USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 440 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 8 THR OG1 : rot -88:sc= 0.912 USER MOD Set 1.2: A 49 THR OG1 : rot -130:sc= 0.666 USER MOD Set 1.3: A 51 LYS NZ :NH3+ 138:sc= 2.01 (180deg=-0.152) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.106 (180deg=-0.495) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0886 (180deg=-0.0243) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 64:sc= -0.932 USER MOD Single : A 10 ASN : amide:sc= 0.916 K(o=0.92,f=-6.9!) USER MOD Single : A 16 GLN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -105:sc= 0.587 (180deg=-0.434) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -74:sc= 1.33 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= -0.573 (180deg=-4.45!) USER MOD Single : A 34 GLN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 43 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.3) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0137) USER MOD Single : A 46 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.130 9.224 -1.011 1.00 13.43 N ATOM 2 CA MET A 1 -14.324 8.940 -2.229 1.00 54.42 C ATOM 3 C MET A 1 -13.601 7.590 -2.122 1.00 14.13 C ATOM 4 O MET A 1 -13.543 6.986 -1.047 1.00 41.22 O ATOM 5 CB MET A 1 -13.303 10.064 -2.466 1.00 62.32 C ATOM 6 CG MET A 1 -12.260 10.197 -1.364 1.00 31.15 C ATOM 7 SD MET A 1 -11.042 11.479 -1.711 1.00 11.44 S ATOM 8 CE MET A 1 -12.073 12.946 -1.724 1.00 74.05 C ATOM 0 H1 MET A 1 -14.924 10.186 -0.675 1.00 13.43 H new ATOM 0 H2 MET A 1 -16.142 9.146 -1.238 1.00 13.43 H new ATOM 0 H3 MET A 1 -14.889 8.538 -0.267 1.00 13.43 H new ATOM 0 HA MET A 1 -15.009 8.891 -3.076 1.00 54.42 H new ATOM 0 HB2 MET A 1 -12.795 9.885 -3.413 1.00 62.32 H new ATOM 0 HB3 MET A 1 -13.836 11.010 -2.564 1.00 62.32 H new ATOM 0 HG2 MET A 1 -12.760 10.422 -0.422 1.00 31.15 H new ATOM 0 HG3 MET A 1 -11.750 9.242 -1.235 1.00 31.15 H new ATOM 0 HE1 MET A 1 -11.448 13.831 -1.606 1.00 74.05 H new ATOM 0 HE2 MET A 1 -12.610 13.005 -2.671 1.00 74.05 H new ATOM 0 HE3 MET A 1 -12.789 12.895 -0.903 1.00 74.05 H new ATOM 20 N ALA A 2 -13.055 7.127 -3.242 1.00 73.51 N ATOM 21 CA ALA A 2 -12.280 5.881 -3.284 1.00 75.31 C ATOM 22 C ALA A 2 -11.410 5.830 -4.548 1.00 72.25 C ATOM 23 O ALA A 2 -11.830 5.314 -5.584 1.00 12.52 O ATOM 24 CB ALA A 2 -13.201 4.666 -3.216 1.00 70.32 C ATOM 0 H ALA A 2 -13.133 7.598 -4.143 1.00 73.51 H new ATOM 0 HA ALA A 2 -11.625 5.858 -2.413 1.00 75.31 H new ATOM 0 HB1 ALA A 2 -12.604 3.755 -3.249 1.00 70.32 H new ATOM 0 HB2 ALA A 2 -13.771 4.693 -2.287 1.00 70.32 H new ATOM 0 HB3 ALA A 2 -13.887 4.681 -4.063 1.00 70.32 H new ATOM 30 N SER A 3 -10.212 6.400 -4.466 1.00 75.10 N ATOM 31 CA SER A 3 -9.310 6.479 -5.623 1.00 40.21 C ATOM 32 C SER A 3 -8.465 5.201 -5.763 1.00 64.31 C ATOM 33 O SER A 3 -7.620 4.915 -4.911 1.00 14.04 O ATOM 34 CB SER A 3 -8.386 7.701 -5.494 1.00 14.20 C ATOM 35 OG SER A 3 -9.132 8.896 -5.316 1.00 34.02 O ATOM 0 H SER A 3 -9.838 6.816 -3.613 1.00 75.10 H new ATOM 0 HA SER A 3 -9.925 6.582 -6.517 1.00 40.21 H new ATOM 0 HB2 SER A 3 -7.711 7.562 -4.649 1.00 14.20 H new ATOM 0 HB3 SER A 3 -7.766 7.786 -6.386 1.00 14.20 H new ATOM 0 HG SER A 3 -8.518 9.656 -5.235 1.00 34.02 H new ATOM 41 N PRO A 4 -8.666 4.422 -6.850 1.00 11.22 N ATOM 42 CA PRO A 4 -7.948 3.151 -7.062 1.00 15.34 C ATOM 43 C PRO A 4 -6.429 3.351 -7.196 1.00 30.54 C ATOM 44 O PRO A 4 -5.955 4.047 -8.099 1.00 75.24 O ATOM 45 CB PRO A 4 -8.554 2.607 -8.367 1.00 4.45 C ATOM 46 CG PRO A 4 -9.119 3.803 -9.056 1.00 42.31 C ATOM 47 CD PRO A 4 -9.587 4.725 -7.962 1.00 13.14 C ATOM 0 HA PRO A 4 -8.062 2.471 -6.218 1.00 15.34 H new ATOM 0 HB2 PRO A 4 -7.797 2.119 -8.981 1.00 4.45 H new ATOM 0 HB3 PRO A 4 -9.327 1.866 -8.165 1.00 4.45 H new ATOM 0 HG2 PRO A 4 -8.367 4.286 -9.679 1.00 42.31 H new ATOM 0 HG3 PRO A 4 -9.944 3.523 -9.711 1.00 42.31 H new ATOM 0 HD2 PRO A 4 -9.525 5.771 -8.263 1.00 13.14 H new ATOM 0 HD3 PRO A 4 -10.625 4.533 -7.689 1.00 13.14 H new ATOM 55 N THR A 5 -5.670 2.732 -6.299 1.00 41.21 N ATOM 56 CA THR A 5 -4.216 2.935 -6.239 1.00 74.43 C ATOM 57 C THR A 5 -3.460 1.595 -6.235 1.00 61.31 C ATOM 58 O THR A 5 -3.956 0.598 -5.716 1.00 71.32 O ATOM 59 CB THR A 5 -3.828 3.745 -4.975 1.00 54.50 C ATOM 60 OG1 THR A 5 -4.594 4.960 -4.915 1.00 73.31 O ATOM 61 CG2 THR A 5 -2.342 4.090 -4.965 1.00 43.44 C ATOM 0 H THR A 5 -6.032 2.083 -5.600 1.00 41.21 H new ATOM 0 HA THR A 5 -3.931 3.494 -7.131 1.00 74.43 H new ATOM 0 HB THR A 5 -4.044 3.123 -4.106 1.00 54.50 H new ATOM 0 HG1 THR A 5 -5.544 4.743 -4.813 1.00 73.31 H new ATOM 0 HG21 THR A 5 -2.106 4.658 -4.065 1.00 43.44 H new ATOM 0 HG22 THR A 5 -1.755 3.172 -4.979 1.00 43.44 H new ATOM 0 HG23 THR A 5 -2.101 4.688 -5.844 1.00 43.44 H new ATOM 69 N VAL A 6 -2.266 1.575 -6.822 1.00 2.33 N ATOM 70 CA VAL A 6 -1.425 0.371 -6.835 1.00 23.41 C ATOM 71 C VAL A 6 -0.055 0.638 -6.179 1.00 64.53 C ATOM 72 O VAL A 6 0.662 1.571 -6.547 1.00 11.23 O ATOM 73 CB VAL A 6 -1.231 -0.176 -8.278 1.00 50.40 C ATOM 74 CG1 VAL A 6 -0.622 0.883 -9.194 1.00 14.21 C ATOM 75 CG2 VAL A 6 -0.383 -1.447 -8.271 1.00 72.55 C ATOM 0 H VAL A 6 -1.854 2.378 -7.297 1.00 2.33 H new ATOM 0 HA VAL A 6 -1.946 -0.388 -6.251 1.00 23.41 H new ATOM 0 HB VAL A 6 -2.215 -0.429 -8.673 1.00 50.40 H new ATOM 0 HG11 VAL A 6 -0.499 0.471 -10.195 1.00 14.21 H new ATOM 0 HG12 VAL A 6 -1.282 1.750 -9.237 1.00 14.21 H new ATOM 0 HG13 VAL A 6 0.350 1.186 -8.804 1.00 14.21 H new ATOM 0 HG21 VAL A 6 -0.262 -1.809 -9.292 1.00 72.55 H new ATOM 0 HG22 VAL A 6 0.596 -1.229 -7.845 1.00 72.55 H new ATOM 0 HG23 VAL A 6 -0.877 -2.211 -7.671 1.00 72.55 H new ATOM 85 N ILE A 7 0.290 -0.181 -5.188 1.00 41.35 N ATOM 86 CA ILE A 7 1.546 -0.021 -4.451 1.00 33.34 C ATOM 87 C ILE A 7 2.625 -0.981 -4.969 1.00 63.51 C ATOM 88 O ILE A 7 2.480 -2.203 -4.885 1.00 55.24 O ATOM 89 CB ILE A 7 1.336 -0.260 -2.935 1.00 31.24 C ATOM 90 CG1 ILE A 7 0.251 0.688 -2.392 1.00 60.22 C ATOM 91 CG2 ILE A 7 2.651 -0.077 -2.175 1.00 31.45 C ATOM 92 CD1 ILE A 7 -0.066 0.475 -0.926 1.00 44.44 C ATOM 0 H ILE A 7 -0.283 -0.965 -4.875 1.00 41.35 H new ATOM 0 HA ILE A 7 1.880 1.004 -4.610 1.00 33.34 H new ATOM 0 HB ILE A 7 1.001 -1.286 -2.786 1.00 31.24 H new ATOM 0 HG12 ILE A 7 0.575 