USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1096 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 41 GLN : amide:sc= -0.0777 K(o=-0.46,f=-2.3) USER MOD Set 1.2: A 72 MET CE :methyl -176:sc= -0.376 (180deg=-0.425) USER MOD Set 1.3: A 75 LYS NZ :NH3+ 163:sc=-0.00124 (180deg=-0.116) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.424 K(o=-0.56,f=-2.8!) USER MOD Set 2.2: A 62 THR OG1 : rot 150:sc= -0.133 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0511 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 8 GLN : amide:sc=-0.000712 K(o=-0.00071,f=-2.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 75:sc= 0.283 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.099) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -78:sc= 1.23 USER MOD Single : A 42 ASN : amide:sc= -7.41! K(o=-7.4!,f=-3) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 49 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.062) USER MOD Single : A 51 MET CE :methyl -163:sc= -0.0434 (180deg=-0.564) USER MOD Single : A 53 ASN : amide:sc= -2.43! C(o=-2.4!,f=-1.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -164:sc= -0.375 (180deg=-1.6) USER MOD Single : A 76 MET CE :methyl 164:sc= -0.165 (180deg=-0.862) USER MOD Single : A 77 LYS NZ :NH3+ -111:sc= -0.98 (180deg=-2.62!) USER MOD Single : A 79 THR OG1 : rot -51:sc= 0.566 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= 0.815 (180deg=0.318) USER MOD Single : A 97 ASN : amide:sc= -1.66! C(o=-1.7!,f=-2.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -83:sc= 0.688 USER MOD Single : A 107 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.087) USER MOD Single : A 109 MET CE :methyl -165:sc= -2.73 (180deg=-3.27) USER MOD Single : A 110 THR OG1 : rot -61:sc= -0.643! USER MOD Single : A 111 ASN : amide:sc= -0.0491 X(o=-0.049,f=-0.36) USER MOD Single : A 115 LYS NZ :NH3+ 156:sc= -0.0891 (180deg=-0.684) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 137 ASN : amide:sc= -4.25! C(o=-4.3!,f=-9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 144 MET CE :methyl -170:sc= -0.0228 (180deg=-0.0899) USER MOD Single : A 145 MET CE :methyl -139:sc= -0.533 (180deg=-3.79!) USER MOD Single : A 146 THR OG1 : rot 91:sc= -0.553! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.682 12.616 -12.077 1.00 2.59 N ATOM 2 CA ALA A 1 14.197 12.511 -12.037 1.00 2.02 C ATOM 3 C ALA A 1 13.757 12.028 -10.653 1.00 1.86 C ATOM 4 O ALA A 1 14.478 11.323 -9.971 1.00 2.43 O ATOM 5 CB ALA A 1 13.725 11.514 -13.097 1.00 2.31 C ATOM 0 H1 ALA A 1 15.957 13.616 -12.151 1.00 2.59 H new ATOM 0 H2 ALA A 1 16.082 12.210 -11.207 1.00 2.59 H new ATOM 0 H3 ALA A 1 16.045 12.095 -12.901 1.00 2.59 H new ATOM 0 HA ALA A 1 13.760 13.489 -12.238 1.00 2.02 H new ATOM 0 HB1 ALA A 1 12.638 11.438 -13.067 1.00 2.31 H new ATOM 0 HB2 ALA A 1 14.037 11.857 -14.083 1.00 2.31 H new ATOM 0 HB3 ALA A 1 14.163 10.536 -12.897 1.00 2.31 H new ATOM 13 N ASP A 2 12.581 12.403 -10.225 1.00 1.19 N ATOM 14 CA ASP A 2 12.095 11.971 -8.880 1.00 1.09 C ATOM 15 C ASP A 2 11.449 10.599 -8.987 1.00 0.77 C ATOM 16 O ASP A 2 10.732 10.160 -8.111 1.00 0.65 O ATOM 17 CB ASP A 2 11.069 12.973 -8.365 1.00 1.05 C ATOM 18 CG ASP A 2 11.777 14.255 -7.929 1.00 2.05 C ATOM 19 OD1 ASP A 2 12.893 14.473 -8.373 1.00 3.29 O ATOM 20 OD2 ASP A 2 11.192 14.999 -7.158 1.00 1.89 O ATOM 0 H ASP A 2 11.934 12.991 -10.750 1.00 1.19 H new ATOM 0 HA ASP A 2 12.938 11.923 -8.190 1.00 1.09 H new ATOM 0 HB2 ASP A 2 10.340 13.195 -9.144 1.00 1.05 H new ATOM 0 HB3 ASP A 2 10.519 12.546 -7.526 1.00 1.05 H new ATOM 25 N GLN A 3 11.706 9.930 -10.055 1.00 0.80 N ATOM 26 CA GLN A 3 11.108 8.569 -10.242 1.00 0.64 C ATOM 27 C GLN A 3 11.563 7.652 -9.109 1.00 0.62 C ATOM 28 O GLN A 3 12.658 7.772 -8.595 1.00 0.85 O ATOM 29 CB GLN A 3 11.521 7.953 -11.588 1.00 0.98 C ATOM 30 CG GLN A 3 10.935 8.789 -12.722 1.00 1.18 C ATOM 31 CD GLN A 3 11.454 8.266 -14.061 1.00 1.65 C ATOM 32 OE1 GLN A 3 12.601 8.467 -14.403 1.00 1.18 O ATOM 33 NE2 GLN A 3 10.648 7.596 -14.842 1.00 2.73 N ATOM 0 H GLN A 3 12.303 10.253 -10.817 1.00 0.80 H new ATOM 0 HA GLN A 3 10.023 8.673 -10.232 1.00 0.64 H new ATOM 0 HB2 GLN A 3 12.608 7.920 -11.668 1.00 0.98 H new ATOM 0 HB3 GLN A 3 11.165 6.925 -11.656 1.00 0.98 H new ATOM 0 HG2 GLN A 3 9.846 8.741 -12.698 1.00 1.18 H new ATOM 0 HG3 GLN A 3 11.211 9.836 -12.597 1.00 1.18 H new ATOM 0 HE21 GLN A 3 9.684 7.427 -14.555 1.00 2.73 H new ATOM 0 HE22 GLN A 3 10.983 7.242 -15.738 1.00 2.73 H new ATOM 42 N LEU A 4 10.723 6.737 -8.718 1.00 0.38 N ATOM 43 CA LEU A 4 11.089 5.804 -7.616 1.00 0.33 C ATOM 44 C LEU A 4 12.325 4.998 -8.017 1.00 0.44 C ATOM 45 O LEU A 4 12.355 4.363 -9.051 1.00 0.51 O ATOM 46 CB LEU A 4 9.920 4.849 -7.350 1.00 0.17 C ATOM 47 CG LEU A 4 8.673 5.645 -6.919 1.00 0.06 C ATOM 48 CD1 LEU A 4 7.415 4.816 -7.179 1.00 0.14 C ATOM 49 CD2 LEU A 4 8.747 5.976 -5.423 1.00 0.15 C ATOM 0 H LEU A 4 9.795 6.594 -9.115 1.00 0.38 H new ATOM 0 HA LEU A 4 11.307 6.375 -6.713 1.00 0.33 H new ATOM 0 HB2 LEU A 4 9.700 4.272 -8.248 1.00 0.17 H new ATOM 0 HB3 LEU A 4 10.193 4.136 -6.572 1.00 0.17 H new ATOM 0 HG LEU A 4 8.635 6.569 -7.495 1.00 0.06 H new ATOM 0 HD11 LEU A 4 6.536 5.383 -6.873 1.00 0.14 H new ATOM 0 HD12 LEU A 4 7.345 4.584 -8.242 1.00 0.14 H new ATOM 0 HD13 LEU A 4 7.466 3.889 -6.608 1.00 0.14 H new ATOM 0 HD21 LEU A 4 7.860 6.539 -5.131 1.00 0.15 H new ATOM 0 HD22 LEU A 4 8.796 5.051 -4.848 1.00 0.15 H new ATOM 0 HD23 LEU A 4 9.637 6.574 -5.226 1.00 0.15 H new ATOM 61 N THR A 5 13.347 5.018 -7.206 1.00 0.51 N ATOM 62 CA THR A 5 14.583 4.256 -7.541 1.00 0.61 C ATOM 63 C THR A 5 14.316 2.756 -7.390 1.00 0.55 C ATOM 64 O THR A 5 13.390 2.346 -6.720 1.00 0.47 O ATOM 65 CB THR A 5 15.711 4.672 -6.594 1.00 0.70 C ATOM 66 OG1 THR A 5 15.218 4.721 -5.262 1.00 0.62 O ATOM 67 CG2 THR A 5 16.233 6.052 -6.999 1.00 0.90 C ATOM 0 H THR A 5 13.379 5.530 -6.324 1.00 0.51 H new ATOM 0 HA THR A 5 14.874 4.471 -8.569 1.00 0.61 H new ATOM 0 HB THR A 5 16.522 3.946 -6.653 1.00 0.70 H new ATOM 0 HG1 THR A 5 15.941 4.986 -4.655 1.00 0.62 H new ATOM 0 HG21 THR A 5 17.036 6.349 -6.325 1.00 0.90 H new ATOM 0 HG22 THR A 5 16.612 6.012 -8.020 1.00 0.90 H new ATOM 0 HG23 THR A 5 15.423 6.779 -6.941 1.00 0.90 H new ATOM 75 N GLU A 6 15.121 1.935 -8.008 1.00 0.61 N ATOM 76 CA GLU A 6 14.911 0.465 -7.896 1.00 0.57 C ATOM 77 C GLU A 6 14.927 0.063 -6.421 1.00 0.50 C ATOM 78 O GLU A 6 14.237 -0.846 -6.006 1.00 0.43 O ATOM 79 CB GLU A 6 16.024 -0.267 -8.643 1.00 0.66 C ATOM 80 CG GLU A 6 17.353 0.026 -7.962 1.00 1.48 C ATOM 81 CD GLU A 6 18.505 -0.430 -8.861 1.00 1.62 C ATOM 82 OE1 GLU A 6 18.790 -1.617 -8.868 1.00 2.18 O ATOM 83 OE2 GLU A 6 19.083 0.415 -9.524 1.00 1.76 O ATOM 0 H GLU A 6 15.913 2.219 -8.584 1.00 0.61 H new ATOM 0 HA GLU A 6 13.949 0.197 -8.334 1.00 0.57 H new ATOM 0 HB2 GLU A 6 15.832 -1.340 -8.648 1.00 0.66 H new ATOM 0 HB3 GLU A 6 16.055 0.056 -9.684 1.00 0.66 H new ATOM 0 HG2 GLU A 6 17.440 1.093 -7.756 1.00 1.48 H new ATOM 0 HG3 GLU A 6 17.402 -0.489 -7.002 1.00 1.48 H new ATOM 90 N GLU A 7 15.711 0.735 -5.624 1.00 0.53 N ATOM 91 CA GLU A 7 15.772 0.393 -4.175 1.00 0.48 C ATOM 92 C GLU A 7 14.454 0.785 -3.503 1.00 0.40 C ATOM 93 O GLU A 7 13.828 -0.016 -2.839 1.00 0.37 O ATOM 94 CB GLU A 7 16.927 1.152 -3.519 1.00 0.57 C ATOM 95 CG GLU A 7 18.251 0.720 -4.155 1.00 0.65 C ATOM 96 CD GLU A 7 19.386 1.586 -3.608 1.00 0.89 C ATOM 97 OE1 GLU A 7 19.090 2.591 -2.982 1.00 1.52 O ATOM 98 OE2 GLU A 7 20.534 1.232 -3.823 1.00 1.56 O ATOM 0 H GLU A 7 16.312 1.506 -5.914 1.00 0.53 H new ATOM 0 HA GLU A 7 15.933 -0.679 -4.061 1.00 0.48 H new ATOM 0 HB2 GLU A 7 16.786 2.226 -3.642 1.00 0.57 H new ATOM 0 HB3 GLU A 7 16.944 0.953 -2.447 1.00 0.57 H new ATOM 0 HG2 GLU A 7 18.445 -0.331 -3.939 1.00 0.65 H new ATOM 0 HG3 GLU A 7 18.195 0.818 -5.239 1.00 0.65 H new ATOM 105 N GLN A 8 14.025 2.007 -3.670 1.00 0.39 N ATOM 106 CA GLN A 8 12.746 2.434 -3.036 1.00 0.35 C ATOM 107 C GLN A 8 11.631 1.478 -3.461 1.00 0.26 C ATOM 108 O GLN A 8 10.764 1.135 -2.682 1.00 0.23 O ATOM 109 CB GLN A 8 12.396 3.860 -3.478 1.00 0.39 C ATOM 110 CG GLN A 8 13.259 4.866 -2.712 1.00 0.45 C ATOM 111 CD GLN A 8 12.978 6.277 -3.235 1.00 0.40 C ATOM 112 OE1 GLN A 8 12.464 6.441 -4.324 1.00 0.39 O ATOM 113 NE2 GLN A 8 13.291 7.309 -2.499 1.00 0.43 N ATOM 0 H GLN A 8 14.503 2.725 -4.215 1.00 0.39 H new ATOM 0 HA GLN A 8 12.854 2.414 -1.952 1.00 0.35 H new ATOM 0 HB2 GLN A 8 12.559 3.969 -4.550 1.00 0.39 H new ATOM 0 HB3 GLN A 8 11.340 4.059 -3.295 1.00 0.39 H new ATOM 0 HG2 GLN A 8 13.041 4.811 -1.645 1.00 0.45 H new ATOM 0 HG3 GLN A 8 14.315 4.624 -2.834 1.00 0.45 H new ATOM 0 HE21 GLN A 8 13.722 7.172 -1.585 1.00 0.43 H new ATOM 0 HE22 GLN A 8 13.104 8.253 -2.838 1.00 0.43 H new ATOM 122 N ILE A 9 11.647 1.040 -4.691 1.00 0.24 N ATOM 123 CA ILE A 9 10.587 0.104 -5.157 1.00 0.20 C ATOM 124 C ILE A 9 10.759 -1.240 -4.450 1.00 0.20 C ATOM 125 O ILE A 9 9.798 -1.917 -4.142 1.00 0.21 O ATOM 126 CB ILE A 9 10.706 -0.097 -6.670 1.00 0.24 C ATOM 127 CG1 ILE A 9 10.434 1.230 -7.382 1.00 0.22 C ATOM 128 CG2 ILE A 9 9.681 -1.141 -7.124 1.00 0.30 C ATOM 129 CD1 ILE A 9 10.753 1.089 -8.872 1.00 0.28 C ATOM 0 H ILE A 9 12.346 1.290 -5.390 1.00 0.24 H new ATOM 0 HA ILE A 9 9.606 0.519 -4.926 1.00 0.20 H new ATOM 0 HB ILE A 9 11.710 -0.441 -6.916 1.00 0.24 H new ATOM 0 HG12 ILE A 9 9.391 1.518 -7.249 1.00 0.22 H new ATOM 0 HG13 ILE A 9 11.042 2.021 -6.943 1.00 0.22 H new ATOM 0 HG21 ILE A 9 9.763 -1.287 -8.201 1.00 0.30 H new ATOM 0 HG22 ILE A 9 9.873 -2.085 -6.614 1.00 0.30 H new ATOM 0 HG23 ILE A 9 8.677 -0.795 -6.880 1.00 0.30 H new ATOM 0 HD11 ILE A 9 10.558 2.035 -9.377 1.00 0.28 H new ATOM 0 HD12 ILE A 9 11.802 0.821 -8.996 1.00 0.28 H new ATOM 0 HD13 ILE A 9 10.126 0.310 -9.306 1.00 0.28 H new ATOM 141 N ALA A 10 11.975 -1.630 -4.188 1.00 0.21 N ATOM 142 CA ALA A 10 12.202 -2.928 -3.501 1.00 0.22 C ATOM 143 C ALA A 10 11.781 -2.809 -2.034 1.00 0.21 C ATOM 144 O ALA A 10 11.142 -3.688 -1.495 1.00 0.29 O ATOM 145 CB ALA A 10 13.687 -3.313 -3.600 1.00 0.25 C ATOM 0 H ALA A 10 12.819 -1.106 -4.420 1.00 0.21 H new ATOM 0 HA ALA A 10 11.605 -3.705 -3.979 1.00 0.22 H new ATOM 0 HB1 ALA A 10 13.850 -4.265 -3.095 1.00 0.25 H new ATOM 0 HB2 ALA A 10 13.970 -3.405 -4.649 1.00 0.25 H new ATOM 0 HB3 ALA A 10 14.295 -2.542 -3.126 1.00 0.25 H new ATOM 151 N GLU A 11 12.122 -1.731 -1.378 1.00 0.16 N ATOM 152 CA GLU A 11 11.732 -1.581 0.047 1.00 0.18 C ATOM 153 C GLU A 11 10.233 -1.842 0.193 1.00 0.13 C ATOM 154 O GLU A 11 9.807 -2.662 0.981 1.00 0.13 O ATOM 155 CB GLU A 11 12.068 -0.141 0.503 1.00 0.25 C ATOM 156 CG GLU A 11 12.939 -0.162 1.760 1.00 0.67 C ATOM 157 CD GLU A 11 12.228 -0.948 2.863 1.00 1.87 C ATOM 158 OE1 GLU A 11 11.082 -0.636 3.142 1.00 2.54 O ATOM 159 OE2 GLU A 11 12.841 -1.849 3.411 1.00 3.13 O ATOM 0 H GLU A 11 12.652 -0.952 -1.769 1.00 0.16 H new ATOM 0 HA GLU A 11 12.276 -2.296 0.665 1.00 0.18 H new ATOM 0 HB2 GLU A 11 12.587 0.387 -0.297 1.00 0.25 H new ATOM 0 HB3 GLU A 11 11.147 0.407 0.702 1.00 0.25 H new ATOM 0 HG2 GLU A 11 13.904 -0.618 1.539 1.00 0.67 H new ATOM 0 HG3 GLU A 11 13.137 0.856 2.095 1.00 0.67 H new ATOM 166 N PHE A 12 9.438 -1.144 -0.557 1.00 0.17 N ATOM 167 CA PHE A 12 7.970 -1.345 -0.458 1.00 0.20 C ATOM 168 C PHE A 12 7.623 -2.760 -0.917 1.00 0.20 C ATOM 169 O PHE A 12 6.636 -3.330 -0.495 1.00 0.22 O ATOM 170 CB PHE A 12 7.243 -0.333 -1.345 1.00 0.28 C ATOM 171 CG PHE A 12 7.813 1.071 -1.191 1.00 0.23 C ATOM 172 CD1 PHE A 12 8.411 1.505 0.012 1.00 0.47 C ATOM 173 CD2 PHE A 12 7.719 1.958 -2.274 1.00 0.28 C ATOM 174 CE1 PHE A 12 8.901 2.813 0.115 1.00 0.49 C ATOM 175 CE2 PHE A 12 8.212 3.260 -2.167 1.00 0.28 C ATOM 176 CZ PHE A 12 8.801 3.689 -0.973 1.00 0.27 C ATOM 0 H PHE A 12 9.738 -0.443 -1.234 1.00 0.17 H new ATOM 0 HA PHE A 12 7.657 -1.204 0.577 1.00 0.20 H new ATOM 0 HB2 PHE A 12 7.319 -0.643 -2.387 1.00 0.28 H new ATOM 0 HB3 PHE A 12 6.183 -0.324 -1.092 1.00 0.28 H new ATOM 0 HD1 PHE A 12 8.490 0.830 0.851 1.00 0.47 H new ATOM 0 HD2 PHE A 12 7.262 1.632 -3.197 1.00 0.28 H new ATOM 0 HE1 PHE A 12 9.357 3.147 1.035 1.00 0.49 H new ATOM 0 HE2 PHE A 12 8.139 3.936 -3.006 1.00 0.28 H new ATOM 0 HZ PHE A 12 9.179 4.697 -0.890 1.00 0.27 H new ATOM 186 N LYS A 13 8.415 -3.336 -1.775 1.00 0.19 N ATOM 187 CA LYS A 13 8.105 -4.712 -2.245 1.00 0.20 C ATOM 188 C LYS A 13 8.246 -5.692 -1.081 1.00 0.17 C ATOM 189 O LYS A 13 7.413 -6.554 -0.888 1.00 0.17 O ATOM 190 CB LYS A 13 9.061 -5.110 -3.372 1.00 0.21 C ATOM 191 CG LYS A 13 8.691 -6.512 -3.904 1.00 0.32 C ATOM 192 CD LYS A 13 9.133 -6.659 -5.374 1.00 0.28 C ATOM 193 CE LYS A 13 8.036 -6.135 -6.307 1.00 0.44 C ATOM 194 NZ LYS A 13 8.584 -5.993 -7.685 1.00 1.27 N ATOM 0 H LYS A 13 9.258 -2.917 -2.169 1.00 0.19 H new ATOM 0 HA LYS A 13 7.083 -4.739 -2.622 1.00 0.20 H new ATOM 0 HB2 LYS A 13 9.009 -4.380 -4.180 1.00 0.21 H new ATOM 0 HB3 LYS A 13 10.088 -5.109 -3.007 1.00 0.21 H new ATOM 0 HG2 LYS A 13 9.170 -7.278 -3.294 1.00 0.32 H new ATOM 0 HG3 LYS A 13 7.615 -6.667 -3.823 1.00 0.32 H new ATOM 0 HD2 LYS A 13 10.058 -6.107 -5.541 1.00 0.28 H new ATOM 0 HD3 LYS A 13 9.342 -7.705 -5.597 1.00 0.28 H new ATOM 0 HE2 LYS A 13 7.188 -6.820 -6.310 1.00 0.44 H new ATOM 0 HE3 LYS A 13 7.668 -5.173 -5.949 1.00 0.44 H new ATOM 0 HZ1 LYS A 13 7.841 -5.637 -8.319 1.00 1.27 H new ATOM 0 HZ2 LYS A 13 9.380 -5.324 -7.675 1.00 1.27 H new ATOM 0 HZ3 LYS A 13 8.915 -6.919 -8.024 1.00 1.27 H new ATOM 208 N GLU A 14 9.287 -5.574 -0.297 1.00 0.12 N ATOM 209 CA GLU A 14 9.442 -6.518 0.849 1.00 0.08 C ATOM 210 C GLU A 14 8.285 -6.305 1.822 1.00 0.07 C ATOM 211 O GLU A 14 7.672 -7.241 2.297 1.00 0.06 O ATOM 212 CB GLU A 14 10.769 -6.267 1.575 1.00 0.03 C ATOM 213 CG GLU A 14 11.897 -6.060 0.556 1.00 0.13 C ATOM 214 CD GLU A 14 13.251 -6.375 1.203 1.00 0.62 C ATOM 215 OE1 GLU A 14 13.719 -5.559 1.978 1.00 1.91 O ATOM 216 OE2 GLU A 14 13.793 -7.428 0.912 1.00 0.65 O ATOM 0 H GLU A 14 10.025 -4.877 -0.398 1.00 0.12 H new ATOM 0 HA GLU A 14 9.438 -7.541 0.474 1.00 0.08 H new ATOM 0 HB2 GLU A 14 10.682 -5.389 2.216 1.00 0.03 H new ATOM 0 HB3 GLU A 14 11.004 -7.112 2.222 1.00 0.03 H new ATOM 0 HG2 GLU A 14 11.739 -6.704 -0.309 1.00 0.13 H new ATOM 0 HG3 GLU A 14 11.888 -5.032 0.194 1.00 0.13 H new ATOM 223 N ALA A 15 7.987 -5.075 2.122 1.00 0.07 N ATOM 224 CA ALA A 15 6.872 -4.786 3.067 1.00 0.07 C ATOM 225 C ALA A 15 5.546 -5.244 2.455 1.00 0.10 C ATOM 226 O ALA A 15 4.605 -5.569 3.151 1.00 0.12 O ATOM 227 CB ALA A 15 6.812 -3.282 3.343 1.00 0.11 C ATOM 0 H ALA A 15 8.467 -4.254 1.754 1.00 0.07 H new ATOM 0 HA ALA A 15 7.044 -5.321 4.001 1.00 0.07 H new ATOM 0 HB1 ALA A 15 5.996 -3.071 4.034 1.00 0.11 H new ATOM 0 HB2 ALA A 15 7.754 -2.955 3.783 1.00 0.11 H new ATOM 0 HB3 ALA A 15 6.643 -2.747 2.408 1.00 0.11 H new ATOM 233 N PHE A 16 5.462 -5.258 1.155 1.00 0.11 N ATOM 234 CA PHE A 16 4.198 -5.681 0.486 1.00 0.14 C ATOM 235 C PHE A 16 4.070 -7.207 0.499 1.00 0.14 C ATOM 236 O PHE A 16 3.010 -7.746 0.750 1.00 0.16 O ATOM 237 CB PHE A 16 4.213 -5.183 -0.956 1.00 0.20 C ATOM 238 CG PHE A 16 2.850 -5.365 -1.574 1.00 0.19 C ATOM 239 CD1 PHE A 16 1.899 -4.343 -1.479 1.00 0.19 C ATOM 240 CD2 PHE A 16 2.543 -6.552 -2.253 1.00 0.19 C ATOM 241 CE1 PHE A 16 0.640 -4.506 -2.063 1.00 0.18 C ATOM 242 CE2 PHE A 16 1.284 -6.712 -2.840 1.00 0.18 C ATOM 243 CZ PHE A 16 0.334 -5.687 -2.743 1.00 0.18 C ATOM 0 H PHE A 16 6.217 -4.994 0.523 1.00 0.11 H new ATOM 0 HA PHE A 16 3.349 -5.257 1.022 1.00 0.14 H new ATOM 0 HB2 PHE A 16 4.497 -4.131 -0.984 1.00 0.20 H new ATOM 0 HB3 PHE A 16 4.959 -5.731 -1.532 1.00 0.20 H new ATOM 0 HD1 PHE A 16 2.138 -3.429 -0.955 1.00 0.19 H new ATOM 0 HD2 PHE A 16 3.277 -7.341 -2.323 1.00 0.19 H new ATOM 0 HE1 PHE A 16 -0.096 -3.719 -1.989 1.00 0.18 H new ATOM 0 HE2 PHE A 16 1.045 -7.624 -3.367 1.00 0.18 H new ATOM 0 HZ PHE A 16 -0.639 -5.810 -3.196 1.00 0.18 H new ATOM 253 N SER A 17 5.130 -7.906 0.221 1.00 0.14 N ATOM 254 CA SER A 17 5.060 -9.393 0.204 