USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 -60:sc= 1.86 USER MOD Set 1.2: A 57 SER OG : rot -45:sc= 0.727 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 171:sc= 0.901 (180deg=-0.0167) USER MOD Set 2.2: A 12 THR OG1 : rot 140:sc= 0.86 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00345) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.38 (180deg=2.34) USER MOD Single : A 2 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.078) USER MOD Single : A 7 THR OG1 : rot 51:sc= 0.0114 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00417 USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 1.23 (180deg=0.493) 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 22 THR OG1 : rot -170:sc= 0.00597 USER MOD Single : A 25 ASN : amide:sc= 0.275 K(o=0.27,f=-0.68) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 2.36 (180deg=2.11) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0.714 (180deg=0.712) USER MOD Single : A 31 GLN : amide:sc= -0.631 X(o=-0.63,f=-0.97) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.111 K(o=-0.11,f=-3!) USER MOD Single : A 41 GLN : amide:sc= -0.314 K(o=-0.31,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc=-0.00128 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 63 LYS NZ :NH3+ -128:sc= 1.27 (180deg=0.61) USER MOD Single : A 65 SER OG : rot -113:sc= 0.129 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.147 -7.269 -5.138 1.00 9.67 N ATOM 2 CA MET A 1 11.219 -7.933 -3.857 1.00 10.38 C ATOM 3 C MET A 1 9.821 -7.952 -3.235 1.00 9.62 C ATOM 4 O MET A 1 8.923 -7.319 -3.787 1.00 9.62 O ATOM 5 CB MET A 1 12.182 -7.112 -2.886 1.00 13.77 C ATOM 6 CG MET A 1 11.961 -5.611 -2.627 1.00 16.29 C ATOM 7 SD MET A 1 10.574 -5.119 -1.553 1.00 17.17 S ATOM 8 CE MET A 1 11.282 -3.476 -1.100 1.00 16.11 C ATOM 0 H1 MET A 1 12.085 -7.279 -5.587 1.00 9.67 H new ATOM 0 H2 MET A 1 10.465 -7.764 -5.748 1.00 9.67 H new ATOM 0 H3 MET A 1 10.839 -6.285 -5.002 1.00 9.67 H new ATOM 0 HA MET A 1 11.598 -8.946 -3.992 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.156 -7.610 -1.917 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.195 -7.222 -3.274 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.877 -5.209 -2.193 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.825 -5.123 -3.592 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.608 -2.966 -0.412 1.00 16.11 H new ATOM 0 HE2 MET A 1 12.251 -3.617 -0.621 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.406 -2.873 -1.999 1.00 16.11 H new ATOM 20 N GLN A 2 9.651 -8.604 -2.088 1.00 9.27 N ATOM 21 CA GLN A 2 8.364 -8.779 -1.432 1.00 9.07 C ATOM 22 C GLN A 2 8.034 -7.813 -0.244 1.00 8.72 C ATOM 23 O GLN A 2 8.851 -7.578 0.581 1.00 8.22 O ATOM 24 CB GLN A 2 8.075 -10.184 -0.924 1.00 14.46 C ATOM 25 CG GLN A 2 8.273 -11.243 -1.988 1.00 17.01 C ATOM 26 CD GLN A 2 8.076 -12.665 -1.437 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.684 -13.011 -0.419 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.178 -13.444 -2.074 1.00 19.49 N ATOM 0 H GLN A 2 10.424 -9.034 -1.579 1.00 9.27 H new ATOM 0 HA GLN A 2 7.725 -8.533 -2.280 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.725 -10.400 -0.077 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.049 -10.230 -0.558 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.571 -11.071 -2.804 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.276 -11.153 -2.406 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.708 -13.100 -2.912 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.969 -14.377 -1.718 1.00 19.49 H new ATOM 37 N ILE A 3 6.761 -7.406 -0.199 1.00 5.87 N ATOM 38 CA ILE A 3 6.163 -6.875 1.035 1.00 5.07 C ATOM 39 C ILE A 3 4.830 -7.520 1.288 1.00 4.01 C ATOM 40 O ILE A 3 4.154 -8.180 0.458 1.00 4.61 O ATOM 41 CB ILE A 3 6.056 -5.306 1.118 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.246 -4.795 -0.034 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.452 -4.681 1.127 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.877 -3.340 0.071 1.00 10.83 C ATOM 0 H ILE A 3 6.126 -7.433 -0.997 1.00 5.87 H new ATOM 0 HA ILE A 3 6.865 -7.138 1.826 1.00 5.07 H new ATOM 0 HB ILE A 3 5.556 -5.026 2.045 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.807 -4.951 -0.956 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.333 -5.385 -0.112 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.365 -3.596 1.185 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.009 -5.046 1.990 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.979 -4.954 0.213 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.292 -3.049 -0.801 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.288 -3.178 0.974 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.784 -2.737 0.117 1.00 10.83 H new ATOM 56 N PHE A 4 4.350 -7.254 2.473 1.00 4.55 N ATOM 57 CA PHE A 4 3.150 -8.019 2.932 1.00 4.68 C ATOM 58 C PHE A 4 2.092 -6.986 3.336 1.00 5.30 C ATOM 59 O PHE A 4 2.434 -5.940 3.842 1.00 5.58 O ATOM 60 CB PHE A 4 3.389 -8.787 4.267 1.00 4.83 C ATOM 61 CG PHE A 4 4.592 -9.648 4.143 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.575 -10.811 3.352 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.805 -9.326 4.805 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.674 -11.533 3.243 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.907 -10.171 4.781 1.00 10.61 C ATOM 66 CZ PHE A 4 6.880 -11.239 3.935 1.00 8.90 C ATOM 0 H PHE A 4 4.720 -6.564 3.126 1.00 4.55 H new ATOM 0 HA PHE A 4 2.887 -8.705 2.127 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.520 -8.080 5.086 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.518 -9.396 4.508 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.672 -11.110 2.840 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.874 -8.393 5.345 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.656 -12.395 2.592 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.762 -9.987 5.415 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.759 -11.851 3.793 1.00 8.90 H new ATOM 76 N VAL A 5 0.766 -7.184 3.055 1.00 4.44 N ATOM 77 CA VAL A 5 -0.167 -6.109 3.367 1.00 3.87 C ATOM 78 C VAL A 5 -1.245 -6.750 4.293 1.00 4.93 C ATOM 79 O VAL A 5 -1.895 -7.689 3.919 1.00 6.84 O ATOM 80 CB VAL A 5 -0.871 -5.599 2.172 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.761 -4.405 2.538 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.112 -5.236 1.021 1.00 9.13 C ATOM 0 H VAL A 5 0.362 -8.025 2.642 1.00 4.44 H new ATOM 0 HA VAL A 5 0.379 -5.277 3.811 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.507 -6.403 1.801 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.271 -4.044 1.645 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.500 -4.715 3.277 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.146 -3.606 2.953 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.451 -4.866 0.164 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.802 -4.465 1.362 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.674 -6.123 0.729 1.00 9.13 H new ATOM 92 N LYS A 6 -1.448 -6.109 5.464 1.00 6.04 N ATOM 93 CA LYS A 6 -2.493 -6.512 6.352 1.00 6.12 C ATOM 94 C LYS A 6 -3.620 -5.591 6.359 1.00 6.57 C ATOM 95 O LYS A 6 -3.533 -4.427 5.962 1.00 5.76 O ATOM 96 CB LYS A 6 -1.945 -6.732 7.794 1.00 7.45 C ATOM 97 CG LYS A 6 -0.982 -7.949 7.885 1.00 11.12 C ATOM 98 CD LYS A 6 -0.192 -8.075 9.195 1.00 14.54 C ATOM 99 CE LYS A 6 0.981 -9.067 9.068 1.00 18.84 C ATOM 100 NZ LYS A 6 0.576 -10.397 8.681 1.00 20.55 N ATOM 0 H LYS A 6 -0.892 -5.319 5.790 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.872 -7.461 5.973 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.422 -5.834 8.122 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.780 -6.882 8.478 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.563 -8.860 7.743 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.273 -7.891 7.059 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.191 -7.096 9.483 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.860 -8.403 9.991 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.691 -8.685 8.334 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.506 -9.120 10.022 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.418 -10.968 8.467 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.047 -10.839 9.460 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.030 -10.344 7.837 1.00 20.55 H new ATOM 114 N THR A 7 -4.848 -5.916 6.857 1.00 7.41 