1.718 -2.539 1.00 60.22 H new ATOM 0 HG13 ILE A 7 -0.660 0.554 -2.975 1.00 60.22 H new ATOM 0 HG21 ILE A 7 2.484 -0.249 -1.112 1.00 31.45 H new ATOM 0 HG22 ILE A 7 3.388 -0.789 -2.546 1.00 31.45 H new ATOM 0 HG23 ILE A 7 3.020 0.938 -2.325 1.00 31.45 H new ATOM 0 HD11 ILE A 7 -0.838 1.178 -0.615 1.00 44.44 H new ATOM 0 HD12 ILE A 7 -0.421 -0.544 -0.775 1.00 44.44 H new ATOM 0 HD13 ILE A 7 0.833 0.638 -0.332 1.00 44.44 H new ATOM 104 N THR A 8 3.699 -0.420 -5.518 1.00 12.20 N ATOM 105 CA THR A 8 4.836 -1.221 -5.986 1.00 41.34 C ATOM 106 C THR A 8 5.818 -1.491 -4.840 1.00 65.44 C ATOM 107 O THR A 8 6.448 -0.563 -4.328 1.00 34.41 O ATOM 108 CB THR A 8 5.613 -0.508 -7.125 1.00 20.52 C ATOM 109 OG1 THR A 8 4.719 -0.092 -8.171 1.00 11.43 O ATOM 110 CG2 THR A 8 6.689 -1.420 -7.712 1.00 12.15 C ATOM 0 H THR A 8 3.810 0.585 -5.651 1.00 12.20 H new ATOM 0 HA THR A 8 4.422 -2.157 -6.362 1.00 41.34 H new ATOM 0 HB THR A 8 6.092 0.370 -6.692 1.00 20.52 H new ATOM 0 HG1 THR A 8 4.607 -0.822 -8.815 1.00 11.43 H new ATOM 0 HG21 THR A 8 7.217 -0.894 -8.508 1.00 12.15 H new ATOM 0 HG22 THR A 8 7.395 -1.699 -6.930 1.00 12.15 H new ATOM 0 HG23 THR A 8 6.223 -2.318 -8.118 1.00 12.15 H new ATOM 118 N LEU A 9 5.950 -2.751 -4.431 1.00 65.40 N ATOM 119 CA LEU A 9 6.901 -3.113 -3.372 1.00 12.32 C ATOM 120 C LEU A 9 8.340 -3.187 -3.907 1.00 14.33 C ATOM 121 O LEU A 9 8.567 -3.228 -5.118 1.00 14.45 O ATOM 122 CB LEU A 9 6.515 -4.449 -2.721 1.00 72.34 C ATOM 123 CG LEU A 9 5.107 -4.501 -2.102 1.00 34.42 C ATOM 124 CD1 LEU A 9 4.881 -5.832 -1.384 1.00 42.22 C ATOM 125 CD2 LEU A 9 4.891 -3.323 -1.152 1.00 41.54 C ATOM 0 H LEU A 9 5.418 -3.535 -4.810 1.00 65.40 H new ATOM 0 HA LEU A 9 6.857 -2.327 -2.618 1.00 12.32 H new ATOM 0 HB2 LEU A 9 6.592 -5.235 -3.472 1.00 72.34 H new ATOM 0 HB3 LEU A 9 7.244 -4.678 -1.943 1.00 72.34 H new ATOM 0 HG LEU A 9 4.376 -4.424 -2.907 1.00 34.42 H new ATOM 0 HD11 LEU A 9 3.880 -5.848 -0.954 1.00 42.22 H new ATOM 0 HD12 LEU A 9 4.983 -6.651 -2.096 1.00 42.22 H new ATOM 0 HD13 LEU A 9 5.619 -5.947 -0.590 1.00 42.22 H new ATOM 0 HD21 LEU A 9 3.890 -3.379 -0.725 1.00 41.54 H new ATOM 0 HD22 LEU A 9 5.629 -3.361 -0.351 1.00 41.54 H new ATOM 0 HD23 LEU A 9 5.000 -2.388 -1.701 1.00 41.54 H new ATOM 137 N ASN A 10 9.305 -3.222 -2.991 1.00 25.41 N ATOM 138 CA ASN A 10 10.728 -3.194 -3.349 1.00 31.45 C ATOM 139 C ASN A 10 11.122 -4.434 -4.168 1.00 70.34 C ATOM 140 O ASN A 10 11.976 -4.361 -5.050 1.00 41.13 O ATOM 141 CB ASN A 10 11.587 -3.091 -2.082 1.00 75.10 C ATOM 142 CG ASN A 10 13.052 -2.824 -2.389 1.00 2.51 C ATOM 143 OD1 ASN A 10 13.386 -2.186 -3.383 1.00 14.43 O ATOM 144 ND2 ASN A 10 13.934 -3.298 -1.533 1.00 63.24 N ATOM 0 H ASN A 10 9.129 -3.270 -1.987 1.00 25.41 H new ATOM 0 HA ASN A 10 10.906 -2.316 -3.970 1.00 31.45 H new ATOM 0 HB2 ASN A 10 11.201 -2.292 -1.450 1.00 75.10 H new ATOM 0 HB3 ASN A 10 11.502 -4.017 -1.513 1.00 75.10 H new ATOM 0 HD21 ASN A 10 14.930 -3.139 -1.686 1.00 63.24 H new ATOM 0 HD22 ASN A 10 13.621 -3.824 -0.717 1.00 63.24 H new ATOM 151 N ASP A 11 10.480 -5.565 -3.878 1.00 72.33 N ATOM 152 CA ASP A 11 10.713 -6.809 -4.622 1.00 42.11 C ATOM 153 C ASP A 11 9.973 -6.816 -5.976 1.00 21.01 C ATOM 154 O ASP A 11 9.924 -7.837 -6.661 1.00 24.32 O ATOM 155 CB ASP A 11 10.275 -8.011 -3.775 1.00 11.20 C ATOM 156 CG ASP A 11 11.093 -8.144 -2.502 1.00 24.52 C ATOM 157 OD1 ASP A 11 10.874 -7.354 -1.565 1.00 1.24 O ATOM 158 OD2 ASP A 11 11.961 -9.043 -2.432 1.00 62.21 O ATOM 0 H ASP A 11 9.791 -5.649 -3.130 1.00 72.33 H new ATOM 0 HA ASP A 11 11.780 -6.878 -4.832 1.00 42.11 H new ATOM 0 HB2 ASP A 11 9.221 -7.908 -3.518 1.00 11.20 H new ATOM 0 HB3 ASP A 11 10.372 -8.923 -4.364 1.00 11.20 H new ATOM 163 N GLY A 12 9.385 -5.677 -6.350 1.00 23.31 N ATOM 164 CA GLY A 12 8.726 -5.555 -7.650 1.00 33.34 C ATOM 165 C GLY A 12 7.252 -5.959 -7.637 1.00 15.21 C ATOM 166 O GLY A 12 6.523 -5.690 -8.596 1.00 70.35 O ATOM 0 H GLY A 12 9.352 -4.834 -5.776 1.00 23.31 H new ATOM 0 HA2 GLY A 12 8.807 -4.523 -7.992 1.00 33.34 H new ATOM 0 HA3 GLY A 12 9.256 -6.173 -8.375 1.00 33.34 H new ATOM 170 N ARG A 13 6.807 -6.611 -6.563 1.00 65.12 N ATOM 171 CA ARG A 13 5.409 -7.051 -6.441 1.00 50.33 C ATOM 172 C ARG A 13 4.458 -5.856 -6.252 1.00 34.30 C ATOM 173 O ARG A 13 4.593 -5.092 -5.299 1.00 74.51 O ATOM 174 CB ARG A 13 5.264 -8.030 -5.264 1.00 40.42 C ATOM 175 CG ARG A 13 3.854 -8.595 -5.102 1.00 62.04 C ATOM 176 CD ARG A 13 3.746 -9.533 -3.903 1.00 4.45 C ATOM 177 NE ARG A 13 2.399 -10.083 -3.759 1.00 43.31 N ATOM 178 CZ ARG A 13 1.831 -10.354 -2.609 1.00 42.04 C ATOM 179 NH1 ARG A 13 2.466 -10.175 -1.491 1.00 75.31 N ATOM 180 NH2 ARG A 13 0.630 -10.824 -2.580 1.00 42.42 N ATOM 0 H ARG A 13 7.392 -6.848 -5.762 1.00 65.12 H new ATOM 0 HA ARG A 13 5.135 -7.556 -7.367 1.00 50.33 H new ATOM 0 HB2 ARG A 13 5.962 -8.855 -5.402 1.00 40.42 H new ATOM 0 HB3 ARG A 13 5.550 -7.521 -4.343 1.00 40.42 H new ATOM 0 HG2 ARG A 13 3.146 -7.774 -4.985 1.00 62.04 H new ATOM 0 HG3 ARG A 13 3.573 -9.132 -6.008 1.00 62.04 H new ATOM 0 HD2 ARG A 13 4.461 -10.348 -4.015 1.00 4.45 H new ATOM 0 HD3 ARG A 13 4.017 -8.994 -2.995 1.00 4.45 H new ATOM 0 HE ARG A 13 1.866 -10.268 -4.609 1.00 43.31 H new ATOM 0 HH11 ARG A 13 3.422 -9.818 -1.499 1.00 75.31 H new ATOM 0 HH12 ARG A 13 2.009 -10.391 -0.605 1.00 75.31 H new ATOM 0 HH21 ARG A 13 0.124 -10.984 -3.451 1.00 42.42 H new ATOM 0 HH22 ARG A 13 0.187 -11.035 -1.686 1.00 42.42 H new ATOM 194 N GLU A 14 3.496 -5.699 -7.161 1.00 31.13 N ATOM 195 CA GLU A 14 2.530 -4.594 -7.077 1.00 53.34 C ATOM 196 C GLU A 14 1.170 -5.081 -6.553 1.00 74.12 C ATOM 197 O GLU A 14 0.619 -6.070 -7.045 1.00 41.34 O ATOM 198 CB GLU A 14 2.350 -3.931 -8.455 1.00 43.44 C ATOM 199 CG GLU A 14 3.646 -3.401 -9.064 1.00 23.11 C ATOM 200 CD GLU A 14 3.417 -2.603 -10.342 1.00 1.23 C ATOM 201 OE1 GLU A 14 3.217 -3.221 -11.409 1.00 4.44 O ATOM 202 OE2 GLU A 14 3.450 -1.357 -10.285 1.00 0.32 O ATOM 0 H GLU A 14 3.362 -6.317 -7.961 1.00 31.13 H new ATOM 0 HA GLU A 14 2.926 -3.861 -6.375 1.00 53.34 H new ATOM 0 HB2 GLU A 14 1.908 -4.655 -9.140 1.00 43.44 H new ATOM 0 HB3 GLU A 14 1.642 -3.108 -8.361 1.00 43.44 H new ATOM 0 HG2 GLU A 14 4.154 -2.771 -8.334 1.00 23.11 H new ATOM 0 HG3 GLU A 14 4.310 -4.238 -9.278 1.00 23.11 H new ATOM 209 N ILE A 15 0.633 -4.382 -5.554 1.00 73.33 N ATOM 210 CA ILE A 15 -0.669 -4.723 -4.968 1.00 41.14 C ATOM 211 C ILE A 15 -1.698 -3.608 -5.225 1.00 24.51 C ATOM 212 O ILE A 15 -1.419 -2.431 -4.996 1.00 42.21 O ATOM 213 CB ILE A 15 -0.550 -4.974 -3.442 1.00 53.22 C ATOM 214 CG1 ILE A 15 0.471 -6.093 -3.160 1.00 64.03 C ATOM 215 CG2 ILE A 15 -1.916 -5.320 -2.841 1.00 25.24 C ATOM 216 CD1 ILE A 15 0.682 -6.378 -1.685 1.00 42.45 C ATOM 0 H ILE A 15 1.081 -3.570 -5.129 1.00 73.33 H new ATOM 0 HA ILE A 15 -1.009 -5.640 -5.450 1.00 41.14 H new ATOM 0 HB ILE A 15 -0.196 -4.058 -2.969 1.00 53.22 H new ATOM 0 HG12 ILE A 15 0.138 -7.007 -3.652 1.00 64.03 H new ATOM 0 HG13 ILE A 15 1.427 -5.820 -3.607 1.00 64.03 H new ATOM 0 HG21 ILE A 15 -1.809 -5.492 -1.770 1.00 25.24 H new ATOM 0 HG22 ILE A 15 -2.607 -4.494 -3.009 1.00 25.24 H new ATOM 0 HG23 ILE A 15 -2.305 -6.221 -3.316 1.00 25.24 H new ATOM 0 HD11 ILE A 15 1.414 -7.177 -1.570 1.00 42.45 H new ATOM 0 HD12 ILE A 15 1.046 -5.478 -1.189 1.00 42.45 H new ATOM 0 HD13 ILE A 15 -0.262 -6.684 -1.235 1.00 42.45 H new ATOM 228 N GLN A 16 -2.882 -3.984 -5.704 1.00 65.40 N ATOM 229 CA GLN A 16 -3.934 -3.015 -6.041 1.00 44.01 C ATOM 230 C GLN A 16 -4.937 -2.825 -4.888 1.00 42.51 C ATOM 231 O GLN A 16 -5.372 -3.789 -4.255 1.00 40.32 O ATOM 232 CB GLN A 16 -4.674 -3.461 -7.310 1.00 32.45 C ATOM 233 CG GLN A 16 -3.783 -3.550 -8.545 1.00 12.12 C ATOM 234 CD GLN A 16 -4.523 -4.067 -9.767 1.00 72.23 C ATOM 235 OE1 GLN A 16 -4.569 -5.267 -10.018 1.00 14.12 O ATOM 236 NE2 GLN A 16 -5.111 -3.168 -10.531 1.00 13.43 N ATOM 0 H GLN A 16 -3.142 -4.956 -5.870 1.00 65.40 H new ATOM 0 HA GLN A 16 -3.449 -2.055 -6.217 1.00 44.01 H new ATOM 0 HB2 GLN A 16 -5.128 -4.435 -7.131 1.00 32.45 H new ATOM 0 HB3 GLN A 16 -5.487 -2.762 -7.510 1.00 32.45 H new ATOM 0 HG2 GLN A 16 -3.373 -2.564 -8.764 1.00 12.12 H new ATOM 0 HG3 GLN A 16 -2.939 -4.206 -8.332 1.00 12.12 H new ATOM 0 HE21 GLN A 16 -5.052 -2.178 -10.292 1.00 13.43 H new ATOM 0 HE22 GLN A 16 -5.625 -3.462 -11.361 1.00 13.43 H new ATOM 245 N ALA A 17 -5.302 -1.571 -4.639 1.00 2.41 N ATOM 246 CA ALA A 17 -6.253 -1.215 -3.580 1.00 70.23 C ATOM 247 C ALA A 17 -7.381 -0.318 -4.122 1.00 11.13 C ATOM 248 O ALA A 17 -7.181 0.446 -5.072 1.00 20.23 O ATOM 249 CB ALA A 17 -5.521 -0.514 -2.438 1.00 55.55 C ATOM 0 H ALA A 17 -4.949 -0.770 -5.163 1.00 2.41 H new ATOM 0 HA ALA A 17 -6.707 -2.133 -3.206 1.00 70.23 H new ATOM 0 HB1 ALA A 17 -6.233 -0.253 -1.655 1.00 55.55 H new ATOM 0 HB2 ALA A 17 -4.761 -1.180 -2.029 1.00 55.55 H new ATOM 0 HB3 ALA A 17 -5.045 0.392 -2.813 1.00 55.55 H new ATOM 255 N VAL A 18 -8.564 -0.406 -3.511 1.00 71.35 N ATOM 256 CA VAL A 18 -9.721 0.391 -3.945 1.00 61.54 C ATOM 257 C VAL A 18 -9.586 1.867 -3.530 1.00 30.20 C ATOM 258 O VAL A 18 -10.160 2.756 -4.159 1.00 41.23 O ATOM 259 CB VAL A 18 -11.049 -0.181 -3.382 1.00 12.43 C ATOM 260 CG1 VAL A 18 -11.295 -1.593 -3.912 1.00 31.30 C ATOM 261 CG2 VAL A 18 -11.049 -0.166 -1.853 1.00 41.30 C ATOM 0 H VAL A 18 -8.749 -1.018 -2.716 1.00 71.35 H new ATOM 0 HA VAL A 18 -9.743 0.334 -5.033 1.00 61.54 H new ATOM 0 HB VAL A 18 -11.863 0.458 -3.722 1.00 12.43 H new ATOM 0 HG11 VAL A 18 -12.231 -1.976 -3.506 1.00 31.30 H new ATOM 0 HG12 VAL A 18 -11.355 -1.568 -5.000 1.00 31.30 H new ATOM 0 HG13 VAL A 18 -10.475 -2.243 -3.609 1.00 31.30 H new ATOM 0 HG21 VAL A 18 -11.991 -0.572 -1.485 1.00 41.30 H new ATOM 0 HG22 VAL A 18 -10.223 -0.774 -1.483 1.00 41.30 H new ATOM 0 HG23 VAL A 18 -10.933 0.858 -1.499 1.00 41.30 H new ATOM 271 N ASP A 19 -8.820 2.112 -2.470 1.00 50.21 N ATOM 272 CA ASP A 19 -8.553 3.469 -1.987 1.00 52.31 C ATOM 273 C ASP A 19 -7.043 3.722 -1.841 1.00 63.33 C ATOM 274 O ASP A 19 -6.228 2.818 -2.031 1.00 45.22 O ATOM 275 CB ASP A 19 -9.283 3.724 -0.657 1.00 1.04 C ATOM 276 CG ASP A 19 -9.160 2.566 0.324 1.00 74.13 C ATOM 277 OD1 ASP A 19 -8.036 2.287 0.798 1.00 31.41 O ATOM 278 OD2 ASP A 19 -10.194 1.939 0.634 1.00 64.12 O ATOM 0 H ASP A 19 -8.367 1.381 -1.922 1.00 50.21 H new ATOM 0 HA ASP A 19 -8.936 4.171 -2.728 1.00 52.31 H new ATOM 0 HB2 ASP A 19 -8.881 4.627 -0.196 1.00 1.04 H new ATOM 0 HB3 ASP A 19 -10.338 3.911 -0.858 1.00 1.04 H new ATOM 283 N THR A 20 -6.674 4.960 -1.518 1.00 50.23 N ATOM 284 CA THR A 20 -5.259 5.344 -1.416 1.00 4.12 C ATOM 285 C THR A 20 -4.664 4.974 -0.046 1.00 21.34 C ATOM 286 O THR A 20 -5.352 5.024 0.977 1.00 4.41 O ATOM 287 CB THR A 20 -5.059 6.863 -1.652 1.00 3.13 C ATOM 288 OG1 THR A 20 -5.657 7.624 -0.590 1.00 3.31 O ATOM 289 CG2 THR A 20 -5.659 7.296 -2.985 1.00 11.40 C ATOM 0 H THR A 20 -7.330 5.716 -1.322 1.00 50.23 H new ATOM 0 HA THR A 20 -4.738 4.787 -2.195 1.00 4.12 H new ATOM 0 HB THR A 20 -3.986 7.053 -1.671 1.00 3.13 H new ATOM 0 HG1 THR A 20 -5.519 8.580 -0.755 1.00 3.31 H new ATOM 0 HG21 THR A 20 -5.504 8.366 -3.123 1.00 11.40 H new ATOM 0 HG22 THR A 20 -5.175 6.751 -3.796 1.00 11.40 H new ATOM 0 HG23 THR A 20 -6.728 7.081 -2.990 1.00 11.40 H new ATOM 297 N PRO A 21 -3.371 4.595 -0.005 1.00 53.53 N ATOM 298 CA PRO A 21 -2.702 4.199 1.249 1.00 63.43 C ATOM 299 C PRO A 21 -2.443 5.383 2.205 1.00 52.30 C ATOM 300 O PRO A 21 -1.919 6.426 1.804 1.00 51.32 O ATOM 301 CB PRO A 21 -1.378 3.596 0.761 1.00 21.25 C ATOM 302 CG PRO A 21 -1.110 4.279 -0.539 1.00 72.35 C ATOM 303 CD PRO A 21 -2.461 4.515 -1.167 1.00 44.14 C ATOM 0 HA PRO A 21 -3.317 3.515 1.833 1.00 63.43 H new ATOM 0 HB2 PRO A 21 -0.574 3.774 1.475 1.00 21.25 H new ATOM 0 HB3 PRO A 21 -1.457 2.516 0.633 1.00 21.25 H new ATOM 0 HG2 PRO A 21 -0.581 5.220 -0.385 1.00 72.35 H new ATOM 0 HG3 PRO A 21 -0.482 3.662 -1.182 1.00 72.35 H new ATOM 0 HD2 PRO A 21 -2.476 5.434 -1.753 1.00 44.14 H new ATOM 0 HD3 PRO A 21 -2.739 3.703 -1.839 1.00 44.14 H new ATOM 311 N LYS A 22 -2.821 5.213 3.471 1.00 13.45 N ATOM 312 CA LYS A 22 -2.554 6.216 4.507 1.00 52.33 C ATOM 313 C LYS A 22 -1.302 5.837 5.311 1.00 12.42 C ATOM 314 O LYS A 22 -1.235 4.753 5.893 1.00 71.41 O ATOM 315 CB LYS A 22 -3.767 6.347 5.441 1.00 5.35 C ATOM 316 CG LYS A 22 -3.609 7.410 6.528 1.00 11.13 C ATOM 317 CD LYS A 22 -4.880 7.565 7.365 1.00 65.43 C ATOM 318 CE LYS A 22 -5.210 6.300 8.156 1.00 14.21 C ATOM 319 NZ LYS A 22 -4.214 6.034 9.225 1.00 42.33 N ATOM 0 H LYS A 22 -3.316 4.387 3.807 1.00 13.45 H new ATOM 0 HA LYS A 22 -2.377 7.177 4.024 1.00 52.33 H new ATOM 0 HB2 LYS A 22 -4.648 6.583 4.843 1.00 5.35 H new ATOM 0 HB3 LYS A 22 -3.952 5.383 5.915 1.00 5.35 H new ATOM 0 HG2 LYS A 22 -2.776 7.143 7.179 1.00 11.13 H new ATOM 0 HG3 LYS A 22 -3.359 8.366 6.067 1.00 11.13 H new ATOM 0 HD2 LYS A 22 -4.759 8.401 8.054 1.00 65.43 H new ATOM 0 HD3 LYS A 22 -5.716 7.810 6.710 1.00 65.43 H new ATOM 0 HE2 LYS A 22 -6.200 6.399 8.600 1.00 14.21 H new ATOM 0 HE3 LYS A 22 -5.249 5.448 7.477 1.00 14.21 H new ATOM 0 HZ1 LYS A 22 -3.595 5.250 8.936 1.00 42.33 H new ATOM 0 HZ2 LYS A 22 -3.641 6.887 9.385 1.00 42.33 H new ATOM 0 HZ3 LYS A 22 -4.708 5.779 10.104 1.00 42.33 H new ATOM 333 N TYR A 23 -0.315 6.725 5.340 1.00 3.20 N ATOM 334 CA TYR A 23 0.940 6.461 6.052 1.00 3.45 C ATOM 335 C TYR A 23 0.805 6.755 7.552 1.00 60.43 C ATOM 336 O TYR A 23 0.314 7.813 7.950 1.00 14.13 O ATOM 337 CB TYR A 23 2.078 7.307 5.457 1.00 62.21 C ATOM 338 CG TYR A 23 3.400 7.185 6.204 1.00 60.04 C ATOM 339 CD1 TYR A 23 4.135 6.003 6.170 1.00 22.24 C ATOM 340 CD2 TYR A 23 3.911 8.251 6.944 1.00 42.11 C ATOM 341 CE1 TYR A 23 5.337 5.888 6.844 1.00 71.24 C ATOM 342 CE2 TYR A 23 5.112 8.142 7.621 1.00 63.32 C ATOM 343 CZ TYR A 23 5.820 6.959 7.569 1.00 33.34 C ATOM 344 OH TYR A 23 7.021 6.845 8.240 1.00 30.34 O ATOM 0 H TYR A 23 -0.355 7.635 4.881 1.00 3.20 H new ATOM 0 HA TYR A 23 1.174 5.403 5.931 1.00 3.45 H new ATOM 0 HB2 TYR A 23 2.231 7.012 4.419 1.00 62.21 H new ATOM 0 HB3 TYR A 23 1.773 8.353 5.449 1.00 62.21 H new ATOM 0 HD1 TYR A 23 3.760 5.161 5.607 1.00 22.24 H new ATOM 0 HD2 TYR A 23 3.359 9.178 6.989 1.00 42.11 H new ATOM 0 HE1 TYR A 23 5.895 4.964 6.803 1.00 71.24 H new ATOM 0 HE2 TYR A 23 5.494 8.979 8.187 1.00 63.32 H new ATOM 0 HH TYR A 23 7.220 7.687 8.700 1.00 30.34 H new ATOM 354 N ASP A 24 1.229 5.806 8.381 1.00 40.34 N ATOM 355 CA ASP A 24 1.250 6.000 9.827 1.00 33.42 C ATOM 356 C ASP A 24 2.683 6.248 10.317 1.00 3.23 C ATOM 357 O ASP A 24 3.514 5.343 10.318 1.00 41.02 O ATOM 358 CB ASP A 24 0.646 4.785 10.533 1.00 73.32 C ATOM 359 CG ASP A 24 0.476 5.027 12.017 1.00 31.32 C ATOM 360 OD1 ASP A 24 -0.364 5.874 12.387 1.00 61.42 O ATOM 361 OD2 ASP A 24 1.171 4.375 12.820 1.00 10.24 O ATOM 0 H ASP A 24 1.564 4.892 8.075 1.00 40.34 H new ATOM 0 HA ASP A 24 0.649 6.877 10.068 1.00 33.42 H new ATOM 0 HB2 ASP A 24 -0.322 4.550 10.089 1.00 73.32 H new ATOM 0 HB3 ASP A 24 1.287 3.917 10.377 1.00 73.32 H new ATOM 366 N GLU A 25 2.959 7.476 10.738 1.00 44.53 N ATOM 367 CA GLU A 25 4.304 7.877 11.156 1.00 73.11 C ATOM 368 C GLU A 25 4.675 7.268 12.519 1.00 4.51 C ATOM 369 O GLU A 25 5.843 6.988 12.792 1.00 34.40 O ATOM 370 CB GLU A 25 4.377 9.410 11.219 1.00 14.25 C ATOM 371 CG GLU A 25 5.738 9.961 11.628 1.00 11.54 C ATOM 372 CD GLU A 25 5.768 11.480 11.640 1.00 41.34 C ATOM 373 OE1 GLU A 25 5.360 12.079 12.656 1.00 43.32 O ATOM 374 OE2 GLU A 25 6.178 12.084 10.627 1.00 31.54 O ATOM 0 H GLU A 25 2.265 8.220 10.801 1.00 44.53 H new ATOM 0 HA GLU A 25 5.021 7.503 10.425 1.00 73.11 H new ATOM 0 HB2 GLU A 25 4.114 9.814 10.241 1.00 14.25 H new ATOM 0 HB3 GLU A 25 3.627 9.768 11.924 1.00 14.25 H new ATOM 0 HG2 GLU A 25 5.995 9.587 12.619 1.00 11.54 H new ATOM 0 HG3 GLU A 25 6.498 9.591 10.940 1.00 11.54 H new ATOM 381 N GLU A 26 3.671 7.047 13.359 1.00 24.45 N ATOM 382 CA GLU A 26 3.892 6.530 14.714 1.00 4.23 C ATOM 383 C GLU A 26 4.340 5.058 14.725 1.00 51.34 C ATOM 384 O GLU A 26 5.110 4.646 15.598 1.00 32.31 O ATOM 385 CB GLU A 26 2.620 6.705 15.550 1.00 14.52 C ATOM 386 CG GLU A 26 2.208 8.162 15.729 1.00 65.31 C ATOM 387 CD GLU A 26 3.262 8.984 16.458 1.00 31.14 C ATOM 388 OE1 GLU A 26 3.346 8.883 17.700 1.00 23.23 O ATOM 389 OE2 GLU A 26 4.016 9.726 15.796 1.00 71.31 O ATOM 0 H GLU A 26 2.692 7.217 13.130 1.00 24.45 H new ATOM 0 HA GLU A 26 4.706 7.108 15.152 1.00 4.23 H new ATOM 0 HB2 GLU A 26 1.804 6.160 15.075 1.00 14.52 H new ATOM 0 HB3 GLU A 26 2.774 6.256 16.531 1.00 14.52 H new ATOM 0 HG2 GLU A 26 2.020 8.605 14.751 1.00 65.31 H new ATOM 0 HG3 GLU A 26 1.271 8.205 16.284 1.00 65.31 H new ATOM 396 N SER A 27 3.859 4.257 13.777 1.00 62.12 N ATOM 397 CA SER A 27 4.229 2.830 13.723 1.00 64.52 C ATOM 398 C SER A 27 4.954 2.451 12.420 1.00 72.40 C ATOM 399 O SER A 27 5.475 1.340 12.300 1.00 10.32 O ATOM 400 CB SER A 27 2.989 1.948 13.901 1.00 24.31 C ATOM 401 OG SER A 27 3.337 0.577 14.028 1.00 35.33 O ATOM 0 H SER A 27 3.220 4.559 13.041 1.00 62.12 H new ATOM 0 HA SER A 27 4.925 2.658 14.544 1.00 64.52 H new ATOM 0 HB2 SER A 27 2.438 2.268 14.786 1.00 24.31 H new ATOM 0 HB3 SER A 27 2.324 2.078 13.047 1.00 24.31 H new ATOM 0 HG SER A 27 3.612 0.227 13.155 1.00 35.33 H new ATOM 407 N GLY A 28 4.968 3.354 11.440 1.00 55.22 N ATOM 408 CA GLY A 28 5.737 3.124 10.214 1.00 0.30 C ATOM 409 C GLY A 28 5.037 2.241 9.175 1.00 40.50 C ATOM 410 O GLY A 28 5.668 1.799 8.218 1.00 22.43 O ATOM 0 H GLY A 28 4.464 4.240 11.468 1.00 55.22 H new ATOM 0 HA2 GLY A 28 5.964 4.087 9.758 1.00 0.30 H new ATOM 0 HA3 GLY A 28 6.689 2.664 10.479 1.00 0.30 H new ATOM 414 N PHE A 29 3.746 1.969 9.357 1.00 23.14 N ATOM 415 CA PHE A 29 2.997 1.111 8.419 1.00 10.43 C ATOM 416 C PHE A 29 2.102 1.926 7.468 1.00 73.20 C ATOM 417 O PHE A 29 1.685 3.042 7.787 1.00 4.44 O ATOM 418 CB PHE A 29 2.130 0.100 9.186 1.00 1.34 C ATOM 419 CG PHE A 29 2.918 -0.921 9.970 1.00 51.31 C ATOM 420 CD1 PHE A 29 3.524 -1.988 9.325 1.00 54.22 C ATOM 421 CD2 PHE A 29 3.044 -0.821 11.346 1.00 1.32 C ATOM 422 CE1 PHE A 29 4.242 -2.932 10.036 1.00 40.10 C ATOM 423 CE2 PHE A 29 3.761 -1.762 12.062 1.00 72.22 C ATOM 424 CZ PHE A 29 4.360 -2.819 11.407 1.00 50.35 C ATOM 0 H PHE A 29 3.193 2.324 10.137 1.00 23.14 H new ATOM 0 HA PHE A 29 3.738 0.584 7.818 1.00 10.43 H new ATOM 0 HB2 PHE A 29 1.478 0.643 9.870 1.00 1.34 H new ATOM 0 HB3 PHE A 29 1.486 -0.421 8.477 1.00 1.34 H new ATOM 0 HD1 PHE A 29 3.434 -2.083 8.253 1.00 54.22 H new ATOM 0 HD2 PHE A 29 2.576 0.002 11.866 1.00 1.32 H new ATOM 0 HE1 PHE A 29 4.710 -3.757 9.519 1.00 40.10 H new ATOM 0 HE2 PHE A 29 3.852 -1.670 13.134 1.00 72.22 H new ATOM 0 HZ PHE A 29 4.919 -3.555 11.965 1.00 50.35 H new ATOM 434 N TYR A 30 1.819 1.357 6.295 1.00 0.31 N ATOM 435 CA TYR A 30 0.859 1.938 