USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 135:sc= 1.46 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.231 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.184 K(o=0.42,f=-4.8!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0.869 (180deg=-0.191) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.891 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.21 (180deg=2.11) USER MOD Single : A 2 GLN : amide:sc= 0.323 X(o=0.32,f=-0.06) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.86 (180deg=1.7) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.819 X(o=-0.82,f=-0.64) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0278) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.36 K(o=1.4,f=-0.98) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.748 K(o=0.75,f=-5.2!) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.461 USER MOD Single : A 60 ASN : amide:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 99:sc= 0.376 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.215 F(o=-0.86,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.194 -6.989 -5.162 1.00 9.67 N ATOM 2 CA MET A 1 11.288 -7.497 -3.770 1.00 10.38 C ATOM 3 C MET A 1 9.907 -7.808 -3.191 1.00 9.62 C ATOM 4 O MET A 1 8.957 -7.283 -3.710 1.00 9.62 O ATOM 5 CB MET A 1 11.949 -6.404 -2.889 1.00 13.77 C ATOM 6 CG MET A 1 11.228 -5.020 -2.827 1.00 16.29 C ATOM 7 SD MET A 1 12.230 -3.910 -1.851 1.00 17.17 S ATOM 8 CE MET A 1 11.046 -2.552 -1.986 1.00 16.11 C ATOM 0 H1 MET A 1 12.141 -6.725 -5.500 1.00 9.67 H new ATOM 0 H2 MET A 1 10.802 -7.731 -5.777 1.00 9.67 H new ATOM 0 H3 MET A 1 10.573 -6.155 -5.186 1.00 9.67 H new ATOM 0 HA MET A 1 11.876 -8.415 -3.780 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.031 -6.790 -1.873 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.964 -6.243 -3.252 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.086 -4.620 -3.831 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.238 -5.127 -2.384 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.425 -1.684 -1.446 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.907 -2.294 -3.036 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.091 -2.858 -1.558 1.00 16.11 H new ATOM 20 N GLN A 2 9.853 -8.537 -2.061 1.00 9.27 N ATOM 21 CA GLN A 2 8.617 -8.951 -1.395 1.00 9.07 C ATOM 22 C GLN A 2 8.241 -7.968 -0.348 1.00 8.72 C ATOM 23 O GLN A 2 9.034 -7.631 0.557 1.00 8.22 O ATOM 24 CB GLN A 2 8.785 -10.359 -0.770 1.00 14.46 C ATOM 25 CG GLN A 2 8.901 -11.493 -1.783 1.00 17.01 C ATOM 26 CD GLN A 2 7.717 -12.053 -2.480 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.117 -13.040 -1.960 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.337 -11.535 -3.680 1.00 19.49 N ATOM 0 H GLN A 2 10.692 -8.859 -1.579 1.00 9.27 H new ATOM 0 HA GLN A 2 7.821 -8.992 -2.139 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.675 -10.359 -0.141 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.934 -10.557 -0.118 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.589 -11.153 -2.557 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.385 -12.324 -1.270 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.839 -10.740 -4.074 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.550 -11.942 -4.185 1.00 19.49 H new ATOM 37 N ILE A 3 6.992 -7.546 -0.382 1.00 5.87 N ATOM 38 CA ILE A 3 6.394 -6.807 0.735 1.00 5.07 C ATOM 39 C ILE A 3 4.988 -7.339 1.124 1.00 4.01 C ATOM 40 O ILE A 3 4.360 -7.987 0.287 1.00 4.61 O ATOM 41 CB ILE A 3 6.163 -5.367 0.503 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.168 -5.091 -0.691 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.559 -4.676 0.133 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.741 -3.631 -0.799 1.00 10.83 C ATOM 0 H ILE A 3 6.362 -7.698 -1.170 1.00 5.87 H new ATOM 0 HA ILE A 3 7.149 -6.956 1.507 1.00 5.07 H new ATOM 0 HB ILE A 3 5.726 -4.962 1.415 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.641 -5.394 -1.625 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.281 -5.713 -0.566 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.403 -3.611 -0.041 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.261 -4.810 0.956 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.965 -5.135 -0.768 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.058 -3.513 -1.640 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.240 -3.330 0.121 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.620 -3.005 -0.955 1.00 10.83 H new ATOM 56 N PHE A 4 4.544 -6.987 2.380 1.00 4.55 N ATOM 57 CA PHE A 4 3.433 -7.558 3.049 1.00 4.68 C ATOM 58 C PHE A 4 2.341 -6.502 3.280 1.00 5.30 C ATOM 59 O PHE A 4 2.681 -5.347 3.509 1.00 5.58 O ATOM 60 CB PHE A 4 3.918 -8.172 4.417 1.00 4.83 C ATOM 61 CG PHE A 4 5.169 -9.015 4.298 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.088 -10.199 3.485 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.298 -8.727 5.100 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.227 -11.026 3.440 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.374 -9.629 5.109 1.00 10.61 C ATOM 66 CZ PHE A 4 7.328 -10.793 4.290 1.00 8.90 C ATOM 0 H PHE A 4 5.004 -6.264 2.932 1.00 4.55 H new ATOM 0 HA PHE A 4 3.003 -8.348 2.433 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.102 -7.362 5.123 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.118 -8.783 4.835 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.192 -10.443 2.933 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.332 -7.827 5.696 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.258 -11.851 2.744 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.234 -9.441 5.735 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.142 -11.502 4.320 1.00 8.90 H new ATOM 76 N VAL A 5 1.078 -6.820 3.143 1.00 4.44 N ATOM 77 CA VAL A 5 -0.060 -5.915 3.358 1.00 3.87 C ATOM 78 C VAL A 5 -1.165 -6.581 4.112 1.00 4.93 C ATOM 79 O VAL A 5 -1.678 -7.615 3.726 1.00 6.84 O ATOM 80 CB VAL A 5 -0.574 -5.239 2.080 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.818 -4.353 2.377 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.557 -4.421 1.455 1.00 9.13 C ATOM 0 H VAL A 5 0.785 -7.757 2.866 1.00 4.44 H new ATOM 0 HA VAL A 5 0.331 -5.107 3.976 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.891 -6.004 1.371 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.161 -3.886 1.454 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.615 -4.972 2.789 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.550 -3.580 3.097 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.198 -3.938 0.546 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.890 -3.661 2.162 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.390 -5.080 1.211 1.00 9.13 H new ATOM 92 N LYS A 6 -1.621 -6.013 5.256 1.00 6.04 N ATOM 93 CA LYS A 6 -2.732 -6.449 6.059 1.00 6.12 C ATOM 94 C LYS A 6 -3.996 -5.601 5.665 1.00 6.57 C ATOM 95 O LYS A 6 -4.087 -4.327 5.728 1.00 5.76 O ATOM 96 CB LYS A 6 -2.350 -6.290 7.504 1.00 7.45 C ATOM 97 CG LYS A 6 -1.180 -7.216 7.925 1.00 11.12 C ATOM 98 CD LYS A 6 -0.663 -6.913 9.321 1.00 14.54 C ATOM 99 CE LYS A 6 0.437 -7.872 9.705 1.00 18.84 C ATOM 100 NZ LYS A 6 0.090 -9.338 9.596 1.00 20.55 N ATOM 0 H LYS A 6 -1.174 -5.183 5.647 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.978 -7.497 5.890 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.070 -5.253 7.688 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.217 -6.502 8.129 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.510 -8.254 7.882 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.364 -7.111 7.210 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.290 -5.890 9.361 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.480 -6.983 10.039 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.304 -7.674 9.075 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.735 -7.663 10.732 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.910 -9.911 9.881 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.715 -9.551 10.219 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.164 -9.562 8.613 1.00 20.55 H new ATOM 114 N THR A 7 -4.981 -6.375 5.138 1.00 7.41 N ATOM 115 CA THR A 7 -6.284 -6.017 4.636 1.00 7.48 C ATOM 116 C THR A 7 -7.276 -5.565 5.728 1.00 8.75 C ATOM 117 O THR A 7 -6.953 -5.632 6.918 1.00 8.58 O ATOM 118 CB THR A 7 -6.917 -6.950 3.625 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.392 -8.121 4.233 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.847 -7.428 2.573 1.00 9.17 C ATOM 0 H THR A 7 -4.837 -7.382 5.057 1.00 7.41 H new ATOM 0 HA THR A 7 -6.042 -5.138 4.039 1.00 7.48 H new ATOM 0 HB THR A 7 -7.729 -6.391 3.161 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.796 -8.701 3.554 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.318 -8.098 1.854 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.439 -6.563 2.050 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.042 -7.955 3.086 1.00 9.17 H new ATOM 128 N LEU A 8 -8.527 -5.210 5.275 1.00 9.84 N ATOM 129 CA LEU A 8 -9.639 -4.867 6.117 1.00 14.15 C ATOM 130 C LEU A 8 -9.968 -5.969 7.121 1.00 17.37 C ATOM 