1.00 0.19 C ATOM 255 C SER A 17 4.905 -9.934 1.629 1.00 0.14 C ATOM 256 O SER A 17 4.486 -11.056 1.829 1.00 0.13 O ATOM 257 CB SER A 17 6.339 -9.952 -0.419 1.00 0.25 C ATOM 258 OG SER A 17 6.526 -9.376 -1.705 1.00 1.61 O ATOM 0 H SER A 17 6.046 -7.512 0.004 1.00 0.14 H new ATOM 0 HA SER A 17 4.197 -9.702 -0.385 1.00 0.19 H new ATOM 0 HB2 SER A 17 7.195 -9.731 0.219 1.00 0.25 H new ATOM 0 HB3 SER A 17 6.274 -11.037 -0.500 1.00 0.25 H new ATOM 0 HG SER A 17 6.833 -8.450 -1.607 1.00 1.61 H new ATOM 264 N LEU A 18 5.243 -9.156 2.623 1.00 0.19 N ATOM 265 CA LEU A 18 5.112 -9.651 4.023 1.00 0.16 C ATOM 266 C LEU A 18 3.651 -10.028 4.297 1.00 0.16 C ATOM 267 O LEU A 18 3.363 -10.780 5.206 1.00 0.17 O ATOM 268 CB LEU A 18 5.558 -8.547 5.014 1.00 0.15 C ATOM 269 CG LEU A 18 7.057 -8.684 5.357 1.00 0.15 C ATOM 270 CD1 LEU A 18 7.486 -7.500 6.244 1.00 0.18 C ATOM 271 CD2 LEU A 18 7.320 -10.013 6.109 1.00 0.21 C ATOM 0 H LEU A 18 5.602 -8.206 2.527 1.00 0.19 H new ATOM 0 HA LEU A 18 5.745 -10.528 4.156 1.00 0.16 H new ATOM 0 HB2 LEU A 18 5.369 -7.565 4.580 1.00 0.15 H new ATOM 0 HB3 LEU A 18 4.965 -8.611 5.926 1.00 0.15 H new ATOM 0 HG LEU A 18 7.633 -8.684 4.432 1.00 0.15 H new ATOM 0 HD11 LEU A 18 8.544 -7.593 6.488 1.00 0.18 H new ATOM 0 HD12 LEU A 18 7.318 -6.565 5.709 1.00 0.18 H new ATOM 0 HD13 LEU A 18 6.900 -7.503 7.163 1.00 0.18 H new ATOM 0 HD21 LEU A 18 8.381 -10.094 6.344 1.00 0.21 H new ATOM 0 HD22 LEU A 18 6.742 -10.029 7.033 1.00 0.21 H new ATOM 0 HD23 LEU A 18 7.022 -10.852 5.480 1.00 0.21 H new ATOM 283 N PHE A 19 2.729 -9.496 3.529 1.00 0.16 N ATOM 284 CA PHE A 19 1.277 -9.804 3.753 1.00 0.16 C ATOM 285 C PHE A 19 0.672 -10.436 2.498 1.00 0.15 C ATOM 286 O PHE A 19 -0.528 -10.446 2.314 1.00 0.16 O ATOM 287 CB PHE A 19 0.555 -8.501 4.084 1.00 0.17 C ATOM 288 CG PHE A 19 1.211 -7.894 5.297 1.00 0.17 C ATOM 289 CD1 PHE A 19 2.397 -7.163 5.158 1.00 0.17 C ATOM 290 CD2 PHE A 19 0.647 -8.077 6.563 1.00 0.17 C ATOM 291 CE1 PHE A 19 3.017 -6.610 6.285 1.00 0.17 C ATOM 292 CE2 PHE A 19 1.263 -7.523 7.690 1.00 0.18 C ATOM 293 CZ PHE A 19 2.449 -6.789 7.552 1.00 0.18 C ATOM 0 H PHE A 19 2.919 -8.860 2.754 1.00 0.16 H new ATOM 0 HA PHE A 19 1.169 -10.510 4.576 1.00 0.16 H new ATOM 0 HB2 PHE A 19 0.606 -7.813 3.240 1.00 0.17 H new ATOM 0 HB3 PHE A 19 -0.501 -8.690 4.278 1.00 0.17 H new ATOM 0 HD1 PHE A 19 2.834 -7.025 4.180 1.00 0.17 H new ATOM 0 HD2 PHE A 19 -0.264 -8.646 6.671 1.00 0.17 H new ATOM 0 HE1 PHE A 19 3.932 -6.046 6.177 1.00 0.17 H new ATOM 0 HE2 PHE A 19 0.824 -7.661 8.667 1.00 0.18 H new ATOM 0 HZ PHE A 19 2.924 -6.362 8.423 1.00 0.18 H new ATOM 303 N ASP A 20 1.498 -10.983 1.642 1.00 0.14 N ATOM 304 CA ASP A 20 0.985 -11.642 0.398 1.00 0.14 C ATOM 305 C ASP A 20 1.000 -13.161 0.600 1.00 0.19 C ATOM 306 O ASP A 20 1.794 -13.867 0.009 1.00 0.26 O ATOM 307 CB ASP A 20 1.895 -11.279 -0.781 1.00 0.20 C ATOM 308 CG ASP A 20 1.342 -11.906 -2.062 1.00 0.30 C ATOM 309 OD1 ASP A 20 0.145 -12.138 -2.119 1.00 1.15 O ATOM 310 OD2 ASP A 20 2.127 -12.143 -2.968 1.00 1.06 O ATOM 0 H ASP A 20 2.512 -11.002 1.751 1.00 0.14 H new ATOM 0 HA ASP A 20 -0.030 -11.304 0.191 1.00 0.14 H new ATOM 0 HB2 ASP A 20 1.954 -10.196 -0.889 1.00 0.20 H new ATOM 0 HB3 ASP A 20 2.908 -11.636 -0.596 1.00 0.20 H new ATOM 315 N LYS A 21 0.143 -13.670 1.446 1.00 0.23 N ATOM 316 CA LYS A 21 0.121 -15.143 1.709 1.00 0.34 C ATOM 317 C LYS A 21 -0.589 -15.884 0.576 1.00 0.34 C ATOM 318 O LYS A 21 -0.745 -17.089 0.611 1.00 0.40 O ATOM 319 CB LYS A 21 -0.627 -15.407 3.010 1.00 0.41 C ATOM 320 CG LYS A 21 0.087 -14.713 4.176 1.00 0.47 C ATOM 321 CD LYS A 21 1.357 -15.487 4.567 1.00 0.62 C ATOM 322 CE LYS A 21 1.801 -15.074 5.975 1.00 0.67 C ATOM 323 NZ LYS A 21 2.958 -15.916 6.398 1.00 1.73 N ATOM 0 H LYS A 21 -0.546 -13.129 1.969 1.00 0.23 H new ATOM 0 HA LYS A 21 1.149 -15.500 1.778 1.00 0.34 H new ATOM 0 HB2 LYS A 21 -1.651 -15.042 2.931 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -0.684 -16.480 3.195 1.00 0.41 H new ATOM 0 HG2 LYS A 21 0.348 -13.693 3.895 1.00 0.47 H new ATOM 0 HG3 LYS A 21 -0.584 -14.646 5.033 1.00 0.47 H new ATOM 0 HD2 LYS A 21 1.165 -16.559 4.536 1.00 0.62 H new ATOM 0 HD3 LYS A 21 2.153 -15.285 3.850 1.00 0.62 H new ATOM 0 HE2 LYS A 21 2.081 -14.021 5.985 1.00 0.67 H new ATOM 0 HE3 LYS A 21 0.976 -15.191 6.677 1.00 0.67 H new ATOM 0 HZ1 LYS A 21 3.260 -15.637 7.353 1.00 1.73 H new ATOM 0 HZ2 LYS A 21 2.675 -16.917 6.403 1.00 1.73 H new ATOM 0 HZ3 LYS A 21 3.746 -15.782 5.733 1.00 1.73 H new ATOM 337 N ASP A 22 -1.021 -15.174 -0.415 1.00 0.27 N ATOM 338 CA ASP A 22 -1.737 -15.816 -1.562 1.00 0.26 C ATOM 339 C ASP A 22 -0.767 -16.001 -2.732 1.00 0.31 C ATOM 340 O ASP A 22 -1.146 -16.435 -3.803 1.00 0.34 O ATOM 341 CB ASP A 22 -2.891 -14.914 -2.001 1.00 0.18 C ATOM 342 CG ASP A 22 -3.732 -14.533 -0.780 1.00 0.20 C ATOM 343 OD1 ASP A 22 -3.251 -13.757 0.028 1.00 1.39 O ATOM 344 OD2 ASP A 22 -4.845 -15.025 -0.675 1.00 0.92 O ATOM 0 H ASP A 22 -0.912 -14.163 -0.490 1.00 0.27 H new ATOM 0 HA ASP A 22 -2.123 -16.787 -1.254 1.00 0.26 H new ATOM 0 HB2 ASP A 22 -2.503 -14.017 -2.483 1.00 0.18 H new ATOM 0 HB3 ASP A 22 -3.510 -15.428 -2.736 1.00 0.18 H new ATOM 349 N GLY A 23 0.486 -15.681 -2.537 1.00 0.32 N ATOM 350 CA GLY A 23 1.480 -15.842 -3.635 1.00 0.37 C ATOM 351 C GLY A 23 0.921 -15.229 -4.916 1.00 0.37 C ATOM 352 O GLY A 23 1.351 -15.542 -6.008 1.00 0.42 O ATOM 0 H GLY A 23 0.862 -15.315 -1.663 1.00 0.32 H new ATOM 0 HA2 GLY A 23 2.418 -15.357 -3.366 1.00 0.37 H new ATOM 0 HA3 GLY A 23 1.700 -16.898 -3.790 1.00 0.37 H new ATOM 356 N ASP A 24 -0.042 -14.357 -4.784 1.00 0.32 N ATOM 357 CA ASP A 24 -0.653 -13.710 -5.986 1.00 0.33 C ATOM 358 C ASP A 24 -0.058 -12.315 -6.177 1.00 0.32 C ATOM 359 O ASP A 24 -0.400 -11.607 -7.104 1.00 0.34 O ATOM 360 CB ASP A 24 -2.165 -13.590 -5.781 1.00 0.31 C ATOM 361 CG ASP A 24 -2.822 -13.140 -7.088 1.00 0.42 C ATOM 362 OD1 ASP A 24 -2.374 -13.578 -8.135 1.00 0.84 O ATOM 363 OD2 ASP A 24 -3.761 -12.363 -7.017 1.00 1.39 O ATOM 0 H ASP A 24 -0.436 -14.062 -3.890 1.00 0.32 H new ATOM 0 HA ASP A 24 -0.447 -14.316 -6.868 1.00 0.33 H new ATOM 0 HB2 ASP A 24 -2.577 -14.548 -5.465 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -2.380 -12.874 -4.988 1.00 0.31 H new ATOM 368 N GLY A 25 0.828 -11.909 -5.310 1.00 0.29 N ATOM 369 CA GLY A 25 1.436 -10.556 -5.454 1.00 0.28 C ATOM 370 C GLY A 25 0.402 -9.487 -5.079 1.00 0.26 C ATOM 371 O GLY A 25 0.452 -8.376 -5.568 1.00 0.27 O ATOM 0 H GLY A 25 1.156 -12.452 -4.512 1.00 0.29 H new ATOM 0 HA2 GLY A 25 2.313 -10.470 -4.812 1.00 0.28 H new ATOM 0 HA3 GLY A 25 1.775 -10.405 -6.479 1.00 0.28 H new ATOM 375 N THR A 26 -0.541 -9.809 -4.216 1.00 0.24 N ATOM 376 CA THR A 26 -1.576 -8.805 -3.813 1.00 0.22 C ATOM 377 C THR A 26 -1.827 -8.892 -2.308 1.00 0.19 C ATOM 378 O THR A 26 -1.401 -9.818 -1.647 1.00 0.20 O ATOM 379 CB THR A 26 -2.885 -9.085 -4.555 1.00 0.22 C ATOM 380 OG1 THR A 26 -3.403 -10.344 -4.145 1.00 0.21 O ATOM 381 CG2 THR A 26 -2.631 -9.099 -6.063 1.00 0.28 C ATOM 0 H THR A 26 -0.635 -10.724 -3.776 1.00 0.24 H new ATOM 0 HA THR A 26 -1.216 -7.808 -4.066 1.00 0.22 H new ATOM 0 HB THR A 26 -3.607 -8.303 -4.321 1.00 0.22 H new ATOM 0 HG1 THR A 26 -4.242 -10.523 -4.619 1.00 0.21 H new ATOM 0 HG21 THR A 26 -3.565 -9.299 -6.588 1.00 0.28 H new ATOM 0 HG22 THR A 26 -2.239 -8.131 -6.375 1.00 0.28 H new ATOM 0 HG23 THR A 26 -1.907 -9.878 -6.303 1.00 0.28 H new ATOM 389 N ILE A 27 -2.529 -7.931 -1.762 1.00 0.16 N ATOM 390 CA ILE A 27 -2.832 -7.942 -0.298 1.00 0.12 C ATOM 391 C ILE A 27 -4.270 -7.466 -0.096 1.00 0.08 C ATOM 392 O ILE A 27 -4.866 -6.885 -0.981 1.00 0.10 O ATOM 393 CB ILE A 27 -1.864 -7.006 0.440 1.00 0.13 C ATOM 394 CG1 ILE A 27 -2.000 -5.574 -0.104 1.00 0.15 C ATOM 395 CG2 ILE A 27 -0.425 -7.499 0.234 1.00 0.19 C ATOM 396 CD1 ILE A 27 -1.088 -4.635 0.687 1.00 0.18 C ATOM 0 H ILE A 27 -2.908 -7.133 -2.272 1.00 0.16 H new ATOM 0 HA ILE A 27 -2.715 -8.950 0.100 1.00 0.12 H new ATOM 0 HB ILE A 27 -2.104 -7.006 1.503 1.00 0.13 H new ATOM 0 HG12 ILE A 27 -1.735 -5.549 -1.161 1.00 0.15 H new ATOM 0 HG13 ILE A 27 -3.035 -5.242 -0.027 1.00 0.15 H new ATOM 0 HG21 ILE A 27 0.265 -6.837 0.757 1.00 0.19 H new ATOM 0 HG22 ILE A 27 -0.327 -8.510 0.629 1.00 0.19 H new ATOM 0 HG23 ILE A 27 -0.190 -7.501 -0.830 1.00 0.19 H new ATOM 0 HD11 ILE A 27 -1.186 -3.621 0.300 1.00 0.18 H new ATOM 0 HD12 ILE A 27 -1.374 -4.651 1.739 1.00 0.18 H new ATOM 0 HD13 ILE A 27 -0.053 -4.963 0.587 1.00 0.18 H new ATOM 408 N THR A 28 -4.838 -7.698 1.057 1.00 0.02 N ATOM 409 CA THR A 28 -6.239 -7.246 1.293 1.00 0.03 C ATOM 410 C THR A 28 -6.243 -5.819 1.826 1.00 0.06 C ATOM 411 O THR A 28 -5.228 -5.289 2.230 1.00 0.05 O ATOM 412 CB THR A 28 -6.915 -8.140 2.324 1.00 0.05 C ATOM 413 OG1 THR A 28 -6.599 -7.679 3.631 1.00 0.06 O ATOM 414 CG2 THR A 28 -6.432 -9.578 2.163 1.00 0.06 C ATOM 0 H THR A 28 -4.396 -8.178 1.841 1.00 0.02 H new ATOM 0 HA THR A 28 -6.777 -7.297 0.346 1.00 0.03 H new ATOM 0 HB THR A 28 -7.994 -8.106 2.174 1.00 0.05 H new ATOM 0 HG1 THR A 28 -6.898 -8.338 4.292 1.00 0.06 H new ATOM 0 HG21 THR A 28 -6.920 -10.211 2.904 1.00 0.06 H new ATOM 0 HG22 THR A 28 -6.678 -9.935 1.163 1.00 0.06 H new ATOM 0 HG23 THR A 28 -5.352 -9.617 2.307 1.00 0.06 H new ATOM 422 N THR A 29 -7.388 -5.201 1.847 1.00 0.11 N ATOM 423 CA THR A 29 -7.476 -3.818 2.376 1.00 0.14 C ATOM 424 C THR A 29 -7.310 -3.851 3.897 1.00 0.16 C ATOM 425 O THR A 29 -6.818 -2.917 4.498 1.00 0.17 O ATOM 426 CB THR A 29 -8.849 -3.240 2.020 1.00 0.15 C ATOM 427 OG1 THR A 29 -9.844 -4.229 2.243 1.00 0.15 O ATOM 428 CG2 THR A 29 -8.872 -2.817 0.548 1.00 0.13 C ATOM 0 H THR A 29 -8.269 -5.597 1.519 1.00 0.11 H new ATOM 0 HA THR A 29 -6.692 -3.198 1.941 1.00 0.14 H new ATOM 0 HB THR A 29 -9.047 -2.369 2.644 1.00 0.15 H new ATOM 0 HG1 THR A 29 -10.725 -3.863 2.018 1.00 0.15 H new ATOM 0 HG21 THR A 29 -9.852 -2.407 0.303 1.00 0.13 H new ATOM 0 HG22 THR A 29 -8.108 -2.059 0.375 1.00 0.13 H new ATOM 0 HG23 THR A 29 -8.673 -3.683 -0.083 1.00 0.13 H new ATOM 436 N LYS A 30 -7.722 -4.919 4.523 1.00 0.15 N ATOM 437 CA LYS A 30 -7.596 -5.016 6.005 1.00 0.17 C ATOM 438 C LYS A 30 -6.122 -4.966 6.406 1.00 0.16 C ATOM 439 O LYS A 30 -5.787 -4.577 7.507 1.00 0.18 O ATOM 440 CB LYS A 30 -8.209 -6.333 6.486 1.00 0.16 C ATOM 441 CG LYS A 30 -9.697 -6.366 6.136 1.00 0.20 C ATOM 442 CD LYS A 30 -10.331 -7.631 6.724 1.00 0.53 C ATOM 443 CE LYS A 30 -11.839 -7.617 6.467 1.00 0.75 C ATOM 444 NZ LYS A 30 -12.492 -6.661 7.405 1.00 1.11 N ATOM 0 H LYS A 30 -8.142 -5.731 4.071 1.00 0.15 H new ATOM 0 HA LYS A 30 -8.122 -4.179 6.463 1.00 0.17 H new ATOM 0 HB2 LYS A 30 -7.697 -7.175 6.020 1.00 0.16 H new ATOM 0 HB3 LYS A 30 -8.076 -6.435 7.563 1.00 0.16 H new ATOM 0 HG2 LYS A 30 -10.194 -5.480 6.530 1.00 0.20 H new ATOM 0 HG3 LYS A 30 -9.828 -6.350 5.054 1.00 0.20 H new ATOM 0 HD2 LYS A 30 -9.884 -8.517 6.274 1.00 0.53 H new ATOM 0 HD3 LYS A 30 -10.135 -7.684 7.795 1.00 0.53 H new ATOM 0 HE2 LYS A 30 -12.041 -7.327 5.436 1.00 0.75 H new ATOM 0 HE3 LYS A 30 -12.252 -8.617 6.603 1.00 0.75 H new ATOM 0 HZ1 LYS A 30 -13.522 -6.807 7.389 1.00 1.11 H new ATOM 0 HZ2 LYS A 30 -12.135 -6.821 8.368 1.00 1.11 H new ATOM 0 HZ3 LYS A 30 -12.276 -5.686 7.113 1.00 1.11 H new ATOM 458 N GLU A 31 -5.241 -5.366 5.530 1.00 0.14 N ATOM 459 CA GLU A 31 -3.778 -5.351 5.866 1.00 0.14 C ATOM 460 C GLU A 31 -3.112 -4.117 5.258 1.00 0.15 C ATOM 461 O GLU A 31 -1.901 -4.010 5.235 1.00 0.14 O ATOM 462 CB GLU A 31 -3.113 -6.606 5.299 1.00 0.11 C ATOM 463 CG GLU A 31 -3.846 -7.852 5.799 1.00 0.10 C ATOM 464 CD GLU A 31 -3.308 -9.085 5.070 1.00 0.08 C ATOM 465 OE1 GLU A 31 -3.328 -9.082 3.850 1.00 0.09 O ATOM 466 OE2 GLU A 31 -2.886 -10.010 5.742 1.00 0.12 O ATOM 0 H GLU A 31 -5.466 -5.704 4.594 1.00 0.14 H new ATOM 0 HA GLU A 31 -3.664 -5.326 6.950 1.00 0.14 H new ATOM 0 HB2 GLU A 31 -3.129 -6.576 4.210 1.00 0.11 H new ATOM 0 HB3 GLU A 31 -2.067 -6.643 5.602 1.00 0.11 H new ATOM 0 HG2 GLU A 31 -3.707 -7.962 6.874 1.00 0.10 H new ATOM 0 HG3 GLU A 31 -4.917 -7.752 5.625 1.00 0.10 H new ATOM 473 N LEU A 32 -3.876 -3.183 4.765 1.00 0.19 N ATOM 474 CA LEU A 32 -3.255 -1.971 4.162 1.00 0.21 C ATOM 475 C LEU A 32 -2.604 -1.129 5.264 1.00 0.23 C ATOM 476 O LEU A 32 -1.442 -0.781 5.182 1.00 0.25 O ATOM 477 CB LEU A 32 -4.326 -1.147 3.432 1.00 0.23 C ATOM 478 CG LEU A 32 -3.735 0.185 2.942 1.00 0.25 C ATOM 479 CD1 LEU A 32 -2.467 -0.068 2.116 1.00 0.25 C ATOM 480 CD2 LEU A 32 -4.775 0.906 2.078 1.00 0.26 C ATOM 0 H LEU A 32 -4.896 -3.205 4.753 1.00 0.19 H new ATOM 0 HA LEU A 32 -2.492 -2.272 3.444 1.00 0.21 H new ATOM 0 HB2 LEU A 32 -4.715 -1.713 2.586 1.00 0.23 H new ATOM 0 HB3 LEU A 32 -5.165 -0.956 4.101 1.00 0.23 H new ATOM 0 HG LEU A 32 -3.475 0.801 3.803 1.00 0.25 H new ATOM 0 HD11 LEU A 32 -2.059 0.884 1.775 1.00 0.25 H new ATOM 0 HD12 LEU A 32 -1.728 -0.580 2.732 1.00 0.25 H new ATOM 0 HD13 LEU A 32 -2.712 -0.687 1.253 1.00 0.25 H new ATOM 0 HD21 LEU A 32 -4.363 1.852 1.727 1.00 0.26 H new ATOM 0 HD22 LEU A 32 -5.033 0.282 1.222 1.00 0.26 H new ATOM 0 HD23 LEU A 32 -5.670 1.097 2.670 1.00 0.26 H new ATOM 492 N GLY A 33 -3.335 -0.793 6.294 1.00 0.23 N ATOM 493 CA GLY A 33 -2.743 0.026 7.386 1.00 0.25 C ATOM 494 C GLY A 33 -1.605 -0.752 8.050 1.00 0.26 C ATOM 495 O GLY A 33 -0.690 -0.173 8.599 1.00 0.27 O ATOM 0 H GLY A 33 -4.313 -1.051 6.424 1.00 0.23 H new ATOM 0 HA2 GLY A 33 -2.368 0.968 6.986 1.00 0.25 H new ATOM 0 HA3 GLY A 33 -3.506 0.274 8.123 1.00 0.25 H new ATOM 499 N THR A 34 -1.649 -2.055 8.010 1.00 0.27 N ATOM 500 CA THR A 34 -0.561 -2.848 8.648 1.00 0.28 C ATOM 501 C THR A 34 0.725 -2.689 7.839 1.00 0.29 C ATOM 502 O THR A 34 1.800 -2.544 8.389 1.00 0.31 O ATOM 503 CB THR A 34 -0.961 -4.326 8.706 1.00 0.25 C ATOM 504 OG1 THR A 34 -2.293 -4.436 9.188 1.00 0.30 O ATOM 505 CG2 THR A 34 -0.012 -5.081 9.640 1.00 0.17 C ATOM 0 H THR A 34 -2.386 -2.602 7.566 1.00 0.27 H new ATOM 0 HA THR A 34 -0.396 -2.486 9.663 1.00 0.28 H new ATOM 0 HB THR A 34 -0.899 -4.758 7.707 1.00 0.25 H new ATOM 0 HG1 THR A 34 -2.551 -5.381 9.224 1.00 0.30 H new ATOM 0 HG21 THR A 34 -0.299 -6.132 9.679 1.00 0.17 H new ATOM 0 HG22 THR A 34 1.009 -4.998 9.267 1.00 0.17 H new ATOM 0 HG23 THR A 34 -0.069 -4.652 10.640 1.00 0.17 H new ATOM 513 N VAL A 35 0.629 -2.705 6.541 1.00 0.27 N ATOM 514 CA VAL A 35 1.854 -2.542 5.710 1.00 0.28 C ATOM 515 C VAL A 35 2.401 -1.132 5.916 1.00 0.32 C ATOM 516 O VAL A 35 3.576 -0.937 6.154 1.00 0.32 O ATOM 517 CB VAL A 35 1.507 -2.750 4.234 1.00 0.26 C ATOM 518 CG1 VAL A 35 2.745 -2.484 3.373 1.00 0.28 C ATOM 519 CG2 VAL A 35 1.038 -4.193 4.021 1.00 0.22 C ATOM 0 H VAL A 35 -0.240 -2.823 6.020 1.00 0.27 H new ATOM 0 HA VAL A 35 2.603 -3.277 6.004 1.00 0.28 H new ATOM 0 HB VAL A 35 0.712 -2.061 3.947 1.00 0.26 H new ATOM 0 HG11 VAL A 35 2.496 -2.633 2.322 1.00 0.28 H new ATOM 0 HG12 VAL A 35 3.080 -1.458 3.525 1.00 0.28 H new ATOM 0 HG13 VAL A 35 3.541 -3.172 3.658 1.00 0.28 H new ATOM 0 HG21 VAL A 35 0.790 -4.344 2.970 1.00 0.22 H new ATOM 0 HG22 VAL A 35 1.834 -4.880 4.308 1.00 0.22 H new ATOM 0 HG23 VAL A 35 0.156 -4.383 4.633 1.00 0.22 H new ATOM 529 N MET A 36 1.553 -0.144 5.839 1.00 0.35 N ATOM 530 CA MET A 36 2.019 1.250 6.043 1.00 0.39 C ATOM 531 C MET A 36 2.683 1.358 7.419 1.00 0.39 C ATOM 532 O MET A 36 3.674 2.038 7.590 1.00 0.40 O ATOM 533 CB MET A 36 0.812 2.193 5.975 1.00 0.43 C ATOM 534 CG MET A 36 0.404 2.431 4.511 1.00 0.43 C ATOM 535 SD MET A 36 1.272 3.886 3.872 1.00 0.62 S ATOM 536 CE MET A 36 0.205 4.175 2.440 1.00 0.28 C ATOM 0 H MET A 36 0.557 -0.245 5.643 1.00 0.35 H new ATOM 0 HA MET A 36 2.738 1.523 5.271 1.00 0.39 H new ATOM 0 HB2 MET A 36 -0.024 1.765 6.528 1.00 0.43 H new ATOM 0 HB3 MET A 36 1.056 3.143 6.451 1.00 0.43 H new ATOM 0 HG2 MET A 36 0.646 1.556 3.908 1.00 0.43 H new ATOM 0 HG3 MET A 36 -0.674 2.578 4.442 1.00 0.43 H new ATOM 0 HE1 MET A 36 0.563 5.045 1.889 1.00 0.28 H new ATOM 0 HE2 MET A 36 0.224 3.300 1.790 1.00 0.28 H new ATOM 0 HE3 MET A 36 -0.816 4.354 2.777 1.00 0.28 H new ATOM 546 N ARG A 37 2.137 0.690 8.404 1.00 0.39 N ATOM 547 CA ARG A 37 2.732 0.750 9.771 1.00 0.40 C ATOM 548 C ARG A 37 4.147 0.172 9.744 1.00 0.37 C ATOM 549 O ARG A 37 5.023 0.614 10.461 1.00 0.36 O ATOM 550 CB ARG A 37 1.864 -0.068 10.737 1.00 0.39 C ATOM 551 CG ARG A 37 0.580 0.706 11.089 1.00 0.46 C ATOM 552 CD ARG A 37 0.844 1.705 12.228 1.00 0.96 C ATOM 553 NE ARG A 37 -0.458 2.206 12.750 1.00 2.09 N ATOM 554 CZ ARG A 37 -0.504 2.821 13.901 1.00 2.82 C ATOM 555 NH1 ARG A 37 0.591 3.009 14.586 1.00 2.97 N ATOM 556 NH2 ARG A 37 -1.646 3.247 14.365 1.00 4.14 N ATOM 0 H ARG A 37 1.305 0.106 8.319 1.00 0.39 H new ATOM 0 HA ARG A 37 2.774 1.787 10.103 1.00 0.40 H new ATOM 0 HB2 ARG A 37 1.607 -1.025 10.284 1.00 0.39 H new ATOM 0 HB3 ARG A 37 2.426 -0.286 11.645 1.00 0.39 H new ATOM 0 HG2 ARG A 37 0.217 1.237 10.209 1.00 0.46 H new ATOM 0 HG3 ARG A 37 -0.202 0.007 11.385 1.00 0.46 H new ATOM 0 HD2 ARG A 37 1.409 1.224 13.026 1.00 0.96 H new ATOM 0 HD3 ARG A 37 1.449 2.536 11.866 1.00 0.96 H new ATOM 0 HE ARG A 37 -1.312 2.069 12.209 1.00 2.09 H new ATOM 0 HH11 ARG A 37 1.484 2.675 14.222 1.00 2.97 H new ATOM 0 HH12 ARG A 37 0.554 3.490 15.485 1.00 2.97 H new ATOM 0 HH21 ARG A 37 -2.501 3.100 13.829 1.00 4.14 H new ATOM 0 HH22 ARG A 37 -1.684 3.728 15.264 1.00 4.14 H new ATOM 570 N SER A 38 4.378 -0.819 8.927 1.00 0.36 N ATOM 571 CA SER A 38 5.738 -1.429 8.861 1.00 0.33 C ATOM 572 C SER A 38 6.742 -0.395 8.348 1.00 0.31 C ATOM 573 O SER A 38 7.894 -0.391 8.732 1.00 0.30 O ATOM 574 CB SER A 38 5.709 -2.629 7.914 1.00 0.35 C ATOM 575 OG SER A 38 5.957 -2.185 6.586 1.00 0.33 O ATOM 0 H SER A 38 3.685 -1.233 8.303 1.00 0.36 H new ATOM 0 HA SER A 38 6.038 -1.757 9.856 1.00 0.33 H new ATOM 0 HB2 SER A 38 6.461 -3.360 8.212 1.00 0.35 H new ATOM 0 HB3 SER A 38 4.741 -3.127 7.969 1.00 0.35 H new ATOM 0 HG SER A 38 5.143 -1.781 6.219 1.00 0.33 H new ATOM 581 N LEU A 39 6.315 0.486 7.480 1.00 0.31 N ATOM 582 CA LEU A 39 7.250 1.517 6.941 1.00 0.29 C ATOM 583 C LEU A 39 7.325 2.697 7.914 1.00 0.28 C ATOM 584 O LEU A 39 7.976 3.691 7.650 1.00 0.28 O ATOM 585 CB LEU A 39 6.742 2.007 5.581 1.00 0.28 C ATOM 586 CG LEU A 39 6.566 0.816 4.627 1.00 0.24 C ATOM 587 CD1 LEU A 39 5.741 1.253 3.416 1.00 0.43 C ATOM 588 CD2 LEU A 39 7.936 0.311 4.147 1.00 0.20 C ATOM 0 H LEU A 39 5.361 0.536 7.122 1.00 0.31 H new ATOM 0 HA LEU A 39 8.242 1.081 6.822 1.00 0.29 H new ATOM 0 HB2 LEU A 39 5.793 2.528 5.704 1.00 0.28 H new ATOM 0 HB3 LEU A 39 7.446 2.723 5.157 1.00 0.28 H new ATOM 0 HG LEU A 39 6.054 0.013 5.157 1.00 0.24 H new ATOM 0 HD11 LEU A 39 5.615 0.409 2.738 1.00 0.43 H new ATOM 0 HD12 LEU A 39 4.763 1.601 3.748 1.00 0.43 H new ATOM 0 HD13 LEU A 39 6.256 2.061 2.897 1.00 0.43 H new ATOM 0 HD21 LEU A 39 7.796 -0.533 3.472 1.00 0.20 H new ATOM 0 HD22 LEU A 39 8.456 1.113 3.623 1.00 0.20 H new ATOM 0 HD23 LEU A 39 8.528 -0.005 5.006 1.00 0.20 H new ATOM 600 N GLY A 40 6.675 2.596 9.043 1.00 0.27 N ATOM 601 CA GLY A 40 6.721 3.709 10.036 1.00 0.26 C ATOM 602 C GLY A 40 5.653 4.757 9.706 1.00 0.24 C ATOM 603 O GLY A 40 5.701 5.872 10.187 1.00 0.26 O ATOM 0 H GLY A 40 6.114 1.791 9.321 1.00 0.27 H new ATOM 0 HA2 GLY A 40 6.558 3.317 11.040 1.00 0.26 H new ATOM 0 HA3 GLY A 40 7.708 4.171 10.030 1.00 0.26 H new ATOM 607 N GLN A 41 4.687 4.411 8.894 1.00 0.22 N ATOM 608 CA GLN A 41 3.608 5.387 8.534 1.00 0.23 C ATOM 609 C GLN A 41 2.363 5.091 9.375 1.00 0.23 C ATOM 610 O GLN A 41 2.026 3.947 9.606 1.00 0.24 O ATOM 611 CB GLN A 41 3.265 5.245 7.051 1.00 0.26 C ATOM 612 CG GLN A 41 4.409 5.816 6.208 1.00 0.21 C ATOM 613 CD GLN A 41 4.039 5.741 4.725 1.00 1.31 C ATOM 614 OE1 GLN A 41 4.462 4.841 4.028 1.00 2.31 O ATOM 615 NE2 GLN A 41 3.265 6.655 4.210 1.00 1.82 N ATOM 0 H GLN A 41 4.597 3.491 8.462 1.00 0.22 H new ATOM 0 HA GLN A 41 3.952 6.403 8.730 1.00 0.23 H new ATOM 0 HB2 GLN A 41 3.104 4.196 6.802 1.00 0.26 H new ATOM 0 HB3 GLN A 41 2.337 5.772 6.829 1.00 0.26 H new ATOM 0 HG2 GLN A 41 4.604 6.850 6.493 1.00 0.21 H new ATOM 0 HG3 GLN A 41 5.326 5.256 6.393 1.00 0.21 H new ATOM 0 HE21 GLN A 41 2.909 7.411 4.795 1.00 1.82 H new ATOM 0 HE22 GLN A 41 3.015 6.614 3.222 1.00 1.82 H new ATOM 624 N ASN A 42 1.680 6.109 9.845 1.00 0.22 N ATOM 625 CA ASN A 42 0.458 5.879 10.685 1.00 0.22 C ATOM 626 C ASN A 42 -0.671 6.830 10.254 1.00 0.20 C ATOM 627 O ASN A 42 -0.960 7.783 10.951 1.00 0.18 O ATOM 628 CB ASN A 42 0.808 6.152 12.151 1.00 0.24 C ATOM 629 CG ASN A 42 -0.371 5.761 13.043 1.00 0.24 C ATOM 630 OD1 ASN A 42 -0.370 6.038 14.225 1.00 1.12 O ATOM 631 ND2 ASN A 42 -1.384 5.120 12.527 1.00 1.44 N ATOM 0 H ASN A 42 1.915 7.088 9.684 1.00 0.22 H new ATOM 0 HA ASN A 42 0.123 4.849 10.558 1.00 0.22 H new ATOM 0 HB2 ASN A 42 1.695 5.586 12.435 1.00 0.24 H new ATOM 0 HB3 ASN A 42 1.046 7.207 12.288 1.00 0.24 H new ATOM 0 HD21 ASN A 42 -2.172 4.853 13.117 1.00 1.44 H new ATOM 0 HD22 ASN A 42 -1.387 4.886 11.534 1.00 1.44 H new ATOM 638 N PRO A 43 -1.285 6.551 9.123 1.00 0.19 N ATOM 639 CA PRO A 43 -2.391 7.389 8.618 1.00 0.16 C ATOM 640 C PRO A 43 -3.626 7.175 9.501 1.00 0.16 C ATOM 641 O PRO A 43 -3.807 6.118 10.073 1.00 0.18 O ATOM 642 CB PRO A 43 -2.641 6.883 7.177 1.00 0.17 C ATOM 643 CG PRO A 43 -1.792 5.592 6.983 1.00 0.20 C ATOM 644 CD PRO A 43 -0.937 5.401 8.259 1.00 0.21 C ATOM 0 HA PRO A 43 -2.166 8.455 8.632 1.00 0.16 H new ATOM 0 HB2 PRO A 43 -3.699 6.673 7.022 1.00 0.17 H new ATOM 0 HB3 PRO A 43 -2.357 7.642 6.449 1.00 0.17 H new ATOM 0 HG2 PRO A 43 -2.438 4.729 6.822 1.00 0.20 H new ATOM 0 HG3 PRO A 43 -1.154 5.681 6.104 1.00 0.20 H new ATOM 0 HD2 PRO A 43 -1.164 4.455 8.750 1.00 0.21 H new ATOM 0 HD3 PRO A 43 0.127 5.391 8.024 1.00 0.21 H new ATOM 652 N THR A 44 -4.485 8.153 9.618 1.00 0.15 N ATOM 653 CA THR A 44 -5.694 7.956 10.465 1.00 0.17 C ATOM 654 C THR A 44 -6.627 6.965 9.776 1.00 0.17 C ATOM 655 O THR A 44 -6.457 6.636 8.620 1.00 0.22 O ATOM 656 CB THR A 44 -6.430 9.283 10.665 1.00 0.17 C ATOM 657 OG1 THR A 44 -6.735 9.849 9.402 1.00 0.17 O ATOM 658 CG2 THR A 44 -5.549 10.246 11.464 1.00 0.18 C ATOM 0 H THR A 44 -4.403 9.066 9.171 1.00 0.15 H new ATOM 0 HA THR A 44 -5.387 7.573 11.438 1.00 0.17 H new ATOM 0 HB THR A 44 -7.355 9.105 11.214 1.00 0.17 H new ATOM 0 HG1 THR A 44 -7.208 10.698 9.530 1.00 0.17 H new ATOM 0 HG21 THR A 44 -6.076 11.190 11.605 1.00 0.18 H new ATOM 0 HG22 THR A 44 -5.321 9.809 12.436 1.00 0.18 H new ATOM 0 HG23 THR A 44 -4.621 10.426 10.921 1.00 0.18 H new ATOM 666 N GLU A 45 -7.609 6.486 10.480 1.00 0.14 N ATOM 667 CA GLU A 45 -8.554 5.512 9.874 1.00 0.16 C ATOM 668 C GLU A 45 -9.281 6.158 8.695 1.00 0.19 C ATOM 669 O GLU A 45 -9.527 5.527 7.687 1.00 0.25 O ATOM 670 CB GLU A 45 -9.569 5.085 10.936 1.00 0.16 C ATOM 671 CG GLU A 45 -8.918 4.089 11.900 1.00 0.14 C ATOM 672 CD GLU A 45 -9.872 3.799 13.061 1.00 1.08 C ATOM 673 OE1 GLU A 45 -10.358 4.748 13.653 1.00 2.24 O ATOM 674 OE2 GLU A 45 -10.102 2.633 13.336 1.00 1.31 O ATOM 0 H GLU A 45 -7.799 6.727 11.453 1.00 0.14 H new ATOM 0 HA GLU A 45 -8.006 4.642 9.514 1.00 0.16 H new ATOM 0 HB2 GLU A 45 -9.925 5.957 11.484 1.00 0.16 H new ATOM 0 HB3 GLU A 45 -10.438 4.631 10.460 1.00 0.16 H new ATOM 0 HG2 GLU A 45 -8.676 3.165 11.375 1.00 0.14 H new ATOM 0 HG3 GLU A 45 -7.980 4.495 12.279 1.00 0.14 H new ATOM 681 N ALA A 46 -9.632 7.408 8.805 1.00 0.14 N ATOM 682 CA ALA A 46 -10.342 8.070 7.677 1.00 0.17 C ATOM 683 C ALA A 46 -9.390 8.195 6.487 1.00 0.18 C ATOM 684 O ALA A 46 -9.775 7.982 5.356 1.00 0.21 O ATOM 685 CB ALA A 46 -10.833 9.455 8.112 1.00 0.16 C ATOM 0 H ALA A 46 -9.460 7.996 9.620 1.00 0.14 H new ATOM 0 HA ALA A 46 -11.205 7.471 7.385 1.00 0.17 H new ATOM 0 HB1 ALA A 46 -11.352 9.934 7.282 1.00 0.16 H new ATOM 0 HB2 ALA A 46 -11.516 9.351 8.955 1.00 0.16 H new ATOM 0 HB3 ALA A 46 -9.981 10.066 8.409 1.00 0.16 H new ATOM 691 N GLU A 47 -8.147 8.516 6.724 1.00 0.17 N ATOM 692 CA GLU A 47 -7.199 8.620 5.584 1.00 0.20 C ATOM 693 C GLU A 47 -7.161 7.266 4.880 1.00 0.22 C ATOM 694 O GLU A 47 -7.084 7.182 3.671 1.00 0.24 O ATOM 695 CB GLU A 47 -5.796 8.974 6.094 1.00 0.19 C ATOM 696 CG GLU A 47 -5.720 10.472 6.410 1.00 0.20 C ATOM 697 CD GLU A 47 -4.271 10.856 6.720 1.00 0.29 C ATOM 698 OE1 GLU A 47 -3.484 10.921 5.790 1.00 0.76 O ATOM 699 OE2 GLU A 47 -3.974 11.080 7.882 1.00 0.38 O ATOM 0 H GLU A 47 -7.753 8.708 7.645 1.00 0.17 H new ATOM 0 HA GLU A 47 -7.524 9.402 4.897 1.00 0.20 H new ATOM 0 HB2 GLU A 47 -5.567 8.393 6.987 1.00 0.19 H new ATOM 0 HB3 GLU A 47 -5.050 8.713 5.343 1.00 0.19 H new ATOM 0 HG2 GLU A 47 -6.088 11.052 5.564 1.00 0.20 H new ATOM 0 HG3 GLU A 47 -6.360 10.708 7.260 1.00 0.20 H new ATOM 706 N LEU A 48 -7.225 6.197 5.632 1.00 0.21 N ATOM 707 CA LEU A 48 -7.201 4.848 5.004 1.00 0.23 C ATOM 708 C LEU A 48 -8.531 4.592 4.288 1.00 0.24 C ATOM 709 O LEU A 48 -8.560 4.171 3.151 1.00 0.26 O ATOM 710 CB LEU A 48 -7.007 3.777 6.085 1.00 0.24 C ATOM 711 CG LEU A 48 -5.561 3.792 6.611 1.00 0.28 C ATOM 712 CD1 LEU A 48 -5.438 2.797 7.776 1.00 0.35 C ATOM 713 CD2 LEU A 48 -4.572 3.396 5.491 1.00 0.32 C ATOM 0 H LEU A 48 -7.293 6.203 6.650 1.00 0.21 H new ATOM 0 HA LEU A 48 -6.379 4.803 4.289 1.00 0.23 H new ATOM 0 HB2 LEU A 48 -7.700 3.953 6.907 1.00 0.24 H new ATOM 0 HB3 LEU A 48 -7.241 2.794 5.676 1.00 0.24 H new ATOM 0 HG LEU A 48 -5.319 4.799 6.951 1.00 0.28 H new ATOM 0 HD11 LEU A 48 -4.415 2.803 8.153 1.00 0.35 H new ATOM 0 HD12 LEU A 48 -6.121 3.086 8.575 1.00 0.35 H new ATOM 0 HD13 LEU A 48 -5.690 1.796 7.427 1.00 0.35 H new ATOM 0 HD21 LEU A 48 -3.555 3.412 5.882 1.00 0.32 H new ATOM 0 HD22 LEU A 48 -4.808 2.393 5.135 1.00 0.32 H new ATOM 0 HD23 LEU A 48 -4.655 4.103 4.666 1.00 0.32 H new ATOM 725 N GLN A 49 -9.631 4.829 4.948 1.00 0.24 N ATOM 726 CA GLN A 49 -10.953 4.577 4.307 1.00 0.26 C ATOM 727 C GLN A 49 -11.140 5.483 3.088 1.00 0.27 C ATOM 728 O GLN A 49 -11.921 5.191 2.204 1.00 0.29 O ATOM 729 CB GLN A 49 -12.068 4.857 5.321 1.00 0.25 C ATOM 730 CG GLN A 49 -12.176 3.696 6.315 1.00 0.26 C ATOM 731 CD GLN A 49 -12.887 2.514 5.648 1.00 0.88 C ATOM 732 OE1 GLN A 49 -12.351 1.425 5.586 1.00 1.71 O ATOM 733 NE2 GLN A 49 -14.079 2.683 5.146 1.00 1.58 N ATOM 0 H GLN A 49 -9.672 5.186 5.903 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.994 3.537 3.982 1.00 0.26 H new ATOM 0 HB2 GLN A 49 -11.861 5.785 5.854 1.00 0.25 H new ATOM 0 HB3 GLN A 49 -13.017 4.992 4.802 1.00 0.25 H new ATOM 0 HG2 GLN A 49 -11.183 3.395 6.648 1.00 0.26 H new ATOM 0 HG3 GLN A 49 -12.727 4.012 7.201 1.00 0.26 H new ATOM 0 HE21 GLN A 49 -14.529 3.597 5.198 1.00 1.58 H new ATOM 0 HE22 GLN A 49 -14.561 1.901 4.702 1.00 1.58 H new ATOM 742 N ASP A 50 -10.442 6.577 3.030 1.00 0.25 N ATOM 743 CA ASP A 50 -10.600 7.491 1.862 1.00 0.26 C ATOM 744 C ASP A 50 -9.917 6.876 0.644 1.00 0.28 C ATOM 745 O ASP A 50 -10.470 6.832 -0.436 1.00 0.30 O ATOM 746 CB ASP A 50 -9.966 8.849 2.176 1.00 0.23 C ATOM 747 CG ASP A 50 -10.847 9.607 3.171 1.00 1.22 C ATOM 748 OD1 ASP A 50 -12.051 9.616 2.978 1.00 1.95 O ATOM 749 OD2 ASP A 50 -10.302 10.166 4.109 1.00 2.05 O ATOM 0 H ASP A 50 -9.771 6.881 3.735 1.00 0.25 H new ATOM 0 HA ASP A 50 -11.661 7.632 1.654 1.00 0.26 H new ATOM 0 HB2 ASP A 50 -8.968 8.709 2.591 1.00 0.23 H new ATOM 0 HB3 ASP A 50 -9.852 9.429 1.260 1.00 0.23 H new ATOM 754 N MET A 51 -8.720 6.398 0.811 1.00 0.28 N ATOM 755 CA MET A 51 -8.005 5.779 -0.336 1.00 0.31 C ATOM 756 C MET A 51 -8.676 4.451 -0.685 1.00 0.32 C ATOM 757 O MET A 51 -8.715 4.052 -1.826 1.00 0.35 O ATOM 758 CB MET A 51 -6.539 5.546 0.036 1.00 0.28 C ATOM 759 CG MET A 51 -5.911 6.868 0.480 1.00 0.30 C ATOM 760 SD MET A 51 -4.109 6.704 0.505 1.00 0.29 S ATOM 761 CE MET A 51 -4.006 5.537 1.884 1.00 0.42 C ATOM 0 H MET A 51 -8.205 6.409 1.691 1.00 0.28 H new ATOM 0 HA MET A 51 -8.047 6.443 -1.199 1.00 0.31 H new ATOM 0 HB2 MET A 51 -6.468 4.810 0.837 1.00 0.28 H new ATOM 0 HB3 MET A 51 -5.996 5.141 -0.818 1.00 0.28 H new ATOM 0 HG2 MET A 51 -6.204 7.668 -0.200 1.00 0.30 H new ATOM 0 HG3 MET A 51 -6.275 7.141 1.470 1.00 0.30 H new ATOM 0 HE1 MET A 51 -2.988 5.522 2.273 1.00 0.42 H new ATOM 0 HE2 MET A 51 -4.692 5.845 2.673 1.00 0.42 H new ATOM 0 HE3 MET A 51 -4.276 4.540 1.537 1.00 0.42 H new ATOM 771 N ILE A 52 -9.226 3.773 0.286 1.00 0.29 N ATOM 772 CA ILE A 52 -9.912 2.489 -0.014 1.00 0.30 C ATOM 773 C ILE A 52 -11.095 2.791 -0.938 1.00 0.29 C ATOM 774 O ILE A 52 -11.384 2.060 -1.861 1.00 0.33 O ATOM 775 CB ILE A 52 -10.413 1.861 1.298 1.00 0.31 C ATOM 776 CG1 ILE A 52 -9.215 1.276 2.059 1.00 0.31 C ATOM 777 CG2 ILE A 52 -11.432 0.755 0.991 1.00 0.34 C ATOM 778 CD1 ILE A 52 -9.646 0.735 3.431 1.00 0.32 C ATOM 0 H ILE A 52 -9.229 4.052 1.267 1.00 0.29 H new ATOM 0 HA ILE A 52 -9.230 1.790 -0.497 1.00 0.30 H new ATOM 0 HB ILE A 52 -10.898 2.622 1.909 1.00 0.31 H new ATOM 0 HG12 ILE A 52 -8.764 0.475 1.474 1.00 0.31 H new ATOM 0 HG13 ILE A 52 -8.452 2.044 2.190 1.00 0.31 H new ATOM 0 HG21 ILE A 52 -11.783 0.314 1.924 1.00 0.34 H new ATOM 0 HG22 ILE A 52 -12.278 1.179 0.450 1.00 0.34 H new ATOM 0 HG23 ILE A 52 -10.960 -0.015 0.381 1.00 0.34 H new ATOM 0 HD11 ILE A 52 -8.779 0.326 3.950 1.00 0.32 H new ATOM 0 HD12 ILE A 52 -10.075 1.544 4.023 1.00 0.32 H new ATOM 0 HD13 ILE A 52 -10.391 -0.049 3.295 1.00 0.32 H new ATOM 790 N ASN A 53 -11.778 3.867 -0.678 1.00 0.24 N ATOM 791 CA ASN A 53 -12.948 4.248 -1.504 1.00 0.23 C ATOM 792 C ASN A 53 -12.581 4.202 -2.986 1.00 0.33 C ATOM 793 O ASN A 53 -13.231 3.564 -3.790 1.00 0.51 O ATOM 794 CB ASN A 53 -13.384 5.675 -1.069 1.00 0.15 C ATOM 795 CG ASN A 53 -13.136 6.723 -2.167 1.00 2.07 C ATOM 796 OD1 ASN A 53 -12.118 7.387 -2.171 1.00 3.67 O ATOM 797 ND2 ASN A 53 -14.032 6.897 -3.099 1.00 2.24 N ATOM 0 H ASN A 53 -11.569 4.509 0.087 1.00 0.24 H new ATOM 0 HA ASN A 53 -13.774 3.552 -1.357 1.00 0.23 H new ATOM 0 HB2 ASN A 53 -14.443 5.666 -0.812 1.00 0.15 H new ATOM 0 HB3 ASN A 53 -12.840 5.960 -0.169 1.00 0.15 H new ATOM 0 HD21 ASN A 53 -13.878 7.590 -3.831 1.00 2.24 H new ATOM 0 HD22 ASN A 53 -14.886 6.340 -3.096 1.00 2.24 H new ATOM 804 N GLU A 54 -11.557 4.904 -3.339 1.00 0.41 N ATOM 805 CA GLU A 54 -11.128 4.957 -4.765 1.00 0.48 C ATOM 806 C GLU A 54 -10.345 3.688 -5.112 1.00 0.27 C ATOM 807 O GLU A 54 -10.588 3.047 -6.116 1.00 0.37 O ATOM 808 CB GLU A 54 -10.283 6.248 -4.958 1.00 0.73 C ATOM 809 CG GLU A 54 -8.911 5.962 -5.577 1.00 2.02 C ATOM 810 CD GLU A 54 -8.191 7.284 -5.850 1.00 1.77 C ATOM 811 OE1 GLU A 54 -8.677 8.042 -6.674 1.00 1.82 O ATOM 812 OE2 GLU A 54 -7.167 7.516 -5.230 1.00 1.93 O ATOM 0 H GLU A 54 -10.985 5.454 -2.698 1.00 0.41 H new ATOM 0 HA GLU A 54 -11.983 4.995 -5.441 1.00 0.48 H new ATOM 0 HB2 GLU A 54 -10.828 6.944 -5.596 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -10.148 6.738 -3.994 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -8.317 5.344 -4.903 1.00 2.02 H new ATOM 0 HG3 GLU A 54 -9.028 5.401 -6.504 1.00 2.02 H new ATOM 819 N VAL A 55 -9.404 3.338 -4.300 1.00 0.28 N ATOM 820 CA VAL A 55 -8.588 2.125 -4.586 1.00 0.41 C ATOM 821 C VAL A 55 -9.495 0.906 -4.696 1.00 0.36 C ATOM 822 O VAL A 55 -9.189 -0.063 -5.362 1.00 0.56 O ATOM 823 CB VAL A 55 -7.572 1.907 -3.470 1.00 0.63 C ATOM 824 CG1 VAL A 55 -6.869 0.568 -3.681 1.00 0.82 C ATOM 825 CG2 VAL A 55 -6.545 3.038 -3.506 1.00 0.63 C ATOM 0 H VAL A 55 -9.157 3.836 -3.445 1.00 0.28 H new ATOM 0 HA VAL A 55 -8.060 2.268 -5.529 1.00 0.41 H new ATOM 0 HB VAL A 55 -8.076 1.900 -2.504 1.00 0.63 H new ATOM 0 HG11 VAL A 55 -6.142 0.409 -2.885 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -7.605 -0.236 -3.666 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -6.357 0.573 -4.643 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -5.814 2.891 -2.711 1.00 0.63 H new ATOM 0 HG22 VAL A 55 -6.037 3.038 -4.471 1.00 0.63 H new ATOM 0 HG23 VAL A 55 -7.050 3.993 -3.362 1.00 0.63 H new ATOM 835 N ASP A 56 -10.602 0.962 -4.046 1.00 0.16 N ATOM 836 CA ASP A 56 -11.565 -0.180 -4.092 1.00 0.24 C ATOM 837 C ASP A 56 -12.350 -0.096 -5.393 1.00 0.46 C ATOM 838 O ASP A 56 -13.520 -0.412 -5.469 1.00 0.65 O ATOM 839 CB ASP A 56 -12.532 -0.118 -2.902 1.00 0.13 C ATOM 840 CG ASP A 56 -13.530 -1.272 -2.997 1.00 0.32 C ATOM 841 OD1 ASP A 56 -13.127 -2.398 -2.752 1.00 1.23 O ATOM 842 OD2 ASP A 56 -14.682 -1.012 -3.311 1.00 0.61 O ATOM 0 H ASP A 56 -10.898 1.753 -3.474 1.00 0.16 H new ATOM 0 HA ASP A 56 -11.016 -1.120 -4.039 1.00 0.24 H new ATOM 0 HB2 ASP A 56 -11.978 -0.178 -1.965 1.00 0.13 H new ATOM 0 HB3 ASP A 56 -13.061 0.835 -2.898 1.00 0.13 H new ATOM 847 N ALA A 57 -11.686 0.337 -6.417 1.00 0.50 N ATOM 848 CA ALA A 57 -12.323 0.471 -7.746 1.00 0.74 C ATOM 849 C ALA A 57 -12.371 -0.894 -8.430 1.00 1.03 C ATOM 850 O ALA A 57 -13.093 -1.101 -9.385 1.00 1.33 O ATOM 851 CB ALA A 57 -11.496 1.456 -8.574 1.00 0.67 C ATOM 0 H ALA A 57 -10.704 0.611 -6.388 1.00 0.50 H new ATOM 0 HA ALA A 57 -13.344 0.841 -7.647 1.00 0.74 H new ATOM 0 HB1 ALA A 57 -11.947 1.571 -9.560 1.00 0.67 H new ATOM 0 HB2 ALA A 57 -11.471 2.423 -8.071 1.00 0.67 H new ATOM 0 HB3 ALA A 57 -10.480 1.077 -8.682 1.00 0.67 H new ATOM 857 N ASP A 58 -11.603 -1.824 -7.942 1.00 1.01 N ATOM 858 CA ASP A 58 -11.589 -3.184 -8.545 1.00 1.31 C ATOM 859 C ASP A 58 -12.797 -3.970 -8.044 1.00 1.24 C ATOM 860 O ASP A 58 -13.201 -4.956 -8.629 1.00 1.50 O ATOM 861 CB ASP A 58 -10.285 -3.916 -8.182 1.00 1.42 C ATOM 862 CG ASP A 58 -10.054 -5.067 -9.164 1.00 1.75 C ATOM 863 OD1 ASP A 58 -10.960 -5.867 -9.333 1.00 1.08 O ATOM 864 OD2 ASP A 58 -8.977 -5.129 -9.732 1.00 2.85 O ATOM 0 H ASP A 58 -10.979 -1.700 -7.145 1.00 1.01 H new ATOM 0 HA ASP A 58 -11.641 -3.098 -9.630 1.00 1.31 H new ATOM 0 HB2 ASP A 58 -9.445 -3.222 -8.215 1.00 1.42 H new ATOM 0 HB3 ASP A 58 -10.342 -4.299 -7.163 1.00 1.42 H new ATOM 869 N GLY A 59 -13.373 -3.538 -6.961 1.00 0.96 N ATOM 870 CA GLY A 59 -14.560 -4.249 -6.408 1.00 1.00 C ATOM 871 C GLY A 59 -14.115 -5.552 -5.741 1.00 0.90 C ATOM 872 O GLY A 59 -14.928 -6.361 -5.340 1.00 0.79 O ATOM 0 H GLY A 59 -13.073 -2.720 -6.431 1.00 0.96 H new ATOM 0 HA2 GLY A 59 -15.071 -3.615 -5.684 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -15.273 -4.462 -7.205 1.00 1.00 H new ATOM 876 N ASN A 60 -12.825 -5.763 -5.621 1.00 0.96 N ATOM 877 CA ASN A 60 -12.312 -7.022 -4.978 1.00 0.88 C ATOM 878 C ASN A 60 -11.791 -6.720 -3.569 1.00 0.77 C ATOM 879 O ASN A 60 -11.235 -7.575 -2.911 1.00 1.26 O ATOM 880 CB ASN A 60 -11.176 -7.619 -5.820 1.00 0.96 C ATOM 881 CG ASN A 60 -10.838 -9.017 -5.299 1.00 2.36 C ATOM 882 OD1 ASN A 60 -11.624 -9.624 -4.601 1.00 3.30 O ATOM 883 ND2 ASN A 60 -9.691 -9.556 -5.610 1.00 2.97 N ATOM 0 H ASN A 60 -12.102 -5.118 -5.940 1.00 0.96 H new ATOM 0 HA ASN A 60 -13.132 -7.738 -4.915 1.00 0.88 H new ATOM 0 HB2 ASN A 60 -11.474 -7.671 -6.867 1.00 0.96 H new ATOM 0 HB3 ASN A 60 -10.296 -6.978 -5.770 1.00 0.96 H new ATOM 0 HD21 ASN A 60 -9.455 -10.487 -5.267 1.00 2.97 H new ATOM 0 HD22 ASN A 60 -9.030 -9.046 -6.197 1.00 2.97 H new ATOM 890 N GLY A 61 -11.977 -5.519 -3.092 1.00 0.20 N ATOM 891 CA GLY A 61 -11.498 -5.176 -1.718 1.00 0.13 C ATOM 892 C GLY A 61 -10.041 -5.620 -1.538 1.00 0.07 C ATOM 893 O GLY A 61 -9.644 -6.033 -0.466 1.00 0.17 O ATOM 0 H GLY A 61 -12.439 -4.760 -3.592 1.00 0.20 H new ATOM 0 HA2 GLY A 61 -11.581 -4.102 -1.554 1.00 0.13 H new ATOM 0 HA3 GLY A 61 -12.128 -5.662 -0.973 1.00 0.13 H new ATOM 897 N THR A 62 -9.239 -5.538 -2.574 1.00 0.04 N ATOM 898 CA THR A 62 -7.802 -5.954 -2.467 1.00 0.13 C ATOM 899 C THR A 62 -6.916 -4.898 -3.138 1.00 0.18 C ATOM 900 O THR A 62 -7.402 -3.979 -3.769 1.00 0.21 O ATOM 901 CB THR A 62 -7.615 -7.295 -3.179 1.00 0.20 C ATOM 902 OG1 THR A 62 -8.247 -7.247 -4.451 1.00 0.17 O ATOM 903 CG2 THR A 62 -8.238 -8.410 -2.338 1.00 0.38 C ATOM 0 H THR A 62 -9.519 -5.199 -3.494 1.00 0.04 H new ATOM 0 HA THR A 62 -7.524 -6.050 -1.417 1.00 0.13 H new ATOM 0 HB THR A 62 -6.551 -7.493 -3.310 1.00 0.20 H new ATOM 0 HG1 THR A 62 -7.771 -7.833 -5.075 1.00 0.17 H new ATOM 0 HG21 THR A 62 -8.105 -9.366 -2.845 1.00 0.38 H new ATOM 0 HG22 THR A 62 -7.752 -8.446 -1.363 1.00 0.38 H new ATOM 0 HG23 THR A 62 -9.302 -8.215 -2.206 1.00 0.38 H new ATOM 911 N ILE A 63 -5.619 -5.019 -3.004 1.00 0.19 N ATOM 912 CA ILE A 63 -4.688 -4.028 -3.627 1.00 0.24 C ATOM 913 C ILE A 63 -3.480 -4.772 -4.198 1.00 0.25 C ATOM 914 O ILE A 63 -2.925 -5.641 -3.556 1.00 0.25 O ATOM 915 CB ILE A 63 -4.218 -3.041 -2.547 1.00 0.24 C ATOM 916 CG1 ILE A 63 -5.399 -2.738 -1.612 1.00 0.21 C ATOM 917 CG2 ILE A 63 -3.705 -1.741 -3.188 1.00 0.29 C ATOM 918 CD1 ILE A 63 -5.032 -1.615 -0.638 1.00 0.23 C ATOM 0 H ILE A 63 -5.161 -5.768 -2.485 1.00 0.19 H new ATOM 0 HA ILE A 63 -5.195 -3.486 -4.425 1.00 0.24 H new ATOM 0 HB ILE A 63 -3.398 -3.484 -1.981 1.00 0.24 H new ATOM 0 HG12 ILE A 63 -6.271 -2.449 -2.199 1.00 0.21 H new ATOM 0 HG13 ILE A 63 -5.671 -3.636 -1.057 1.00 0.21 H new ATOM 0 HG21 ILE A 63 -3.377 -1.055 -2.407 1.00 0.29 H new ATOM 0 HG22 ILE A 63 -2.868 -1.967 -3.848 1.00 0.29 H new ATOM 0 HG23 ILE A 63 -4.506 -1.278 -3.764 1.00 0.29 H new ATOM 0 HD11 ILE A 63 -5.878 -1.411 0.018 1.00 0.23 H new ATOM 0 HD12 ILE A 63 -4.174 -1.919 -0.039 1.00 0.23 H new ATOM 0 HD13 ILE A 63 -4.783 -0.714 -1.199 1.00 0.23 H new ATOM 930 N ASP A 64 -3.059 -4.430 -5.386 1.00 0.28 N ATOM 931 CA ASP A 64 -1.869 -5.103 -5.997 1.00 0.30 C ATOM 932 C ASP A 64 -0.643 -4.185 -5.817 1.00 0.32 C ATOM 933 O ASP A 64 -0.780 -3.026 -5.478 1.00 0.32 O ATOM 934 CB ASP A 64 -2.144 -5.381 -7.483 1.00 0.34 C ATOM 935 CG ASP A 64 -2.260 -4.065 -8.256 1.00 0.36 C ATOM 936 OD1 ASP A 64 -2.113 -3.023 -7.641 1.00 0.40 O ATOM 937 OD2 ASP A 64 -2.495 -4.122 -9.451 1.00 0.41 O ATOM 0 H ASP A 64 -3.489 -3.709 -5.965 1.00 0.28 H new ATOM 0 HA ASP A 64 -1.672 -6.057 -5.508 1.00 0.30 H new ATOM 0 HB2 ASP A 64 -1.341 -5.987 -7.902 1.00 0.34 H new ATOM 0 HB3 ASP A 64 -3.064 -5.955 -7.588 1.00 0.34 H new ATOM 942 N PHE A 65 0.549 -4.696 -6.001 1.00 0.33 N ATOM 943 CA PHE A 65 1.770 -3.846 -5.794 1.00 0.34 C ATOM 944 C PHE A 65 1.800 -2.601 -6.716 1.00 0.38 C ATOM 945 O PHE A 65 2.091 -1.529 -6.223 1.00 0.40 O ATOM 946 CB PHE A 65 3.050 -4.696 -5.952 1.00 0.34 C ATOM 947 CG PHE A 65 4.267 -3.914 -5.490 1.00 0.34 C ATOM 948 CD1 PHE A 65 4.381 -3.497 -4.154 1.00 0.80 C ATOM 949 CD2 PHE A 65 5.293 -3.614 -6.400 1.00 0.51 C ATOM 950 CE1 PHE A 65 5.512 -2.786 -3.734 1.00 0.80 C ATOM 951 CE2 PHE A 65 6.419 -2.904 -5.979 1.00 0.50 C ATOM 952 CZ PHE A 65 6.530 -2.490 -4.646 1.00 0.32 C ATOM 0 H PHE A 65 0.733 -5.659 -6.284 1.00 0.33 H new ATOM 0 HA PHE A 65 1.727 -3.464 -4.774 1.00 0.34 H new ATOM 0 HB2 PHE A 65 2.958 -5.614 -5.372 1.00 0.34 H new ATOM 0 HB3 PHE A 65 3.173 -4.989 -6.995 1.00 0.34 H new ATOM 0 HD1 PHE A 65 3.595 -3.725 -3.449 1.00 0.80 H new ATOM 0 HD2 PHE A 65 5.211 -3.933 -7.428 1.00 0.51 H new ATOM 0 HE1 PHE A 65 5.598 -2.466 -2.706 1.00 0.80 H new ATOM 0 HE2 PHE A 65 7.205 -2.674 -6.682 1.00 0.50 H new ATOM 0 HZ PHE A 65 7.402 -1.942 -4.322 1.00 0.32 H new ATOM 962 N PRO A 66 1.498 -2.711 -8.003 1.00 0.40 N ATOM 963 CA PRO A 66 1.514 -1.512 -8.864 1.00 0.45 C ATOM 964 C PRO A 66 0.666 -0.406 -8.216 1.00 0.45 C ATOM 965 O PRO A 66 1.119 0.703 -8.022 1.00 0.47 O ATOM 966 CB PRO A 66 0.925 -1.972 -10.216 1.00 0.48 C ATOM 967 CG PRO A 66 0.716 -3.512 -10.131 1.00 0.45 C ATOM 968 CD PRO A 66 1.126 -3.962 -8.708 1.00 0.39 C ATOM 0 HA PRO A 66 2.513 -1.099 -9.001 1.00 0.45 H new ATOM 0 HB2 PRO A 66 -0.020 -1.467 -10.415 1.00 0.48 H new ATOM 0 HB3 PRO A 66 1.600 -1.721 -11.034 1.00 0.48 H new ATOM 0 HG2 PRO A 66 -0.325 -3.769 -10.329 1.00 0.45 H new ATOM 0 HG3 PRO A 66 1.319 -4.022 -10.882 1.00 0.45 H new ATOM 0 HD2 PRO A 66 0.305 -4.471 -8.203 1.00 0.39 H new ATOM 0 HD3 PRO A 66 1.962 -4.661 -8.740 1.00 0.39 H new ATOM 976 N GLU A 67 -0.559 -0.703 -7.875 1.00 0.44 N ATOM 977 CA GLU A 67 -1.421 0.329 -7.236 1.00 0.45 C ATOM 978 C GLU A 67 -0.800 0.751 -5.903 1.00 0.43 C ATOM 979 O GLU A 67 -0.916 1.888 -5.490 1.00 0.44 O ATOM 980 CB GLU A 67 -2.824 -0.237 -6.998 1.00 0.44 C ATOM 981 CG GLU A 67 -3.482 -0.559 -8.343 1.00 0.46 C ATOM 982 CD GLU A 67 -4.794 -1.309 -8.101 1.00 0.53 C ATOM 983 OE1 GLU A 67 -4.833 -2.121 -7.193 1.00 0.71 O ATOM 984 OE2 GLU A 67 -5.739 -1.058 -8.833 1.00 0.44 O ATOM 0 H GLU A 67 -0.998 -1.614 -8.011 1.00 0.44 H new ATOM 0 HA GLU A 67 -1.497 1.195 -7.894 1.00 0.45 H new ATOM 0 HB2 GLU A 67 -2.765 -1.137 -6.386 1.00 0.44 H new ATOM 0 HB3 GLU A 67 -3.430 0.484 -6.448 1.00 0.44 H new ATOM 0 HG2 GLU A 67 -3.673 0.361 -8.896 1.00 0.46 H new ATOM 0 HG3 GLU A 67 -2.811 -1.165 -8.953 1.00 0.46 H new ATOM 991 N PHE A 68 -0.126 -0.145 -5.228 1.00 0.39 N ATOM 992 CA PHE A 68 0.505 0.238 -3.934 1.00 0.37 C ATOM 993 C PHE A 68 1.587 1.274 -4.227 1.00 0.36 C ATOM 994 O PHE A 68 1.811 2.190 -3.462 1.00 0.35 O ATOM 995 CB PHE A 68 1.127 -0.988 -3.247 1.00 0.34 C ATOM 996 CG PHE A 68 1.551 -0.610 -1.845 1.00 0.33 C ATOM 997 CD1 PHE A 68 0.625 -0.666 -0.795 1.00 0.30 C ATOM 998 CD2 PHE A 68 2.866 -0.198 -1.595 1.00 0.36 C ATOM 999 CE1 PHE A 68 1.014 -0.309 0.503 1.00 0.29 C ATOM 1000 CE2 PHE A 68 3.251 0.160 -0.296 1.00 0.35 C ATOM 1001 CZ PHE A 68 2.326 0.103 0.751 1.00 0.31 C ATOM 0 H PHE A 68 0.013 -1.114 -5.514 1.00 0.39 H new ATOM 0 HA PHE A 68 -0.249 0.649 -3.263 1.00 0.37 H new ATOM 0 HB2 PHE A 68 0.407 -1.806 -3.214 1.00 0.34 H new ATOM 0 HB3 PHE A 68 1.986 -1.342 -3.817 1.00 0.34 H new ATOM 0 HD1 PHE A 68 -0.389 -0.984 -0.986 1.00 0.30 H new ATOM 0 HD2 PHE A 68 3.582 -0.156 -2.402 1.00 0.36 H new ATOM 0 HE1 PHE A 68 0.300 -0.352 1.312 1.00 0.29 H new ATOM 0 HE2 PHE A 68 4.264 0.481 -0.103 1.00 0.35 H new ATOM 0 HZ PHE A 68 2.626 0.377 1.752 1.00 0.31 H new ATOM 1011 N LEU A 69 2.250 1.142 -5.345 1.00 0.35 N ATOM 1012 CA LEU A 69 3.306 2.130 -5.705 1.00 0.32 C ATOM 1013 C LEU A 69 2.649 3.478 -6.010 1.00 0.37 C ATOM 1014 O LEU A 69 3.259 4.521 -5.877 1.00 0.36 O ATOM 1015 CB LEU A 69 4.064 1.649 -6.950 1.00 0.30 C ATOM 1016 CG LEU A 69 4.941 0.431 -6.623 1.00 0.28 C ATOM 1017 CD1 LEU A 69 5.631 -0.039 -7.907 1.00 0.28 C ATOM 1018 CD2 LEU A 69 6.012 0.798 -5.575 1.00 0.29 C ATOM 0 H LEU A 69 2.106 0.394 -6.023 1.00 0.35 H new ATOM 0 HA LEU A 69 4.003 2.233 -4.873 1.00 0.32 H new ATOM 0 HB2 LEU A 69 3.354 1.390 -7.735 1.00 0.30 H new ATOM 0 HB3 LEU A 69 4.686 2.457 -7.336 1.00 0.30 H new ATOM 0 HG LEU A 69 4.313 -0.361 -6.216 1.00 0.28 H new ATOM 0 HD11 LEU A 69 6.257 -0.904 -7.688 1.00 0.28 H new ATOM 0 HD12 LEU A 69 4.878 -0.314 -8.645 1.00 0.28 H new ATOM 0 HD13 LEU A 69 6.250 0.766 -8.303 1.00 0.28 H new ATOM 0 HD21 LEU A 69 6.623 -0.078 -5.357 1.00 0.29 H new ATOM 0 HD22 LEU A 69 6.646 1.594 -5.966 1.00 0.29 H new ATOM 0 HD23 LEU A 69 5.525 1.138 -4.661 1.00 0.29 H new ATOM 1030 N THR A 70 1.409 3.468 -6.420 1.00 0.44 N ATOM 1031 CA THR A 70 0.719 4.749 -6.732 1.00 0.49 C ATOM 1032 C THR A 70 0.353 5.456 -5.428 1.00 0.50 C ATOM 1033 O THR A 70 0.207 6.662 -5.383 1.00 0.51 O ATOM 1034 CB THR A 70 -0.548 4.465 -7.552 1.00 0.54 C ATOM 1035 OG1 THR A 70 -0.179 3.962 -8.828 1.00 0.55 O ATOM 1036 CG2 THR A 70 -1.349 5.757 -7.726 1.00 0.61 C ATOM 0 H THR A 70 0.846 2.628 -6.552 1.00 0.44 H new ATOM 0 HA THR A 70 1.380 5.391 -7.314 1.00 0.49 H new ATOM 0 HB THR A 70 -1.160 3.729 -7.031 1.00 0.54 H new ATOM 0 HG1 THR A 70 -0.986 3.778 -9.353 1.00 0.55 H new ATOM 0 HG21 THR A 70 -2.247 5.552 -8.308 1.00 0.61 H new ATOM 0 HG22 THR A 70 -1.631 6.145 -6.747 1.00 0.61 H new ATOM 0 HG23 THR A 70 -0.740 6.496 -8.247 1.00 0.61 H new ATOM 1044 N MET A 71 0.214 4.720 -4.364 1.00 0.52 N ATOM 1045 CA MET A 71 -0.127 5.362 -3.060 1.00 0.55 C ATOM 1046 C MET A 71 1.132 6.021 -2.486 1.00 0.52 C ATOM 1047 O MET A 71 1.104 7.152 -2.040 1.00 0.52 O ATOM 1048 CB MET A 71 -0.656 4.310 -2.064 1.00 0.59 C ATOM 1049 CG MET A 71 -2.028 3.749 -2.526 1.00 0.55 C ATOM 1050 SD MET A 71 -3.224 3.827 -1.157 1.00 0.81 S ATOM 1051 CE MET A 71 -3.765 2.098 -1.177 1.00 0.46 C ATOM 0 H MET A 71 0.320 3.706 -4.337 1.00 0.52 H new ATOM 0 HA MET A 71 -0.903 6.111 -3.221 1.00 0.55 H new ATOM 0 HB2 MET A 71 0.063 3.495 -1.974 1.00 0.59 H new ATOM 0 HB3 MET A 71 -0.756 4.758 -1.075 1.00 0.59 H new ATOM 0 HG2 MET A 71 -2.397 4.323 -3.376 1.00 0.55 H new ATOM 0 HG3 MET A 71 -1.914 2.718 -2.862 1.00 0.55 H new ATOM 0 HE1 MET A 71 -4.692 2.000 -0.611 1.00 0.46 H new ATOM 0 HE2 MET A 71 -3.933 1.781 -2.206 1.00 0.46 H new ATOM 0 HE3 MET A 71 -2.996 1.471 -0.725 1.00 0.46 H new ATOM 1061 N MET A 72 2.236 5.320 -2.495 1.00 0.52 N ATOM 1062 CA MET A 72 3.495 5.899 -1.953 1.00 0.50 C ATOM 1063 C MET A 72 3.941 7.084 -2.815 1.00 0.49 C ATOM 1064 O MET A 72 4.536 8.022 -2.325 1.00 0.51 O ATOM 1065 CB MET A 72 4.592 4.827 -1.952 1.00 0.47 C ATOM 1066 CG MET A 72 4.189 3.656 -1.036 1.00 0.49 C ATOM 1067 SD MET A 72 5.674 2.913 -0.318 1.00 1.81 S ATOM 1068 CE MET A 72 5.844 4.057 1.073 1.00 0.57 C ATOM 0 H MET A 72 2.317 4.369 -2.856 1.00 0.52 H new ATOM 0 HA MET A 72 3.319 6.245 -0.934 1.00 0.50 H new ATOM 0 HB2 MET A 72 4.758 4.465 -2.967 1.00 0.47 H new ATOM 0 HB3 MET A 72 5.533 5.259 -1.610 1.00 0.47 H new ATOM 0 HG2 MET A 72 3.528 4.010 -0.245 1.00 0.49 H new ATOM 0 HG3 MET A 72 3.635 2.910 -1.605 1.00 0.49 H new ATOM 0 HE1 MET A 72 6.755 3.826 1.625 1.00 0.57 H new ATOM 0 HE2 MET A 72 5.896 5.079 0.699 1.00 0.57 H new ATOM 0 HE3 MET A 72 4.984 3.956 1.734 1.00 0.57 H new ATOM 1078 N ALA A 73 3.665 7.055 -4.092 1.00 0.49 N ATOM 1079 CA ALA A 73 4.089 8.188 -4.955 1.00 0.50 C ATOM 1080 C ALA A 73 3.241 9.422 -4.631 1.00 0.57 C ATOM 1081 O ALA A 73 3.727 10.535 -4.649 1.00 0.62 O ATOM 1082 CB ALA A 73 3.932 7.808 -6.430 1.00 0.51 C ATOM 0 H ALA A 73 3.169 6.302 -4.568 1.00 0.49 H new ATOM 0 HA ALA A 73 5.138 8.416 -4.764 1.00 0.50 H new ATOM 0 HB1 ALA A 73 4.245 8.644 -7.056 1.00 0.51 H new ATOM 0 HB2 ALA A 73 4.551 6.938 -6.650 1.00 0.51 H new ATOM 0 HB3 ALA A 73 2.888 7.571 -6.636 1.00 0.51 H new ATOM 1088 N ARG A 74 1.985 9.241 -4.322 1.00 0.59 N ATOM 1089 CA ARG A 74 1.138 10.416 -3.988 1.00 0.67 C ATOM 1090 C ARG A 74 1.667 11.049 -2.701 1.00 0.67 C ATOM 1091 O ARG A 74 1.516 12.231 -2.466 1.00 0.73 O ATOM 1092 CB ARG A 74 -0.318 9.958 -3.797 1.00 0.72 C ATOM 1093 CG ARG A 74 -1.054 9.916 -5.155 1.00 0.61 C ATOM 1094 CD ARG A 74 -1.710 11.272 -5.430 1.00 0.70 C ATOM 1095 NE ARG A 74 -2.904 11.434 -4.555 1.00 1.30 N ATOM 1096 CZ ARG A 74 -3.434 12.616 -4.393 1.00 2.17 C ATOM 1097 NH1 ARG A 74 -2.934 13.647 -5.018 1.00 2.67 N ATOM 1098 NH2 ARG A 74 -4.465 12.766 -3.609 1.00 2.83 N ATOM 0 H ARG A 74 1.514 8.337 -4.287 1.00 0.59 H new ATOM 0 HA ARG A 74 1.171 11.149 -4.794 1.00 0.67 H new ATOM 0 HB2 ARG A 74 -0.337 8.971 -3.335 1.00 0.72 H new ATOM 0 HB3 ARG A 74 -0.833 10.638 -3.118 1.00 0.72 H new ATOM 0 HG2 ARG A 74 -0.352 9.673 -5.952 1.00 0.61 H new ATOM 0 HG3 ARG A 74 -1.810 9.131 -5.145 1.00 0.61 H new ATOM 0 HD2 ARG A 74 -0.998 12.076 -5.244 1.00 0.70 H new ATOM 0 HD3 ARG A 74 -2.002 11.341 -6.478 1.00 0.70 H new ATOM 0 HE ARG A 74 -3.307 10.624 -4.084 1.00 1.30 H new ATOM 0 HH11 ARG A 74 -2.129 13.529 -5.633 1.00 2.67 H new ATOM 0 HH12 ARG A 74 -3.348 14.570 -4.891 1.00 2.67 H new ATOM 0 HH21 ARG A 74 -4.857 11.960 -3.122 1.00 2.83 H new ATOM 0 HH22 ARG A 74 -4.879 13.689 -3.482 1.00 2.83 H new ATOM 1112 N LYS A 75 2.293 10.265 -1.871 1.00 0.62 N ATOM 1113 CA LYS A 75 2.845 10.807 -0.600 1.00 0.64 C ATOM 1114 C LYS A 75 4.151 11.532 -0.895 1.00 0.60 C ATOM 1115 O LYS A 75 4.316 12.700 -0.601 1.00 0.55 O ATOM 1116 CB LYS A 75 3.109 9.657 0.374 1.00 0.65 C ATOM 1117 CG LYS A 75 1.795 8.939 0.719 1.00 0.64 C ATOM 1118 CD LYS A 75 0.928 9.812 1.643 1.00 0.57 C ATOM 1119 CE LYS A 75 -0.122 8.940 2.341 1.00 0.85 C ATOM 1120 NZ LYS A 75 0.519 8.182 3.453 1.00 0.90 N ATOM 0 H LYS A 75 2.447 9.268 -2.019 1.00 0.62 H new ATOM 0 HA LYS A 75 2.131 11.500 -0.155 1.00 0.64 H new ATOM 0 HB2 LYS A 75 3.812 8.951 -0.068 1.00 0.65 H new ATOM 0 HB3 LYS A 75 3.572 10.040 1.283 1.00 0.65 H new ATOM 0 HG2 LYS A 75 1.247 8.712 -0.196 1.00 0.64 H new ATOM 0 HG3 LYS A 75 2.011 7.988 1.205 1.00 0.64 H new ATOM 0 HD2 LYS A 75 1.555 10.307 