1.047 4.272 3.813 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.274 3.063 3.124 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.348 4.367 5.185 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.797 1.947 3.808 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.873 3.256 5.873 1.00 0.00 C ATOM 520 CZ TYR A 34 2.099 2.042 5.186 1.00 0.00 C ATOM 521 OH TYR A 34 2.607 0.970 5.852 1.00 0.00 O ATOM 0 H TYR A 34 0.296 7.194 1.354 1.00 0.00 H new ATOM 0 HA TYR A 34 1.648 7.184 3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.323 5.898 3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.169 5.181 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.047 2.992 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.176 5.294 5.711 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.967 1.020 3.280 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.103 3.332 6.926 1.00 0.00 H new ATOM 0 HH TYR A 34 2.757 1.209 6.790 1.00 0.00 H new ATOM 531 N ALA A 35 3.246 5.542 1.426 1.00 0.00 N ATOM 532 CA ALA A 35 4.411 4.732 1.063 1.00 0.00 C ATOM 533 C ALA A 35 5.628 5.633 0.778 1.00 0.00 C ATOM 534 O ALA A 35 6.735 5.315 1.198 1.00 0.00 O ATOM 535 CB ALA A 35 4.054 3.852 -0.146 1.00 0.00 C ATOM 0 H ALA A 35 2.629 5.721 0.634 1.00 0.00 H new ATOM 0 HA ALA A 35 4.684 4.082 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.917 3.246 -0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.220 3.200 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.772 4.486 -0.987 1.00 0.00 H new ATOM 541 N ASN A 36 5.407 6.747 0.080 1.00 0.00 N ATOM 542 CA ASN A 36 6.399 7.799 -0.175 1.00 0.00 C ATOM 543 C ASN A 36 6.935 8.363 1.160 1.00 0.00 C ATOM 544 O ASN A 36 8.050 8.871 1.161 1.00 0.00 O ATOM 545 CB ASN A 36 5.770 8.895 -1.065 1.00 0.00 C ATOM 546 CG ASN A 36 6.744 9.990 -1.497 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.704 11.124 -1.044 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.653 9.677 -2.400 1.00 0.00 N ATOM 0 H ASN A 36 4.500 6.952 -0.340 1.00 0.00 H new ATOM 0 HA ASN A 36 7.253 7.384 -0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.350 8.427 -1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.942 9.354 -0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.320 10.381 -2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.689 8.731 -2.780 1.00 0.00 H new ATOM 555 N ASP A 37 6.159 8.260 2.237 1.00 0.00 N ATOM 556 CA ASP A 37 6.523 8.609 3.618 1.00 0.00 C ATOM 557 C ASP A 37 7.427 7.503 4.209 1.00 0.00 C ATOM 558 O ASP A 37 8.232 7.784 5.090 1.00 0.00 O ATOM 559 CB ASP A 37 5.241 8.833 4.451 1.00 0.00 C ATOM 560 CG ASP A 37 5.478 9.465 5.830 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.985 10.612 5.877 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.185 8.783 6.835 1.00 0.00 O ATOM 0 H ASP A 37 5.203 7.911 2.170 1.00 0.00 H new ATOM 0 HA ASP A 37 7.090 9.540 3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.562 9.471 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.739 7.875 4.586 1.00 0.00 H new ATOM 567 N ASN A 38 7.274 6.267 3.732 1.00 0.00 N ATOM 568 CA ASN A 38 8.100 5.109 4.095 1.00 0.00 C ATOM 569 C ASN A 38 9.282 4.963 3.109 1.00 0.00 C ATOM 570 O ASN A 38 10.156 4.135 3.336 1.00 0.00 O ATOM 571 CB ASN A 38 7.218 3.840 4.145 1.00 0.00 C ATOM 572 CG ASN A 38 7.540 2.895 5.299 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.497 3.062 6.042 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.746 1.858 5.481 1.00 0.00 N ATOM 0 H ASN A 38 6.545 6.034 3.057 1.00 0.00 H new ATOM 0 HA ASN A 38 8.529 5.256 5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.173 4.141 4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.328 3.298 3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.932 1.200 6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.946 1.714 4.865 1.00 0.00 H new ATOM 581 N GLY A 39 9.303 5.761 2.040 1.00 0.00 N ATOM 582 CA GLY A 39 10.467 5.930 1.164 1.00 0.00 C ATOM 583 C GLY A 39 10.638 4.783 0.169 1.00 0.00 C ATOM 584 O GLY A 39 11.508 3.940 0.335 1.00 0.00 O ATOM 0 H GLY A 39 8.498 6.318 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.369 6.867 