131 O LEU A 8 -10.298 -5.710 8.296 1.00 17.01 O ATOM 132 CB LEU A 8 -10.870 -4.472 5.300 1.00 16.63 C ATOM 133 CG LEU A 8 -11.874 -3.619 6.143 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.192 -2.304 6.676 1.00 19.31 C ATOM 135 CD2 LEU A 8 -13.150 -3.260 5.466 1.00 18.59 C ATOM 0 H LEU A 8 -8.754 -5.166 4.282 1.00 9.84 H new ATOM 0 HA LEU A 8 -9.333 -3.993 6.693 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.558 -3.905 4.423 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.370 -5.370 4.938 1.00 16.63 H new ATOM 0 HG LEU A 8 -12.147 -4.284 6.963 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.913 -1.731 7.259 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.342 -2.565 7.306 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.848 -1.705 5.833 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.768 -2.670 6.143 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.935 -2.678 4.570 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.683 -4.169 5.189 1.00 18.59 H new ATOM 147 N THR A 9 -9.918 -7.204 6.663 1.00 18.33 N ATOM 148 CA THR A 9 -10.356 -8.291 7.494 1.00 19.24 C ATOM 149 C THR A 9 -9.273 -9.153 7.898 1.00 19.48 C ATOM 150 O THR A 9 -9.540 -10.325 8.228 1.00 23.14 O ATOM 151 CB THR A 9 -11.495 -9.127 6.884 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.240 -9.519 5.518 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.759 -8.272 6.842 1.00 19.70 C ATOM 0 H THR A 9 -9.584 -7.470 5.737 1.00 18.33 H new ATOM 0 HA THR A 9 -10.759 -7.801 8.380 1.00 19.24 H new ATOM 0 HB THR A 9 -11.590 -10.019 7.503 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.994 -10.048 5.183 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.576 -8.851 6.412 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.025 -7.966 7.854 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.580 -7.388 6.230 1.00 19.70 H new ATOM 161 N GLY A 10 -8.017 -8.696 7.853 1.00 19.43 N ATOM 162 CA GLY A 10 -6.847 -9.274 8.580 1.00 18.74 C ATOM 163 C GLY A 10 -5.992 -10.193 7.830 1.00 17.62 C ATOM 164 O GLY A 10 -5.069 -10.830 8.308 1.00 19.74 O ATOM 0 H GLY A 10 -7.762 -7.883 7.292 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.229 -8.450 8.938 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.219 -9.798 9.460 1.00 18.74 H new ATOM 168 N LYS A 11 -6.276 -10.459 6.538 1.00 13.56 N ATOM 169 CA LYS A 11 -5.444 -11.287 5.672 1.00 11.91 C ATOM 170 C LYS A 11 -4.159 -10.579 5.305 1.00 10.18 C ATOM 171 O LYS A 11 -4.162 -9.388 5.001 1.00 9.10 O ATOM 172 CB LYS A 11 -6.316 -11.707 4.441 1.00 13.43 C ATOM 173 CG LYS A 11 -5.671 -12.493 3.298 1.00 16.69 C ATOM 174 CD LYS A 11 -6.687 -12.938 2.208 1.00 17.92 C ATOM 175 CE LYS A 11 -6.037 -13.694 1.037 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.114 -14.162 0.090 1.00 21.93 N ATOM 0 H LYS A 11 -7.105 -10.094 6.070 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.117 -12.192 6.185 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.149 -12.301 4.817 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.740 -10.798 4.015 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.898 -11.880 2.835 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.177 -13.375 3.706 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.444 -13.575 2.666 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.202 -12.058 1.821 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.334 -13.045 0.515 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.468 -14.546 1.409 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.680 -14.674 -0.704 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.768 -14.795 0.594 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.638 -13.340 -0.273 1.00 21.93 H new ATOM 190 N THR A 12 -2.989 -11.242 5.435 1.00 9.63 N ATOM 191 CA THR A 12 -1.716 -10.636 5.137 1.00 9.85 C ATOM 192 C THR A 12 -1.300 -11.050 3.741 1.00 11.66 C ATOM 193 O THR A 12 -0.880 -12.238 3.654 1.00 12.33 O ATOM 194 CB THR A 12 -0.611 -11.009 6.087 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.996 -10.681 7.431 1.00 10.91 O ATOM 196 CG2 THR A 12 0.642 -10.123 5.791 1.00 9.63 C ATOM 0 H THR A 12 -2.923 -12.210 5.750 1.00 9.63 H new ATOM 0 HA THR A 12 -1.860 -9.560 5.232 1.00 9.85 H new ATOM 0 HB THR A 12 -0.406 -12.073 5.970 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.568 -11.304 8.055 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.446 -10.389 6.477 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.971 -10.289 4.765 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.384 -9.072 5.924 1.00 9.63 H new ATOM 204 N ILE A 13 -1.364 -10.229 2.671 1.00 10.42 N ATOM 205 CA ILE A 13 -0.948 -10.596 1.296 1.00 11.84 C ATOM 206 C ILE A 13 0.491 -10.209 1.103 1.00 10.55 C ATOM 207 O ILE A 13 1.010 -9.310 1.725 1.00 11.92 O ATOM 208 CB ILE A 13 -1.805 -10.122 0.127 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.916 -8.565 0.098 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.243 -10.721 0.308 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.969 -7.983 -0.856 1.00 16.46 C ATOM 0 H ILE A 13 -1.713 -9.273 2.738 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.100 -11.674 1.253 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.345 -10.451 -0.805 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.137 -8.217 1.107 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.943 -8.156 -0.174 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.878 -10.397 -0.516 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.185 -11.809 0.316 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.666 -10.373 1.250 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.956 -6.895 -0.792 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.743 -8.289 -1.877 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.956 -8.351 -0.577 1.00 16.46 H new ATOM 223 N THR A 14 1.172 -10.956 0.196 1.00 9.39 N ATOM 224 CA THR A 14 2.562 -10.601 -0.131 1.00 9.63 C ATOM 225 C THR A 14 2.582 -10.152 -1.586 1.00 11.20 C ATOM 226 O THR A 14 2.070 -10.816 -2.526 1.00 11.63 O ATOM 227 CB THR A 14 3.556 -11.760 0.005 1.00 10.38 C ATOM 228 OG1 THR A 14 3.485 -12.464 1.223 1.00 16.30 O ATOM 229 CG2 THR A 14 5.025 -11.285 -0.029 1.00 11.66 C ATOM 0 H THR A 14 0.798 -11.767 -0.296 1.00 9.39 H new ATOM 0 HA THR A 14 2.872 -9.831 0.575 1.00 9.63 H new ATOM 0 HB THR A 14 3.274 -12.391 -0.838 1.00 10.38 H new ATOM 0 HG1 THR A 14 4.150 -13.184 1.224 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.688 -12.145 0.071 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.223 -10.782 -0.976 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.203 -10.592 0.794 1.00 11.66 H new ATOM 237 N LEU A 15 3.186 -8.994 -1.856 1.00 8.29 N ATOM 238 CA LEU A 15 3.219 -8.341 -3.138 1.00 9.03 C ATOM 239 C LEU A 15 4.598 -8.373 -3.750 1.00 8.59 C ATOM 240 O LEU A 15 5.588 -8.446 -3.017 1.00 7.79 O ATOM 241 CB LEU A 15 2.736 -6.838 -3.056 1.00 11.08 C ATOM 242 CG LEU A 15 1.278 -6.618 -2.584 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.061 -5.125 -2.122 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.271 -7.047 -3.695 1.00 15.27 C ATOM 0 H LEU A 15 3.688 -8.470 -1.139 1.00 8.29 H new ATOM 0 HA LEU A 15 2.530 -8.901 -3.770 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.401 -6.300 -2.380 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.850 -6.386 -4.041 1.00 11.08 H new ATOM 0 HG LEU A 15 1.088 -7.251 -1.717 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.030 -4.992 -1.794 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.736 -4.898 -1.297 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.267 -4.453 -2.955 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.748 -6.885 -3.344 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.445 -6.453 -4.593 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.412 -8.103 -3.926 1.00 15.27 H new ATOM 256 N GLU A 16 4.677 -8.238 -5.063 1.00 11.04 N ATOM 257 CA GLU A 16 5.940 -8.152 -5.746 1.00 11.50 C ATOM 258 C GLU A 16 6.047 -6.786 -6.374 1.00 10.13 C ATOM 259 O GLU A 16 5.393 -6.490 -7.378 1.00 9.83 O ATOM 260 CB GLU A 16 6.061 -9.242 -6.791 1.00 17.22 C ATOM 261 CG GLU A 16 7.453 -9.174 -7.513 1.00 23.33 C ATOM 262 CD GLU A 16 8.708 -9.485 -6.689 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.724 -10.480 -5.926 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.601 -8.639 -6.801 1.00 28.86 O ATOM 0 H GLU A 16 3.864 -8.186 -5.677 1.00 11.04 H new ATOM 0 HA GLU A 16 6.756 -8.294 -5.037 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.938 -10.218 -6.321 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.261 -9.139 -7.524 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.427 -9.866 -8.355 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.566 -8.172 -7.927 1.00 23.33 H new ATOM 271 N VAL A 17 7.031 -5.988 -5.869 1.00 8.99 N ATOM 272 CA VAL A 17 7.215 -4.611 -6.248 1.00 8.85 C ATOM 273 C VAL A 17 8.667 -4.338 -6.554 1.00 8.04 C ATOM 274 O VAL A 17 9.546 -5.185 -6.262 1.00 8.99 O ATOM 275 CB VAL A 17 6.668 -3.769 -5.138 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.179 -3.851 -5.019 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.394 -4.172 -3.806 1.00 10.54 C ATOM 0 H VAL A 17 7.711 -6.314 -5.182 1.00 8.99 H new ATOM 0 HA VAL A 17 6.679 -4.368 -7.165 1.00 8.85 H new ATOM 0 HB VAL A 17 6.869 -2.721 -5.362 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.844 -3.219 -4.197 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.721 -3.511 -5.948 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.886 -4.883 -4.826 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.008 -3.568 -2.984 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.213 -5.226 -3.598 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.466 -4.001 -3.910 1.00 10.54 H new ATOM 287 N GLU A 18 9.008 -3.182 -7.133 1.00 7.29 N ATOM 288 CA GLU A 18 10.397 -2.718 -7.122 1.00 7.08 C ATOM 289 C GLU A 18 10.527 -1.443 -6.346 1.00 6.45 C ATOM 290 O GLU A 18 9.488 -0.813 -6.151 1.00 5.28 O ATOM 291 CB GLU A 18 10.892 -2.433 -8.612 1.00 10.28 C ATOM 292 CG GLU A 18 11.321 -3.681 -9.494 1.00 12.65 C ATOM 293 CD GLU A 18 12.471 -4.394 -8.766 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.627 -3.890 -8.857 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.192 -5.473 -8.218 1.00 18.17 O ATOM 0 H GLU A 18 8.353 -2.560 -7.607 1.00 7.29 H new ATOM 0 HA GLU A 18 11.001 -3.498 -6.659 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.093 -1.909 -9.137 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.740 -1.751 -8.560 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.478 -4.358 -9.634 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.638 -3.358 -10.486 1.00 12.65 H new ATOM 302 N PRO A 19 11.611 -0.926 -5.800 1.00 7.24 N ATOM 303 CA PRO A 19 11.613 0.383 -5.077 1.00 7.07 C ATOM 304 C PRO A 19 11.035 1.549 -5.899 1.00 6.65 C ATOM 305 O PRO A 19 10.548 2.499 -5.300 1.00 6.37 O ATOM 306 CB PRO A 19 13.152 0.550 -4.943 1.00 7.61 C ATOM 307 CG PRO A 19 13.760 -0.787 -4.711 1.00 8.16 C ATOM 308 CD PRO A 19 12.825 -1.692 -5.594 1.00 7.49 C ATOM 0 HA PRO A 19 11.013 0.393 -4.167 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.563 1.000 -5.847 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.388 1.221 -4.117 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.800 -0.829 -5.033 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.740 -1.074 -3.660 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.300 -1.934 -6.545 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.611 -2.637 -5.095 1.00 7.49 H new ATOM 316 N SER A 20 11.171 1.481 -7.223 1.00 6.80 N ATOM 317 CA SER A 20 10.666 2.481 -8.210 1.00 6.28 C ATOM 318 C SER A 20 9.171 2.580 -8.274 1.00 8.45 C ATOM 319 O SER A 20 8.657 3.581 -8.713 1.00 7.26 O ATOM 320 CB SER A 20 11.166 2.261 -9.624 1.00 8.57 C ATOM 321 OG SER A 20 11.033 0.891 -10.017 1.00 11.13 O ATOM 0 H SER A 20 11.653 0.703 -7.673 1.00 6.80 H new ATOM 0 HA SER A 20 11.075 3.413 -7.819 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.607 2.895 -10.312 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.212 2.561 -9.693 1.00 8.57 H new ATOM 0 HG SER A 20 11.362 0.780 -10.934 1.00 11.13 H new ATOM 327 N ASP A 21 8.426 1.554 -7.820 1.00 7.50 N ATOM 328 CA ASP A 21 6.976 1.621 -7.608 1.00 7.70 C ATOM 329 C ASP A 21 6.434 2.681 -6.714 1.00 7.08 C ATOM 330 O ASP A 21 6.926 2.934 -5.648 1.00 8.11 O ATOM 331 CB ASP A 21 6.283 0.266 -7.356 1.00 11.00 C ATOM 332 CG ASP A 21 6.614 -0.656 -8.524 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.498 -0.218 -9.697 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.878 -1.882 -8.309 1.00 18.03 O ATOM 0 H ASP A 21 8.825 0.644 -7.588 1.00 7.50 H new ATOM 0 HA ASP A 21 6.694 1.962 -8.604 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.627 -0.169 -6.418 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.205 0.400 -7.269 1.00 11.00 H new ATOM 339 N THR A 22 5.364 3.377 -7.195 1.00 5.37 N ATOM 340 CA THR A 22 4.732 4.422 -6.349 1.00 6.01 C ATOM 341 C THR A 22 3.819 3.812 -5.322 1.00 8.01 C ATOM 342 O THR A 22 3.452 2.627 -5.450 1.00 8.11 O ATOM 343 CB THR A 22 3.933 5.544 -7.056 1.00 8.92 C ATOM 344 OG1 THR A 22 3.101 4.914 -8.093 1.00 10.22 O ATOM 345 CG2 THR A 22 4.949 6.446 -7.806 1.00 9.65 C ATOM 0 H THR A 22 4.942 3.242 -8.114 1.00 5.37 H new ATOM 0 HA THR A 22 5.609 4.905 -5.918 1.00 6.01 H new ATOM 0 HB THR A 22 3.338 6.106 -6.337 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.581 5.602 -8.558 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.416 7.248 -8.316 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.652 6.874 -7.092 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.494 5.850 -8.538 1.00 9.65 H new ATOM 353 N ILE A 23 3.314 4.579 -4.335 1.00 8.32 N ATOM 354 CA ILE A 23 2.265 4.082 -3.435 1.00 9.92 C ATOM 355 C ILE A 23 1.018 3.647 -4.318 1.00 10.01 C ATOM 356 O ILE A 23 0.481 2.508 -4.184 1.00 8.71 O ATOM 357 CB ILE A 23 1.888 5.194 -2.478 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.029 5.851 -1.693 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.784 4.841 -1.486 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.730 4.874 -0.782 1.00 12.30 C ATOM 0 H ILE A 23 3.615 5.535 -4.145 1.00 8.32 H new ATOM 0 HA ILE A 23 2.609 3.223 -2.858 1.00 9.92 H new ATOM 0 HB ILE A 23 1.521 5.924 -3.200 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.750 6.276 -2.391 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.633 6.677 -1.102 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.584 5.699 -0.844 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.123 4.576 -2.030 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.101 3.996 -0.875 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.530 5.385 -0.247 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.016 4.468 -0.065 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.151 4.062 -1.375 1.00 12.30 H new ATOM 372 N GLU A 24 0.778 4.453 -5.376 1.00 9.54 N ATOM 373 CA GLU A 24 -0.290 4.214 -6.243 1.00 11.81 C ATOM 374 C GLU A 24 -0.168 2.973 -7.125 1.00 11.14 C ATOM 375 O GLU A 24 -1.135 2.293 -7.385 1.00 10.62 O ATOM 376 CB GLU A 24 -0.473 5.407 -7.105 1.00 19.24 C ATOM 377 CG GLU A 24 -1.809 5.404 -7.958 1.00 27.76 C ATOM 378 CD GLU A 24 -2.263 6.702 -8.577 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.864 7.463 -7.795 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.011 7.037 -9.778 1.00 36.51 O ATOM 0 H GLU A 24 1.341 5.270 -5.612 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.150 4.020 -5.602 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.460 6.298 -6.478 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.376 5.482 -7.784 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.690 4.676 -8.761 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.613 5.042 -7.317 1.00 27.76 H new ATOM 387 N ASN A 25 1.034 2.667 -7.588 1.00 9.43 N ATOM 388 CA ASN A 25 1.466 1.438 -8.251 1.00 10.96 C ATOM 389 C ASN A 25 1.227 0.226 -7.395 1.00 9.68 C ATOM 390 O ASN A 25 0.608 -0.737 -7.828 1.00 9.33 O ATOM 391 CB ASN A 25 3.002 1.436 -8.699 1.00 16.78 C ATOM 392 CG ASN A 25 3.374 2.396 -9.877 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.426 3.016 -9.910 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.481 2.448 -10.872 1.00 24.70 N ATOM 0 H ASN A 25 1.804 3.330 -7.503 1.00 9.43 H new ATOM 0 HA ASN A 25 0.853 1.398 -9.152 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.612 1.700 -7.835 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.275 0.420 -8.984 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.668 3.020 -11.695 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.614 1.915 -10.807 1.00 24.70 H new ATOM 401 N VAL A 26 1.631 0.313 -6.126 1.00 6.52 N ATOM 402 CA VAL A 26 1.405 -0.656 -5.042 1.00 5.53 C ATOM 403 C VAL A 26 -0.033 -0.927 -4.749 1.00 4.42 C ATOM 404 O VAL A 26 -0.476 -2.071 -4.743 1.00 3.40 O ATOM 405 CB VAL A 26 2.155 -0.384 -3.762 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.892 -1.436 -2.634 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.662 -0.391 -4.069 1.00 8.12 C ATOM 0 H VAL A 26 2.164 1.120 -5.801 1.00 6.52 H new ATOM 0 HA VAL A 26 1.836 -1.562 -5.467 1.00 5.53 H new ATOM 0 HB VAL A 26 1.802 0.579 -3.394 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.467 -1.170 -1.747 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.830 -1.448 -2.388 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.195 -2.424 -2.980 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.221 -0.196 -3.154 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.948 -1.364 -4.468 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.887 0.382 -4.804 1.00 8.12 H new ATOM 417 N LYS A 27 -0.923 0.096 -4.748 1.00 2.64 N ATOM 418 CA LYS A 27 -2.365 0.017 -4.635 1.00 4.14 C ATOM 419 C LYS A 27 -3.036 -0.755 -5.815 1.00 5.58 C ATOM 420 O LYS A 27 -3.933 -1.560 -5.668 1.00 4.11 O ATOM 421 CB LYS A 27 -2.982 1.412 -4.663 1.00 3.97 C ATOM 422 CG LYS A 27 -2.840 2.184 -3.360 1.00 7.45 C ATOM 423 CD LYS A 27 -3.657 3.469 -3.532 1.00 9.02 C ATOM 424 CE LYS A 27 -3.335 4.507 -2.375 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.284 5.590 -2.365 1.00 15.47 N ATOM 0 H LYS A 27 -0.608 1.062 -4.834 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.543 -0.506 -3.696 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.518 1.986 -5.465 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.041 1.324 -4.906 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.209 1.598 -2.518 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.794 2.412 -3.155 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.436 3.918 -4.500 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.721 3.231 -3.527 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.351 3.998 -1.412 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.329 4.904 -2.509 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.009 6.286 -1.643 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.299 6.047 -3.299 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.231 5.220 -2.146 1.00 15.47 H new ATOM 439 N ALA A 28 -2.493 -0.616 -7.014 1.00 6.61 N ATOM 440 CA ALA A 28 -3.006 -1.242 -8.258 1.00 7.74 C ATOM 441 C ALA A 28 -2.666 -2.721 -8.303 1.00 9.17 C ATOM 442 O ALA A 28 -3.332 -3.612 -8.803 1.00 11.45 O ATOM 443 CB ALA A 28 -2.501 -0.607 -9.533 1.00 7.68 C ATOM 0 H ALA A 28 -1.658 -0.051 -7.171 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.084 -1.084 -8.216 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.926 -1.127 -10.392 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.798 0.441 -9.560 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.414 -0.677 -9.568 1.00 7.68 H new ATOM 449 N LYS A 29 -1.568 -3.014 -7.600 1.00 8.96 N ATOM 450 CA LYS A 29 -1.205 -4.401 -7.447 1.00 7.90 C ATOM 451 C LYS A 29 -2.027 -5.128 -6.376 1.00 6.92 C ATOM 452 O LYS A 29 -2.274 -6.303 -6.475 1.00 6.87 O ATOM 453 CB LYS A 29 0.274 -4.461 -7.090 1.00 10.28 C ATOM 454 CG LYS A 29 1.219 -3.964 -8.144 1.00 14.94 C ATOM 455 CD LYS A 29 2.688 -3.905 -7.671 1.00 19.69 C ATOM 456 CE LYS A 29 3.763 -3.330 -8.679 1.00 22.63 C ATOM 457 NZ LYS A 29 3.892 -4.153 -9.878 1.00 24.98 N ATOM 0 H LYS A 29 -0.950 -2.337 -7.152 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.414 -4.911 -8.387 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.433 -3.880 -6.182 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.531 -5.494 -6.856 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.152 -4.613 -9.017 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.907 -2.969 -8.462 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.724 -3.303 -6.763 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.993 -4.915 -7.396 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.484 -2.316 -8.965 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.729 -3.266 -8.179 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.607 -3.738 -10.509 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.184 -5.114 -9.609 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.977 -4.194 -10.371 1.00 24.98 H new ATOM 471 N ILE A 30 -2.420 -4.396 -5.253 1.00 4.57 N ATOM 472 CA ILE A 30 -3.434 -4.826 -4.334 1.00 5.58 C ATOM 473 C ILE A 30 -4.809 -4.958 -4.964 1.00 7.26 C ATOM 474 O ILE A 30 -5.585 -5.920 -4.712 1.00 9.46 O ATOM 475 CB ILE A 30 -3.482 -3.837 -3.180 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.088 -3.882 -2.446 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.782 -4.046 -2.339 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.874 -2.818 -1.407 1.00 2.00 C ATOM 0 H ILE A 30 -2.008 -3.496 -5.008 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.167 -5.825 -3.990 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.589 -2.798 -3.493 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.977 -4.857 -1.972 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.299 -3.800 -3.194 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.802 -3.331 -1.517 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.655 -3.893 -2.974 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.797 -5.060 -1.939 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.886 -2.937 -0.962 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.946 -1.835 -1.873 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.634 -2.909 -0.631 1.00 2.00 H new ATOM 490 N GLN A 31 -5.121 -3.958 -5.886 1.00 7.06 N ATOM 491 CA GLN A 31 -6.390 -3.992 -6.711 1.00 8.67 C ATOM 492 C GLN A 31 -6.460 -5.204 -7.635 1.00 10.90 C ATOM 493 O GLN A 31 -7.507 -5.831 -7.785 1.00 9.63 O ATOM 494 CB GLN A 31 -6.605 -2.650 -7.576 1.00 9.12 C ATOM 495 CG GLN A 31 -7.918 -2.739 -8.392 1.00 10.76 C ATOM 496 CD GLN A 31 -8.122 -1.407 -9.245 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.139 -0.729 -9.289 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.049 -1.120 -10.062 1.00 14.76 N ATOM 0 H GLN A 31 -4.527 -3.148 -6.066 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.195 -4.067 -5.980 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.638 -1.785 -6.914 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.760 -2.504 -8.249 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.886 -3.604 -9.055 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.764 -2.884 -7.720 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.206 -1.692 -10.017 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.098 -0.335 -10.712 1.00 14.76 H new ATOM 507 N ASP A 32 -5.264 -5.630 -8.151 1.00 10.93 N ATOM 508 CA ASP A 32 -5.085 -6.881 -8.847 1.00 14.01 C ATOM 509 C ASP A 32 -5.473 -8.178 -8.143 1.00 14.04 C ATOM 510 O ASP A 32 -6.254 -9.015 -8.585 1.00 13.39 O ATOM 511 CB ASP A 32 -3.599 -6.963 -9.346 1.00 18.01 C ATOM 512 CG ASP A 32 -3.356 -7.867 -10.476 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.596 -9.117 -10.404 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.836 -7.349 -11.504 1.00 26.29 O ATOM 0 H ASP A 32 -4.406 -5.084 -8.077 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.817 -6.836 -9.653 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.274 -5.962 -9.629 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.972 -7.277 -8.512 1.00 18.01 H new ATOM 519 N LYS A 33 -5.048 -8.289 -6.870 1.00 14.22 N ATOM 520 CA LYS A 33 -5.389 -9.446 -6.042 1.00 14.00 C ATOM 521 C LYS A 33 -6.857 -9.305 -5.521 1.00 12.37 C ATOM 522 O LYS A 33 -7.613 -10.283 -5.511 1.00 12.17 O ATOM 523 CB LYS A 33 -4.482 -9.452 -4.790 1.00 18.62 C ATOM 524 CG LYS A 33 -3.045 -9.986 -5.140 1.00 24.00 C ATOM 525 CD LYS A 33 -2.113 -10.150 -3.966 1.00 27.61 C ATOM 526 CE LYS A 33 -0.790 -10.960 -4.316 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.045 -12.390 -4.622 1.00 30.06 N ATOM 0 H LYS A 33 -4.471 -7.591 -6.400 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.266 -10.351 -6.637 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.410 -8.443 -4.383 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.928 -10.077 -4.016 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.146 -10.949 -5.640 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.586 -9.303 -5.854 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.838 -9.165 -3.590 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.641 -10.662 -3.162 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.301 -10.493 -5.171 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.097 -10.892 -3.477 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.139 -12.883 -4.759 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.561 -12.827 -3.832 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.613 -12.463 -5.490 1.00 30.06 H new ATOM 541 N GLU A 34 -7.251 -8.098 -5.062 1.00 10.11 N ATOM 542 CA GLU A 34 -8.474 -7.989 -4.229 1.00 10.07 C ATOM 543 C GLU A 34 -9.571 -7.148 -4.789 1.00 9.32 C ATOM 544 O GLU A 34 -10.672 -7.126 -4.235 1.00 11.61 O ATOM 545 CB GLU A 34 -8.064 -7.348 -2.824 1.00 14.77 C ATOM 546 CG GLU A 34 -7.224 -8.309 -1.949 1.00 18.75 C ATOM 547 CD GLU A 34 -8.003 -9.407 -1.294 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.811 -9.218 -0.310 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.887 -10.586 -1.794 1.00 25.19 O ATOM 0 H GLU A 34 -6.767 -7.219 -5.242 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.867 -9.004 -4.163 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.497 -6.434 -2.999 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.966 -7.065 -2.282 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.446 -8.755 -2.568 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.722 -7.728 -1.175 1.00 18.75 H new ATOM 556 N GLY A 35 -9.319 -6.408 -5.864 1.00 7.22 N ATOM 557 CA GLY A 35 -10.405 -5.742 -6.584 1.00 6.29 C ATOM 558 C GLY A 35 -10.819 -4.366 -6.037 1.00 6.93 C ATOM 559 O GLY A 35 -11.857 -3.843 -6.404 1.00 7.41 O ATOM 0 H GLY A 35 -8.389 -6.254 -6.253 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.107 -5.624 -7.626 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.278 -6.395 -6.574 1.00 6.29 H new ATOM 563 N ILE A 36 -9.975 -3.824 -5.186 1.00 5.86 N ATOM 564 CA ILE A 36 -10.271 -2.621 -4.469 1.00 6.07 C ATOM 565 C ILE A 36 -9.865 -1.423 -5.250 1.00 6.36 C ATOM 566 O ILE A 36 -8.645 -1.273 -5.474 1.00 6.18 O ATOM 567 CB ILE A 36 -9.576 -2.534 -3.135 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.692 -3.877 -2.350 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.252 -1.302 -2.373 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.829 -3.840 -1.119 1.00 9.49 C ATOM 0 H ILE A 36 -9.057 -4.217 -4.976 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.349 -2.648 -4.308 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.504 -2.368 -3.241 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.730 -4.053 -2.069 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.390 -4.707 -2.989 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.791 -1.183 -1.392 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.108 -0.391 -2.954 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.319 -1.490 -2.252 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.921 -4.784 -0.582 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.789 -3.686 -1.408 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.151 -3.023 -0.474 1.00 9.49 H new ATOM 582 N PRO A 37 -10.668 -0.387 -5.587 1.00 8.65 N ATOM 583 CA PRO A 37 -10.218 0.902 -6.142 1.00 9.18 C ATOM 584 C PRO A 37 -9.051 1.565 -5.428 1.00 9.85 C ATOM 585 O PRO A 37 -9.129 1.776 -4.194 1.00 8.51 O ATOM 586 CB PRO A 37 -11.412 1.800 -6.159 1.00 11.42 C ATOM 587 CG PRO A 37 -12.625 0.838 -6.259 1.00 9.27 C ATOM 588 CD PRO A 37 -12.156 -0.415 -5.491 1.00 8.33 C ATOM 0 HA PRO A 37 -9.817 0.708 -7.137 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.463 2.409 -5.256 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.380 2.486 -7.005 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.519 1.272 -5.811 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.868 0.606 -7.296 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.486 -0.389 -4.452 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.564 -1.325 -5.932 1.00 8.33 H new ATOM 596 N PRO A 38 -8.020 1.981 -6.106 1.00 8.71 N ATOM 597 CA PRO A 38 -6.949 2.726 -5.485 1.00 9.08 C ATOM 598 C PRO A 38 -7.348 3.993 -4.773 1.00 9.28 C ATOM 599 O PRO A 38 -6.651 4.405 -3.891 1.00 6.50 O ATOM 600 CB PRO A 38 -6.012 3.000 -6.689 1.00 10.31 C ATOM 601 CG PRO A 38 -6.192 1.784 -7.546 1.00 10.81 C ATOM 602 CD PRO A 38 -7.618 1.328 -7.341 1.00 12.00 C ATOM 0 HA PRO A 38 -6.500 2.165 -4.665 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.292 3.911 -7.218 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.976 3.121 -6.374 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.005 2.016 -8.594 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.489 1.001 -7.262 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.255 1.623 -8.175 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.683 0.243 -7.259 1.00 12.00 H new ATOM 610 N ASP A 39 -8.429 4.665 -5.215 1.00 11.20 N ATOM 611 CA ASP A 39 -8.946 5.838 -4.598 1.00 14.96 C ATOM 612 C ASP A 39 -9.518 5.485 -3.227 1.00 13.99 C ATOM 613 O ASP A 39 -9.370 6.242 -2.297 1.00 13.75 O ATOM 614 CB ASP A 39 -9.913 6.464 -5.602 1.00 24.16 C ATOM 615 CG ASP A 39 -10.482 7.771 -5.216 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.723 8.755 -5.161 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.718 7.879 -5.013 1.00 35.55 O ATOM 0 H ASP A 39 -8.960 4.375 -6.036 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.193 6.593 -4.373 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.394 6.581 -6.553 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.734 5.767 -5.771 1.00 24.16 H new ATOM 622 N GLN A 40 -10.169 4.304 -3.095 1.00 11.60 N ATOM 623 CA GLN A 40 -10.743 3.827 -1.885 1.00 10.76 C ATOM 624 C GLN A 40 -9.668 3.467 -0.798 1.00 8.01 C ATOM 625 O GLN A 40 -9.736 3.814 0.366 1.00 8.96 O ATOM 626 CB GLN A 40 -11.584 2.567 -2.204 1.00 11.14 C ATOM 627 CG GLN A 40 -12.622 2.281 -1.070 1.00 14.85 C ATOM 628 CD GLN A 40 -13.463 1.029 -1.346 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.244 0.010 -0.710 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.423 1.112 -2.300 1.00 18.16 N ATOM 0 H GLN A 40 -10.295 3.660 -3.876 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.359 4.626 -1.473 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.105 2.704 -3.152 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.925 1.707 -2.324 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.096 2.160 -0.123 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.282 3.141 -0.961 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.567 1.987 -2.804 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.001 0.299 -2.514 1.00 18.16 H new ATOM 639 N GLN A 41 -8.669 2.660 -1.192 1.00 6.52 N ATOM 640 CA GLN A 41 -7.402 2.468 -0.490 1.00 3.87 C ATOM 641 C GLN A 41 -6.608 3.701 -0.059 1.00 4.79 C ATOM 642 O GLN A 41 -6.325 4.643 -0.818 1.00 6.34 O ATOM 643 CB GLN A 41 -6.485 1.573 -1.402 1.00 4.20 C ATOM 644 CG GLN A 41 -7.152 0.270 -1.911 1.00 3.20 C ATOM 645 CD GLN A 41 -6.094 -0.439 -2.799 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.048 -0.735 -2.258 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.302 -0.755 -4.081 1.00 7.13 N ATOM 0 H GLN A 41 -8.731 2.103 -2.044 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.689 2.018 0.460 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.166 2.162 -2.262 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.586 1.311 -0.844 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.450 -0.366 -1.078 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.054 0.491 -2.482 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.182 -0.505 -4.532 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.581 -1.247 -4.609 1.00 7.13 H new ATOM 656 N ARG A 42 -6.103 3.528 1.191 1.00 5.73 N ATOM 657 CA ARG A 42 -4.965 4.389 1.715 1.00 6.97 C ATOM 658 C ARG A 42 -4.071 3.519 2.537 1.00 7.15 C ATOM 659 O ARG A 42 -4.481 2.470 3.041 1.00 7.33 O ATOM 660 CB ARG A 42 -5.443 5.623 2.436 1.00 13.23 C ATOM 661 CG ARG A 42 -4.363 6.575 2.974 1.00 21.27 C ATOM 662 CD ARG A 42 -4.870 7.842 3.665 1.00 26.14 C ATOM 663 NE ARG A 42 -5.494 8.727 2.667 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.840 9.982 2.976 1.00 34.32 C ATOM 665 NH1 ARG A 42 -5.532 10.563 4.126 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.459 10.678 2.049 1.00 36.39 N ATOM 0 H ARG A 42 -6.441 2.827 1.851 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.394 4.792 0.879 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.084 6.186 1.757 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.065 5.307 3.274 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -3.740 6.025 3.679 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -3.721 6.870 2.144 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.592 7.583 4.440 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.045 8.356 4.158 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.665 8.377 1.724 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.004 10.050 4.831 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -5.823 11.524 4.306 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.656 10.257 1.141 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.743 11.639 2.237 1.00 36.39 H new ATOM 680 N LEU A 43 -2.706 3.774 2.430 1.00 4.65 N ATOM 681 CA LEU A 43 -1.718 2.779 2.992 1.00 3.51 C ATOM 682 C LEU A 43 -0.938 3.359 4.060 1.00 5.56 C ATOM 683 O LEU A 43 -0.607 4.545 4.055 1.00 4.19 O ATOM 684 CB LEU A 43 -0.756 2.252 1.887 1.00 3.74 C ATOM 685 CG LEU A 43 -1.386 1.466 0.732 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.437 1.256 -0.450 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.793 0.048 1.261 1.00 6.41 C ATOM 0 H LEU A 43 -2.296 4.599 1.992 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.300 1.946 3.387 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.225 3.105 1.466 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.010 1.615 2.363 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.237 2.050 0.380 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.948 0.693 -1.231 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.127 2.224 -0.844 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.441 0.702 -0.118 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.244 -0.527 0.452 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.907 -0.472 1.626 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.511 0.155 2.074 1.00 6.41 H new ATOM 699 N ILE A 44 -0.569 2.516 5.056 1.00 4.58 N ATOM 700 CA ILE A 44 0.032 2.957 6.312 1.00 5.55 C ATOM 701 C ILE A 44 1.272 2.103 6.548 1.00 5.46 C ATOM 702 O ILE A 44 1.341 0.848 6.461 1.00 6.04 O ATOM 703 CB ILE A 44 -1.045 2.882 7.448 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.353 3.659 7.115 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.434 3.430 8.770 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.278 3.999 8.335 1.00 13.90 C ATOM 0 H ILE A 44 -0.687 1.505 4.997 1.00 4.58 H new ATOM 0 HA ILE A 44 0.358 3.997 6.289 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.325 1.834 7.552 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.083 4.591 6.618 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.929 