5.343 1.00 73.33 C ATOM 436 C TYR A 30 -0.487 1.197 5.403 1.00 73.43 C ATOM 437 O TYR A 30 -0.533 -0.027 5.290 1.00 71.44 O ATOM 438 CB TYR A 30 1.404 1.864 3.908 1.00 1.02 C ATOM 439 CG TYR A 30 2.532 2.836 3.607 1.00 41.15 C ATOM 440 CD1 TYR A 30 3.827 2.598 4.056 1.00 45.44 C ATOM 441 CD2 TYR A 30 2.303 3.988 2.859 1.00 52.25 C ATOM 442 CE1 TYR A 30 4.853 3.478 3.771 1.00 73.55 C ATOM 443 CE2 TYR A 30 3.328 4.872 2.573 1.00 3.22 C ATOM 444 CZ TYR A 30 4.601 4.610 3.030 1.00 64.34 C ATOM 445 OH TYR A 30 5.631 5.479 2.748 1.00 61.32 O ATOM 0 H TYR A 30 2.243 0.486 5.976 1.00 0.31 H new ATOM 0 HA TYR A 30 0.711 2.981 5.622 1.00 73.33 H new ATOM 0 HB2 TYR A 30 1.756 0.850 3.719 1.00 1.02 H new ATOM 0 HB3 TYR A 30 0.586 2.052 3.213 1.00 1.02 H new ATOM 0 HD1 TYR A 30 4.034 1.711 4.637 1.00 45.44 H new ATOM 0 HD2 TYR A 30 1.307 4.195 2.496 1.00 52.25 H new ATOM 0 HE1 TYR A 30 5.852 3.278 4.129 1.00 73.55 H new ATOM 0 HE2 TYR A 30 3.131 5.763 1.995 1.00 3.22 H new ATOM 0 HH TYR A 30 5.291 6.228 2.216 1.00 61.32 H new ATOM 455 N GLU A 31 -1.576 1.944 5.565 1.00 11.30 N ATOM 456 CA GLU A 31 -2.926 1.362 5.620 1.00 63.14 C ATOM 457 C GLU A 31 -3.645 1.494 4.267 1.00 4.23 C ATOM 458 O GLU A 31 -3.870 2.604 3.782 1.00 62.44 O ATOM 459 CB GLU A 31 -3.749 2.071 6.705 1.00 14.40 C ATOM 460 CG GLU A 31 -3.162 1.949 8.108 1.00 24.43 C ATOM 461 CD GLU A 31 -3.873 2.836 9.121 1.00 51.34 C ATOM 462 OE1 GLU A 31 -5.102 2.697 9.282 1.00 42.24 O ATOM 463 OE2 GLU A 31 -3.208 3.693 9.739 1.00 61.05 O ATOM 0 H GLU A 31 -1.556 2.959 5.661 1.00 11.30 H new ATOM 0 HA GLU A 31 -2.829 0.302 5.856 1.00 63.14 H new ATOM 0 HB2 GLU A 31 -3.835 3.127 6.449 1.00 14.40 H new ATOM 0 HB3 GLU A 31 -4.759 1.660 6.708 1.00 14.40 H new ATOM 0 HG2 GLU A 31 -3.223 0.911 8.434 1.00 24.43 H new ATOM 0 HG3 GLU A 31 -2.105 2.212 8.079 1.00 24.43 H new ATOM 470 N PHE A 32 -4.013 0.366 3.661 1.00 54.54 N ATOM 471 CA PHE A 32 -4.724 0.382 2.374 1.00 55.32 C ATOM 472 C PHE A 32 -5.726 -0.777 2.265 1.00 73.25 C ATOM 473 O PHE A 32 -5.487 -1.873 2.778 1.00 11.34 O ATOM 474 CB PHE A 32 -3.727 0.343 1.202 1.00 54.32 C ATOM 475 CG PHE A 32 -2.836 -0.879 1.170 1.00 74.33 C ATOM 476 CD1 PHE A 32 -1.736 -0.979 2.014 1.00 74.52 C ATOM 477 CD2 PHE A 32 -3.091 -1.922 0.286 1.00 11.13 C ATOM 478 CE1 PHE A 32 -0.916 -2.092 1.977 1.00 22.34 C ATOM 479 CE2 PHE A 32 -2.272 -3.035 0.247 1.00 12.31 C ATOM 480 CZ PHE A 32 -1.184 -3.119 1.093 1.00 30.35 C ATOM 0 H PHE A 32 -3.834 -0.567 4.034 1.00 54.54 H new ATOM 0 HA PHE A 32 -5.288 1.313 2.324 1.00 55.32 H new ATOM 0 HB2 PHE A 32 -4.285 0.394 0.267 1.00 54.32 H new ATOM 0 HB3 PHE A 32 -3.099 1.233 1.247 1.00 54.32 H new ATOM 0 HD1 PHE A 32 -1.519 -0.179 2.706 1.00 74.52 H new ATOM 0 HD2 PHE A 32 -3.940 -1.862 -0.379 1.00 11.13 H new ATOM 0 HE1 PHE A 32 -0.066 -2.158 2.640 1.00 22.34 H new ATOM 0 HE2 PHE A 32 -2.483 -3.838 -0.444 1.00 12.31 H new ATOM 0 HZ PHE A 32 -0.543 -3.987 1.064 1.00 30.35 H new ATOM 490 N LYS A 33 -6.855 -0.525 1.603 1.00 42.20 N ATOM 491 CA LYS A 33 -7.893 -1.545 1.434 1.00 21.54 C ATOM 492 C LYS A 33 -7.780 -2.233 0.067 1.00 54.20 C ATOM 493 O LYS A 33 -8.038 -1.619 -0.970 1.00 13.25 O ATOM 494 CB LYS A 33 -9.279 -0.911 1.589 1.00 64.01 C ATOM 495 CG LYS A 33 -10.422 -1.917 1.636 1.00 4.14 C ATOM 496 CD LYS A 33 -11.799 -1.244 1.650 1.00 64.31 C ATOM 497 CE LYS A 33 -12.023 -0.360 2.880 1.00 52.35 C ATOM 498 NZ LYS A 33 -11.260 0.917 2.818 1.00 33.33 N ATOM 0 H LYS A 33 -7.075 0.374 1.175 1.00 42.20 H new ATOM 0 HA LYS A 33 -7.753 -2.302 2.206 1.00 21.54 H new ATOM 0 HB2 LYS A 33 -9.295 -0.317 2.503 1.00 64.01 H new ATOM 0 HB3 LYS A 33 -9.447 -0.225 0.759 1.00 64.01 H new ATOM 0 HG2 LYS A 33 -10.354 -2.579 0.773 1.00 4.14 H new ATOM 0 HG3 LYS A 33 -10.317 -2.540 2.524 1.00 4.14 H new ATOM 0 HD2 LYS A 33 -11.910 -0.639 0.750 1.00 64.31 H new ATOM 0 HD3 LYS A 33 -12.572 -2.011 1.616 1.00 64.31 H new ATOM 0 HE2 LYS A 33 -13.086 -0.139 2.974 1.00 52.35 H new ATOM 0 HE3 LYS A 33 -11.731 -0.909 3.775 1.00 52.35 H new ATOM 0 HZ1 LYS A 33 -10.495 0.899 3.522 1.00 33.33 H new ATOM 0 HZ2 LYS A 33 -10.853 1.033 1.868 1.00 33.33 H new ATOM 0 HZ3 LYS A 33 -11.898 1.713 3.020 1.00 33.33 H new ATOM 512 N GLN A 34 -7.403 -3.511 0.076 1.00 43.02 N ATOM 513 CA GLN A 34 -7.229 -4.285 -1.162 1.00 10.41 C ATOM 514 C GLN A 34 -8.540 -4.386 -1.968 1.00 22.44 C ATOM 515 O GLN A 34 -9.620 -4.073 -1.461 1.00 23.44 O ATOM 516 CB GLN A 34 -6.715 -5.692 -0.829 1.00 64.13 C ATOM 517 CG GLN A 34 -5.387 -5.712 -0.082 1.00 53.30 C ATOM 518 CD GLN A 34 -4.986 -7.111 0.359 1.00 4.34 C ATOM 519 OE1 GLN A 34 -4.305 -7.836 -0.358 1.00 2.54 O ATOM 520 NE2 GLN A 34 -5.414 -7.506 1.541 1.00 34.10 N ATOM 0 H GLN A 34 -7.211 -4.038 0.928 1.00 43.02 H new ATOM 0 HA GLN A 34 -6.500 -3.760 -1.779 1.00 10.41 H new ATOM 0 HB2 GLN A 34 -7.464 -6.208 -0.229 1.00 64.13 H new ATOM 0 HB3 GLN A 34 -6.606 -6.256 -1.756 1.00 64.13 H new ATOM 0 HG2 GLN A 34 -4.608 -5.299 -0.723 1.00 53.30 H new ATOM 0 HG3 GLN A 34 -5.456 -5.065 0.793 1.00 53.30 H new ATOM 0 HE21 GLN A 34 -5.979 -6.879 2.114 1.00 34.10 H new ATOM 0 HE22 GLN A 34 -5.180 -8.438 1.883 1.00 34.10 H new ATOM 529 N LEU A 35 -8.435 -4.852 -3.216 1.00 30.44 N ATOM 530 CA LEU A 35 -9.589 -4.934 -4.130 1.00 32.34 C ATOM 531 C LEU A 35 -10.786 -5.686 -3.516 1.00 75.44 C ATOM 532 O LEU A 35 -11.931 -5.248 -3.644 1.00 72.12 O ATOM 533 CB LEU A 35 -9.178 -5.603 -5.450 1.00 34.35 C ATOM 534 CG LEU A 35 -8.106 -4.855 -6.261 1.00 43.34 C ATOM 535 CD1 LEU A 35 -7.765 -5.619 -7.540 1.00 24.03 C ATOM 536 CD2 LEU A 35 -8.566 -3.433 -6.588 1.00 64.04 C ATOM 0 H LEU A 35 -7.559 -5.181 -3.623 1.00 30.44 H new ATOM 0 HA LEU A 35 -9.912 -3.910 -4.317 1.00 32.34 H new ATOM 0 HB2 LEU A 35 -8.810 -6.605 -5.231 1.00 34.35 H new ATOM 0 HB3 LEU A 35 -10.066 -5.718 -6.072 1.00 34.35 H new ATOM 0 HG LEU A 35 -7.205 -4.789 -5.652 1.00 43.34 H new ATOM 0 HD11 LEU A 35 -7.005 -5.073 -8.099 1.00 24.03 H new ATOM 0 HD12 LEU A 35 -7.385 -6.608 -7.283 1.00 24.03 H new ATOM 0 HD13 LEU A 35 -8.661 -5.722 -8.152 1.00 24.03 H new ATOM 0 HD21 LEU A 35 -7.792 -2.923 -7.162 1.00 64.04 H new ATOM 0 HD22 LEU A 35 -9.485 -3.473 -7.173 1.00 64.04 H new ATOM 0 HD23 LEU A 35 -8.750 -2.888 -5.662 1.00 64.04 H new ATOM 548 