2.385 1.00 0.57 H new ATOM 0 HD3 LYS A 75 0.438 10.596 1.065 1.00 0.57 H new ATOM 0 HE2 LYS A 75 -0.928 9.563 2.729 1.00 0.85 H new ATOM 0 HE3 LYS A 75 -0.569 8.249 1.626 1.00 0.85 H new ATOM 0 HZ1 LYS A 75 -0.215 7.824 4.097 1.00 0.90 H new ATOM 0 HZ2 LYS A 75 1.058 7.382 3.063 1.00 0.90 H new ATOM 0 HZ3 LYS A 75 1.162 8.810 3.976 1.00 0.90 H new ATOM 1134 N MET A 76 4.995 10.861 -1.633 1.00 0.49 N ATOM 1135 CA MET A 76 6.290 11.447 -2.123 1.00 0.46 C ATOM 1136 C MET A 76 6.100 12.160 -3.512 1.00 0.56 C ATOM 1137 O MET A 76 6.662 11.730 -4.501 1.00 1.28 O ATOM 1138 CB MET A 76 7.320 10.277 -2.314 1.00 0.51 C ATOM 1139 CG MET A 76 7.099 9.111 -1.319 1.00 0.59 C ATOM 1140 SD MET A 76 6.934 7.559 -2.240 1.00 1.24 S ATOM 1141 CE MET A 76 8.696 7.153 -2.322 1.00 0.56 C ATOM 0 H MET A 76 4.839 9.897 -1.929 1.00 0.49 H new ATOM 0 HA MET A 76 6.640 12.178 -1.394 1.00 0.46 H new ATOM 0 HB2 MET A 76 7.246 9.897 -3.333 1.00 0.51 H new ATOM 0 HB3 MET A 76 8.331 10.666 -2.191 1.00 0.51 H new ATOM 0 HG2 MET A 76 7.936 9.047 -0.624 1.00 0.59 H new ATOM 0 HG3 MET A 76 6.204 9.291 -0.724 1.00 0.59 H new ATOM 0 HE1 MET A 76 8.815 6.105 -2.595 1.00 0.56 H new ATOM 0 HE2 MET A 76 9.179 7.780 -3.071 1.00 0.56 H new ATOM 0 HE3 MET A 76 9.156 7.329 -1.350 1.00 0.56 H new ATOM 1151 N LYS A 77 5.359 13.263 -3.596 1.00 0.69 N ATOM 1152 CA LYS A 77 5.199 13.999 -4.917 1.00 1.09 C ATOM 1153 C LYS A 77 5.581 15.464 -4.714 1.00 1.65 C ATOM 1154 O LYS A 77 6.705 15.780 -4.384 1.00 1.28 O ATOM 1155 CB LYS A 77 3.746 13.937 -5.412 1.00 1.01 C ATOM 1156 CG LYS A 77 3.406 12.529 -5.872 1.00 1.74 C ATOM 1157 CD LYS A 77 2.257 12.569 -6.887 1.00 1.98 C ATOM 1158 CE LYS A 77 2.731 13.205 -8.203 1.00 2.60 C ATOM 1159 NZ LYS A 77 2.312 14.633 -8.241 1.00 2.63 N ATOM 0 H LYS A 77 4.861 13.682 -2.811 1.00 0.69 H new ATOM 0 HA LYS A 77 5.843 13.525 -5.658 1.00 1.09 H new ATOM 0 HB2 LYS A 77 3.069 14.239 -4.613 1.00 1.01 H new ATOM 0 HB3 LYS A 77 3.604 14.640 -6.233 1.00 1.01 H new ATOM 0 HG2 LYS A 77 4.283 12.063 -6.322 1.00 1.74 H new ATOM 0 HG3 LYS A 77 3.124 11.916 -5.016 1.00 1.74 H new ATOM 0 HD2 LYS A 77 1.892 11.559 -7.074 1.00 1.98 H new ATOM 0 HD3 LYS A 77 1.422 13.139 -6.479 1.00 1.98 H new ATOM 0 HE2 LYS A 77 3.815 13.130 -8.286 1.00 2.60 H new ATOM 0 HE3 LYS A 77 2.309 12.668 -9.052 1.00 2.60 H new ATOM 0 HZ1 LYS A 77 1.577 14.760 -8.966 1.00 2.63 H new ATOM 0 HZ2 LYS A 77 1.934 14.909 -7.312 1.00 2.63 H new ATOM 0 HZ3 LYS A 77 3.132 15.229 -8.472 1.00 2.63 H new ATOM 1173 N ASP A 78 4.626 16.348 -4.831 1.00 0.86 N ATOM 1174 CA ASP A 78 4.897 17.791 -4.549 1.00 0.74 C ATOM 1175 C ASP A 78 5.778 17.957 -3.311 1.00 0.73 C ATOM 1176 O ASP A 78 6.230 19.042 -3.005 1.00 0.99 O ATOM 1177 CB ASP A 78 3.575 18.531 -4.340 1.00 0.83 C ATOM 1178 CG ASP A 78 3.844 20.031 -4.206 1.00 0.78 C ATOM 1179 OD1 ASP A 78 4.413 20.595 -5.124 1.00 1.28 O ATOM 1180 OD2 ASP A 78 3.475 20.589 -3.185 1.00 1.34 O ATOM 0 H ASP A 78 3.668 16.134 -5.110 1.00 0.86 H new ATOM 0 HA ASP A 78 5.426 18.211 -5.404 1.00 0.74 H new ATOM 0 HB2 ASP A 78 2.905 18.345 -5.180 1.00 0.83 H new ATOM 0 HB3 ASP A 78 3.076 18.159 -3.445 1.00 0.83 H new ATOM 1185 N THR A 79 6.019 16.896 -2.605 1.00 0.46 N ATOM 1186 CA THR A 79 6.871 16.961 -1.371 1.00 0.42 C ATOM 1187 C THR A 79 8.013 15.945 -1.469 1.00 0.44 C ATOM 1188 O THR A 79 8.307 15.229 -0.535 1.00 0.52 O ATOM 1189 CB THR A 79 6.003 16.625 -0.158 1.00 0.47 C ATOM 1190 OG1 THR A 79 6.768 16.784 1.029 1.00 0.46 O ATOM 1191 CG2 THR A 79 5.505 15.176 -0.259 1.00 0.53 C ATOM 0 H THR A 79 5.661 15.967 -2.826 1.00 0.46 H new ATOM 0 HA THR A 79 7.292 17.961 -1.271 1.00 0.42 H new ATOM 0 HB THR A 79 5.145 17.297 -0.132 1.00 0.47 H new ATOM 0 HG1 THR A 79 7.613 16.295 0.942 1.00 0.46 H new ATOM 0 HG21 THR A 79 4.887 14.942 0.608 1.00 0.53 H new ATOM 0 HG22 THR A 79 4.915 15.057 -1.168 1.00 0.53 H new ATOM 0 HG23 THR A 79 6.359 14.499 -0.289 1.00 0.53 H new ATOM 1199 N ASP A 80 8.672 15.895 -2.592 1.00 0.38 N ATOM 1200 CA ASP A 80 9.810 14.945 -2.762 1.00 0.41 C ATOM 1201 C ASP A 80 10.709 15.002 -1.535 1.00 0.49 C ATOM 1202 O ASP A 80 10.589 15.874 -0.697 1.00 0.50 O ATOM 1203 CB ASP A 80 10.611 15.335 -4.006 1.00 0.31 C ATOM 1204 CG ASP A 80 11.531 14.182 -4.419 1.00 0.92 C ATOM 1205 OD1 ASP A 80 11.365 13.094 -3.892 1.00 1.94 O ATOM 1206 OD2 ASP A 80 12.386 14.405 -5.259 1.00 1.17 O ATOM 0 H ASP A 80 8.471 16.475 -3.406 1.00 0.38 H new ATOM 0 HA ASP A 80 9.427 13.931 -2.879 1.00 0.41 H new ATOM 0 HB2 ASP A 80 9.933 15.581 -4.823 1.00 0.31 H new ATOM 0 HB3 ASP A 80 11.202 16.228 -3.803 1.00 0.31 H new ATOM 1211 N SER A 81 11.619 14.084 -1.435 1.00 0.57 N ATOM 1212 CA SER A 81 12.546 14.072 -0.283 1.00 0.68 C ATOM 1213 C SER A 81 13.654 15.050 -0.613 1.00 0.65 C ATOM 1214 O SER A 81 14.377 15.535 0.236 1.00 0.74 O ATOM 1215 CB SER A 81 13.105 12.657 -0.107 1.00 0.79 C ATOM 1216 OG SER A 81 14.500 12.719 0.161 1.00 0.57 O ATOM 0 H SER A 81 11.761 13.333 -2.111 1.00 0.57 H new ATOM 0 HA SER A 81 12.051 14.356 0.646 1.00 0.68 H new ATOM 0 HB2 SER A 81 12.591 12.152 0.711 1.00 0.79 H new ATOM 0 HB3 SER A 81 12.924 12.070 -1.008 1.00 0.79 H new ATOM 0 HG SER A 81 14.852 11.811 0.274 1.00 0.57 H new ATOM 1222 N GLU A 82 13.770 15.330 -1.867 1.00 0.56 N ATOM 1223 CA GLU A 82 14.811 16.275 -2.344 1.00 0.59 C ATOM 1224 C GLU A 82 14.591 17.657 -1.708 1.00 0.57 C ATOM 1225 O GLU A 82 15.523 18.398 -1.465 1.00 0.52 O ATOM 1226 CB GLU A 82 14.733 16.324 -3.889 1.00 0.49 C ATOM 1227 CG GLU A 82 13.944 17.551 -4.376 1.00 1.88 C ATOM 1228 CD GLU A 82 13.595 17.378 -5.856 1.00 1.90 C ATOM 1229 OE1 GLU A 82 12.628 16.687 -6.139 1.00 2.49 O ATOM 1230 OE2 GLU A 82 14.298 17.938 -6.681 1.00 1.89 O ATOM 0 H GLU A 82 13.179 14.939 -2.601 1.00 0.56 H new ATOM 0 HA GLU A 82 15.808 15.947 -2.051 1.00 0.59 H new ATOM 0 HB2 GLU A 82 15.740 16.350 -4.304 1.00 0.49 H new ATOM 0 HB3 GLU A 82 14.259 15.415 -4.259 1.00 0.49 H new ATOM 0 HG2 GLU A 82 13.034 17.668 -3.788 1.00 1.88 H new ATOM 0 HG3 GLU A 82 14.534 18.456 -4.234 1.00 1.88 H new ATOM 1237 N GLU A 83 13.364 18.001 -1.445 1.00 0.64 N ATOM 1238 CA GLU A 83 13.064 19.329 -0.832 1.00 0.65 C ATOM 1239 C GLU A 83 13.481 19.328 0.641 1.00 0.70 C ATOM 1240 O GLU A 83 13.673 20.367 1.241 1.00 0.72 O ATOM 1241 CB GLU A 83 11.559 19.624 -0.957 1.00 0.60 C ATOM 1242 CG GLU A 83 11.251 20.150 -2.363 1.00 0.07 C ATOM 1243 CD GLU A 83 9.738 20.261 -2.550 1.00 0.51 C ATOM 1244 OE1 GLU A 83 9.105 19.232 -2.738 1.00 1.46 O ATOM 1245 OE2 GLU A 83 9.234 21.371 -2.505 1.00 0.97 O ATOM 0 H GLU A 83 12.548 17.417 -1.628 1.00 0.64 H new ATOM 0 HA GLU A 83 13.624 20.104 -1.354 1.00 0.65 H new ATOM 0 HB2 GLU A 83 10.984 18.719 -0.763 1.00 0.60 H new ATOM 0 HB3 GLU A 83 11.259 20.359 -0.210 1.00 0.60 H new ATOM 0 HG2 GLU A 83 11.718 21.124 -2.508 1.00 0.07 H new ATOM 0 HG3 GLU A 83 11.672 19.480 -3.113 1.00 0.07 H new ATOM 1252 N GLU A 84 13.628 18.177 1.229 1.00 0.71 N ATOM 1253 CA GLU A 84 14.041 18.122 2.659 1.00 0.73 C ATOM 1254 C GLU A 84 15.539 18.406 2.757 1.00 0.69 C ATOM 1255 O GLU A 84 15.993 19.126 3.627 1.00 0.71 O ATOM 1256 CB GLU A 84 13.739 16.735 3.233 1.00 0.72 C ATOM 1257 CG GLU A 84 12.244 16.620 3.538 1.00 0.87 C ATOM 1258 CD GLU A 84 11.915 17.442 4.786 1.00 1.30 C ATOM 1259 OE1 GLU A 84 12.690 17.387 5.727 1.00 2.15 O ATOM 1260 OE2 GLU A 84 10.895 18.112 4.778 1.00 1.87 O ATOM 0 H GLU A 84 13.481 17.271 0.783 1.00 0.71 H new ATOM 0 HA GLU A 84 13.488 18.869 3.229 1.00 0.73 H new ATOM 0 HB2 GLU A 84 14.036 15.964 2.522 1.00 0.72 H new ATOM 0 HB3 GLU A 84 14.319 16.572 4.141 1.00 0.72 H new ATOM 0 HG2 GLU A 84 11.660 16.977 2.690 1.00 0.87 H new ATOM 0 HG3 GLU A 84 11.973 15.576 3.695 1.00 0.87 H new ATOM 1267 N ILE A 85 16.304 17.860 1.863 1.00 0.64 N ATOM 1268 CA ILE A 85 17.772 18.108 1.897 1.00 0.59 C ATOM 1269 C ILE A 85 18.039 19.558 1.477 1.00 0.65 C ATOM 1270 O ILE A 85 18.866 20.237 2.053 1.00 0.65 O ATOM 1271 CB ILE A 85 18.502 17.137 0.944 1.00 0.48 C ATOM 1272 CG1 ILE A 85 18.610 15.751 1.607 1.00 0.43 C ATOM 1273 CG2 ILE A 85 19.912 17.678 0.643 1.00 0.45 C ATOM 1274 CD1 ILE A 85 19.269 14.761 0.645 1.00 0.32 C ATOM 0 H ILE A 85 15.981 17.253 1.110 1.00 0.64 H new ATOM 0 HA ILE A 85 18.146 17.942 2.907 1.00 0.59 H new ATOM 0 HB ILE A 85 17.942 17.049 0.013 1.00 0.48 H new ATOM 0 HG12 ILE A 85 19.194 15.822 2.525 1.00 0.43 H new ATOM 0 HG13 ILE A 85 17.619 15.394 1.887 1.00 0.43 H new ATOM 0 HG21 ILE A 85 20.428 16.993 -0.030 1.00 0.45 H new ATOM 0 HG22 ILE A 85 19.833 18.658 0.173 1.00 0.45 H new ATOM 0 HG23 ILE A 85 20.474 17.766 1.573 1.00 0.45 H new ATOM 0 HD11 ILE A 85 19.341 13.784 1.122 1.00 0.32 H new ATOM 0 HD12 ILE A 85 18.668 14.679 -0.261 1.00 0.32 H new ATOM 0 HD13 ILE A 85 20.268 15.114 0.387 1.00 0.32 H new ATOM 1286 N ARG A 86 17.354 20.035 0.475 1.00 0.70 N ATOM 1287 CA ARG A 86 17.583 21.434 0.024 1.00 0.77 C ATOM 1288 C ARG A 86 17.152 22.403 1.128 1.00 0.85 C ATOM 1289 O ARG A 86 17.752 23.443 1.315 1.00 0.82 O ATOM 1290 CB ARG A 86 16.760 21.702 -1.239 1.00 0.84 C ATOM 1291 CG ARG A 86 17.252 22.988 -1.909 1.00 0.66 C ATOM 1292 CD ARG A 86 16.507 23.203 -3.231 1.00 0.53 C ATOM 1293 NE ARG A 86 16.503 21.936 -4.035 1.00 0.88 N ATOM 1294 CZ ARG A 86 17.612 21.330 -4.368 1.00 2.11 C ATOM 1295 NH1 ARG A 86 18.766 21.906 -4.174 1.00 2.89 N ATOM 1296 NH2 ARG A 86 17.560 20.162 -4.950 1.00 2.91 N ATOM 0 H ARG A 86 16.648 19.518 -0.049 1.00 0.70 H new ATOM 0 HA ARG A 86 18.641 21.578 -0.193 1.00 0.77 H new ATOM 0 HB2 ARG A 86 16.850 20.863 -1.929 1.00 0.84 H new ATOM 0 HB3 ARG A 86 15.704 21.793 -0.985 1.00 0.84 H new ATOM 0 HG2 ARG A 86 17.090 23.839 -1.247 1.00 0.66 H new ATOM 0 HG3 ARG A 86 18.325 22.926 -2.092 1.00 0.66 H new ATOM 0 HD2 ARG A 86 15.483 23.520 -3.033 1.00 0.53 H new ATOM 0 HD3 ARG A 86 16.983 24.002 -3.800 1.00 0.53 H new ATOM 0 HE ARG A 86 15.611 21.537 -4.329 1.00 0.88 H new ATOM 0 HH11 ARG A 86 18.808 22.837 -3.759 1.00 2.89 H new ATOM 0 HH12 ARG A 86 19.626 21.425 -4.437 1.00 2.89 H new ATOM 0 HH21 ARG A 86 16.657 19.728 -5.142 1.00 2.91 H new ATOM 0 HH22 ARG A 86 18.422 19.684 -5.212 1.00 2.91 H new ATOM 1310 N GLU A 87 16.117 22.079 1.857 1.00 1.01 N ATOM 1311 CA GLU A 87 15.666 23.003 2.937 1.00 1.10 C ATOM 1312 C GLU A 87 16.745 23.078 4.025 1.00 0.94 C ATOM 1313 O GLU A 87 16.901 24.095 4.675 1.00 0.86 O ATOM 1314 CB GLU A 87 14.319 22.525 3.529 1.00 1.29 C ATOM 1315 CG GLU A 87 13.154 23.115 2.722 1.00 1.31 C ATOM 1316 CD GLU A 87 12.982 24.593 3.080 1.00 1.38 C ATOM 1317 OE1 GLU A 87 13.839 25.120 3.769 1.00 2.70 O ATOM 1318 OE2 GLU A 87 11.993 25.173 2.659 1.00 1.16 O ATOM 0 H GLU A 87 15.570 21.224 1.753 1.00 1.01 H new ATOM 0 HA GLU A 87 15.513 23.999 2.521 1.00 1.10 H new ATOM 0 HB2 GLU A 87 14.270 21.436 3.511 1.00 1.29 H new ATOM 0 HB3 GLU A 87 14.242 22.831 4.572 1.00 1.29 H new ATOM 0 HG2 GLU A 87 13.346 23.008 1.654 1.00 1.31 H new ATOM 0 HG3 GLU A 87 12.236 22.569 2.936 1.00 1.31 H new ATOM 1325 N ALA A 88 17.525 22.042 4.212 1.00 0.89 N ATOM 1326 CA ALA A 88 18.602 22.125 5.234 1.00 0.76 C ATOM 1327 C ALA A 88 19.746 22.894 4.614 1.00 0.61 C ATOM 1328 O ALA A 88 20.380 23.708 5.245 1.00 0.57 O ATOM 1329 CB ALA A 88 19.084 20.730 5.620 1.00 0.79 C ATOM 0 H ALA A 88 17.462 21.158 3.708 1.00 0.89 H new ATOM 0 HA ALA A 88 18.231 22.616 6.133 1.00 0.76 H new ATOM 0 HB1 ALA A 88 19.872 20.812 6.369 1.00 0.79 H new ATOM 0 HB2 ALA A 88 18.252 20.158 6.030 1.00 0.79 H new ATOM 0 HB3 ALA A 88 19.473 20.222 4.737 1.00 0.79 H new ATOM 1335 N PHE A 89 20.005 22.658 3.368 1.00 0.58 N ATOM 1336 CA PHE A 89 21.098 23.406 2.727 1.00 0.53 C ATOM 1337 C PHE A 89 20.685 24.879 2.692 1.00 0.60 C ATOM 1338 O PHE A 89 21.512 25.766 2.780 1.00 0.62 O ATOM 1339 CB PHE A 89 21.357 22.878 1.311 1.00 0.57 C ATOM 1340 CG PHE A 89 22.348 21.711 1.336 1.00 0.44 C ATOM 1341 CD1 PHE A 89 23.700 21.921 1.661 1.00 0.32 C ATOM 1342 CD2 PHE A 89 21.908 20.408 1.039 1.00 0.49 C ATOM 1343 CE1 PHE A 89 24.590 20.856 1.679 1.00 0.25 C ATOM 1344 CE2 PHE A 89 22.823 19.329 1.068 1.00 0.39 C ATOM 1345 CZ PHE A 89 24.169 19.574 1.386 1.00 0.25 C ATOM 0 H PHE A 89 19.514 21.989 2.775 1.00 0.58 H new ATOM 0 HA PHE A 89 22.025 23.285 3.288 1.00 0.53 H new ATOM 0 HB2 PHE A 89 20.418 22.554 0.862 1.00 0.57 H new ATOM 0 HB3 PHE A 89 21.749 23.680 0.686 1.00 0.57 H new ATOM 0 HD1 PHE A 89 24.048 22.916 1.898 1.00 0.32 H new ATOM 0 HD2 PHE A 89 20.872 20.231 0.789 1.00 0.49 H new ATOM 0 HE1 PHE A 89 25.627 21.033 1.926 1.00 0.25 H new ATOM 0 HE2 PHE A 89 22.489 18.326 0.848 1.00 0.39 H new ATOM 0 HZ PHE A 89 24.876 18.758 1.401 1.00 0.25 H new ATOM 1355 N ARG A 90 19.405 25.153 2.597 1.00 0.64 N ATOM 1356 CA ARG A 90 18.958 26.574 2.597 1.00 0.70 C ATOM 1357 C ARG A 90 19.481 27.220 3.874 1.00 0.47 C ATOM 1358 O ARG A 90 20.084 28.275 3.857 1.00 0.38 O ATOM 1359 CB ARG A 90 17.428 26.641 2.567 1.00 0.94 C ATOM 1360 CG ARG A 90 16.984 28.096 2.356 1.00 1.25 C ATOM 1361 CD ARG A 90 15.447 28.178 2.194 1.00 1.36 C ATOM 1362 NE ARG A 90 15.100 29.079 1.046 1.00 1.07 N ATOM 1363 CZ ARG A 90 15.667 30.250 0.906 1.00 1.11 C ATOM 1364 NH1 ARG A 90 16.475 30.710 1.821 1.00 1.79 N ATOM 1365 NH2 ARG A 90 15.401 30.977 -0.147 1.00 1.06 N ATOM 0 H ARG A 90 18.661 24.459 2.520 1.00 0.64 H new ATOM 0 HA ARG A 90 19.339 27.095 1.719 1.00 0.70 H new ATOM 0 HB2 ARG A 90 17.041 26.012 1.766 1.00 0.94 H new ATOM 0 HB3 ARG A 90 17.018 26.256 3.501 1.00 0.94 H new ATOM 0 HG2 ARG A 90 17.299 28.705 3.204 1.00 1.25 H new ATOM 0 HG3 ARG A 90 17.471 28.506 1.471 1.00 1.25 H new ATOM 0 HD2 ARG A 90 15.037 27.183 2.023 1.00 1.36 H new ATOM 0 HD3 ARG A 90 14.996 28.555 3.112 1.00 1.36 H new ATOM 0 HE ARG A 90 14.409 28.773 0.361 1.00 1.07 H new ATOM 0 HH11 ARG A 90 16.670 30.156 2.655 1.00 1.79 H new ATOM 0 HH12 ARG A 90 16.912 31.624 1.703 1.00 1.79 H new ATOM 0 HH21 ARG A 90 14.754 30.631 -0.855 1.00 1.06 H new ATOM 0 HH22 ARG A 90 15.841 31.890 -0.260 1.00 1.06 H new ATOM 1379 N VAL A 91 19.278 26.567 4.984 1.00 0.44 N ATOM 1380 CA VAL A 91 19.791 27.108 6.281 1.00 0.35 C ATOM 1381 C VAL A 91 21.289 27.366 6.116 1.00 0.14 C ATOM 1382 O VAL A 91 21.883 28.150 6.829 1.00 0.29 O ATOM 1383 CB VAL A 91 19.571 26.052 7.397 1.00 0.54 C ATOM 1384 CG1 VAL A 91 20.621 26.207 8.516 1.00 0.60 C ATOM 1385 CG2 VAL A 91 18.164 26.210 8.000 1.00 0.73 C ATOM 0 H VAL A 91 18.779 25.680 5.053 1.00 0.44 H new ATOM 0 HA VAL A 91 19.270 28.027 6.550 1.00 0.35 H new ATOM 0 HB VAL A 91 19.674 25.063 6.951 1.00 0.54 H new ATOM 0 HG11 VAL A 91 20.446 25.456 9.286 1.00 0.60 H new ATOM 0 HG12 VAL A 91 21.619 26.073 8.099 1.00 0.60 H new ATOM 0 HG13 VAL A 91 20.541 27.202 8.955 1.00 0.60 H new ATOM 0 HG21 VAL A 91 18.018 25.465 8.782 1.00 0.73 H new ATOM 0 HG22 VAL A 91 18.060 27.208 8.425 1.00 0.73 H new ATOM 0 HG23 VAL A 91 17.416 26.069 7.220 1.00 0.73 H new ATOM 1395 N PHE A 92 21.904 26.656 5.217 1.00 0.09 N ATOM 1396 CA PHE A 92 23.374 26.773 5.017 1.00 0.17 C ATOM 1397 C PHE A 92 23.716 27.661 3.826 1.00 0.46 C ATOM 1398 O PHE A 92 24.856 27.992 3.599 1.00 0.72 O ATOM 1399 CB PHE A 92 23.894 25.343 4.836 1.00 0.10 C ATOM 1400 CG PHE A 92 24.225 24.795 6.195 1.00 0.16 C ATOM 1401 CD1 PHE A 92 25.485 25.065 6.690 1.00 0.35 C ATOM 1402 CD2 PHE A 92 23.269 24.112 6.984 1.00 0.36 C ATOM 1403 CE1 PHE A 92 25.834 24.651 7.981 1.00 0.60 C ATOM 1404 CE2 PHE A 92 23.611 23.718 8.283 1.00 0.63 C ATOM 1405 CZ PHE A 92 24.897 23.988 8.778 1.00 0.72 C ATOM 0 H PHE A 92 21.443 25.987 4.600 1.00 0.09 H new ATOM 0 HA PHE A 92 23.848 27.253 5.873 1.00 0.17 H new ATOM 0 HB2 PHE A 92 23.142 24.723 4.348 1.00 0.10 H new ATOM 0 HB3 PHE A 92 24.777 25.336 4.197 1.00 0.10 H new ATOM 0 HD1 PHE A 92 26.202 25.596 6.081 1.00 0.35 H new ATOM 0 HD2 PHE A 92 22.287 23.897 6.589 1.00 0.36 H new ATOM 0 HE1 PHE A 92 26.827 24.844 8.361 1.00 0.60 H new ATOM 0 HE2 PHE A 92 22.888 23.208 8.902 1.00 0.63 H new ATOM 0 HZ PHE A 92 25.163 23.682 9.779 1.00 0.72 H new ATOM 1415 N ASP A 93 22.738 28.089 3.113 1.00 0.47 