N ATOM 115 CA THR A 7 -5.978 -4.963 6.719 1.00 7.48 C ATOM 116 C THR A 7 -6.936 -5.265 7.824 1.00 8.75 C ATOM 117 O THR A 7 -6.890 -6.310 8.478 1.00 8.58 O ATOM 118 CB THR A 7 -6.663 -5.001 5.338 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.697 -4.036 5.126 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.287 -6.395 5.276 1.00 9.17 C ATOM 0 H THR A 7 -5.071 -6.789 7.335 1.00 7.41 H new ATOM 0 HA THR A 7 -5.597 -3.944 6.792 1.00 7.48 H new ATOM 0 HB THR A 7 -5.920 -4.771 4.574 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.368 -3.145 5.368 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.802 -6.521 4.324 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.505 -7.148 5.368 1.00 9.17 H new ATOM 0 HG23 THR A 7 -8.000 -6.511 6.092 1.00 9.17 H new ATOM 128 N LEU A 8 -7.839 -4.303 8.173 1.00 9.84 N ATOM 129 CA LEU A 8 -8.597 -4.369 9.375 1.00 14.15 C ATOM 130 C LEU A 8 -9.427 -5.566 9.449 1.00 17.37 C ATOM 131 O LEU A 8 -9.624 -6.062 10.565 1.00 17.01 O ATOM 132 CB LEU A 8 -9.338 -3.009 9.682 1.00 16.63 C ATOM 133 CG LEU A 8 -8.468 -1.796 9.805 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.302 -0.584 10.122 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.439 -1.953 10.942 1.00 18.59 C ATOM 0 H LEU A 8 -8.033 -3.479 7.604 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.899 -4.489 10.203 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.067 -2.830 8.891 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.897 -3.125 10.610 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.953 -1.679 8.851 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.656 0.290 10.208 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.027 -0.422 9.324 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.828 -0.741 11.064 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.824 -1.055 11.003 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.961 -2.101 11.887 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.803 -2.815 10.741 1.00 18.59 H new ATOM 147 N THR A 9 -9.963 -6.036 8.289 1.00 18.33 N ATOM 148 CA THR A 9 -10.921 -7.116 8.205 1.00 19.24 C ATOM 149 C THR A 9 -10.159 -8.401 7.901 1.00 19.48 C ATOM 150 O THR A 9 -10.697 -9.356 7.420 1.00 23.14 O ATOM 151 CB THR A 9 -11.979 -6.918 7.101 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.403 -6.391 5.891 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.870 -5.808 7.596 1.00 19.70 C ATOM 0 H THR A 9 -9.719 -5.648 7.378 1.00 18.33 H new ATOM 0 HA THR A 9 -11.450 -7.152 9.157 1.00 19.24 H new ATOM 0 HB THR A 9 -12.464 -7.873 6.901 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.104 -6.281 5.215 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.649 -5.611 6.860 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.329 -6.103 8.540 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.277 -4.906 7.747 1.00 19.70 H new ATOM 161 N GLY A 10 -8.845 -8.485 8.086 1.00 19.43 N ATOM 162 CA GLY A 10 -7.960 -9.672 7.964 1.00 18.74 C ATOM 163 C GLY A 10 -7.647 -10.186 6.568 1.00 17.62 C ATOM 164 O GLY A 10 -8.102 -9.617 5.587 1.00 19.74 O ATOM 0 H GLY A 10 -8.310 -7.657 8.349 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.015 -9.436 8.453 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.415 -10.487 8.526 1.00 18.74 H new ATOM 168 N LYS A 11 -6.730 -11.160 6.564 1.00 13.56 N ATOM 169 CA LYS A 11 -5.983 -11.642 5.419 1.00 11.91 C ATOM 170 C LYS A 11 -4.730 -10.839 5.269 1.00 10.18 C ATOM 171 O LYS A 11 -4.791 -9.604 5.255 1.00 9.10 O ATOM 172 CB LYS A 11 -6.745 -11.639 4.033 1.00 13.43 C ATOM 173 CG LYS A 11 -6.156 -12.551 2.850 1.00 16.69 C ATOM 174 CD LYS A 11 -7.149 -12.589 1.639 1.00 17.92 C ATOM 175 CE LYS A 11 -6.415 -13.322 0.490 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.309 -13.249 -0.715 1.00 21.93 N ATOM 0 H LYS A 11 -6.481 -11.658 7.419 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.791 -12.691 5.644 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.773 -11.951 4.216 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.783 -10.610 3.675 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.193 -12.158 2.525 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.981 -13.563 3.216 