N ASP A 36 -10.522 -6.805 -2.846 1.00 1.20 N ATOM 549 CA ASP A 36 -11.595 -7.624 -2.261 1.00 71.25 C ATOM 550 C ASP A 36 -12.172 -6.999 -0.975 1.00 52.02 C ATOM 551 O ASP A 36 -13.116 -7.533 -0.386 1.00 12.42 O ATOM 552 CB ASP A 36 -11.086 -9.038 -1.976 1.00 51.02 C ATOM 553 CG ASP A 36 -10.548 -9.717 -3.224 1.00 40.13 C ATOM 554 OD1 ASP A 36 -11.354 -10.021 -4.130 1.00 14.45 O ATOM 555 OD2 ASP A 36 -9.322 -9.939 -3.308 1.00 52.13 O ATOM 0 H ASP A 36 -9.582 -7.169 -2.692 1.00 1.20 H new ATOM 0 HA ASP A 36 -12.402 -7.668 -2.992 1.00 71.25 H new ATOM 0 HB2 ASP A 36 -10.301 -8.994 -1.221 1.00 51.02 H new ATOM 0 HB3 ASP A 36 -11.896 -9.637 -1.559 1.00 51.02 H new ATOM 560 N GLY A 37 -11.603 -5.878 -0.540 1.00 10.33 N ATOM 561 CA GLY A 37 -12.134 -5.163 0.619 1.00 24.41 C ATOM 562 C GLY A 37 -11.341 -5.381 1.908 1.00 33.12 C ATOM 563 O GLY A 37 -11.654 -4.787 2.939 1.00 2.21 O ATOM 0 H GLY A 37 -10.783 -5.448 -0.967 1.00 10.33 H new ATOM 0 HA2 GLY A 37 -12.156 -4.096 0.395 1.00 24.41 H new ATOM 0 HA3 GLY A 37 -13.165 -5.475 0.783 1.00 24.41 H new ATOM 567 N LYS A 38 -10.311 -6.222 1.861 1.00 43.00 N ATOM 568 CA LYS A 38 -9.492 -6.496 3.051 1.00 51.44 C ATOM 569 C LYS A 38 -8.418 -5.415 3.263 1.00 62.33 C ATOM 570 O LYS A 38 -7.409 -5.374 2.555 1.00 71.52 O ATOM 571 CB LYS A 38 -8.839 -7.884 2.946 1.00 70.24 C ATOM 572 CG LYS A 38 -9.849 -9.029 2.922 1.00 2.05 C ATOM 573 CD LYS A 38 -9.178 -10.394 2.787 1.00 11.50 C ATOM 574 CE LYS A 38 -8.251 -10.702 3.960 1.00 31.10 C ATOM 575 NZ LYS A 38 -7.652 -12.058 3.852 1.00 73.31 N ATOM 0 H LYS A 38 -10.021 -6.724 1.022 1.00 43.00 H new ATOM 0 HA LYS A 38 -10.154 -6.480 3.917 1.00 51.44 H new ATOM 0 HB2 LYS A 38 -8.233 -7.925 2.041 1.00 70.24 H new ATOM 0 HB3 LYS A 38 -8.162 -8.024 3.789 1.00 70.24 H new ATOM 0 HG2 LYS A 38 -10.441 -9.007 3.837 1.00 2.05 H new ATOM 0 HG3 LYS A 38 -10.540 -8.883 2.092 1.00 2.05 H new ATOM 0 HD2 LYS A 38 -9.943 -11.167 2.719 1.00 11.50 H new ATOM 0 HD3 LYS A 38 -8.608 -10.426 1.858 1.00 11.50 H new ATOM 0 HE2 LYS A 38 -7.457 -9.957 4.001 1.00 31.10 H new ATOM 0 HE3 LYS A 38 -8.809 -10.625 4.893 1.00 31.10 H new ATOM 0 HZ1 LYS A 38 -7.029 -12.228 4.667 1.00 73.31 H new ATOM 0 HZ2 LYS A 38 -8.408 -12.772 3.839 1.00 73.31 H new ATOM 0 HZ3 LYS A 38 -7.099 -12.124 2.974 1.00 73.31 H new ATOM 589 N GLN A 39 -8.653 -4.532 4.234 1.00 13.51 N ATOM 590 CA GLN A 39 -7.684 -3.488 4.596 1.00 42.54 C ATOM 591 C GLN A 39 -6.483 -4.084 5.347 1.00 62.24 C ATOM 592 O GLN A 39 -6.638 -4.670 6.417 1.00 54.32 O ATOM 593 CB GLN A 39 -8.362 -2.420 5.468 1.00 3.54 C ATOM 594 CG GLN A 39 -7.431 -1.289 5.911 1.00 22.10 C ATOM 595 CD GLN A 39 -8.102 -0.303 6.856 1.00 54.13 C ATOM 596 OE1 GLN A 39 -8.993 -0.662 7.619 1.00 3.34 O ATOM 597 NE2 GLN A 39 -7.678 0.945 6.818 1.00 62.12 N ATOM 0 H GLN A 39 -9.509 -4.516 4.788 1.00 13.51 H new ATOM 0 HA GLN A 39 -7.321 -3.030 3.676 1.00 42.54 H new ATOM 0 HB2 GLN A 39 -9.198 -1.992 4.915 1.00 3.54 H new ATOM 0 HB3 GLN A 39 -8.779 -2.900 6.353 1.00 3.54 H new ATOM 0 HG2 GLN A 39 -6.557 -1.717 6.402 1.00 22.10 H new ATOM 0 HG3 GLN A 39 -7.073 -0.755 5.031 1.00 22.10 H new ATOM 0 HE21 GLN A 39 -6.935 1.212 6.172 1.00 62.12 H new ATOM 0 HE22 GLN A 39 -8.093 1.644 7.435 1.00 62.12 H new ATOM 606 N THR A 40 -5.290 -3.925 4.784 1.00 32.44 N ATOM 607 CA THR A 40 -4.064 -4.473 5.387 1.00 70.03 C ATOM 608 C THR A 40 -2.991 -3.393 5.580 1.00 62.53 C ATOM 609 O THR A 40 -3.087 -2.297 5.015 1.00 45.05 O ATOM 610 CB THR A 40 -3.475 -5.624 4.534 1.00 35.22 C ATOM 611 OG1 THR A 40 -2.239 -6.082 5.104 1.00 13.30 O ATOM 612 CG2 THR A 40 -3.241 -5.182 3.091 1.00 0.13 C ATOM 0 H THR A 40 -5.138 -3.422 3.910 1.00 32.44 H new ATOM 0 HA THR A 40 -4.353 -4.863 6.363 1.00 70.03 H new ATOM 0 HB THR A 40 -4.199 -6.439 4.531 1.00 35.22 H new ATOM 0 HG1 THR A 40 -1.877 -6.810 4.558 1.00 13.30 H new ATOM 0 HG21 THR A 40 -2.827 -6.012 2.519 1.00 0.13 H new ATOM 0 HG22 THR A 40 -4.187 -4.871 2.648 1.00 0.13 H new ATOM 0 HG23 THR A 40 -2.541 -4.346 3.075 1.00 0.13 H new ATOM 620 N ARG A 41 -1.973 -3.706 6.381 1.00 55.32 N ATOM 621 CA ARG A 41 -0.888 -2.760 6.672 1.00 42.45 C ATOM 622 C ARG A 41 0.486 -3.382 6.381 1.00 44.02 C ATOM 623 O ARG A 41 0.792 -4.479 6.845 1.00 54.12 O ATOM 624 CB ARG A 41 -0.943 -2.313 8.139 1.00 21.44 C ATOM 625 CG ARG A 41 -2.238 -1.604 8.527 1.00 22.40 C ATOM 626 CD ARG A 41 -2.253 -1.259 10.012 1.00 72.32 C ATOM 627 NE ARG A 41 -2.086 -2.452 10.841 1.00 12.14 N ATOM 628 CZ ARG A 41 -1.283 -2.539 11.865 1.00 2.44 C ATOM 629 NH1 ARG A 41 -0.613 -1.509 12.277 1.00 62.34 N ATOM 630 NH2 ARG A 41 -1.163 -3.663 12.490 1.00 73.20 N ATOM 0 H ARG A 41 -1.874 -4.610 6.843 1.00 55.32 H new ATOM 0 HA ARG A 41 -1.025 -1.895 6.023 1.00 42.45 H new ATOM 0 HB2 ARG A 41 -0.814 -3.186 8.779 1.00 21.44 H new ATOM 0 HB3 ARG A 41 -0.103 -1.646 8.336 1.00 21.44 H new ATOM 0 HG2 ARG A 41 -2.348 -0.693 7.938 1.00 22.40 H new ATOM 0 HG3 ARG A 41 -3.090 -2.241 8.290 1.00 22.40 H new ATOM 0 HD2 ARG A 41 -1.455 -0.549 10.230 1.00 72.32 H new ATOM 0 HD3 ARG A 41 -3.194 -0.769 10.263 1.00 72.32 H new ATOM 0 HE ARG A 41 -2.637 -3.276 10.601 1.00 12.14 H new ATOM 0 HH11 ARG A 41 -0.710 -0.613 11.799 1.00 62.34 H new ATOM 0 HH12 ARG A 41 0.011 -1.594 13.080 1.00 62.34 H new ATOM 0 HH21 ARG A 41 -1.695 -4.477 12.182 1.00 73.20 H new ATOM 0 HH22 ARG A 41 -0.536 -3.737 13.291 1.00 73.20 H new ATOM 644 N ILE A 42 1.314 -2.671 5.622 1.00 1.31 N ATOM 645 CA ILE A 42 2.672 -3.140 5.310 1.00 23.42 C ATOM 646 C ILE A 42 3.724 -2.116 5.774 1.00 31.40 C ATOM 647 O ILE A 42 3.449 -0.915 5.829 1.00 23.33 O ATOM 648 CB ILE A 42 2.830 -3.420 3.791 1.00 41.24 C ATOM 649 CG1 ILE A 42 4.174 -4.115 3.504 1.00 70.15 C ATOM 650 CG2 ILE A 42 2.700 -2.124 2.987 1.00 54.32 C ATOM 651 CD1 ILE A 42 4.334 -4.562 2.067 1.00 31.20 C ATOM 0 H ILE A 42 1.075 -1.769 5.210 1.00 1.31 H new ATOM 0 HA ILE A 42 2.833 -4.073 5.850 1.00 23.42 H new ATOM 0 HB ILE A 42 2.030 -4.092 3.480 1.00 41.24 H new ATOM 0 HG12 ILE A 42 4.986 -3.433 3.756 1.00 70.15 H new ATOM 0 HG13 ILE A 42 4.271 -4.982 4.158 1.00 70.15 H new ATOM 0 HG21 ILE A 42 2.814 -2.342 1.925 1.00 54.32 H new ATOM 0 HG22 ILE A 42 1.719 -1.683 3.164 1.00 54.32 H new ATOM 0 HG23 ILE A 42 3.475 -1.423 3.299 1.00 54.32 