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.366 6.010 1.775 1.00 0.00 H new ATOM 588 N VAL A 40 9.792 4.770 -0.862 1.00 0.00 N ATOM 589 CA VAL A 40 9.628 3.672 -1.828 1.00 0.00 C ATOM 590 C VAL A 40 9.897 4.206 -3.243 1.00 0.00 C ATOM 591 O VAL A 40 9.625 5.374 -3.487 1.00 0.00 O ATOM 592 CB VAL A 40 8.231 3.003 -1.703 1.00 0.00 C ATOM 593 CG1 VAL A 40 7.951 2.451 -0.294 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.096 3.953 -2.121 1.00 0.00 C ATOM 0 H VAL A 40 9.173 5.557 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 40 10.353 2.887 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 40 8.257 2.159 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.960 1.997 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.700 1.701 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.994 3.264 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.138 3.443 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.108 4.837 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.237 4.253 -3.159 1.00 0.00 H new ATOM 604 N ASP A 41 10.444 3.365 -4.119 1.00 0.00 N ATOM 605 CA ASP A 41 10.741 3.643 -5.531 1.00 0.00 C ATOM 606 C ASP A 41 10.624 2.336 -6.350 1.00 0.00 C ATOM 607 O ASP A 41 11.590 1.927 -6.987 1.00 0.00 O ATOM 608 CB ASP A 41 12.139 4.292 -5.649 1.00 0.00 C ATOM 609 CG ASP A 41 12.505 4.761 -7.066 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.672 4.547 -7.457 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.610 5.298 -7.762 1.00 0.00 O ATOM 0 H ASP A 41 10.708 2.417 -3.852 1.00 0.00 H new ATOM 0 HA ASP A 41 10.019 4.350 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.188 5.146 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.888 3.576 -5.312 1.00 0.00 H new ATOM 616 N GLY A 42 9.459 1.689 -6.312 1.00 0.00 N ATOM 617 CA GLY A 42 9.241 0.351 -6.869 1.00 0.00 C ATOM 618 C GLY A 42 8.028 0.281 -7.795 1.00 0.00 C ATOM 619 O GLY A 42 7.861 1.133 -8.660 1.00 0.00 O ATOM 0 H GLY A 42 8.623 2.087 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.130 0.043 -7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.110 -0.359 -6.053 1.00 0.00 H new ATOM 623 N GLU A 43 7.194 -0.737 -7.595 1.00 0.00 N ATOM 624 CA GLU A 43 6.104 -1.143 -8.482 1.00 0.00 C ATOM 625 C GLU A 43 5.075 -1.945 -7.665 1.00 0.00 C ATOM 626 O GLU A 43 5.459 -2.670 -6.753 1.00 0.00 O ATOM 627 CB GLU A 43 6.686 -1.947 -9.663 1.00 0.00 C ATOM 628 CG GLU A 43 7.364 -3.257 -9.244 1.00 0.00 C ATOM 629 CD GLU A 43 8.146 -3.880 -10.399 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.632 -4.867 -10.968 1.00 0.00 O ATOM 631 OE2 GLU A 43 9.252 -3.372 -10.681 1.00 0.00 O ATOM 0 H GLU A 43 7.263 -1.331 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 43 5.591 -0.278 -8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.885 -2.172 -10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.410 -1.327 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.038 -3.068 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.610 -3.961 -8.893 1.00 0.00 H new ATOM 638 N TRP A 44 3.786 -1.790 -7.974 1.00 0.00 N ATOM 639 CA TRP A 44 2.674 -2.147 -7.089 1.00 0.00 C ATOM 640 C TRP A 44 1.869 -3.340 -7.642 1.00 0.00 C ATOM 641 O TRP A 44 1.389 -3.284 -8.771 1.00 0.00 O ATOM 642 CB TRP A 44 1.788 -0.911 -6.862 1.00 0.00 C ATOM 643 CG TRP A 44 2.376 0.138 -5.955 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.538 0.835 -6.167 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.830 0.646 -4.704 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.784 1.760 -5.138 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.688 1.683 -4.227 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.679 0.360 -3.930 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.441 2.368 -3.030 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.414 1.060 -2.735 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.293 2.060 -2.285 1.00 0.00 C ATOM 0 H TRP A 44 3.479 -1.404 -8.867 1.00 0.00 H new ATOM 0 HA TRP A 44 3.074 -2.470 -6.128 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.573 -0.455 -7.828 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.835 -1.238 -6.445 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.185 0.691 -7.020 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.595 2.373 -5.057 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.007 -0.406 -4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.128 3.126 -2.