3.072 6.400 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.180 3.380 9.564 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.432 2.829 9.047 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.126 4.466 8.627 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.157 4.540 7.985 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.590 3.076 8.823 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.730 4.618 9.045 1.00 13.90 H new ATOM 718 N PHE A 45 2.363 2.824 6.894 1.00 6.75 N ATOM 719 CA PHE A 45 3.610 2.213 7.244 1.00 4.70 C ATOM 720 C PHE A 45 4.323 3.108 8.321 1.00 6.34 C ATOM 721 O PHE A 45 4.210 4.325 8.310 1.00 5.45 O ATOM 722 CB PHE A 45 4.564 2.227 6.010 1.00 5.51 C ATOM 723 CG PHE A 45 5.961 1.757 6.193 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.088 0.503 6.757 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.054 2.545 5.830 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.392 -0.029 6.960 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.352 1.994 6.087 1.00 6.64 C ATOM 728 CZ PHE A 45 8.483 0.747 6.662 1.00 6.84 C ATOM 0 H PHE A 45 2.376 3.843 6.930 1.00 6.75 H new ATOM 0 HA PHE A 45 3.414 1.200 7.597 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.108 1.617 5.230 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.604 3.249 5.633 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.213 -0.064 7.039 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.929 3.518 5.379 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.521 -1.030 7.344 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.235 2.560 5.828 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.471 0.372 6.883 1.00 6.84 H new ATOM 738 N ALA A 46 5.099 2.408 9.213 1.00 6.53 N ATOM 739 CA ALA A 46 5.920 2.990 10.312 1.00 7.15 C ATOM 740 C ALA A 46 5.240 4.151 11.088 1.00 9.00 C ATOM 741 O ALA A 46 5.811 5.167 11.465 1.00 11.15 O ATOM 742 CB ALA A 46 7.357 3.315 9.808 1.00 8.99 C ATOM 0 H ALA A 46 5.167 1.391 9.178 1.00 6.53 H new ATOM 0 HA ALA A 46 6.010 2.219 11.077 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.942 3.739 10.624 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.835 2.401 9.456 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.302 4.033 8.990 1.00 8.99 H new ATOM 748 N GLY A 47 3.953 3.990 11.310 1.00 9.35 N ATOM 749 CA GLY A 47 3.016 4.861 11.983 1.00 11.68 C ATOM 750 C GLY A 47 2.458 6.032 11.148 1.00 11.14 C ATOM 751 O GLY A 47 1.783 6.844 11.684 1.00 13.93 O ATOM 0 H GLY A 47 3.485 3.145 10.984 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.177 4.258 12.332 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.504 5.272 12.867 1.00 11.68 H new ATOM 755 N LYS A 48 2.694 6.135 9.830 1.00 10.47 N ATOM 756 CA LYS A 48 2.385 7.272 9.047 1.00 8.82 C ATOM 757 C LYS A 48 1.554 6.883 7.881 1.00 7.68 C ATOM 758 O LYS A 48 1.767 5.829 7.188 1.00 6.47 O ATOM 759 CB LYS A 48 3.733 7.823 8.518 1.00 9.74 C ATOM 760 CG LYS A 48 4.748 8.029 9.569 1.00 14.14 C ATOM 761 CD LYS A 48 6.149 8.406 9.010 1.00 16.32 C ATOM 762 CE LYS A 48 7.020 7.201 8.547 1.00 20.04 C ATOM 763 NZ LYS A 48 8.313 7.707 8.137 1.00 23.92 N ATOM 0 H LYS A 48 3.122 5.383 9.290 1.00 10.47 H new ATOM 0 HA LYS A 48 1.839 8.006 9.640 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.130 7.132 7.774 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.553 8.770 8.010 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.409 8.817 10.241 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.835 7.119 10.163 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.017 9.084 8.167 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.694 8.955 9.778 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.133 6.481 9.357 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.537 6.678 7.721 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.912 6.916 7.823 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.190 8.380 7.354 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.768 8.188 8.939 1.00 23.92 H new ATOM 777 N GLN A 49 0.509 7.749 7.561 1.00 8.89 N ATOM 778 CA GLN A 49 -0.249 7.689 6.250 1.00 7.18 C ATOM 779 C GLN A 49 0.647 8.073 5.084 1.00 8.23 C ATOM 780 O GLN A 49 1.316 9.069 5.155 1.00 9.70 O ATOM 781 CB GLN A 49 -1.561 8.520 6.285 1.00 11.67 C ATOM 782 CG GLN A 49 -2.651 8.083 7.311 1.00 15.82 C ATOM 783 CD GLN A 49 -3.749 9.179 7.338 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.674 9.326 6.544 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.580 10.078 8.315 1.00 20.67 N ATOM 0 H GLN A 49 0.182 8.484 8.189 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.556 6.654 6.099 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.299 9.558 6.491 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.004 8.495 5.289 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.079 7.122 7.027 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.214 7.957 8.301 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.816 9.969 8.982 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.215 10.872 8.393 1.00 20.67 H new ATOM 794 N LEU A 50 0.674 7.394 3.934 1.00 6.51 N ATOM 795 CA LEU A 50 1.519 7.627 2.740 1.00 7.41 C ATOM 796 C LEU A 50 0.670 8.297 1.675 1.00 8.27 C ATOM 797 O LEU A 50 -0.543 8.086 1.447 1.00 8.34 O ATOM 798 CB LEU A 50 2.124 6.298 2.200 1.00 7.13 C ATOM 799 CG LEU A 50 2.729 5.353 3.328 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.261 4.048 2.634 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.853 5.998 4.121 1.00 9.11 C ATOM 0 H LEU A 50 0.054 6.596 3.794 1.00 6.51 H new ATOM 0 HA LEU A 50 2.356 8.270 3.014 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.350 5.752 1.661 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.908 6.534 1.480 1.00 7.13 H new ATOM 0 HG LEU A 50 1.935 5.139 4.043 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.682 3.381 3.387 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.439 3.546 2.124 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.032 4.310 1.909 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.217 5.297 4.872 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.668 6.264 3.447 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.482 6.897 4.614 1.00 9.11 H new ATOM 813 N GLU A 51 1.276 9.236 0.954 1.00 9.43 N ATOM 814 CA GLU A 51 0.660 9.960 -0.183 1.00 11.90 C ATOM 815 C GLU A 51 0.996 9.256 -1.493 1.00 11.49 C ATOM 816 O GLU A 51 2.112 8.956 -1.796 1.00 9.88 O ATOM 817 CB GLU A 51 1.119 11.404 -0.255 1.00 16.56 C ATOM 818 CG GLU A 51 0.777 12.345 0.959 1.00 26.06 C ATOM 819 CD GLU A 51 1.365 13.676 0.707 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.558 13.864 1.065 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.662 14.574 0.160 1.00 33.44 O ATOM 0 H GLU A 51 2.235 9.531 1.139 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.418 9.958 -0.023 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.201 11.405 -0.385 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.690 11.847 -1.153 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.303 12.426 1.082 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.172 11.926 1.885 1.00 26.06 H new ATOM 828 N ASP A 52 -0.015 8.943 -2.298 1.00 12.71 N ATOM 829 CA ASP A 52 -0.128 8.311 -3.640 1.00 16.56 C ATOM 830 C ASP A 52 0.962 8.604 -4.625 1.00 15.83 C ATOM 831 O ASP A 52 1.606 7.674 -5.189 1.00 17.21 O ATOM 832 CB ASP A 52 -1.448 8.734 -4.379 1.00 21.05 C ATOM 833 CG ASP A 52 -2.641 8.360 -3.475 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.895 8.965 -2.443 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.391 7.451 -3.922 1.00 28.37 O ATOM 0 H ASP A 52 -0.956 9.165 -1.971 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.084 7.255 -3.372 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.445 9.805 -4.582 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.525 8.227 -5.341 1.00 21.05 H new ATOM 840 N GLY A 53 1.355 9.886 -4.743 1.00 15.00 N ATOM 841 CA GLY A 53 2.259 10.298 -5.803 1.00 11.77 C ATOM 842 C GLY A 53 3.696 10.290 -5.409 1.00 11.10 C ATOM 843 O GLY A 53 4.438 11.186 -5.810 1.00 11.25 O ATOM 0 H GLY A 53 1.058 10.637 -4.120 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.124 9.638 -6.659 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.987 11.302 -6.129 1.00 11.77 H new ATOM 847 N ARG A 54 4.171 9.270 -4.594 1.00 8.53 N ATOM 848 CA ARG A 54 5.466 9.194 -4.002 1.00 9.05 C ATOM 849 C ARG A 54 5.835 7.663 -4.131 1.00 8.96 C ATOM 850 O ARG A 54 4.945 6.774 -4.344 1.00 11.60 O ATOM 851 CB ARG A 54 5.433 9.521 -2.510 1.00 7.97 C ATOM 852 CG ARG A 54 4.855 10.884 -2.249 1.00 9.62 C ATOM 853 CD ARG A 54 5.292 11.451 -0.851 1.00 12.20 C ATOM 854 NE ARG A 54 4.657 12.735 -0.539 1.00 18.23 N ATOM 855 CZ ARG A 54 4.988 13.889 -1.142 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.942 13.918 -2.043 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.330 14.990 -0.847 1.00 23.38 N ATOM 0 H ARG A 54 3.591 8.466 -4.354 1.00 8.53 H new ATOM 0 HA ARG A 54 6.157 9.890 -4.478 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.842 8.769 -1.986 