H new ATOM 0 HD11 ILE A 42 5.304 -5.043 1.941 1.00 31.20 H new ATOM 0 HD12 ILE A 42 3.544 -5.269 1.816 1.00 31.20 H new ATOM 0 HD13 ILE A 42 4.270 -3.697 1.407 1.00 31.20 H new ATOM 663 N ASN A 43 4.922 -2.590 6.120 1.00 65.34 N ATOM 664 CA ASN A 43 5.965 -1.719 6.681 1.00 23.15 C ATOM 665 C ASN A 43 6.494 -0.699 5.652 1.00 33.14 C ATOM 666 O ASN A 43 6.470 -0.938 4.442 1.00 33.22 O ATOM 667 CB ASN A 43 7.118 -2.561 7.237 1.00 5.13 C ATOM 668 CG ASN A 43 8.076 -1.743 8.086 1.00 60.01 C ATOM 669 OD1 ASN A 43 7.684 -0.776 8.730 1.00 75.30 O ATOM 670 ND2 ASN A 43 9.338 -2.112 8.081 1.00 22.44 N ATOM 0 H ASN A 43 5.197 -3.568 6.024 1.00 65.34 H new ATOM 0 HA ASN A 43 5.509 -1.151 7.492 1.00 23.15 H new ATOM 0 HB2 ASN A 43 6.713 -3.377 7.835 1.00 5.13 H new ATOM 0 HB3 ASN A 43 7.665 -3.013 6.410 1.00 5.13 H new ATOM 0 HD21 ASN A 43 10.025 -1.589 8.624 1.00 22.44 H new ATOM 0 HD22 ASN A 43 9.630 -2.922 7.534 1.00 22.44 H new ATOM 677 N LYS A 44 6.994 0.430 6.158 1.00 41.52 N ATOM 678 CA LYS A 44 7.400 1.568 5.319 1.00 21.42 C ATOM 679 C LYS A 44 8.595 1.266 4.400 1.00 65.24 C ATOM 680 O LYS A 44 8.792 1.953 3.397 1.00 3.34 O ATOM 681 CB LYS A 44 7.738 2.778 6.203 1.00 10.22 C ATOM 682 CG LYS A 44 8.980 2.580 7.073 1.00 64.54 C ATOM 683 CD LYS A 44 9.235 3.774 7.991 1.00 3.00 C ATOM 684 CE LYS A 44 9.391 5.079 7.212 1.00 52.20 C ATOM 685 NZ LYS A 44 10.555 5.059 6.285 1.00 21.31 N ATOM 0 H LYS A 44 7.130 0.585 7.157 1.00 41.52 H new ATOM 0 HA LYS A 44 6.549 1.783 4.672 1.00 21.42 H new ATOM 0 HB2 LYS A 44 7.887 3.650 5.567 1.00 10.22 H new ATOM 0 HB3 LYS A 44 6.886 2.995 6.847 1.00 10.22 H new ATOM 0 HG2 LYS A 44 8.860 1.679 7.675 1.00 64.54 H new ATOM 0 HG3 LYS A 44 9.849 2.423 6.434 1.00 64.54 H new ATOM 0 HD2 LYS A 44 8.410 3.870 8.696 1.00 3.00 H new ATOM 0 HD3 LYS A 44 10.136 3.593 8.577 1.00 3.00 H new ATOM 0 HE2 LYS A 44 8.481 5.268 6.642 1.00 52.20 H new ATOM 0 HE3 LYS A 44 9.505 5.905 7.914 1.00 52.20 H new ATOM 0 HZ1 LYS A 44 10.645 5.985 5.820 1.00 21.31 H new ATOM 0 HZ2 LYS A 44 11.422 4.856 6.821 1.00 21.31 H new ATOM 0 HZ3 LYS A 44 10.413 4.322 5.565 1.00 21.31 H new ATOM 699 N ASP A 45 9.391 0.260 4.735 1.00 52.21 N ATOM 700 CA ASP A 45 10.608 -0.035 3.975 1.00 15.22 C ATOM 701 C ASP A 45 10.311 -0.806 2.678 1.00 30.30 C ATOM 702 O ASP A 45 11.070 -0.727 1.708 1.00 34.12 O ATOM 703 CB ASP A 45 11.608 -0.810 4.847 1.00 74.31 C ATOM 704 CG ASP A 45 11.075 -2.140 5.370 1.00 4.12 C ATOM 705 OD1 ASP A 45 9.848 -2.366 5.344 1.00 34.13 O ATOM 706 OD2 ASP A 45 11.890 -2.966 5.830 1.00 43.04 O ATOM 0 H ASP A 45 9.221 -0.365 5.523 1.00 52.21 H new ATOM 0 HA ASP A 45 11.050 0.919 3.687 1.00 15.22 H new ATOM 0 HB2 ASP A 45 12.512 -0.995 4.267 1.00 74.31 H new ATOM 0 HB3 ASP A 45 11.895 -0.187 5.694 1.00 74.31 H new ATOM 711 N GLN A 46 9.196 -1.530 2.655 1.00 41.24 N ATOM 712 CA GLN A 46 8.849 -2.384 1.511 1.00 10.15 C ATOM 713 C GLN A 46 8.307 -1.586 0.314 1.00 30.20 C ATOM 714 O GLN A 46 8.350 -2.058 -0.818 1.00 1.54 O ATOM 715 CB GLN A 46 7.820 -3.439 1.929 1.00 41.41 C ATOM 716 CG GLN A 46 8.254 -4.274 3.127 1.00 24.10 C ATOM 717 CD GLN A 46 9.590 -4.973 2.916 1.00 12.24 C ATOM 718 OE1 GLN A 46 9.941 -5.364 1.805 1.00 24.44 O ATOM 719 NE2 GLN A 46 10.361 -5.100 3.975 1.00 41.52 N ATOM 0 H GLN A 46 8.514 -1.546 3.413 1.00 41.24 H new ATOM 0 HA GLN A 46 9.773 -2.866 1.191 1.00 10.15 H new ATOM 0 HB2 GLN A 46 6.879 -2.943 2.165 1.00 41.41 H new ATOM 0 HB3 GLN A 46 7.628 -4.102 1.085 1.00 41.41 H new ATOM 0 HG2 GLN A 46 8.322 -3.631 4.005 1.00 24.10 H new ATOM 0 HG3 GLN A 46 7.489 -5.021 3.338 1.00 24.10 H new ATOM 0 HE21 GLN A 46 10.039 -4.765 4.883 1.00 41.52 H new ATOM 0 HE22 GLN A 46 11.280 -5.534 3.888 1.00 41.52 H new ATOM 728 N VAL A 47 7.791 -0.384 0.556 1.00 51.45 N ATOM 729 CA VAL A 47 7.225 0.428 -0.529 1.00 72.33 C ATOM 730 C VAL A 47 8.322 1.012 -1.447 1.00 21.13 C ATOM 731 O VAL A 47 9.161 1.813 -1.027 1.00 74.13 O ATOM 732 CB VAL A 47 6.314 1.564 0.014 1.00 51.32 C ATOM 733 CG1 VAL A 47 7.081 2.501 0.938 1.00 54.42 C ATOM 734 CG2 VAL A 47 5.670 2.340 -1.137 1.00 33.14 C ATOM 0 H VAL A 47 7.751 0.049 1.479 1.00 51.45 H new ATOM 0 HA VAL A 47 6.609 -0.244 -1.126 1.00 72.33 H new ATOM 0 HB VAL A 47 5.521 1.100 0.601 1.00 51.32 H new ATOM 0 HG11 VAL A 47 6.413 3.283 1.299 1.00 54.42 H new ATOM 0 HG12 VAL A 47 7.471 1.937 1.785 1.00 54.42 H new ATOM 0 HG13 VAL A 47 7.908 2.954 0.392 1.00 54.42 H new ATOM 0 HG21 VAL A 47 5.037 3.130 -0.734 1.00 33.14 H new ATOM 0 HG22 VAL A 47 6.449 2.781 -1.759 1.00 33.14 H new ATOM 0 HG23 VAL A 47 5.065 1.662 -1.739 1.00 33.14 H new ATOM 744 N ARG A 48 8.326 0.566 -2.703 1.00 0.25 N ATOM 745 CA ARG A 48 9.248 1.085 -3.720 1.00 33.22 C ATOM 746 C ARG A 48 8.712 2.399 -4.311 1.00 11.22 C ATOM 747 O ARG A 48 9.330 3.457 -4.177 1.00 14.12 O ATOM 748 CB ARG A 48 9.432 0.046 -4.841 1.00 75.41 C ATOM 749 CG ARG A 48 10.488 0.413 -5.884 1.00 32.41 C ATOM 750 CD ARG A 48 11.902 0.345 -5.312 1.00 62.35 C ATOM 751 NE ARG A 48 12.914 0.648 -6.323 1.00 13.30 N ATOM 752 CZ ARG A 48 14.078 0.060 -6.406 1.00 25.14 C ATOM 753 NH1 ARG A 48 14.418 -0.873 -5.568 1.00 63.40 N ATOM 754 NH2 ARG A 48 14.897 0.400 -7.347 1.00 74.35 N ATOM 0 H ARG A 48 7.696 -0.160 -3.045 1.00 0.25 H new ATOM 0 HA ARG A 48 10.211 1.280 -3.249 1.00 33.22 H new ATOM 0 HB2 ARG A 48 9.701 -0.910 -4.392 1.00 75.41 H new ATOM 0 HB3 ARG A 48 8.477 -0.097 -5.346 1.00 75.41 H new ATOM 0 HG2 ARG A 48 10.408 -0.263 -6.735 1.00 32.41 H new ATOM 0 HG3 ARG A 48 10.295 1.419 -6.257 1.00 32.41 H new ATOM 0 HD2 ARG A 48 11.993 1.049 -4.485 1.00 62.35 H new ATOM 0 HD3 ARG A 48 12.082 -0.650 -4.905 1.00 62.35 H new ATOM 0 HE ARG A 48 12.696 1.368 -7.011 1.00 13.30 H new ATOM 0 HH11 ARG A 48 13.772 -1.157 -4.831 1.00 63.40 H new ATOM 0 HH12 ARG A 48 15.331 -1.322 -5.647 1.00 63.40 H new ATOM 0 HH21 ARG A 48 14.632 1.122 -8.017 1.00 74.35 H new ATOM 0 HH22 ARG A 48 15.808 -0.054 -7.419 1.00 74.35 H new ATOM 768 N THR A 49 7.555 2.315 -4.971 1.00 74.15 N ATOM 769 CA THR A 49 6.892 3.485 -5.573 1.00 41.23 C ATOM 770 C THR A 49 5.363 3.343 -5.512 1.00 41.14 C ATOM 771 O THR A 49 4.829 2.237 -5.598 1.00 23.33 O ATOM 772 CB THR A 49 7.299 3.694 -7.058 1.00 21.44 C ATOM 773 OG1 THR A 49 7.016 2.510 -7.822 1.00 