N ATOM 1416 CA ASP A 93 22.973 28.996 1.949 1.00 0.76 C ATOM 1417 C ASP A 93 22.939 30.441 2.458 1.00 0.53 C ATOM 1418 O ASP A 93 22.093 31.231 2.090 1.00 0.40 O ATOM 1419 CB ASP A 93 21.866 28.796 0.910 1.00 1.02 C ATOM 1420 CG ASP A 93 22.026 29.823 -0.215 1.00 1.27 C ATOM 1421 OD1 ASP A 93 22.989 30.570 -0.174 1.00 0.45 O ATOM 1422 OD2 ASP A 93 21.185 29.840 -1.096 1.00 2.30 O ATOM 0 H ASP A 93 21.760 27.853 3.279 1.00 0.47 H new ATOM 0 HA ASP A 93 23.936 28.777 1.487 1.00 0.76 H new ATOM 0 HB2 ASP A 93 21.913 27.786 0.503 1.00 1.02 H new ATOM 0 HB3 ASP A 93 20.888 28.905 1.380 1.00 1.02 H new ATOM 1427 N LYS A 94 23.855 30.767 3.331 1.00 0.68 N ATOM 1428 CA LYS A 94 23.908 32.141 3.924 1.00 0.81 C ATOM 1429 C LYS A 94 24.224 33.191 2.865 1.00 1.00 C ATOM 1430 O LYS A 94 23.991 34.368 3.058 1.00 0.96 O ATOM 1431 CB LYS A 94 24.993 32.183 5.000 1.00 1.14 C ATOM 1432 CG LYS A 94 24.641 31.225 6.148 1.00 1.08 C ATOM 1433 CD LYS A 94 23.601 31.864 7.081 1.00 1.05 C ATOM 1434 CE LYS A 94 23.531 31.064 8.385 1.00 0.63 C ATOM 1435 NZ LYS A 94 23.556 29.608 8.077 1.00 1.47 N ATOM 0 H LYS A 94 24.580 30.132 3.665 1.00 0.68 H new ATOM 0 HA LYS A 94 22.931 32.364 4.353 1.00 0.81 H new ATOM 0 HB2 LYS A 94 25.955 31.906 4.568 1.00 1.14 H new ATOM 0 HB3 LYS A 94 25.096 33.198 5.383 1.00 1.14 H new ATOM 0 HG2 LYS A 94 24.251 30.291 5.744 1.00 1.08 H new ATOM 0 HG3 LYS A 94 25.540 30.977 6.712 1.00 1.08 H new ATOM 0 HD2 LYS A 94 23.871 32.899 7.290 1.00 1.05 H new ATOM 0 HD3 LYS A 94 22.624 31.880 6.598 1.00 1.05 H new ATOM 0 HE2 LYS A 94 24.371 31.325 9.029 1.00 0.63 H new ATOM 0 HE3 LYS A 94 22.621 31.316 8.930 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 23.241 29.071 8.910 1.00 1.47 H new ATOM 0 HZ2 LYS A 94 22.920 29.411 7.278 1.00 1.47 H new ATOM 0 HZ3 LYS A 94 24.524 29.322 7.828 1.00 1.47 H new ATOM 1449 N ASP A 95 24.774 32.786 1.764 1.00 1.29 N ATOM 1450 CA ASP A 95 25.137 33.770 0.692 1.00 1.53 C ATOM 1451 C ASP A 95 24.065 33.783 -0.399 1.00 1.54 C ATOM 1452 O ASP A 95 24.193 34.473 -1.391 1.00 1.75 O ATOM 1453 CB ASP A 95 26.472 33.354 0.070 1.00 2.01 C ATOM 1454 CG ASP A 95 26.933 34.432 -0.913 1.00 2.70 C ATOM 1455 OD1 ASP A 95 26.411 35.534 -0.843 1.00 2.65 O ATOM 1456 OD2 ASP A 95 27.803 34.139 -1.716 1.00 3.47 O ATOM 0 H ASP A 95 24.993 31.813 1.549 1.00 1.29 H new ATOM 0 HA ASP A 95 25.213 34.765 1.130 1.00 1.53 H new ATOM 0 HB2 ASP A 95 27.221 33.213 0.850 1.00 2.01 H new ATOM 0 HB3 ASP A 95 26.364 32.399 -0.445 1.00 2.01 H new ATOM 1461 N GLY A 96 23.004 33.043 -0.226 1.00 1.40 N ATOM 1462 CA GLY A 96 21.925 33.029 -1.254 1.00 1.60 C ATOM 1463 C GLY A 96 22.534 32.864 -2.649 1.00 1.73 C ATOM 1464 O GLY A 96 21.873 33.059 -3.649 1.00 2.12 O ATOM 0 H GLY A 96 22.838 32.446 0.584 1.00 1.40 H new ATOM 0 HA2 GLY A 96 21.230 32.214 -1.053 1.00 1.60 H new ATOM 0 HA3 GLY A 96 21.353 33.955 -1.205 1.00 1.60 H new ATOM 1468 N ASN A 97 23.794 32.512 -2.725 1.00 1.46 N ATOM 1469 CA ASN A 97 24.453 32.343 -4.058 1.00 1.57 C ATOM 1470 C ASN A 97 24.504 30.859 -4.433 1.00 1.34 C ATOM 1471 O ASN A 97 24.969 30.498 -5.496 1.00 1.43 O ATOM 1472 CB ASN A 97 25.878 32.896 -3.986 1.00 1.58 C ATOM 1473 CG ASN A 97 26.455 33.007 -5.399 1.00 1.81 C ATOM 1474 OD1 ASN A 97 25.869 32.524 -6.349 1.00 2.67 O ATOM 1475 ND2 ASN A 97 27.590 33.625 -5.579 1.00 1.38 N ATOM 0 H ASN A 97 24.395 32.334 -1.921 1.00 1.46 H new ATOM 0 HA ASN A 97 23.882 32.882 -4.813 1.00 1.57 H new ATOM 0 HB2 ASN A 97 25.876 33.874 -3.505 1.00 1.58 H new ATOM 0 HB3 ASN A 97 26.503 32.242 -3.377 1.00 1.58 H new ATOM 0 HD21 ASN A 97 27.985 33.703 -6.516 1.00 1.38 H new ATOM 0 HD22 ASN A 97 28.082 34.030 -4.783 1.00 1.38 H new ATOM 1482 N GLY A 98 24.016 29.991 -3.586 1.00 1.16 N ATOM 1483 CA GLY A 98 24.026 28.540 -3.917 1.00 1.03 C ATOM 1484 C GLY A 98 25.403 27.937 -3.643 1.00 0.73 C ATOM 1485 O GLY A 98 25.639 26.775 -3.900 1.00 0.71 O ATOM 0 H GLY A 98 23.611 30.227 -2.680 1.00 1.16 H new ATOM 0 HA2 GLY A 98 23.271 28.021 -3.326 1.00 1.03 H new ATOM 0 HA3 GLY A 98 23.763 28.398 -4.965 1.00 1.03 H new ATOM 1489 N TYR A 99 26.318 28.718 -3.133 1.00 0.63 N ATOM 1490 CA TYR A 99 27.698 28.200 -2.844 1.00 0.44 C ATOM 1491 C TYR A 99 27.951 28.192 -1.329 1.00 0.43 C ATOM 1492 O TYR A 99 27.690 29.163 -0.647 1.00 0.48 O ATOM 1493 CB TYR A 99 28.735 29.120 -3.500 1.00 0.38 C ATOM 1494 CG TYR A 99 28.739 28.919 -4.995 1.00 0.41 C ATOM 1495 CD1 TYR A 99 29.552 27.938 -5.570 1.00 0.89 C ATOM 1496 CD2 TYR A 99 27.930 29.723 -5.809 1.00 0.93 C ATOM 1497 CE1 TYR A 99 29.562 27.759 -6.957 1.00 1.10 C ATOM 1498 CE2 TYR A 99 27.937 29.542 -7.196 1.00 0.89 C ATOM 1499 CZ TYR A 99 28.752 28.560 -7.772 1.00 0.71 C ATOM 1500 OH TYR A 99 28.761 28.385 -9.140 1.00 0.91 O ATOM 0 H TYR A 99 26.172 29.700 -2.901 1.00 0.63 H new ATOM 0 HA TYR A 99 27.782 27.187 -3.239 1.00 0.44 H new ATOM 0 HB2 TYR A 99 28.508 30.160 -3.266 1.00 0.38 H new ATOM 0 HB3 TYR A 99 29.725 28.911 -3.095 1.00 0.38 H new ATOM 0 HD1 TYR A 99 30.174 27.317 -4.942 1.00 0.89 H new ATOM 0 HD2 TYR A 99 27.302 30.482 -5.366 1.00 0.93 H new ATOM 0 HE1 TYR A 99 30.194 27.003 -7.400 1.00 1.10 H new ATOM 0 HE2 TYR A 99 27.313 30.161 -7.824 1.00 0.89 H new ATOM 0 HH TYR A 99 28.142 29.021 -9.555 1.00 0.91 H new ATOM 1510 N ILE A 100 28.490 27.114 -0.803 1.00 0.38 N ATOM 1511 CA ILE A 100 28.800 27.060 0.665 1.00 0.41 C ATOM 1512 C ILE A 100 30.148 26.344 0.871 1.00 0.30 C ATOM 1513 O ILE A 100 30.712 25.797 -0.054 1.00 0.19 O ATOM 1514 CB ILE A 100 27.701 26.322 1.436 1.00 0.52 C ATOM 1515 CG1 ILE A 100 27.339 25.009 0.748 1.00 0.64 C ATOM 1516 CG2 ILE A 100 26.454 27.195 1.562 1.00 0.48 C ATOM 1517 CD1 ILE A 100 26.351 24.221 1.629 1.00 0.50 C ATOM 0 H ILE A 100 28.728 26.271 -1.326 1.00 0.38 H new ATOM 0 HA ILE A 100 28.854 28.080 1.047 1.00 0.41 H new ATOM 0 HB ILE A 100 28.085 26.102 2.432 1.00 0.52 H new ATOM 0 HG12 ILE A 100 26.894 25.208 -0.227 1.00 0.64 H new ATOM 0 HG13 ILE A 100 28.238 24.418 0.574 1.00 0.64 H new ATOM 0 HG21 ILE A 100 25.685 26.653 2.113 1.00 0.48 H new ATOM 0 HG22 ILE A 100 26.704 28.112 2.095 1.00 0.48 H new ATOM 0 HG23 ILE A 100 26.082 27.443 0.568 1.00 0.48 H new ATOM 0 HD11 ILE A 100 26.093 23.283 1.137 1.00 0.50 H new ATOM 0 HD12 ILE A 100 26.812 24.010 2.594 1.00 0.50 H new ATOM 0 HD13 ILE A 100 25.448 24.812 1.781 1.00 0.50 H new ATOM 1529 N SER A 101 30.678 26.359 2.074 1.00 0.39 N ATOM 1530 CA SER A 101 31.997 25.689 2.319 1.00 0.37 C ATOM 1531 C SER A 101 31.831 24.174 2.495 1.00 0.28 C ATOM 1532 O SER A 101 30.850 23.697 3.028 1.00 0.38 O ATOM 1533 CB SER A 101 32.656 26.294 3.558 1.00 0.53 C ATOM 1534 OG SER A 101 31.876 25.991 4.706 1.00 0.60 O ATOM 0 H SER A 101 30.257 26.803 2.890 1.00 0.39 H new ATOM 0 HA SER A 101 32.632 25.854 1.449 1.00 0.37 H new ATOM 0 HB2 SER A 101 33.665 25.898 3.676 1.00 0.53 H new ATOM 0 HB3 SER A 101 32.749 27.374 3.443 1.00 0.53 H new ATOM 0 HG SER A 101 31.141 26.635 4.781 1.00 0.60 H new ATOM 1540 N ALA A 102 32.796 23.419 2.044 1.00 0.27 N ATOM 1541 CA ALA A 102 32.730 21.929 2.170 1.00 0.25 C ATOM 1542 C ALA A 102 32.409 21.512 3.608 1.00 0.24 C ATOM 1543 O ALA A 102 31.777 20.500 3.834 1.00 0.21 O ATOM 1544 CB ALA A 102 34.081 21.336 1.785 1.00 0.36 C ATOM 0 H ALA A 102 33.637 23.772 1.588 1.00 0.27 H new ATOM 0 HA ALA A 102 31.942 21.564 1.511 1.00 0.25 H new ATOM 0 HB1 ALA A 102 34.041 20.250 1.874 1.00 0.36 H new ATOM 0 HB2 ALA A 102 34.317 21.607 0.756 1.00 0.36 H new ATOM 0 HB3 ALA A 102 34.852 21.726 2.449 1.00 0.36 H new ATOM 1550 N ALA A 103 32.844 22.258 4.581 1.00 0.31 N ATOM 1551 CA ALA A 103 32.561 21.873 5.994 1.00 0.30 C ATOM 1552 C ALA A 103 31.092 22.133 6.297 1.00 0.33 C ATOM 1553 O ALA A 103 30.356 21.247 6.674 1.00 0.37 O ATOM 1554 CB ALA A 103 33.436 22.698 6.941 1.00 0.28 C ATOM 0 H ALA A 103 33.382 23.116 4.463 1.00 0.31 H new ATOM 0 HA ALA A 103 32.784 20.815 6.136 1.00 0.30 H new ATOM 0 HB1 ALA A 103 33.226 22.413 7.972 1.00 0.28 H new ATOM 0 HB2 ALA A 103 34.487 22.512 6.720 1.00 0.28 H new ATOM 0 HB3 ALA A 103 33.219 23.758 6.806 1.00 0.28 H new ATOM 1560 N GLU A 104 30.666 23.341 6.124 1.00 0.34 N ATOM 1561 CA GLU A 104 29.243 23.686 6.379 1.00 0.40 C ATOM 1562 C GLU A 104 28.357 22.829 5.446 1.00 0.44 C ATOM 1563 O GLU A 104 27.226 22.528 5.767 1.00 0.49 O ATOM 1564 CB GLU A 104 29.090 25.210 6.181 1.00 0.60 C ATOM 1565 CG GLU A 104 28.710 25.580 4.761 1.00 1.50 C ATOM 1566 CD GLU A 104 28.555 27.103 4.689 1.00 1.25 C ATOM 1567 OE1 GLU A 104 29.565 27.776 4.570 1.00 0.48 O ATOM 1568 OE2 GLU A 104 27.430 27.569 4.754 1.00 1.97 O ATOM 0 H GLU A 104 31.247 24.119 5.812 1.00 0.34 H new ATOM 0 HA GLU A 104 28.922 23.460 7.396 1.00 0.40 H new ATOM 0 HB2 GLU A 104 28.330 25.587 6.866 1.00 0.60 H new ATOM 0 HB3 GLU A 104 30.027 25.702 6.442 1.00 0.60 H new ATOM 0 HG2 GLU A 104 29.475 25.242 4.062 1.00 1.50 H new ATOM 0 HG3 GLU A 104 27.779 25.089 4.476 1.00 1.50 H new ATOM 1575 N LEU A 105 28.888 22.372 4.332 1.00 0.42 N ATOM 1576 CA LEU A 105 28.103 21.466 3.426 1.00 0.46 C ATOM 1577 C LEU A 105 28.130 20.077 4.064 1.00 0.39 C ATOM 1578 O LEU A 105 27.108 19.464 4.297 1.00 0.42 O ATOM 1579 CB LEU A 105 28.769 21.422 2.038 1.00 0.53 C ATOM 1580 CG LEU A 105 28.223 20.222 1.177 1.00 0.37 C ATOM 1581 CD1 LEU A 105 27.736 20.663 -0.217 1.00 0.16 C ATOM 1582 CD2 LEU A 105 29.314 19.173 0.985 1.00 0.59 C ATOM 0 H LEU A 105 29.832 22.588 4.011 1.00 0.42 H new ATOM 0 HA LEU A 105 27.079 21.818 3.301 1.00 0.46 H new ATOM 0 HB2 LEU A 105 28.586 22.360 1.515 1.00 0.53 H new ATOM 0 HB3 LEU A 105 29.849 21.327 2.154 1.00 0.53 H new ATOM 0 HG LEU A 105 27.376 19.812 1.727 1.00 0.37 H new ATOM 0 HD11 LEU A 105 27.371 19.795 -0.766 1.00 0.16 H new ATOM 0 HD12 LEU A 105 26.930 21.389 -0.108 1.00 0.16 H new ATOM 0 HD13 LEU A 105 28.562 21.117 -0.764 1.00 0.16 H new ATOM 0 HD21 LEU A 105 28.925 18.348 0.388 1.00 0.59 H new ATOM 0 HD22 LEU A 105 30.164 19.622 0.472 1.00 0.59 H new ATOM 0 HD23 LEU A 105 29.633 18.798 1.957 1.00 0.59 H new ATOM 1594 N ARG A 106 29.302 19.592 4.377 1.00 0.34 N ATOM 1595 CA ARG A 106 29.413 18.263 5.036 1.00 0.30 C ATOM 1596 C ARG A 106 28.547 18.313 6.292 1.00 0.22 C ATOM 1597 O ARG A 106 27.970 17.333 6.716 1.00 0.19 O ATOM 1598 CB ARG A 106 30.876 18.010 5.438 1.00 0.37 C ATOM 1599 CG ARG A 106 31.654 17.348 4.284 1.00 0.90 C ATOM 1600 CD ARG A 106 33.181 17.388 4.561 1.00 1.03 C ATOM 1601 NE ARG A 106 33.787 16.016 4.441 1.00 1.34 N ATOM 1602 CZ ARG A 106 33.304 14.986 5.090 1.00 1.47 C ATOM 1603 NH1 ARG A 106 32.335 15.140 5.947 1.00 1.67 N ATOM 1604 NH2 ARG A 106 33.818 13.799 4.905 1.00 2.26 N ATOM 0 H ARG A 106 30.190 20.063 4.203 1.00 0.34 H new ATOM 0 HA ARG A 106 29.090 17.467 4.366 1.00 0.30 H new ATOM 0 HB2 ARG A 106 31.351 18.953 5.710 1.00 0.37 H new ATOM 0 HB3 ARG A 106 30.910 17.370 6.320 1.00 0.37 H new ATOM 0 HG2 ARG A 106 31.328 16.315 4.164 1.00 0.90 H new ATOM 0 HG3 ARG A 106 31.435 17.862 3.348 1.00 0.90 H new ATOM 0 HD2 ARG A 106 33.664 18.066 3.857 1.00 1.03 H new ATOM 0 HD3 ARG A 106 33.363 17.784 5.560 1.00 1.03 H new ATOM 0 HE ARG A 106 34.598 15.884 3.836 1.00 1.34 H new ATOM 0 HH11 ARG A 106 31.947 16.068 6.117 1.00 1.67 H new ATOM 0 HH12 ARG A 106 31.964 14.333 6.448 1.00 1.67 H new ATOM 0 HH21 ARG A 106 34.595 13.675 4.256 1.00 2.26 H new ATOM 0 HH22 ARG A 106 33.443 12.996 5.410 1.00 2.26 H new ATOM 1618 N HIS A 107 28.472 19.472 6.881 1.00 0.23 N ATOM 1619 CA HIS A 107 27.668 19.656 8.109 1.00 0.18 C ATOM 1620 C HIS A 107 26.186 19.512 7.766 1.00 0.10 C ATOM 1621 O HIS A 107 25.427 18.893 8.483 1.00 0.07 O ATOM 1622 CB HIS A 107 27.946 21.055 8.666 1.00 0.24 C ATOM 1623 CG HIS A 107 27.352 21.163 10.031 1.00 0.44 C ATOM 1624 ND1 HIS A 107 28.104 21.075 11.192 1.00 0.85 N ATOM 1625 CD2 HIS A 107 26.068 21.350 10.422 1.00 0.77 C ATOM 1626 CE1 HIS A 107 27.254 21.211 12.227 1.00 0.87 C ATOM 1627 NE2 HIS A 107 25.994 21.381 11.812 1.00 0.84 N ATOM 0 H HIS A 107 28.945 20.314 6.553 1.00 0.23 H new ATOM 0 HA HIS A 107 27.932 18.906 8.855 1.00 0.18 H new ATOM 0 HB2 HIS A 107 29.020 21.237 8.708 1.00 0.24 H new ATOM 0 HB3 HIS A 107 27.520 21.813 8.009 1.00 0.24 H new ATOM 0 HD2 HIS A 107 25.226 21.459 9.754 1.00 0.77 H new ATOM 0 HE1 HIS A 107 27.553 21.186 13.265 1.00 0.87 H new ATOM 0 HE2 HIS A 107 25.161 21.506 12.388 1.00 0.84 H new ATOM 1635 N VAL A 108 25.772 20.063 6.659 1.00 0.11 N ATOM 1636 CA VAL A 108 24.346 19.941 6.254 1.00 0.09 C ATOM 1637 C VAL A 108 24.000 18.457 6.164 1.00 0.06 C ATOM 1638 O VAL A 108 22.920 18.034 6.523 1.00 0.13 O ATOM 1639 CB VAL A 108 24.134 20.575 4.863 1.00 0.13 C ATOM 1640 CG1 VAL A 108 22.708 20.233 4.347 1.00 0.15 C ATOM 1641 CG2 VAL A 108 24.316 22.102 4.965 1.00 0.26 C ATOM 0 H VAL A 108 26.361 20.593 6.017 1.00 0.11 H new ATOM 0 HA VAL A 108 23.715 20.449 6.983 1.00 0.09 H new ATOM 0 HB VAL A 108 24.866 20.177 4.160 1.00 0.13 H new ATOM 0 HG11 VAL A 108 22.559 20.681 3.365 1.00 0.15 H new ATOM 0 HG12 VAL A 108 22.598 19.151 4.273 1.00 0.15 H new ATOM 0 HG13 VAL A 108 21.966 20.627 5.041 1.00 0.15 H new ATOM 0 HG21 VAL A 108 24.167 22.553 3.984 1.00 0.26 H new ATOM 0 HG22 VAL A 108 23.587 22.509 5.666 1.00 0.26 H new ATOM 0 HG23 VAL A 108 25.323 22.326 5.318 1.00 0.26 H new ATOM 1651 N MET A 109 24.915 17.667 5.661 1.00 0.05 N ATOM 1652 CA MET A 109 24.647 16.214 5.510 1.00 0.13 C ATOM 1653 C MET A 109 24.681 15.504 6.875 1.00 0.19 C ATOM 1654 O MET A 109 24.022 14.500 7.069 1.00 0.27 O ATOM 1655 CB MET A 109 25.697 15.604 4.569 1.00 0.15 C ATOM 1656 CG MET A 109 25.671 16.339 3.220 1.00 0.04 C ATOM 1657 SD MET A 109 27.200 15.989 2.316 1.00 0.08 S ATOM 1658 CE MET A 109 26.643 14.473 1.500 1.00 0.11 C ATOM 0 H MET A 109 25.837 17.972 5.349 1.00 0.05 H new ATOM 0 HA MET A 109 23.651 16.079 5.087 1.00 0.13 H new ATOM 0 HB2 MET A 109 26.688 15.679 5.016 1.00 0.15 H new ATOM 0 HB3 MET A 109 25.494 14.543 4.420 1.00 0.15 H new ATOM 0 HG2 MET A 109 24.808 16.019 2.635 1.00 0.04 H new ATOM 0 HG3 MET A 109 25.567 17.412 3.380 1.00 0.04 H new ATOM 0 HE1 MET A 109 27.504 13.938 1.099 1.00 0.11 H new ATOM 0 HE2 MET A 109 26.126 13.840 2.222 1.00 0.11 H new ATOM 0 HE3 MET A 109 25.963 14.726 0.687 1.00 0.11 H new ATOM 1668 N THR A 110 25.442 15.996 7.827 1.00 0.18 N ATOM 1669 CA THR A 110 25.513 15.330 9.152 1.00 0.24 C ATOM 1670 C THR A 110 24.365 15.812 10.057 1.00 0.21 C ATOM 1671 O THR A 110 23.709 15.025 10.711 1.00 0.23 O ATOM 1672 CB THR A 110 26.889 15.669 9.774 1.00 0.28 C ATOM 1673 OG1 THR A 110 27.587 16.540 8.894 1.00 0.32 O ATOM 1674 CG2 THR A 110 27.720 14.399 9.979 1.00 0.41 C ATOM 0 H THR A 110 26.016 16.834 7.734 1.00 0.18 H new ATOM 0 HA THR A 110 25.408 14.250 9.045 1.00 0.24 H new ATOM 0 HB THR A 110 26.731 16.144 10.742 1.00 0.28 H new ATOM 0 HG1 THR A 110 27.722 16.094 8.032 1.00 0.32 H new ATOM 0 HG21 THR A 110 28.683 14.661 10.417 1.00 0.41 H new ATOM 0 HG22 THR A 110 27.190 13.721 10.648 1.00 0.41 H new ATOM 0 HG23 THR A 110 27.880 13.910 9.018 1.00 0.41 H new ATOM 1682 N ASN A 111 24.130 17.097 10.118 1.00 0.18 N ATOM 1683 CA ASN A 111 23.044 17.614 10.999 1.00 0.18 C ATOM 1684 C ASN A 111 21.697 17.090 10.519 1.00 0.16 C ATOM 1685 O ASN A 111 20.759 16.953 11.281 1.00 0.12 O ATOM 1686 CB ASN A 111 23.039 19.143 10.965 1.00 0.20 C ATOM 1687 CG ASN A 111 21.857 19.669 11.782 1.00 0.68 C ATOM 1688 OD1 ASN A 111 20.769 19.827 11.266 1.00 1.43 O ATOM 1689 ND2 ASN A 111 22.027 19.951 13.045 1.00 0.93 N ATOM 0 H ASN A 111 24.642 17.808 9.597 1.00 0.18 H new ATOM 0 HA ASN A 111 23.219 17.274 12.020 1.00 0.18 H new ATOM 0 HB2 ASN A 111 23.975 19.529 11.369 1.00 0.20 H new ATOM 0 HB3 ASN A 111 22.968 19.494 9.936 1.00 0.20 H new ATOM 0 HD21 ASN A 111 21.246 20.304 13.598 1.00 0.93 H new ATOM 0 HD22 ASN A 111 22.941 19.818 13.479 1.00 0.93 H new ATOM 1696 N LEU A 112 21.592 16.807 9.261 1.00 0.21 N ATOM 1697 CA LEU A 112 20.302 16.302 8.715 1.00 0.21 C ATOM 1698 C LEU A 112 19.915 15.003 9.409 1.00 0.19 C ATOM 1699 O LEU A 112 18.757 14.650 9.509 1.00 0.17 