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.444 9.471 -2.105 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.174 11.569 -3.034 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.767 10.831 -2.295 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.041 10.728 -0.075 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.375 11.572 -0.835 1.00 12.20 H new ATOM 0 HE ARG A 54 3.926 12.753 0.172 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.437 13.061 -2.289 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.188 14.798 -2.497 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.573 14.964 -0.164 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.577 15.869 -1.302 1.00 23.38 H new ATOM 871 N THR A 55 7.138 7.358 -3.972 1.00 9.05 N ATOM 872 CA THR A 55 7.731 6.025 -4.159 1.00 9.03 C ATOM 873 C THR A 55 8.021 5.200 -2.950 1.00 8.15 C ATOM 874 O THR A 55 8.185 5.777 -1.854 1.00 5.91 O ATOM 875 CB THR A 55 8.914 5.994 -5.173 1.00 11.15 C ATOM 876 OG1 THR A 55 9.982 6.707 -4.651 1.00 11.95 O ATOM 877 CG2 THR A 55 8.484 6.620 -6.464 1.00 11.71 C ATOM 0 H THR A 55 7.828 8.059 -3.701 1.00 9.05 H new ATOM 0 HA THR A 55 6.880 5.509 -4.603 1.00 9.03 H new ATOM 0 HB THR A 55 9.213 4.961 -5.352 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.809 6.197 -4.779 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.312 6.598 -7.173 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.640 6.065 -6.874 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.186 7.653 -6.286 1.00 11.71 H new ATOM 885 N LEU A 56 8.219 3.874 -3.109 1.00 6.91 N ATOM 886 CA LEU A 56 8.824 3.047 -2.068 1.00 8.29 C ATOM 887 C LEU A 56 10.187 3.579 -1.665 1.00 8.05 C ATOM 888 O LEU A 56 10.523 3.623 -0.465 1.00 10.17 O ATOM 889 CB LEU A 56 8.872 1.596 -2.590 1.00 6.60 C ATOM 890 CG LEU A 56 7.536 0.857 -2.787 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.902 -0.565 -3.045 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.598 1.082 -1.621 1.00 8.64 C ATOM 0 H LEU A 56 7.965 3.362 -3.954 1.00 6.91 H new ATOM 0 HA LEU A 56 8.227 3.075 -1.157 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.395 1.602 -3.546 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.479 1.012 -1.898 1.00 6.60 H new ATOM 0 HG LEU A 56 6.961 1.236 -3.632 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.996 -1.152 -3.195 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.525 -0.624 -3.937 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.453 -0.960 -2.191 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.666 0.545 -1.795 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.062 0.716 -0.705 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.390 2.147 -1.522 1.00 8.64 H new ATOM 904 N SER A 57 11.049 3.959 -2.635 1.00 8.92 N ATOM 905 CA SER A 57 12.361 4.479 -2.350 1.00 9.00 C ATOM 906 C SER A 57 12.392 5.805 -1.638 1.00 9.44 C ATOM 907 O SER A 57 13.226 6.041 -0.789 1.00 10.91 O ATOM 908 CB SER A 57 13.150 4.685 -3.643 1.00 10.32 C ATOM 909 OG SER A 57 12.383 5.359 -4.619 1.00 13.59 O ATOM 0 H SER A 57 10.833 3.905 -3.630 1.00 8.92 H new ATOM 0 HA SER A 57 12.793 3.725 -1.692 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.054 5.257 -3.431 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.468 3.718 -4.033 1.00 10.32 H new ATOM 0 HG SER A 57 12.918 5.476 -5.432 1.00 13.59 H new ATOM 915 N ASP A 58 11.440 6.717 -1.948 1.00 9.11 N ATOM 916 CA ASP A 58 11.265 8.003 -1.318 1.00 7.91 C ATOM 917 C ASP A 58 10.893 7.847 0.195 1.00 9.12 C ATOM 918 O ASP A 58 11.487 8.546 1.020 1.00 8.61 O ATOM 919 CB ASP A 58 10.163 8.852 -2.080 1.00 8.41 C ATOM 920 CG ASP A 58 10.094 10.294 -1.659 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.187 10.934 -1.702 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.081 10.869 -1.264 1.00 11.70 O ATOM 0 H ASP A 58 10.752 6.547 -2.682 1.00 9.11 H new ATOM 0 HA ASP A 58 12.214 8.536 -1.376 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.362 8.807 -3.151 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.189 8.391 -1.917 1.00 8.41 H new ATOM 927 N TYR A 59 9.957 6.913 0.533 1.00 7.97 N ATOM 928 CA TYR A 59 9.495 6.623 1.943 1.00 8.45 C ATOM 929 C TYR A 59 10.350 5.631 2.573 1.00 10.98 C ATOM 930 O TYR A 59 10.037 5.283 3.732 1.00 12.95 O ATOM 931 CB TYR A 59 8.024 6.013 1.995 1.00 7.94 C ATOM 932 CG TYR A 59 6.998 7.084 1.974 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.843 7.872 3.085 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.220 7.208 0.849 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.823 8.856 3.093 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.089 8.031 0.904 1.00 6.52 C ATOM 937 CZ TYR A 59 4.936 8.892 2.005 1.00 6.76 C ATOM 938 OH TYR A 59 3.960 9.899 1.998 1.00 7.63 O ATOM 0 H TYR A 59 9.493 6.331 -0.164 1.00 7.97 H new ATOM 0 HA TYR A 59 9.527 7.584 2.456 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.874 5.346 1.146 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.908 5.412 2.897 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.489 7.745 3.941 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.475 6.682 -0.059 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.731 9.556 3.910 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.350 8.005 0.117 1.00 6.52 H new ATOM 0 HH TYR A 59 4.396 10.777 2.007 1.00 7.63 H new ATOM 948 N ASN A 60 11.393 5.104 1.885 1.00 12.38 N ATOM 949 CA ASN A 60 12.415 4.180 2.444 1.00 13.94 C ATOM 950 C ASN A 60 11.808 2.919 2.910 1.00 14.16 C ATOM 951 O ASN A 60 12.095 2.362 3.942 1.00 14.26 O ATOM 952 CB ASN A 60 13.333 4.834 3.498 1.00 19.23 C ATOM 953 CG ASN A 60 14.128 5.951 2.783 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.804 7.093 2.838 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.173 5.479 2.064 1.00 24.09 N ATOM 0 H ASN A 60 11.552 5.315 0.900 1.00 12.38 H new ATOM 0 HA ASN A 60 13.082 3.928 1.620 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.745 5.245 4.318 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.010 4.096 3.930 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.747 6.121 1.517 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.387 4.482 2.069 1.00 24.09 H new ATOM 962 N ILE A 61 10.874 2.365 2.074 1.00 11.08 N ATOM 963 CA ILE A 61 10.261 1.045 2.342 1.00 11.78 C ATOM 964 C ILE A 61 11.126 -0.077 1.637 1.00 13.74 C ATOM 965 O ILE A 61 11.614 0.101 0.507 1.00 14.60 O ATOM 966 CB ILE A 61 8.839 0.976 1.815 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.064 2.268 2.248 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.119 -0.268 2.328 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.600 2.316 1.829 1.00 11.42 C ATOM 0 H ILE A 61 10.540 2.815 1.222 1.00 11.08 H new ATOM 0 HA ILE A 61 10.234 0.893 3.421 1.00 11.78 H new ATOM 0 HB ILE A 61 8.872 0.914 0.727 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.118 2.359 3.333 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.574 3.136 1.830 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.103 -0.289 1.933 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.654 -1.159 2.000 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.085 -0.245 3.417 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.153 3.248 2.175 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.531 2.262 0.743 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.068 1.473 2.269 1.00 11.42 H new ATOM 981 N GLN A 62 11.442 -1.238 2.309 1.00 13.97 N ATOM 982 CA GLN A 62 12.440 -2.172 1.999 1.00 15.52 C ATOM 983 C GLN A 62 11.835 -3.516 1.757 1.00 13.94 C ATOM 984 O GLN A 62 10.664 -3.753 1.912 1.00 12.15 O ATOM 985 CB GLN A 62 13.529 -2.313 3.129 1.00 19.53 C ATOM 986 CG GLN A 62 13.011 -2.795 4.471 1.00 26.38 C ATOM 987 CD GLN A 62 14.073 -3.032 5.528 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.474 -4.160 5.797 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.444 -1.924 6.269 1.00 32.71 N ATOM 0 H GLN A 62 10.925 -1.512 3.144 1.00 13.97 H new ATOM 0 HA GLN A 62 12.933 -1.799 1.101 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.298 -3.004 2.785 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.010 -1.345 3.270 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.300 -2.062 4.852 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.461 -3.723 4.318 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.092 -1.001 6.017 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.070 -2.031 7.067 1.00 32.71 H new ATOM 998 N LYS A 63 12.707 -4.473 1.416 1.00 11.73 N ATOM 999 CA LYS A 63 12.457 -5.874 1.287 1.00 11.97 C ATOM 1000 C LYS A 63 11.983 -6.492 2.609 1.00 10.41 C ATOM 1001 O LYS A 63 12.589 -6.242 3.666 1.00 9.59 O ATOM 1002 CB LYS A 63 13.717 -6.508 0.708 1.00 13.73 C ATOM 1003 CG LYS A 63 14.980 -6.238 1.605 1.00 16.98 C ATOM 1004 CD LYS A 63 16.174 -7.014 1.067 1.00 20.19 C ATOM 1005 CE LYS A 63 17.278 -7.193 2.185 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.503 -7.898 1.775 1.00 25.97 N ATOM 0 H LYS A 63 13.680 -4.245 1.211 1.00 11.73 H new ATOM 0 HA LYS A 63 11.630 -6.067 0.604 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.568 -7.583 0.607 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.893 -6.115 -0.293 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.205 -5.172 1.619 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.776 -6.535 2.634 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.848 -7.992 0.712 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.599 -6.489 0.211 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.557 -6.206 2.554 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.835 -7.732 3.022 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.155 -7.959 2.583 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.261 -8.857 1.453 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.960 -7.377 0.999 1.00 25.97 H new ATOM 1020 N GLU A 64 10.904 -7.279 2.571 1.00 10.04 N ATOM 1021 CA GLU A 64 10.217 -7.807 3.700 1.00 10.94 C ATOM 1022 C GLU A 64 9.683 -6.814 4.761 1.00 9.74 C ATOM 1023 O GLU A 64 9.967 -6.867 5.956 1.00 9.42 O ATOM 1024 CB GLU A 64 11.019 -9.065 4.235 1.00 18.31 C ATOM 1025 CG GLU A 64 11.371 -10.002 3.041 1.00 24.16 C ATOM 1026 CD GLU A 64 11.921 -11.266 3.599 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.129 -11.227 4.005 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.196 -12.281 3.720 1.00 31.72 O ATOM 0 H GLU A 64 10.481 -7.567 1.689 1.00 10.04 H new ATOM 0 HA GLU A 64 9.239 -8.139 3.351 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.930 -8.742 4.738 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.422 -9.604 4.971 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.484 -10.204 2.440 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.099 -9.526 2.384 1.00 24.16 H new ATOM 1035 N SER A 65 8.909 -5.812 4.230 1.00 6.85 N ATOM 1036 CA SER A 65 8.200 -4.768 5.012 1.00 6.90 C ATOM 1037 C SER A 65 6.749 -4.948 4.968 1.00 4.72 C ATOM 1038 O SER A 65 6.240 -5.343 3.927 1.00 3.91 O ATOM 1039 CB SER A 65 8.489 -3.316 4.455 1.00 7.28 C ATOM 1040 OG SER A 65 9.855 -3.152 4.721 1.00 10.56 O ATOM 0 H SER A 65 8.765 -5.715 3.225 1.00 6.85 H new ATOM 0 HA SER A 65 8.572 -4.871 6.031 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.272 -3.240 3.390 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.885 -2.561 4.958 1.00 7.28 H new ATOM 0 HG SER A 65 10.371 -3.340 3.909 1.00 10.56 H new ATOM 1046 N THR A 66 6.132 -4.544 6.086 1.00 4.48 N ATOM 1047 CA THR A 66 4.691 -4.749 6.280 1.00 3.80 C ATOM 1048 C THR A 66 3.998 -3.383 6.243 1.00 4.60 C ATOM 1049 O THR A 66 4.351 -2.501 7.030 1.00 5.33 O ATOM 1050 CB THR A 66 4.320 -5.376 7.661 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.748 -6.689 7.595 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.789 -5.415 7.935 1.00 3.40 C ATOM 0 H THR A 66 6.602 -4.078 6.862 1.00 4.48 H new ATOM 0 HA THR A 66 4.375 -5.431 5.491 1.00 3.80 H new ATOM 0 HB THR A 66 4.776 -4.778 8.450 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.544 -7.142 8.440 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.605 -5.863 8.912 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.391 -4.400 7.921 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.297 -6.009 7.165 1.00 3.40 H new ATOM 1060 N LEU A 67 3.006 -3.207 5.347 1.00 4.17 N ATOM 1061 CA LEU A 67 2.247 -2.010 5.250 1.00 3.85 C ATOM 1062 C LEU A 67 0.819 -2.353 5.712 1.00 3.80 C ATOM 1063 O LEU A 67 0.428 -3.493 5.676 1.00 5.54 O ATOM 1064 CB LEU A 67 1.997 -1.549 3.760 1.00 7.18 C ATOM 1065 CG LEU A 67 3.256 -1.517 2.820 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.882 -1.271 1.376 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.199 -0.481 3.447 1.00 11.66 C ATOM 0 H LEU A 67 2.730 -3.922 4.674 1.00 4.17 H new ATOM 0 HA LEU A 67 2.788 -1.251 5.814 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.256 -2.213 3.316 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.559 -0.551 3.780 1.00 7.18 H new ATOM 0 HG LEU A 67 3.766 -2.478 2.759 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.784 -1.257 0.764 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.221 -2.066 1.031 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.371 -0.312 1.291 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.104 -0.402 2.845 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.702 0.488 3.484 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.462 -0.793 4.458 1.00 11.66 H new ATOM 1079 N HIS A 68 0.002 -1.458 6.188 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.407 -1.605 6.581 1.00 4.17 C ATOM 1081 C HIS A 68 -2.269 -0.872 5.600 1.00 5.32 C ATOM 1082 O HIS A 68 -1.728 -0.092 4.776 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.699 -1.164 8.028 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.210 -2.093 9.110 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.018 -2.249 9.747 1.00 13.74 N flip ATOM 1086 CD2 HIS A 68 -2.008 -3.141 9.590 1.00 12.79 C flip ATOM 1087 CE1 HIS A 68 -0.033 -3.344 10.620 1.00 14.75 C flip ATOM 1088 NE2 HIS A 68 -1.261 -3.789 10.484 1.00 16.30 N flip ATOM 0 H HIS A 68 0.321 -0.500 6.333 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.642 -2.669 6.561 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.249 -0.184 8.187 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.776 -1.042 8.140 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.020 -3.375 9.296 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.751 -3.730 11.254 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.619 -4.576 11.025 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.553 -1.290 5.414 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.422 -0.974 4.297 1.00 3.97 C ATOM 1098 C LEU A 69 -5.668 -0.480 5.036 1.00 5.07 C ATOM 1099 O LEU A 69 -6.270 -1.196 5.793 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.711 -2.171 3.358 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.845 -1.991 2.348 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.692 -0.678 1.462 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.917 -3.291 1.515 1.00 9.96 C ATOM 0 H LEU A 69 -4.015 -1.892 6.095 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.990 -0.255 3.601 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.798 -2.401 2.808 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.939 -3.040 3.975 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.790 -1.831 2.868 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.528 -0.609 0.766 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.685 0.199 2.109 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.757 -0.723 0.903 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.716 -3.207 0.778 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.967 -3.449 1.004 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.119 -4.135 2.175 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.037 0.787 4.803 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.257 1.370 5.378 1.00 6.26 C ATOM 1117 C VAL A 70 -8.172 1.912 4.326 1.00 9.22 C ATOM 1118 O VAL A 70 -7.701 2.334 3.300 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.948 2.477 6.406 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.111 1.688 7.520 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.282 3.626 5.721 1.00 8.54 C ATOM 0 H VAL A 70 -5.505 1.431 4.217 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.760 0.550 5.891 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.798 2.966 6.881 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.828 2.375 8.317 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.721 0.885 7.933 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.213 1.266 7.069 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.064 4.407 6.449 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.352 3.288 5.263 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.943 4.022 4.950 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.512 1.757 4.490 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.465 1.999 3.439 1.00 16.06 C ATOM 1133 C LEU A 71 -11.541 2.939 4.006 1.00 18.09 C ATOM 1134 O LEU A 71 -12.185 2.746 5.018 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.195 0.731 2.911 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.222 -0.426 2.464 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.955 -1.713 2.189 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.289 -0.071 1.314 1.00 19.57 C ATOM 0 H LEU A 71 -9.936 1.459 5.368 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.904 2.410 2.599 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.858 0.354 3.690 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.823 1.011 2.066 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.574 -0.575 3.328 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.242 -2.480 1.884 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.473 -2.037 3.092 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.681 -1.555 1.391 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.659 -0.929 1.078 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.878 0.198 0.437 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.661 0.772 1.602 1.00 19.57 H new