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.471 0.826 -2.161 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.085 2.590 -1.367 1.00 0.00 H new ATOM 662 N THR A 45 1.725 -4.397 -6.837 1.00 0.00 N ATOM 663 CA THR A 45 0.977 -5.623 -7.155 1.00 0.00 C ATOM 664 C THR A 45 0.023 -5.961 -6.010 1.00 0.00 C ATOM 665 O THR A 45 0.199 -5.490 -4.893 1.00 0.00 O ATOM 666 CB THR A 45 1.926 -6.800 -7.435 1.00 0.00 C ATOM 667 OG1 THR A 45 2.684 -7.088 -6.285 1.00 0.00 O ATOM 668 CG2 THR A 45 2.897 -6.512 -8.582 1.00 0.00 C ATOM 0 H THR A 45 2.143 -4.426 -5.907 1.00 0.00 H new ATOM 0 HA THR A 45 0.397 -5.446 -8.061 1.00 0.00 H new ATOM 0 HB THR A 45 1.298 -7.645 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.285 -7.840 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.543 -7.376 -8.737 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.334 -6.312 -9.494 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.506 -5.643 -8.334 1.00 0.00 H new ATOM 676 N TYR A 46 -0.996 -6.773 -6.299 1.00 0.00 N ATOM 677 CA TYR A 46 -2.207 -6.899 -5.482 1.00 0.00 C ATOM 678 C TYR A 46 -2.653 -8.368 -5.343 1.00 0.00 C ATOM 679 O TYR A 46 -2.583 -9.100 -6.323 1.00 0.00 O ATOM 680 CB TYR A 46 -3.323 -6.027 -6.085 1.00 0.00 C ATOM 681 CG TYR A 46 -4.619 -6.052 -5.295 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.700 -5.417 -4.040 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.760 -6.669 -5.845 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.916 -5.405 -3.329 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.982 -6.654 -5.146 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.061 -6.025 -3.883 1.00 0.00 C ATOM 687 OH TYR A 46 -8.241 -6.012 -3.208 1.00 0.00 O ATOM 0 H TYR A 46 -1.004 -7.374 -7.123 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.986 -6.546 -4.475 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.970 -4.998 -6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.523 -6.363 -7.103 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.827 -4.938 -3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.697 -7.156 -6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.974 -4.924 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.856 -7.122 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.797 -6.762 -3.507 1.00 0.00 H new ATOM 697 N ASP A 47 -3.104 -8.756 -4.151 1.00 0.00 N ATOM 698 CA ASP A 47 -3.690 -10.060 -3.816 1.00 0.00 C ATOM 699 C ASP A 47 -5.048 -9.850 -3.107 1.00 0.00 C ATOM 700 O ASP A 47 -5.056 -9.314 -2.006 1.00 0.00 O ATOM 701 CB ASP A 47 -2.691 -10.871 -2.957 1.00 0.00 C ATOM 702 CG ASP A 47 -1.467 -11.390 -3.725 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.676 -12.063 -4.757 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.326 -11.085 -3.298 1.00 0.00 O ATOM 0 H ASP A 47 -3.070 -8.134 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.882 -10.636 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.349 -10.245 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.215 -11.720 -2.517 1.00 0.00 H new ATOM 709 N ASP A 48 -6.142 -10.259 -3.749 1.00 0.00 N ATOM 710 CA ASP A 48 -7.528 -9.880 -3.446 1.00 0.00 C ATOM 711 C ASP A 48 -8.048 -10.721 -2.257 1.00 0.00 C ATOM 712 O ASP A 48 -9.252 -10.769 -2.029 1.00 0.00 O ATOM 713 CB ASP A 48 -8.397 -10.048 -4.713 1.00 0.00 C ATOM 714 CG ASP A 48 -9.856 -9.590 -4.549 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.768 -10.415 -4.794 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.053 -8.404 -4.209 1.00 0.00 O ATOM 0 H ASP A 48 -6.085 -10.900 -4.540 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.580 -8.832 -3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.942 -9.485 -5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.389 -11.098 -5.007 1.00 0.00 H new ATOM 721 N ALA A 49 -7.144 -11.377 -1.529 1.00 0.00 N ATOM 722 CA ALA A 49 -7.452 -12.328 -0.459 1.00 