O ATOM 1700 CB LEU A 112 20.441 16.067 7.198 1.00 0.28 C ATOM 1701 CG LEU A 112 20.047 17.338 6.425 1.00 0.29 C ATOM 1702 CD1 LEU A 112 20.425 17.168 4.953 1.00 0.36 C ATOM 1703 CD2 LEU A 112 18.527 17.598 6.543 1.00 0.26 C ATOM 0 H LEU A 112 22.344 16.902 8.579 1.00 0.21 H new ATOM 0 HA LEU A 112 19.522 17.042 8.895 1.00 0.21 H new ATOM 0 HB2 LEU A 112 21.468 15.790 6.958 1.00 0.28 H new ATOM 0 HB3 LEU A 112 19.807 15.235 6.892 1.00 0.28 H new ATOM 0 HG LEU A 112 20.578 18.190 6.850 1.00 0.29 H new ATOM 0 HD11 LEU A 112 20.148 18.066 4.400 1.00 0.36 H new ATOM 0 HD12 LEU A 112 21.500 17.008 4.870 1.00 0.36 H new ATOM 0 HD13 LEU A 112 19.897 16.309 4.539 1.00 0.36 H new ATOM 0 HD21 LEU A 112 18.268 18.501 5.990 1.00 0.26 H new ATOM 0 HD22 LEU A 112 17.980 16.750 6.130 1.00 0.26 H new ATOM 0 HD23 LEU A 112 18.260 17.726 7.592 1.00 0.26 H new ATOM 1715 N GLY A 113 20.876 14.301 9.880 1.00 0.21 N ATOM 1716 CA GLY A 113 20.604 13.011 10.576 1.00 0.20 C ATOM 1717 C GLY A 113 20.548 11.884 9.546 1.00 0.23 C ATOM 1718 O GLY A 113 19.807 10.932 9.693 1.00 0.22 O ATOM 0 H GLY A 113 21.862 14.557 9.819 1.00 0.21 H new ATOM 0 HA2 GLY A 113 21.384 12.809 11.311 1.00 0.20 H new ATOM 0 HA3 GLY A 113 19.661 13.070 11.120 1.00 0.20 H new ATOM 1722 N GLU A 114 21.329 11.981 8.505 1.00 0.44 N ATOM 1723 CA GLU A 114 21.326 10.919 7.472 1.00 0.58 C ATOM 1724 C GLU A 114 22.174 9.740 7.980 1.00 0.55 C ATOM 1725 O GLU A 114 23.198 9.939 8.602 1.00 0.68 O ATOM 1726 CB GLU A 114 21.941 11.477 6.184 1.00 0.85 C ATOM 1727 CG GLU A 114 20.990 12.503 5.549 1.00 0.91 C ATOM 1728 CD GLU A 114 19.896 11.782 4.757 1.00 0.55 C ATOM 1729 OE1 GLU A 114 20.241 10.988 3.897 1.00 1.34 O ATOM 1730 OE2 GLU A 114 18.732 12.038 5.023 1.00 1.04 O ATOM 0 H GLU A 114 21.970 12.755 8.329 1.00 0.44 H new ATOM 0 HA GLU A 114 20.308 10.584 7.273 1.00 0.58 H new ATOM 0 HB2 GLU A 114 22.901 11.945 6.403 1.00 0.85 H new ATOM 0 HB3 GLU A 114 22.135 10.666 5.482 1.00 0.85 H new ATOM 0 HG2 GLU A 114 20.540 13.123 6.324 1.00 0.91 H new ATOM 0 HG3 GLU A 114 21.548 13.170 4.891 1.00 0.91 H new ATOM 1737 N LYS A 115 21.762 8.515 7.743 1.00 0.43 N ATOM 1738 CA LYS A 115 22.558 7.357 8.242 1.00 0.46 C ATOM 1739 C LYS A 115 23.713 7.080 7.289 1.00 0.49 C ATOM 1740 O LYS A 115 24.066 5.950 7.019 1.00 0.60 O ATOM 1741 CB LYS A 115 21.666 6.126 8.331 1.00 0.53 C ATOM 1742 CG LYS A 115 20.775 6.214 9.578 1.00 0.61 C ATOM 1743 CD LYS A 115 19.987 4.914 9.741 1.00 0.82 C ATOM 1744 CE LYS A 115 18.989 5.064 10.891 1.00 1.34 C ATOM 1745 NZ LYS A 115 17.972 6.094 10.534 1.00 2.01 N ATOM 0 H LYS A 115 20.915 8.273 7.229 1.00 0.43 H new ATOM 0 HA LYS A 115 22.954 7.591 9.230 1.00 0.46 H new ATOM 0 HB2 LYS A 115 21.048 6.049 7.437 1.00 0.53 H new ATOM 0 HB3 LYS A 115 22.278 5.225 8.374 1.00 0.53 H new ATOM 0 HG2 LYS A 115 21.387 6.393 10.462 1.00 0.61 H new ATOM 0 HG3 LYS A 115 20.090 7.057 9.489 1.00 0.61 H new ATOM 0 HD2 LYS A 115 19.460 4.677 8.817 1.00 0.82 H new ATOM 0 HD3 LYS A 115 20.667 4.086 9.941 1.00 0.82 H new ATOM 0 HE2 LYS A 115 18.501 4.110 11.091 1.00 1.34 H new ATOM 0 HE3 LYS A 115 19.510 5.353 11.804 1.00 1.34 H new ATOM 0 HZ1 LYS A 115 17.102 5.926 11.078 1.00 2.01 H new ATOM 0 HZ2 LYS A 115 18.343 7.040 10.757 1.00 2.01 H new ATOM 0 HZ3 LYS A 115 17.761 6.036 9.517 1.00 2.01 H new ATOM 1759 N LEU A 116 24.303 8.116 6.800 1.00 0.46 N ATOM 1760 CA LEU A 116 25.461 7.971 5.868 1.00 0.53 C ATOM 1761 C LEU A 116 26.759 8.049 6.676 1.00 0.42 C ATOM 1762 O LEU A 116 26.923 8.909 7.519 1.00 0.41 O ATOM 1763 CB LEU A 116 25.442 9.101 4.830 1.00 0.65 C ATOM 1764 CG LEU A 116 24.136 9.053 4.017 1.00 1.18 C ATOM 1765 CD1 LEU A 116 23.903 10.407 3.338 1.00 1.36 C ATOM 1766 CD2 LEU A 116 24.218 7.964 2.938 1.00 1.98 C ATOM 0 H LEU A 116 24.036 9.079 7.003 1.00 0.46 H new ATOM 0 HA LEU A 116 25.396 7.013 5.353 1.00 0.53 H new ATOM 0 HB2 LEU A 116 25.533 10.065 5.330 1.00 0.65 H new ATOM 0 HB3 LEU A 116 26.298 9.006 4.162 1.00 0.65 H new ATOM 0 HG LEU A 116 23.313 8.828 4.695 1.00 1.18 H new ATOM 0 HD11 LEU A 116 22.978 10.371 2.763 1.00 1.36 H new ATOM 0 HD12 LEU A 116 23.829 11.186 4.096 1.00 1.36 H new ATOM 0 HD13 LEU A 116 24.736 10.628 2.671 1.00 1.36 H new ATOM 0 HD21 LEU A 116 23.287 7.942 2.371 1.00 1.98 H new ATOM 0 HD22 LEU A 116 25.047 8.181 2.265 1.00 1.98 H new ATOM 0 HD23 LEU A 116 24.378 6.995 3.411 1.00 1.98 H new ATOM 1778 N THR A 117 27.681 7.157 6.431 1.00 0.51 N ATOM 1779 CA THR A 117 28.965 7.181 7.192 1.00 0.46 C ATOM 1780 C THR A 117 29.935 8.164 6.530 1.00 0.37 C ATOM 1781 O THR A 117 29.898 8.374 5.335 1.00 0.36 O ATOM 1782 CB THR A 117 29.586 5.779 7.193 1.00 0.66 C ATOM 1783 OG1 THR A 117 29.804 5.359 5.853 1.00 0.76 O ATOM 1784 CG2 THR A 117 28.643 4.794 7.891 1.00 0.74 C ATOM 0 H THR A 117 27.601 6.413 5.738 1.00 0.51 H new ATOM 0 HA THR A 117 28.771 7.495 8.217 1.00 0.46 H new ATOM 0 HB THR A 117 30.536 5.806 7.727 1.00 0.66 H new ATOM 0 HG1 THR A 117 30.203 4.464 5.852 1.00 0.76 H new ATOM 0 HG21 THR A 117 29.089 3.799 7.889 1.00 0.74 H new ATOM 0 HG22 THR A 117 28.478 5.115 8.919 1.00 0.74 H new ATOM 0 HG23 THR A 117 27.690 4.765 7.362 1.00 0.74 H new ATOM 1792 N ASP A 118 30.806 8.766 7.296 1.00 0.33 N ATOM 1793 CA ASP A 118 31.776 9.728 6.702 1.00 0.26 C ATOM 1794 C ASP A 118 32.443 9.087 5.484 1.00 0.21 C ATOM 1795 O ASP A 118 32.887 9.764 4.577 1.00 0.12 O ATOM 1796 CB ASP A 118 32.843 10.096 7.736 1.00 0.34 C ATOM 1797 CG ASP A 118 32.184 10.785 8.931 1.00 0.38 C ATOM 1798 OD1 ASP A 118 32.055 11.998 8.893 1.00 1.18 O ATOM 1799 OD2 ASP A 118 31.819 10.089 9.865 1.00 0.71 O ATOM 0 H ASP A 118 30.887 8.633 8.304 1.00 0.33 H new ATOM 0 HA ASP A 118 31.248 10.632 6.397 1.00 0.26 H new ATOM 0 HB2 ASP A 118 33.369 9.200 8.065 1.00 0.34 H new ATOM 0 HB3 ASP A 118 33.586 10.755 7.288 1.00 0.34 H new ATOM 1804 N GLU A 119 32.513 7.783 5.454 1.00 0.27 N ATOM 1805 CA GLU A 119 33.143 7.097 4.292 1.00 0.22 C ATOM 1806 C GLU A 119 32.267 7.300 3.055 1.00 0.19 C ATOM 1807 O GLU A 119 32.736 7.710 2.014 1.00 0.14 O ATOM 1808 CB GLU A 119 33.274 5.603 4.590 1.00 0.25 C ATOM 1809 CG GLU A 119 34.227 5.398 5.772 1.00 0.42 C ATOM 1810 CD GLU A 119 33.520 5.790 7.071 1.00 1.24 C ATOM 1811 OE1 GLU A 119 32.837 4.947 7.629 1.00 1.37 O ATOM 1812 OE2 GLU A 119 33.674 6.927 7.487 1.00 2.28 O ATOM 0 H GLU A 119 32.161 7.164 6.185 1.00 0.27 H new ATOM 0 HA GLU A 119 34.133 7.515 4.111 1.00 0.22 H new ATOM 0 HB2 GLU A 119 32.296 5.180 4.820 1.00 0.25 H new ATOM 0 HB3 GLU A 119 33.649 5.078 3.712 1.00 0.25 H new ATOM 0 HG2 GLU A 119 34.546 4.357 5.819 1.00 0.42 H new ATOM 0 HG3 GLU A 119 35.125 6.001 5.638 1.00 0.42 H new ATOM 1819 N GLU A 120 30.999 7.027 3.162 1.00 0.26 N ATOM 1820 CA GLU A 120 30.106 7.218 1.986 1.00 0.27 C ATOM 1821 C GLU A 120 30.278 8.647 1.466 1.00 0.24 C ATOM 1822 O GLU A 120 30.259 8.897 0.276 1.00 0.23 O ATOM 1823 CB GLU A 120 28.648 6.995 2.403 1.00 0.34 C ATOM 1824 CG GLU A 120 28.373 5.495 2.530 1.00 0.39 C ATOM 1825 CD GLU A 120 26.912 5.278 2.932 1.00 0.24 C ATOM 1826 OE1 GLU A 120 26.620 5.384 4.111 1.00 0.48 O ATOM 1827 OE2 GLU A 120 26.110 5.006 2.053 1.00 0.14 O ATOM 0 H GLU A 120 30.543 6.682 4.007 1.00 0.26 H new ATOM 0 HA GLU A 120 30.365 6.504 1.204 1.00 0.27 H new ATOM 0 HB2 GLU A 120 28.451 7.493 3.353 1.00 0.34 H new ATOM 0 HB3 GLU A 120 27.977 7.437 1.666 1.00 0.34 H new ATOM 0 HG2 GLU A 120 28.579 4.995 1.584 1.00 0.39 H new ATOM 0 HG3 GLU A 120 29.036 5.054 3.275 1.00 0.39 H new ATOM 1834 N VAL A 121 30.458 9.585 2.354 1.00 0.25 N ATOM 1835 CA VAL A 121 30.646 10.998 1.928 1.00 0.24 C ATOM 1836 C VAL A 121 31.969 11.128 1.178 1.00 0.17 C ATOM 1837 O VAL A 121 32.059 11.783 0.158 1.00 0.17 O ATOM 1838 CB VAL A 121 30.667 11.904 3.164 1.00 0.32 C ATOM 1839 CG1 VAL A 121 30.982 13.338 2.742 1.00 0.14 C ATOM 1840 CG2 VAL A 121 29.297 11.863 3.849 1.00 0.56 C ATOM 0 H VAL A 121 30.483 9.431 3.362 1.00 0.25 H new ATOM 0 HA VAL A 121 29.826 11.295 1.274 1.00 0.24 H new ATOM 0 HB VAL A 121 31.432 11.554 3.857 1.00 0.32 H new ATOM 0 HG11 VAL A 121 30.997 13.981 3.622 1.00 0.14 H new ATOM 0 HG12 VAL A 121 31.956 13.368 2.254 1.00 0.14 H new ATOM 0 HG13 VAL A 121 30.218 13.689 2.048 1.00 0.14 H new ATOM 0 HG21 VAL A 121 29.310 12.507 4.728 1.00 0.56 H new ATOM 0 HG22 VAL A 121 28.533 12.212 3.155 1.00 0.56 H new ATOM 0 HG23 VAL A 121 29.072 10.840 4.152 1.00 0.56 H new ATOM 1850 N ASP A 122 32.998 10.509 1.678 1.00 0.15 N ATOM 1851 CA ASP A 122 34.322 10.589 0.999 1.00 0.14 C ATOM 1852 C ASP A 122 34.159 10.199 -0.471 1.00 0.15 C ATOM 1853 O ASP A 122 34.839 10.712 -1.338 1.00 0.20 O ATOM 1854 CB ASP A 122 35.314 9.639 1.679 1.00 0.18 C ATOM 1855 CG ASP A 122 35.707 10.205 3.044 1.00 0.27 C ATOM 1856 OD1 ASP A 122 36.356 11.237 3.073 1.00 1.30 O ATOM 1857 OD2 ASP A 122 35.353 9.595 4.040 1.00 1.07 O ATOM 0 H ASP A 122 32.981 9.949 2.530 1.00 0.15 H new ATOM 0 HA ASP A 122 34.704 11.608 1.067 1.00 0.14 H new ATOM 0 HB2 ASP A 122 34.866 8.652 1.798 1.00 0.18 H new ATOM 0 HB3 ASP A 122 36.200 9.514 1.056 1.00 0.18 H new ATOM 1862 N GLU A 123 33.252 9.303 -0.764 1.00 0.16 N ATOM 1863 CA GLU A 123 33.037 8.897 -2.180 1.00 0.25 C ATOM 1864 C GLU A 123 32.345 10.062 -2.894 1.00 0.22 C ATOM 1865 O GLU A 123 32.671 10.419 -4.006 1.00 0.24 O ATOM 1866 CB GLU A 123 32.178 7.599 -2.204 1.00 0.33 C ATOM 1867 CG GLU A 123 30.885 7.773 -3.019 1.00 1.46 C ATOM 1868 CD GLU A 123 30.125 6.446 -3.058 1.00 1.92 C ATOM 1869 OE1 GLU A 123 29.453 6.142 -2.088 1.00 2.84 O ATOM 1870 OE2 GLU A 123 30.229 5.758 -4.060 1.00 1.86 O ATOM 0 H GLU A 123 32.653 8.837 -0.083 1.00 0.16 H new ATOM 0 HA GLU A 123 33.974 8.679 -2.692 1.00 0.25 H new ATOM 0 HB2 GLU A 123 32.765 6.784 -2.627 1.00 0.33 H new ATOM 0 HB3 GLU A 123 31.926 7.313 -1.183 1.00 0.33 H new ATOM 0 HG2 GLU A 123 30.262 8.548 -2.572 1.00 1.46 H new ATOM 0 HG3 GLU A 123 31.122 8.099 -4.032 1.00 1.46 H new ATOM 1877 N MET A 124 31.392 10.656 -2.241 1.00 0.19 N ATOM 1878 CA MET A 124 30.667 11.806 -2.842 1.00 0.20 C ATOM 1879 C MET A 124 31.634 12.986 -2.995 1.00 0.18 C ATOM 1880 O MET A 124 31.492 13.810 -3.877 1.00 0.20 O ATOM 1881 CB MET A 124 29.496 12.163 -1.944 1.00 0.22 C ATOM 1882 CG MET A 124 28.546 10.965 -1.843 1.00 0.25 C ATOM 1883 SD MET A 124 26.956 11.516 -1.170 1.00 0.34 S ATOM 1884 CE MET A 124 26.344 9.891 -0.668 1.00 0.29 C ATOM 0 H MET A 124 31.080 10.392 -1.306 1.00 0.19 H new ATOM 0 HA MET A 124 30.284 11.551 -3.830 1.00 0.20 H new ATOM 0 HB2 MET A 124 29.855 12.440 -0.953 1.00 0.22 H new ATOM 0 HB3 MET A 124 28.967 13.028 -2.345 1.00 0.22 H new ATOM 0 HG2 MET A 124 28.402 10.517 -2.826 1.00 0.25 H new ATOM 0 HG3 MET A 124 28.978 10.196 -1.202 1.00 0.25 H new ATOM 0 HE1 MET A 124 25.357 9.997 -0.219 1.00 0.29 H new ATOM 0 HE2 MET A 124 26.278 9.242 -1.541 1.00 0.29 H new ATOM 0 HE3 MET A 124 27.028 9.453 0.059 1.00 0.29 H new ATOM 1894 N ILE A 125 32.633 13.057 -2.152 1.00 0.18 N ATOM 1895 CA ILE A 125 33.632 14.165 -2.251 1.00 0.19 C ATOM 1896 C ILE A 125 34.621 13.872 -3.400 1.00 0.18 C ATOM 1897 O ILE A 125 35.156 14.775 -4.010 1.00 0.18 O ATOM 1898 CB ILE A 125 34.379 14.278 -0.908 1.00 0.20 C ATOM 1899 CG1 ILE A 125 33.446 14.971 0.105 1.00 0.16 C ATOM 1900 CG2 ILE A 125 35.670 15.092 -1.087 1.00 0.28 C ATOM 1901 CD1 ILE A 125 34.119 15.123 1.468 1.00 0.17 C ATOM 0 H ILE A 125 32.800 12.393 -1.396 1.00 0.18 H new ATOM 0 HA ILE A 125 33.129 15.108 -2.464 1.00 0.19 H new ATOM 0 HB ILE A 125 34.652 13.287 -0.546 1.00 0.20 H new ATOM 0 HG12 ILE A 125 33.161 15.953 -0.273 1.00 0.16 H new ATOM 0 HG13 ILE A 125 32.529 14.392 0.213 1.00 0.16 H new ATOM 0 HG21 ILE A 125 36.189 15.165 -0.132 1.00 0.28 H new ATOM 0 HG22 ILE A 125 36.315 14.597 -1.813 1.00 0.28 H new ATOM 0 HG23 ILE A 125 35.423 16.092 -1.443 1.00 0.28 H new ATOM 0 HD11 ILE A 125 33.435 15.615 2.159 1.00 0.17 H new ATOM 0 HD12 ILE A 125 34.381 14.139 1.856 1.00 0.17 H new ATOM 0 HD13 ILE A 125 35.022 15.724 1.363 1.00 0.17 H new ATOM 1913 N ARG A 126 34.876 12.623 -3.686 1.00 0.19 N ATOM 1914 CA ARG A 126 35.838 12.275 -4.779 1.00 0.21 C ATOM 1915 C ARG A 126 35.436 12.966 -6.094 1.00 0.14 C ATOM 1916 O ARG A 126 36.231 13.651 -6.706 1.00 0.21 O ATOM 1917 CB ARG A 126 35.857 10.745 -4.981 1.00 0.29 C ATOM 1918 CG ARG A 126 36.890 10.094 -4.045 1.00 0.34 C ATOM 1919 CD ARG A 126 36.906 8.564 -4.256 1.00 1.26 C ATOM 1920 NE ARG A 126 37.051 7.872 -2.934 1.00 1.61 N ATOM 1921 CZ ARG A 126 37.968 8.234 -2.076 1.00 1.21 C ATOM 1922 NH1 ARG A 126 38.871 9.115 -2.405 1.00 0.59 N ATOM 1923 NH2 ARG A 126 38.007 7.677 -0.897 1.00 1.88 N ATOM 0 H ARG A 126 34.459 11.824 -3.209 1.00 0.19 H new ATOM 0 HA ARG A 126 36.832 12.620 -4.494 1.00 0.21 H new ATOM 0 HB2 ARG A 126 34.867 10.333 -4.783 1.00 0.29 H new ATOM 0 HB3 ARG A 126 36.098 10.512 -6.018 1.00 0.29 H new ATOM 0 HG2 ARG A 126 37.880 10.506 -4.240 1.00 0.34 H new ATOM 0 HG3 ARG A 126 36.648 10.324 -3.007 1.00 0.34 H new ATOM 0 HD2 ARG A 126 35.985 8.245 -4.745 1.00 1.26 H new ATOM 0 HD3 ARG A 126 37.729 8.287 -4.914 1.00 1.26 H new ATOM 0 HE ARG A 126 36.422 7.104 -2.700 1.00 1.61 H new ATOM 0 HH11 ARG A 126 38.865 9.527 -3.338 1.00 0.59 H new ATOM 0 HH12 ARG A 126 39.583 9.392 -1.729 1.00 0.59 H new ATOM 0 HH21 ARG A 126 37.324 6.962 -0.648 1.00 1.88 H new ATOM 0 HH22 ARG A 126 38.721 7.956 -0.224 1.00 1.88 H new ATOM 1937 N GLU A 127 34.226 12.772 -6.556 1.00 0.11 N ATOM 1938 CA GLU A 127 33.824 13.403 -7.855 1.00 0.22 C ATOM 1939 C GLU A 127 33.462 14.885 -7.660 1.00 0.29 C ATOM 1940 O GLU A 127 33.460 15.654 -8.602 1.00 0.38 O ATOM 1941 CB GLU A 127 32.620 12.650 -8.443 1.00 0.29 C ATOM 1942 CG GLU A 127 33.083 11.301 -8.997 1.00 0.25 C ATOM 1943 CD GLU A 127 33.854 11.521 -10.299 1.00 1.81 C ATOM 1944 OE1 GLU A 127 33.406 12.324 -11.101 1.00 2.64 O ATOM 1945 OE2 GLU A 127 34.880 10.883 -10.472 1.00 2.61 O ATOM 0 H GLU A 127 33.506 12.212 -6.099 1.00 0.11 H new ATOM 0 HA GLU A 127 34.668 13.344 -8.542 1.00 0.22 H new ATOM 0 HB2 GLU A 127 31.862 12.499 -7.675 1.00 0.29 H new ATOM 0 HB3 GLU A 127 32.159 13.241 -9.234 1.00 0.29 H new ATOM 0 HG2 GLU A 127 33.716 10.795 -8.268 1.00 0.25 H new ATOM 0 HG3 GLU A 127 32.223 10.655 -9.176 1.00 0.25 H new ATOM 1952 N ALA A 128 33.195 15.312 -6.452 1.00 0.28 N ATOM 1953 CA ALA A 128 32.883 16.740 -6.207 1.00 0.37 C ATOM 1954 C ALA A 128 34.190 17.438 -5.898 1.00 0.41 C ATOM 1955 O ALA A 128 34.484 17.700 -4.755 1.00 0.42 O ATOM 1956 CB ALA A 128 31.953 16.900 -5.014 1.00 0.33 C ATOM 0 H ALA A 128 33.181 14.721 -5.621 1.00 0.28 H new ATOM 0 HA ALA A 128 32.391 17.163 -7.083 1.00 0.37 H new ATOM 0 HB1 ALA A 128 31.741 17.958 -4.857 1.00 0.33 H new ATOM 0 HB2 ALA A 128 31.021 16.367 -5.205 1.00 0.33 H new ATOM 0 HB3 ALA A 128 32.429 16.490 -4.124 1.00 0.33 H new ATOM 1962 N ASP A 129 34.964 17.706 -6.902 1.00 0.46 N ATOM 1963 CA ASP A 129 36.294 18.374 -6.712 1.00 0.52 C ATOM 1964 C ASP A 129 36.169 19.457 -5.633 1.00 0.54 C ATOM 1965 O ASP A 129 35.933 20.619 -5.900 1.00 0.58 O ATOM 1966 CB ASP A 129 36.728 19.002 -8.043 1.00 0.57 C ATOM 1967 CG ASP A 129 36.260 18.116 -9.201 1.00 0.64 C ATOM 1968 OD1 ASP A 129 36.126 16.922 -8.992 1.00 1.82 O ATOM 1969 OD2 ASP A 129 36.043 18.649 -10.277 1.00 0.82 O ATOM 0 H ASP A 129 34.735 17.489 -7.872 1.00 0.46 H new ATOM 0 HA ASP A 129 37.040 17.645 -6.396 1.00 0.52 H new ATOM 0 HB2 ASP A 129 36.304 20.001 -8.141 1.00 0.57 H new ATOM 0 HB3 ASP A 129 37.812 19.111 -8.070 1.00 0.57 H new ATOM 1974 N ILE A 130 36.256 19.027 -4.413 1.00 0.51 N ATOM 1975 CA ILE A 130 36.077 19.925 -3.241 1.00 0.54 C ATOM 1976 C ILE A 130 37.352 20.707 -2.923 1.00 0.58 C ATOM 1977 O ILE A 130 37.415 21.487 -1.995 1.00 0.67 O ATOM 1978 CB ILE A 130 35.665 19.005 -2.072 1.00 0.51 C ATOM 1979 CG1 ILE A 130 34.122 18.678 -2.141 1.00 0.50 C ATOM 1980 CG2 ILE A 130 36.088 19.601 -0.727 1.00 0.63 C ATOM 1981 CD1 ILE A 130 33.415 18.898 -0.790 1.00 0.55 C ATOM 0 H ILE A 130 36.451 18.056 -4.169 1.00 0.51 H new ATOM 0 HA ILE A 130 35.319 20.684 -3.436 1.00 0.54 