1.23 O ATOM 774 CG2 THR A 49 8.776 4.052 -7.196 1.00 12.11 C ATOM 0 H THR A 49 7.049 1.440 -5.106 1.00 74.15 H new ATOM 0 HA THR A 49 7.217 4.348 -4.991 1.00 41.23 H new ATOM 0 HB THR A 49 6.712 4.528 -7.443 1.00 21.44 H new ATOM 0 HG1 THR A 49 7.807 2.260 -8.343 1.00 1.23 H new ATOM 0 HG21 THR A 49 9.020 4.190 -8.249 1.00 12.11 H new ATOM 0 HG22 THR A 49 8.979 4.975 -6.653 1.00 12.11 H new ATOM 0 HG23 THR A 49 9.385 3.247 -6.785 1.00 12.11 H new ATOM 782 N VAL A 50 4.662 4.464 -5.355 1.00 41.15 N ATOM 783 CA VAL A 50 3.194 4.466 -5.328 1.00 43.01 C ATOM 784 C VAL A 50 2.622 5.009 -6.649 1.00 73.20 C ATOM 785 O VAL A 50 2.902 6.147 -7.037 1.00 72.23 O ATOM 786 CB VAL A 50 2.657 5.309 -4.143 1.00 54.33 C ATOM 787 CG1 VAL A 50 1.128 5.292 -4.109 1.00 41.15 C ATOM 788 CG2 VAL A 50 3.238 4.812 -2.817 1.00 42.53 C ATOM 0 H VAL A 50 5.084 5.386 -5.244 1.00 41.15 H new ATOM 0 HA VAL A 50 2.869 3.434 -5.198 1.00 43.01 H new ATOM 0 HB VAL A 50 2.978 6.340 -4.289 1.00 54.33 H new ATOM 0 HG11 VAL A 50 0.776 5.891 -3.269 1.00 41.15 H new ATOM 0 HG12 VAL A 50 0.739 5.707 -5.039 1.00 41.15 H new ATOM 0 HG13 VAL A 50 0.778 4.266 -3.995 1.00 41.15 H new ATOM 0 HG21 VAL A 50 2.848 5.418 -1.999 1.00 42.53 H new ATOM 0 HG22 VAL A 50 2.956 3.770 -2.664 1.00 42.53 H new ATOM 0 HG23 VAL A 50 4.325 4.894 -2.843 1.00 42.53 H new ATOM 798 N LYS A 51 1.826 4.193 -7.339 1.00 41.34 N ATOM 799 CA LYS A 51 1.274 4.574 -8.646 1.00 72.32 C ATOM 800 C LYS A 51 -0.263 4.601 -8.634 1.00 4.14 C ATOM 801 O LYS A 51 -0.910 3.880 -7.872 1.00 42.31 O ATOM 802 CB LYS A 51 1.758 3.602 -9.730 1.00 3.43 C ATOM 803 CG LYS A 51 3.276 3.496 -9.842 1.00 54.44 C ATOM 804 CD LYS A 51 3.690 2.570 -10.984 1.00 13.02 C ATOM 805 CE LYS A 51 5.198 2.359 -11.033 1.00 41.44 C ATOM 806 NZ LYS A 51 5.698 1.627 -9.840 1.00 15.34 N ATOM 0 H LYS A 51 1.547 3.265 -7.019 1.00 41.34 H new ATOM 0 HA LYS A 51 1.629 5.581 -8.866 1.00 72.32 H new ATOM 0 HB2 LYS A 51 1.350 2.613 -9.523 1.00 3.43 H new ATOM 0 HB3 LYS A 51 1.355 3.918 -10.692 1.00 3.43 H new ATOM 0 HG2 LYS A 51 3.700 4.487 -10.004 1.00 54.44 H new ATOM 0 HG3 LYS A 51 3.686 3.123 -8.903 1.00 54.44 H new ATOM 0 HD2 LYS A 51 3.193 1.607 -10.867 1.00 13.02 H new ATOM 0 HD3 LYS A 51 3.352 2.990 -11.931 1.00 13.02 H new ATOM 0 HE2 LYS A 51 5.457 1.803 -11.934 1.00 41.44 H new ATOM 0 HE3 LYS A 51 5.697 3.326 -11.100 1.00 41.44 H new ATOM 0 HZ1 LYS A 51 6.404 0.923 -10.136 1.00 15.34 H new ATOM 0 HZ2 LYS A 51 6.136 2.299 -9.178 1.00 15.34 H new ATOM 0 HZ3 LYS A 51 4.905 1.146 -9.370 1.00 15.34 H new ATOM 820 N ASP A 52 -0.840 5.432 -9.496 1.00 23.15 N ATOM 821 CA ASP A 52 -2.298 5.548 -9.618 1.00 12.53 C ATOM 822 C ASP A 52 -2.846 4.604 -10.704 1.00 32.04 C ATOM 823 O ASP A 52 -2.239 4.444 -11.764 1.00 41.44 O ATOM 824 CB ASP A 52 -2.671 6.996 -9.952 1.00 4.41 C ATOM 825 CG ASP A 52 -2.211 7.967 -8.880 1.00 73.33 C ATOM 826 OD1 ASP A 52 -2.794 7.959 -7.779 1.00 35.31 O ATOM 827 OD2 ASP A 52 -1.257 8.735 -9.131 1.00 52.34 O ATOM 0 H ASP A 52 -0.320 6.041 -10.127 1.00 23.15 H new ATOM 0 HA ASP A 52 -2.745 5.261 -8.666 1.00 12.53 H new ATOM 0 HB2 ASP A 52 -2.225 7.273 -10.907 1.00 4.41 H new ATOM 0 HB3 ASP A 52 -3.752 7.073 -10.071 1.00 4.41 H new ATOM 832 N LEU A 53 -3.992 3.977 -10.437 1.00 63.24 N ATOM 833 CA LEU A 53 -4.640 3.107 -11.431 1.00 72.33 C ATOM 834 C LEU A 53 -5.384 3.929 -12.493 1.00 52.53 C ATOM 835 O LEU A 53 -5.637 3.449 -13.601 1.00 43.32 O ATOM 836 CB LEU A 53 -5.601 2.120 -10.750 1.00 53.44 C ATOM 837 CG LEU A 53 -4.924 1.023 -9.906 1.00 25.42 C ATOM 838 CD1 LEU A 53 -5.966 0.131 -9.229 1.00 21.23 C ATOM 839 CD2 LEU A 53 -3.983 0.184 -10.772 1.00 34.43 C ATOM 0 H LEU A 53 -4.491 4.051 -9.550 1.00 63.24 H new ATOM 0 HA LEU A 53 -3.855 2.539 -11.931 1.00 72.33 H new ATOM 0 HB2 LEU A 53 -6.280 2.682 -10.109 1.00 53.44 H new ATOM 0 HB3 LEU A 53 -6.210 1.642 -11.518 1.00 53.44 H new ATOM 0 HG LEU A 53 -4.338 1.510 -9.127 1.00 25.42 H new ATOM 0 HD11 LEU A 53 -5.462 -0.635 -8.640 1.00 21.23 H new ATOM 0 HD12 LEU A 53 -6.594 0.737 -8.576 1.00 21.23 H new ATOM 0 HD13 LEU A 53 -6.586 -0.345 -9.989 1.00 21.23 H new ATOM 0 HD21 LEU A 53 -3.514 -0.586 -10.159 1.00 34.43 H new ATOM 0 HD22 LEU A 53 -4.550 -0.287 -11.575 1.00 34.43 H new ATOM 0 HD23 LEU A 53 -3.213 0.826 -11.200 1.00 34.43 H new ATOM 851 N LEU A 54 -5.739 5.168 -12.152 1.00 71.00 N ATOM 852 CA LEU A 54 -6.361 6.089 -13.110 1.00 21.20 C ATOM 853 C LEU A 54 -5.413 7.250 -13.457 1.00 33.11 C ATOM 854 O LEU A 54 -5.474 8.322 -12.848 1.00 42.14 O ATOM 855 CB LEU A 54 -7.687 6.637 -12.558 1.00 43.41 C ATOM 856 CG LEU A 54 -8.788 5.591 -12.309 1.00 14.40 C ATOM 857 CD1 LEU A 54 -10.056 6.259 -11.780 1.00 41.33 C ATOM 858 CD2 LEU A 54 -9.086 4.801 -13.583 1.00 55.03 C ATOM 0 H LEU A 54 -5.607 5.559 -11.219 1.00 71.00 H new ATOM 0 HA LEU A 54 -6.567 5.528 -14.022 1.00 21.20 H new ATOM 0 HB2 LEU A 54 -7.483 7.154 -11.620 1.00 43.41 H new ATOM 0 HB3 LEU A 54 -8.070 7.382 -13.256 1.00 43.41 H new ATOM 0 HG LEU A 54 -8.428 4.893 -11.554 1.00 14.40 H new ATOM 0 HD11 LEU A 54 -10.822 5.502 -11.610 1.00 41.33 H new ATOM 0 HD12 LEU A 54 -9.835 6.768 -10.842 1.00 41.33 H new ATOM 0 HD13 LEU A 54 -10.417 6.984 -12.510 1.00 41.33 H new ATOM 0 HD21 LEU A 54 -9.867 4.068 -13.382 1.00 55.03 H new ATOM 0 HD22 LEU A 54 -9.421 5.483 -14.364 1.00 55.03 H new ATOM 0 HD23 LEU A 54 -8.183 4.288 -13.912 1.00 55.03 H new ATOM 870 N GLU A 55 -4.524 7.018 -14.420 1.00 30.15 N ATOM 871 CA GLU A 55 -3.588 8.054 -14.895 1.00 21.53 C ATOM 872 C GLU A 55 -4.127 8.764 -16.152 1.00 5.11 C ATOM 873 O GLU A 55 -4.671 9.885 -16.023 1.00 38.17 O ATOM 874 CB GLU A 55 -2.209 7.432 -15.184 1.00 51.33 C ATOM 875 CG GLU A 55 -1.394 7.094 -13.934 1.00 52.25 C ATOM 876 CD GLU A 55 -0.765 8.321 -13.283 1.00 4.44 C ATOM 877 OE1 GLU A 55 -1.502 9.170 -12.749 1.00 24.14 O ATOM 878 OE2 GLU A 55 0.479 8.452 -13.316 1.00 51.31 O ATOM 0 H GLU A 55 -4.426 6.120 -14.893 1.00 30.15 H new ATOM 0 HA GLU A 55 -3.485 8.800 -14.107 1.00 21.53 H new ATOM 0 HB2 GLU A 55 -2.349 6.523 -15.768 1.00 51.33 H new ATOM 0 HB3 GLU A 55 -1.635 8.122 -15.802 1.00 51.33 H new ATOM 0 HG2 GLU A 55 -2.039 6.596 -13.210 1.00 52.25 H new ATOM 0 HG3 GLU A 55 -0.608 6.387 -14.200 1.00 52.25 H new TER 885 GLU A 55