0.00 C ATOM 723 C ALA A 49 -7.665 -11.591 0.876 1.00 0.00 C ATOM 724 O ALA A 49 -8.685 -11.797 1.531 1.00 0.00 O ATOM 725 CB ALA A 49 -6.319 -13.364 -0.367 1.00 0.00 C ATOM 0 H ALA A 49 -6.141 -11.257 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.382 -12.851 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.541 -14.076 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.233 -13.894 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.379 -12.857 -0.148 1.00 0.00 H new ATOM 731 N THR A 50 -6.711 -10.735 1.256 1.00 0.00 N ATOM 732 CA THR A 50 -6.833 -9.735 2.328 1.00 0.00 C ATOM 733 C THR A 50 -6.702 -8.330 1.744 1.00 0.00 C ATOM 734 O THR A 50 -6.482 -7.365 2.466 1.00 0.00 O ATOM 735 CB THR A 50 -5.783 -9.967 3.427 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.076 -9.163 4.546 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.363 -9.638 2.967 1.00 0.00 C ATOM 0 H THR A 50 -5.795 -10.717 0.809 1.00 0.00 H new ATOM 0 HA THR A 50 -7.817 -9.838 2.786 1.00 0.00 H new ATOM 0 HB THR A 50 -5.826 -11.027 3.677 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.334 -8.266 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.665 -9.821 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.101 -10.268 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.310 -8.590 2.672 1.00 0.00 H new ATOM 745 N LYS A 51 -6.818 -8.220 0.416 1.00 0.00 N ATOM 746 CA LYS A 51 -6.606 -6.948 -0.303 1.00 0.00 C ATOM 747 C LYS A 51 -5.255 -6.267 0.029 1.00 0.00 C ATOM 748 O LYS A 51 -5.242 -5.082 0.349 1.00 0.00 O ATOM 749 CB LYS A 51 -7.834 -6.038 -0.077 1.00 0.00 C ATOM 750 CG LYS A 51 -9.159 -6.783 -0.313 1.00 0.00 C ATOM 751 CD LYS A 51 -10.313 -5.801 -0.552 1.00 0.00 C ATOM 752 CE LYS A 51 -11.629 -6.581 -0.669 1.00 0.00 C ATOM 753 NZ LYS A 51 -11.836 -7.114 -2.039 1.00 0.00 N ATOM 0 H LYS A 51 -7.060 -9.002 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.523 -7.158 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.814 -5.649 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.777 -5.180 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.058 -7.446 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.385 -7.411 0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.373 -5.086 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.135 -5.228 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.628 -7.405 0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.462 -5.930 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.499 -7.915 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.228 -6.367 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.926 -7.435 -2.428 1.00 0.00 H new ATOM 767 N THR A 52 -4.157 -7.027 -0.017 1.00 0.00 N ATOM 768 CA THR A 52 -2.778 -6.556 0.184 1.00 0.00 C ATOM 769 C THR A 52 -2.270 -5.872 -1.085 1.00 0.00 C ATOM 770 O THR A 52 -2.490 -6.368 -2.184 1.00 0.00 O ATOM 771 CB THR A 52 -1.847 -7.713 0.586 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.017 -8.012 1.950 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.371 -7.392 0.352 1.00 0.00 C ATOM 0 H THR A 52 -4.203 -8.029 -0.203 1.00 0.00 H new ATOM 0 HA THR A 52 -2.778 -5.833 1.000 1.00 0.00 H new ATOM 0 HB THR A 52 -2.118 -8.561 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.423 -8.750 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.239 -8.244 0.653 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.207 -7.184 -0.705 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.091 -6.519 0.941 1.00 0.00 H new ATOM 781 N PHE A 53 -1.605 -4.728 -0.922 1.00 0.00 N ATOM 782 CA PHE A 53 -0.733 -4.120 -1.930 1.00 0.00 C ATOM 783 C PHE A 53 0.748 -4.378 -1.602 1.00 0.00 C ATOM 784 O PHE A 53 1.271 -3.795 -0.655 1.00 0.00 O ATOM 785 CB PHE A 53 -1.045 -2.615 -2.038 1.00 0.00 C ATOM 786 CG PHE A 53 -2.357 -2.302 -2.733 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.422 -2.229 -4.137 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.526 -2.122 -1.968 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.650 -1.981 -4.774 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.753 -1.872 -2.607 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.815 -1.804 -4.009 1.00 0.00 C ATOM 0 H PHE A 53 -1.659 -4.183 -0.062 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.925 -4.580 -2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.066 -2.187 -1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.235 -2.125 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.527 -2.364 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.480 -2.176 -0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.698 -1.926 -5.852 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.649 -1.732 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.759 -1.616 -4.499 1.00 0.00 H new ATOM 801 N THR A 54 1.406 -5.236 -2.387 1.00 0.00 N ATOM 802 CA THR A 54 2.836 -5.567 -2.289 1.00 0.00 C ATOM 803 C THR A 54 3.658 -4.569 -3.103 1.00 0.00 C ATOM 804 O THR A 54 3.355 -4.327 -4.262 1.00 0.00 O ATOM 805 CB THR A 54 3.108 -7.006 -2.761 1.00 0.00 C ATOM 806 OG1 THR A 54 2.397 -7.915 -1.955 1.00 0.00 O ATOM 807 CG2 THR A 54 4.589 -7.376 -2.700 1.00 0.00 C ATOM 0 H THR A 54 0.940 -5.742 -3.140 1.00 0.00 H new ATOM 0 HA THR A 54 3.133 -5.501 -1.242 1.00 0.00 H new ATOM 0 HB THR A 54 2.783 -7.059 -3.800 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.572 -8.830 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.722 -8.402 -3.044 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.159 -6.702 -3.339 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.944 -7.289 -1.673 1.00 0.00 H new ATOM 815 N VAL A 55 4.682 -3.989 -2.479 1.00 0.00 N ATOM 816 CA VAL A 55 5.626 -3.031 -3.076 1.00 0.00 C ATOM 817 C VAL A 55 7.053 -3.573 -2.927 1.00 0.00 C ATOM 818 O VAL A 55 7.491 -3.820 -1.806 1.00 0.00 O ATOM 819 CB VAL A 55 5.464 -1.612 -2.463 1.00 0.00 C ATOM 820 CG1 VAL A 55 6.641 -0.675 -2.793 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.143 -0.946 -2.883 1.00 0.00 C ATOM 0 H VAL A 55 4.890 -4.179 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 55 5.407 -2.923 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 55 5.452 -1.769 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.469 0.300 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.565 -1.100 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.723 -0.561 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.074 0.043 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.112 -0.851 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.305 -1.557 -2.548 1.00 0.00 H new ATOM 831 N THR A 56 7.750 -3.784 -4.047 1.00 0.00 N ATOM 832 CA THR A 56 9.193 -4.059 -4.123 1.00 0.00 C ATOM 833 C THR A 56 9.899 -2.932 -4.875 1.00 0.00 C ATOM 834 O THR A 56 9.558 -2.700 -6.030 1.00 0.00 O ATOM 835 CB THR A 56 9.467 -5.415 -4.795 1.00 0.00 C ATOM 836 OG1 THR A 56 8.895 -6.451 -4.033 1.00 0.00 O ATOM 837 CG2 THR A 56 10.959 -5.706 -4.946 1.00 0.00 C ATOM 0 H THR A 56 7.308 -3.768 -4.966 1.00 0.00 H new ATOM 0 HA THR A 56 9.587 -4.109 -3.108 1.00 0.00 H new ATOM 0 HB THR A 56 9.024 -5.364 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.071 -7.312 -4.467 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.094 -6.675 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.421 -4.931 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.428 -5.720 -3.962 1.00 0.00 H new ATOM 845 N GLU A 57 10.839 -2.264 -4.205 1.00 0.00 N ATOM 846 CA GLU A 57 11.796 -1.266 -4.712 1.00 0.00 C ATOM 847 C GLU A 57 12.819 -1.979 -5.622 1.00 0.00 C ATOM 848 O GLU A 57 13.089 -1.426 -6.718 1.00 0.00 O ATOM 849 CB GLU A 57 12.448 -0.539 -3.512 1.00 0.00 C ATOM 850 CG GLU A 57 13.400 0.610 -3.893 1.00 0.00 C ATOM 851 CD GLU A 57 14.115 1.217 -2.663 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.115 2.467 -2.534 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.685 0.446 -1.854 1.00 0.00 O ATOM 0 H GLU A 57 10.965 -2.418 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 57 11.302 -0.504 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.659 -0.142 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.000 -1.269 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.145 0.242 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.836 1.391 -4.404 1.00 0.00 H new TER 860 GLU A 57