H new ATOM 0 HB ILE A 130 36.194 18.057 -2.167 1.00 0.51 H new ATOM 0 HG12 ILE A 130 33.654 19.305 -2.900 1.00 0.50 H new ATOM 0 HG13 ILE A 130 33.986 17.643 -2.455 1.00 0.50 H new ATOM 0 HG21 ILE A 130 35.785 18.932 0.079 1.00 0.63 H new ATOM 0 HG22 ILE A 130 37.171 19.725 -0.708 1.00 0.63 H new ATOM 0 HG23 ILE A 130 35.610 20.571 -0.592 1.00 0.63 H new ATOM 0 HD11 ILE A 130 32.356 18.659 -0.890 1.00 0.55 H new ATOM 0 HD12 ILE A 130 33.863 18.251 -0.035 1.00 0.55 H new ATOM 0 HD13 ILE A 130 33.525 19.939 -0.487 1.00 0.55 H new ATOM 1993 N ASP A 131 38.329 20.510 -3.705 1.00 0.56 N ATOM 1994 CA ASP A 131 39.620 21.207 -3.544 1.00 0.59 C ATOM 1995 C ASP A 131 39.822 22.042 -4.790 1.00 0.46 C ATOM 1996 O ASP A 131 38.878 22.417 -5.459 1.00 0.39 O ATOM 1997 CB ASP A 131 40.752 20.174 -3.390 1.00 0.80 C ATOM 1998 CG ASP A 131 42.020 20.867 -2.889 1.00 0.84 C ATOM 1999 OD1 ASP A 131 41.894 21.849 -2.175 1.00 1.47 O ATOM 2000 OD2 ASP A 131 43.098 20.407 -3.228 1.00 1.21 O ATOM 0 H ASP A 131 38.300 19.864 -4.494 1.00 0.56 H new ATOM 0 HA ASP A 131 39.627 21.838 -2.655 1.00 0.59 H new ATOM 0 HB2 ASP A 131 40.452 19.394 -2.690 1.00 0.80 H new ATOM 0 HB3 ASP A 131 40.946 19.688 -4.346 1.00 0.80 H new ATOM 2005 N GLY A 132 41.024 22.345 -5.108 1.00 0.52 N ATOM 2006 CA GLY A 132 41.276 23.175 -6.310 1.00 0.53 C ATOM 2007 C GLY A 132 40.796 24.603 -6.035 1.00 0.53 C ATOM 2008 O GLY A 132 41.319 25.555 -6.578 1.00 0.64 O ATOM 0 H GLY A 132 41.856 22.058 -4.592 1.00 0.52 H new ATOM 0 HA2 GLY A 132 42.339 23.174 -6.553 1.00 0.53 H new ATOM 0 HA3 GLY A 132 40.752 22.760 -7.171 1.00 0.53 H new ATOM 2012 N ASP A 133 39.798 24.760 -5.191 1.00 0.45 N ATOM 2013 CA ASP A 133 39.275 26.127 -4.875 1.00 0.44 C ATOM 2014 C ASP A 133 39.077 26.262 -3.364 1.00 0.50 C ATOM 2015 O ASP A 133 39.923 26.769 -2.655 1.00 0.68 O ATOM 2016 CB ASP A 133 37.936 26.333 -5.583 1.00 0.26 C ATOM 2017 CG ASP A 133 38.169 26.459 -7.089 1.00 1.43 C ATOM 2018 OD1 ASP A 133 38.452 27.559 -7.533 1.00 1.51 O ATOM 2019 OD2 ASP A 133 38.065 25.453 -7.771 1.00 2.81 O ATOM 0 H ASP A 133 39.324 23.997 -4.708 1.00 0.45 H new ATOM 0 HA ASP A 133 39.988 26.877 -5.216 1.00 0.44 H new ATOM 0 HB2 ASP A 133 37.271 25.495 -5.376 1.00 0.26 H new ATOM 0 HB3 ASP A 133 37.446 27.230 -5.204 1.00 0.26 H new ATOM 2024 N GLY A 134 37.960 25.809 -2.865 1.00 0.41 N ATOM 2025 CA GLY A 134 37.696 25.905 -1.399 1.00 0.53 C ATOM 2026 C GLY A 134 36.188 25.836 -1.149 1.00 0.39 C ATOM 2027 O GLY A 134 35.735 25.319 -0.148 1.00 0.32 O ATOM 0 H GLY A 134 37.215 25.375 -3.410 1.00 0.41 H new ATOM 0 HA2 GLY A 134 38.200 25.094 -0.874 1.00 0.53 H new ATOM 0 HA3 GLY A 134 38.099 26.839 -1.006 1.00 0.53 H new ATOM 2031 N GLN A 135 35.408 26.340 -2.072 1.00 0.39 N ATOM 2032 CA GLN A 135 33.917 26.301 -1.934 1.00 0.29 C ATOM 2033 C GLN A 135 33.371 25.346 -2.998 1.00 0.47 C ATOM 2034 O GLN A 135 34.072 24.978 -3.920 1.00 0.81 O ATOM 2035 CB GLN A 135 33.341 27.703 -2.165 1.00 0.29 C ATOM 2036 CG GLN A 135 34.079 28.725 -1.284 1.00 0.18 C ATOM 2037 CD GLN A 135 33.197 29.960 -1.070 1.00 0.12 C ATOM 2038 OE1 GLN A 135 32.100 29.853 -0.557 1.00 0.60 O ATOM 2039 NE2 GLN A 135 33.629 31.132 -1.444 1.00 0.63 N ATOM 0 H GLN A 135 35.744 26.783 -2.927 1.00 0.39 H new ATOM 0 HA GLN A 135 33.637 25.964 -0.936 1.00 0.29 H new ATOM 0 HB2 GLN A 135 33.439 27.977 -3.215 1.00 0.29 H new ATOM 0 HB3 GLN A 135 32.276 27.711 -1.932 1.00 0.29 H new ATOM 0 HG2 GLN A 135 34.331 28.276 -0.323 1.00 0.18 H new ATOM 0 HG3 GLN A 135 35.018 29.015 -1.756 1.00 0.18 H new ATOM 0 HE21 GLN A 135 34.549 31.223 -1.874 1.00 0.63 H new ATOM 0 HE22 GLN A 135 33.047 31.958 -1.306 1.00 0.63 H new ATOM 2048 N VAL A 136 32.137 24.926 -2.885 1.00 0.31 N ATOM 2049 CA VAL A 136 31.576 23.982 -3.891 1.00 0.47 C ATOM 2050 C VAL A 136 30.100 24.307 -4.112 1.00 0.57 C ATOM 2051 O VAL A 136 29.407 24.744 -3.210 1.00 0.57 O ATOM 2052 CB VAL A 136 31.702 22.556 -3.340 1.00 0.40 C ATOM 2053 CG1 VAL A 136 31.712 21.515 -4.469 1.00 0.65 C ATOM 2054 CG2 VAL A 136 32.999 22.433 -2.537 1.00 0.53 C ATOM 0 H VAL A 136 31.496 25.197 -2.139 1.00 0.31 H new ATOM 0 HA VAL A 136 32.114 24.070 -4.835 1.00 0.47 H new ATOM 0 HB VAL A 136 30.839 22.364 -2.703 1.00 0.40 H new ATOM 0 HG11 VAL A 136 31.802 20.516 -4.042 1.00 0.65 H new ATOM 0 HG12 VAL A 136 30.784 21.585 -5.036 1.00 0.65 H new ATOM 0 HG13 VAL A 136 32.557 21.704 -5.131 1.00 0.65 H new ATOM 0 HG21 VAL A 136 33.090 21.420 -2.145 1.00 0.53 H new ATOM 0 HG22 VAL A 136 33.849 22.649 -3.184 1.00 0.53 H new ATOM 0 HG23 VAL A 136 32.983 23.142 -1.709 1.00 0.53 H new ATOM 2064 N ASN A 137 29.603 24.075 -5.292 1.00 0.79 N ATOM 2065 CA ASN A 137 28.164 24.343 -5.550 1.00 0.97 C ATOM 2066 C ASN A 137 27.366 23.135 -5.071 1.00 0.83 C ATOM 2067 O ASN A 137 27.085 22.209 -5.806 1.00 1.21 O ATOM 2068 CB ASN A 137 27.928 24.624 -7.052 1.00 1.24 C ATOM 2069 CG ASN A 137 26.526 24.197 -7.503 1.00 0.84 C ATOM 2070 OD1 ASN A 137 26.305 23.053 -7.846 1.00 1.21 O ATOM 2071 ND2 ASN A 137 25.569 25.085 -7.532 1.00 1.07 N ATOM 0 H ASN A 137 30.129 23.712 -6.087 1.00 0.79 H new ATOM 0 HA ASN A 137 27.836 25.230 -5.007 1.00 0.97 H new ATOM 0 HB2 ASN A 137 28.063 25.688 -7.247 1.00 1.24 H new ATOM 0 HB3 ASN A 137 28.676 24.094 -7.642 1.00 1.24 H new ATOM 0 HD21 ASN A 137 24.635 24.818 -7.843 1.00 1.07 H new ATOM 0 HD22 ASN A 137 25.756 26.045 -7.244 1.00 1.07 H new ATOM 2078 N TYR A 138 27.005 23.163 -3.830 1.00 1.09 N ATOM 2079 CA TYR A 138 26.219 22.062 -3.223 1.00 0.96 C ATOM 2080 C TYR A 138 25.157 21.498 -4.184 1.00 0.86 C ATOM 2081 O TYR A 138 24.731 20.373 -4.031 1.00 0.72 O ATOM 2082 CB TYR A 138 25.484 22.636 -2.014 1.00 1.10 C ATOM 2083 CG TYR A 138 24.362 23.596 -2.433 1.00 0.69 C ATOM 2084 CD1 TYR A 138 24.472 24.459 -3.549 1.00 1.63 C ATOM 2085 CD2 TYR A 138 23.206 23.635 -1.660 1.00 0.69 C ATOM 2086 CE1 TYR A 138 23.447 25.332 -3.868 1.00 1.62 C ATOM 2087 CE2 TYR A 138 22.163 24.515 -1.984 1.00 0.85 C ATOM 2088 CZ TYR A 138 22.285 25.368 -3.090 1.00 0.81 C ATOM 2089 OH TYR A 138 21.263 26.237 -3.410 1.00 1.23 O ATOM 0 H TYR A 138 27.227 23.925 -3.189 1.00 1.09 H new ATOM 0 HA TYR A 138 26.906 21.256 -2.964 1.00 0.96 H new ATOM 0 HB2 TYR A 138 25.064 21.822 -1.423 1.00 1.10 H new ATOM 0 HB3 TYR A 138 26.192 23.162 -1.374 1.00 1.10 H new ATOM 0 HD1 TYR A 138 25.364 24.436 -4.157 1.00 1.63 H new ATOM 0 HD2 TYR A 138 23.111 22.983 -0.804 1.00 0.69 H new ATOM 0 HE1 TYR A 138 23.544 25.988 -4.721 1.00 1.62 H new ATOM 0 HE2 TYR A 138 21.267 24.536 -1.382 1.00 0.85 H new ATOM 0 HH TYR A 138 20.531 26.131 -2.768 1.00 1.23 H new ATOM 2099 N GLU A 139 24.702 22.248 -5.146 1.00 0.95 N ATOM 2100 CA GLU A 139 23.652 21.712 -6.057 1.00 0.88 C ATOM 2101 C GLU A 139 24.054 20.321 -6.563 1.00 0.72 C ATOM 2102 O GLU A 139 23.236 19.426 -6.650 1.00 0.69 O ATOM 2103 CB GLU A 139 23.443 22.683 -7.237 1.00 0.87 C ATOM 2104 CG GLU A 139 21.980 22.661 -7.675 1.00 0.33 C ATOM 2105 CD GLU A 139 21.826 23.424 -8.993 1.00 0.80 C ATOM 2106 OE1 GLU A 139 21.929 24.639 -8.968 1.00 1.48 O ATOM 2107 OE2 GLU A 139 21.606 22.778 -10.004 1.00 1.25 O ATOM 0 H GLU A 139 25.008 23.201 -5.341 1.00 0.95 H new ATOM 0 HA GLU A 139 22.713 21.619 -5.511 1.00 0.88 H new ATOM 0 HB2 GLU A 139 23.729 23.693 -6.943 1.00 0.87 H new ATOM 0 HB3 GLU A 139 24.086 22.400 -8.071 1.00 0.87 H new ATOM 0 HG2 GLU A 139 21.642 21.632 -7.797 1.00 0.33 H new ATOM 0 HG3 GLU A 139 21.353 23.113 -6.906 1.00 0.33 H new ATOM 2114 N GLU A 140 25.300 20.121 -6.894 1.00 0.64 N ATOM 2115 CA GLU A 140 25.726 18.780 -7.385 1.00 0.48 C ATOM 2116 C GLU A 140 25.666 17.777 -6.227 1.00 0.39 C ATOM 2117 O GLU A 140 25.335 16.621 -6.408 1.00 0.36 O ATOM 2118 CB GLU A 140 27.159 18.860 -7.919 1.00 0.44 C ATOM 2119 CG GLU A 140 27.183 19.716 -9.190 1.00 0.89 C ATOM 2120 CD GLU A 140 28.558 19.613 -9.851 1.00 1.38 C ATOM 2121 OE1 GLU A 140 29.063 18.505 -9.952 1.00 1.48 O ATOM 2122 OE2 GLU A 140 29.084 20.640 -10.245 1.00 2.41 O ATOM 0 H GLU A 140 26.038 20.824 -6.846 1.00 0.64 H new ATOM 0 HA GLU A 140 25.061 18.456 -8.186 1.00 0.48 H new ATOM 0 HB2 GLU A 140 27.816 19.292 -7.164 1.00 0.44 H new ATOM 0 HB3 GLU A 140 27.535 17.860 -8.134 1.00 0.44 H new ATOM 0 HG2 GLU A 140 26.410 19.381 -9.881 1.00 0.89 H new ATOM 0 HG3 GLU A 140 26.963 20.755 -8.945 1.00 0.89 H new ATOM 2129 N PHE A 141 25.987 18.214 -5.037 1.00 0.35 N ATOM 2130 CA PHE A 141 25.955 17.293 -3.859 1.00 0.26 C ATOM 2131 C PHE A 141 24.495 16.964 -3.498 1.00 0.28 C ATOM 2132 O PHE A 141 24.173 15.850 -3.135 1.00 0.28 O ATOM 2133 CB PHE A 141 26.662 17.980 -2.657 1.00 0.24 C ATOM 2134 CG PHE A 141 27.942 17.258 -2.295 1.00 0.23 C ATOM 2135 CD1 PHE A 141 27.879 16.046 -1.606 1.00 0.19 C ATOM 2136 CD2 PHE A 141 29.190 17.803 -2.642 1.00 0.31 C ATOM 2137 CE1 PHE A 141 29.054 15.378 -1.264 1.00 0.24 C ATOM 2138 CE2 PHE A 141 30.365 17.124 -2.291 1.00 0.30 C ATOM 2139 CZ PHE A 141 30.290 15.920 -1.606 1.00 0.27 C ATOM 0 H PHE A 141 26.271 19.171 -4.829 1.00 0.35 H new ATOM 0 HA PHE A 141 26.474 16.365 -4.101 1.00 0.26 H new ATOM 0 HB2 PHE A 141 26.884 19.018 -2.906 1.00 0.24 H new ATOM 0 HB3 PHE A 141 25.993 17.994 -1.797 1.00 0.24 H new ATOM 0 HD1 PHE A 141 26.921 15.626 -1.338 1.00 0.19 H new ATOM 0 HD2 PHE A 141 29.244 18.740 -3.176 1.00 0.31 H new ATOM 0 HE1 PHE A 141 29.005 14.439 -0.733 1.00 0.24 H new ATOM 0 HE2 PHE A 141 31.327 17.538 -2.554 1.00 0.30 H new ATOM 0 HZ PHE A 141 31.197 15.399 -1.336 1.00 0.27 H new ATOM 2149 N VAL A 142 23.622 17.926 -3.583 1.00 0.53 N ATOM 2150 CA VAL A 142 22.192 17.679 -3.231 1.00 0.59 C ATOM 2151 C VAL A 142 21.614 16.588 -4.141 1.00 0.66 C ATOM 2152 O VAL A 142 20.830 15.765 -3.717 1.00 0.77 O ATOM 2153 CB VAL A 142 21.396 18.974 -3.424 1.00 0.81 C ATOM 2154 CG1 VAL A 142 19.897 18.693 -3.259 1.00 0.87 C ATOM 2155 CG2 VAL A 142 21.843 20.003 -2.383 1.00 0.80 C ATOM 0 H VAL A 142 23.835 18.878 -3.882 1.00 0.53 H new ATOM 0 HA VAL A 142 22.125 17.354 -2.193 1.00 0.59 H new ATOM 0 HB VAL A 142 21.578 19.364 -4.425 1.00 0.81 H new ATOM 0 HG11 VAL A 142 19.336 19.617 -3.397 1.00 0.87 H new ATOM 0 HG12 VAL A 142 19.580 17.962 -4.002 1.00 0.87 H new ATOM 0 HG13 VAL A 142 19.708 18.300 -2.260 1.00 0.87 H new ATOM 0 HG21 VAL A 142 21.278 20.926 -2.518 1.00 0.80 H new ATOM 0 HG22 VAL A 142 21.663 19.610 -1.382 1.00 0.80 H new ATOM 0 HG23 VAL A 142 22.907 20.207 -2.507 1.00 0.80 H new ATOM 2165 N GLN A 143 21.986 16.588 -5.394 1.00 0.71 N ATOM 2166 CA GLN A 143 21.444 15.565 -6.333 1.00 0.79 C ATOM 2167 C GLN A 143 22.103 14.204 -6.078 1.00 0.67 C ATOM 2168 O GLN A 143 21.543 13.169 -6.379 1.00 0.78 O ATOM 2169 CB GLN A 143 21.721 16.002 -7.772 1.00 0.90 C ATOM 2170 CG GLN A 143 20.882 17.238 -8.099 1.00 1.05 C ATOM 2171 CD GLN A 143 21.355 17.842 -9.421 1.00 1.70 C ATOM 2172 OE1 GLN A 143 21.886 17.148 -10.265 1.00 1.79 O ATOM 2173 NE2 GLN A 143 21.184 19.117 -9.640 1.00 2.38 N ATOM 0 H GLN A 143 22.641 17.252 -5.807 1.00 0.71 H new ATOM 0 HA GLN A 143 20.370 15.472 -6.173 1.00 0.79 H new ATOM 0 HB2 GLN A 143 22.781 16.225 -7.898 1.00 0.90 H new ATOM 0 HB3 GLN A 143 21.481 15.193 -8.462 1.00 0.90 H new ATOM 0 HG2 GLN A 143 19.828 16.967 -8.167 1.00 1.05 H new ATOM 0 HG3 GLN A 143 20.971 17.973 -7.299 1.00 1.05 H new ATOM 0 HE21 GLN A 143 20.738 19.701 -8.932 1.00 2.38 H new ATOM 0 HE22 GLN A 143 21.496 19.530 -10.519 1.00 2.38 H new ATOM 2182 N MET A 144 23.288 14.195 -5.535 1.00 0.47 N ATOM 2183 CA MET A 144 23.977 12.895 -5.279 1.00 0.42 C ATOM 2184 C MET A 144 23.351 12.209 -4.058 1.00 0.46 C ATOM 2185 O MET A 144 23.146 11.010 -4.054 1.00 0.62 O ATOM 2186 CB MET A 144 25.477 13.139 -5.034 1.00 0.25 C ATOM 2187 CG MET A 144 26.222 13.235 -6.372 1.00 0.26 C ATOM 2188 SD MET A 144 28.005 13.363 -6.059 1.00 0.61 S ATOM 2189 CE MET A 144 28.239 15.075 -6.600 1.00 0.92 C ATOM 0 H MET A 144 23.809 15.027 -5.258 1.00 0.47 H new ATOM 0 HA MET A 144 23.860 12.249 -6.149 1.00 0.42 H new ATOM 0 HB2 MET A 144 25.615 14.058 -4.465 1.00 0.25 H new ATOM 0 HB3 MET A 144 25.892 12.328 -4.435 1.00 0.25 H new ATOM 0 HG2 MET A 144 26.011 12.357 -6.983 1.00 0.26 H new ATOM 0 HG3 MET A 144 25.876 14.104 -6.932 1.00 0.26 H new ATOM 0 HE1 MET A 144 29.305 15.297 -6.655 1.00 0.92 H new ATOM 0 HE2 MET A 144 27.789 15.211 -7.583 1.00 0.92 H new ATOM 0 HE3 MET A 144 27.764 15.750 -5.888 1.00 0.92 H new ATOM 2199 N MET A 145 23.051 12.946 -3.028 1.00 0.36 N ATOM 2200 CA MET A 145 22.444 12.311 -1.826 1.00 0.38 C ATOM 2201 C MET A 145 21.091 11.706 -2.209 1.00 0.55 C ATOM 2202 O MET A 145 20.588 10.821 -1.547 1.00 0.62 O ATOM 2203 CB MET A 145 22.247 13.370 -0.729 1.00 0.32 C ATOM 2204 CG MET A 145 23.615 13.803 -0.129 1.00 0.10 C ATOM 2205 SD MET A 145 23.621 13.548 1.668 1.00 0.17 S ATOM 2206 CE MET A 145 22.393 14.804 2.108 1.00 0.23 C ATOM 0 H MET A 145 23.198 13.953 -2.965 1.00 0.36 H new ATOM 0 HA MET A 145 23.102 11.527 -1.451 1.00 0.38 H new ATOM 0 HB2 MET A 145 21.735 14.239 -1.143 1.00 0.32 H new ATOM 0 HB3 MET A 145 21.609 12.970 0.059 1.00 0.32 H new ATOM 0 HG2 MET A 145 24.420 13.228 -0.588 1.00 0.10 H new ATOM 0 HG3 MET A 145 23.804 14.852 -0.355 1.00 0.10 H new ATOM 0 HE1 MET A 145 22.715 15.328 3.008 1.00 0.23 H new ATOM 0 HE2 MET A 145 22.293 15.517 1.290 1.00 0.23 H new ATOM 0 HE3 MET A 145 21.431 14.324 2.291 1.00 0.23 H new ATOM 2216 N THR A 146 20.502 12.177 -3.274 1.00 0.64 N ATOM 2217 CA THR A 146 19.198 11.644 -3.709 1.00 0.80 C ATOM 2218 C THR A 146 19.419 10.333 -4.463 1.00 0.82 C ATOM 2219 O THR A 146 19.208 9.254 -3.947 1.00 0.53 O ATOM 2220 CB THR A 146 18.556 12.706 -4.624 1.00 0.89 C ATOM 2221 OG1 THR A 146 19.522 13.703 -4.912 1.00 0.86 O ATOM 2222 CG2 THR A 146 17.360 13.362 -3.929 1.00 0.92 C ATOM 0 H THR A 146 20.881 12.918 -3.863 1.00 0.64 H new ATOM 0 HA THR A 146 18.543 11.438 -2.862 1.00 0.80 H new ATOM 0 HB THR A 146 18.213 12.225 -5.540 1.00 0.89 H new ATOM 0 HG1 THR A 146 20.009 13.461 -5.727 1.00 0.86 H new ATOM 0 HG21 THR A 146 16.920 14.109 -4.590 1.00 0.92 H new ATOM 0 HG22 THR A 146 16.615 12.602 -3.693 1.00 0.92 H new ATOM 0 HG23 THR A 146 17.693 13.843 -3.009 1.00 0.92 H new ATOM 2230 N ALA A 147 19.850 10.439 -5.677 1.00 1.30 N ATOM 2231 CA ALA A 147 20.108 9.241 -6.505 1.00 1.41 C ATOM 2232 C ALA A 147 20.602 9.694 -7.870 1.00 2.32 C ATOM 2233 O ALA A 147 19.916 10.375 -8.607 1.00 2.88 O ATOM 2234 CB ALA A 147 18.838 8.415 -6.680 1.00 1.49 C ATOM 0 H ALA A 147 20.039 11.327 -6.143 1.00 1.30 H new ATOM 0 HA ALA A 147 20.855 8.621 -6.010 1.00 1.41 H new ATOM 0 HB1 ALA A 147 19.055 7.540 -7.293 1.00 1.49 H new ATOM 0 HB2 ALA A 147 18.476 8.094 -5.704 1.00 1.49 H new ATOM 0 HB3 ALA A 147 18.075 9.020 -7.169 1.00 1.49 H new ATOM 2240 N LYS A 148 21.789 9.316 -8.197 1.00 2.59 N ATOM 2241 CA LYS A 148 22.384 9.701 -9.511 1.00 3.51 C ATOM 2242 C LYS A 148 21.349 9.531 -10.626 1.00 4.22 C ATOM 2243 O LYS A 148 20.455 8.716 -10.462 1.00 4.26 O ATOM 2244 CB LYS A 148 23.587 8.799 -9.795 1.00 3.64 C ATOM 2245 CG LYS A 148 24.649 8.993 -8.698 1.00 3.12 C ATOM 2246 CD LYS A 148 25.557 7.761 -8.630 1.00 3.18 C ATOM 2247 CE LYS A 148 26.115 7.451 -10.023 1.00 4.86 C ATOM 2248 NZ LYS A 148 27.308 6.568 -9.892 1.00 5.37 N ATOM 2249 OXT LYS A 148 21.467 10.219 -11.628 1.00 4.86 O ATOM 0 H LYS A 148 22.393 8.745 -7.606 1.00 2.59 H new ATOM 0 HA LYS A 148 22.698 10.744 -9.474 1.00 3.51 H new ATOM 0 HB2 LYS A 148 23.272 7.756 -9.830 1.00 3.64 H new ATOM 0 HB3 LYS A 148 24.010 9.037 -10.771 1.00 3.64 H new ATOM 0 HG2 LYS A 148 25.243 9.883 -8.908 1.00 3.12 H new ATOM 0 HG3 LYS A 148 24.165 9.153 -7.735 1.00 3.12 H new ATOM 0 HD2 LYS A 148 26.375 7.939 -7.932 1.00 3.18 H new ATOM 0 HD3 LYS A 148 24.997 6.905 -8.254 1.00 3.18 H new ATOM 0 HE2 LYS A 148 25.353 6.964 -10.632 1.00 4.86 H new ATOM 0 HE3 LYS A 148 26.387 8.376 -10.532 1.00 4.86 H new ATOM 0 HZ1 LYS A 148 27.689 6.356 -10.836 1.00 5.37 H new ATOM 0 HZ2 LYS A 148 28.035 7.049 -9.326 1.00 5.37 H new ATOM 0 HZ3 LYS A 148 27.034 5.681 -9.422 1.00 5.37 H new TER 2263 LYS A 148