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.068 -13.111 1.907 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.432 -11.580 1.337 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.452 -12.853 0.286 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.214 -14.359 0.760 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.217 -14.124 -1.269 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.296 -13.135 -0.408 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.033 -12.437 -1.303 1.00 21.93 H new ATOM 190 N THR A 12 -3.568 -11.546 5.036 1.00 9.63 N ATOM 191 CA THR A 12 -2.382 -10.880 4.588 1.00 9.85 C ATOM 192 C THR A 12 -2.208 -11.277 3.100 1.00 11.66 C ATOM 193 O THR A 12 -2.475 -12.435 2.753 1.00 12.33 O ATOM 194 CB THR A 12 -1.066 -11.281 5.343 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.236 -11.228 6.753 1.00 10.91 O ATOM 196 CG2 THR A 12 0.058 -10.236 5.010 1.00 9.63 C ATOM 0 H THR A 12 -3.472 -12.554 5.161 1.00 9.63 H new ATOM 0 HA THR A 12 -2.516 -9.814 4.769 1.00 9.85 H new ATOM 0 HB THR A 12 -0.810 -12.292 5.027 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.778 -11.990 7.167 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.975 -10.509 5.532 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.241 -10.228 3.935 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.260 -9.244 5.331 1.00 9.63 H new ATOM 204 N ILE A 13 -1.682 -10.373 2.228 1.00 10.42 N ATOM 205 CA ILE A 13 -1.264 -10.642 0.817 1.00 11.84 C ATOM 206 C ILE A 13 0.128 -10.165 0.470 1.00 10.55 C ATOM 207 O ILE A 13 0.628 -9.176 1.027 1.00 11.92 O ATOM 208 CB ILE A 13 -2.214 -9.974 -0.148 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.407 -8.440 0.105 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.586 -10.744 -0.232 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.392 -7.697 -0.850 1.00 16.46 C ATOM 0 H ILE A 13 -1.531 -9.400 2.495 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.278 -11.728 0.731 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.737 -10.037 -1.126 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.756 -8.304 1.129 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.433 -7.957 0.034 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.246 -10.236 -0.935 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.410 -11.765 -0.572 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.053 -10.765 0.753 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.441 -6.643 -0.575 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.040 -7.788 -1.878 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.384 -8.140 -0.766 1.00 16.46 H new ATOM 223 N THR A 14 0.789 -10.951 -0.372 1.00 9.39 N ATOM 224 CA THR A 14 2.183 -10.762 -0.728 1.00 9.63 C ATOM 225 C THR A 14 2.332 -10.063 -2.036 1.00 11.20 C ATOM 226 O THR A 14 1.914 -10.466 -3.102 1.00 11.63 O ATOM 227 CB THR A 14 3.000 -12.008 -0.771 1.00 10.38 C ATOM 228 OG1 THR A 14 2.865 -12.764 0.369 1.00 16.30 O ATOM 229 CG2 THR A 14 4.497 -11.724 -0.743 1.00 11.66 C ATOM 0 H THR A 14 0.359 -11.752 -0.833 1.00 9.39 H new ATOM 0 HA THR A 14 2.568 -10.149 0.087 1.00 9.63 H new ATOM 0 HB THR A 14 2.651 -12.498 -1.680 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.417 -13.570 0.294 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.046 -12.665 -0.776 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.768 -11.115 -1.605 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.749 -11.189 0.173 1.00 11.66 H new ATOM 237 N LEU A 15 2.980 -8.879 -2.042 1.00 8.29 N ATOM 238 CA LEU A 15 3.157 -7.991 -3.218 1.00 9.03 C ATOM 239 C LEU A 15 4.588 -7.901 -3.603 1.00 8.59 C ATOM 240 O LEU A 15 5.444 -7.882 -2.740 1.00 7.79 O ATOM 241 CB LEU A 15 2.672 -6.532 -2.997 1.00 11.08 C ATOM 242 CG LEU A 15 1.301 -6.435 -2.415 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.936 -4.937 -2.377 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.304 -7.244 -3.215 1.00 15.27 C ATOM 0 H LEU A 15 3.411 -8.499 -1.199 1.00 8.29 H new ATOM 0 HA LEU A 15 2.546 -8.452 -3.994 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.374 -6.022 -2.337 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.690 -6.005 -3.951 1.00 11.08 H new ATOM 0 HG LEU A 15 1.275 -6.853 -1.409 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.063 -4.816 -1.957 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.657 -4.402 -1.758 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.955 -4.532 -3.389 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.684 -7.152 -2.765 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.272 -6.872 -4.239 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.605 -8.292 -3.219 1.00 15.27 H new ATOM 256 N GLU A 16 4.794 -7.856 -4.955 1.00 11.04 N ATOM 257 CA GLU A 16 6.078 -7.784 -5.617 1.00 11.50 C ATOM 258 C GLU A 16 6.381 -6.362 -5.960 1.00 10.13 C ATOM 259 O GLU A 16 5.706 -5.818 -6.817 1.00 9.83 O ATOM 260 CB GLU A 16 6.056 -8.792 -6.762 1.00 17.22 C ATOM 261 CG GLU A 16 7.288 -8.877 -7.702 1.00 23.33 C ATOM 262 CD GLU A 16 8.607 -8.957 -6.950 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.902 -9.985 -6.247 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.422 -8.009 -7.166 1.00 28.90 O ATOM 0 H GLU A 16 4.017 -7.871 -5.616 1.00 11.04 H new ATOM 0 HA GLU A 16 6.920 -8.075 -4.988 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.901 -9.780 -6.330 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.184 -8.573 -7.378 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.189 -9.753 -8.343 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.301 -8.004 -8.354 1.00 23.33 H new ATOM 271 N VAL A 17 7.436 -5.729 -5.403 1.00 8.99 N ATOM 272 CA VAL A 17 7.704 -4.315 -5.508 1.00 8.85 C ATOM 273 C VAL A 17 9.146 -4.030 -5.522 1.00 8.04 C ATOM 274 O VAL A 17 9.920 -4.860 -5.046 1.00 8.99 O ATOM 275 CB VAL A 17 7.125 -3.566 -4.335 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.617 -3.340 -4.507 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.458 -4.294 -3.002 1.00 10.54 C ATOM 0 H VAL A 17 8.138 -6.224 -4.852 1.00 8.99 H new ATOM 0 HA VAL A 17 7.247 -3.993 -6.444 1.00 8.85 H new ATOM 0 HB VAL A 17 7.588 -2.580 -4.295 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.230 -2.797 -3.645 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.437 -2.759 -5.412 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.112 -4.302 -4.587 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.031 -3.738 -2.167 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.037 -5.299 -3.021 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.540 -4.356 -2.882 1.00 10.54 H new ATOM 287 N GLU A 18 9.563 -2.943 -6.219 1.00 7.29 N ATOM 288 CA GLU A 18 10.885 -2.412 -6.166 1.00 7.08 C ATOM 289 C GLU A 18 10.950 -1.193 -5.225 1.00 6.45 C ATOM 290 O GLU A 18 9.947 -0.498 -5.069 1.00 5.28 O ATOM 291 CB GLU A 18 11.426 -1.939 -7.526 1.00 10.28 C ATOM 292 CG GLU A 18 11.520 -3.086 -8.531 1.00 12.65 C ATOM 293 CD GLU A 18 12.464 -4.249 -8.162 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.727 -4.194 -8.126 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.932 -5.349 -7.879 1.00 18.17 O ATOM 0 H GLU A 18 8.946 -2.421 -6.841 1.00 7.29 H new ATOM 0 HA GLU A 18 11.495 -3.242 -5.810 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.776 -1.160 -7.924 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.412 -1.494 -7.390 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.520 -3.493 -8.679 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.842 -2.676 -9.488 1.00 12.65 H new ATOM 302 N PRO A 19 12.116 -0.810 -4.629 1.00 7.24 N ATOM 303 CA PRO A 19 12.268 0.520 -4.006 1.00 7.07 C ATOM 304 C PRO A 19 11.807 1.707 -4.861 1.00 6.65 C ATOM 305 O PRO A 19 11.462 2.742 -4.298 1.00 6.37 O ATOM 306 CB PRO A 19 13.784 0.575 -3.685 1.00 7.61 C ATOM 307 CG PRO A 19 14.126 -0.876 -3.522 1.00 8.16 C ATOM 308 CD PRO A 19 13.371 -1.524 -4.691 1.00 7.49 C ATOM 0 HA PRO A 19 11.621 0.623 -3.135 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.354 1.040 -4.490 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.988 1.146 -2.779 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.200 -1.050 -3.585 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.796 -1.266 -2.559 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.882 -1.381 -5.643 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.243 -2.598 -4.556 1.00 7.49 H new ATOM 316 N SER A 20 11.834 1.577 -6.174 1.00 6.80 N ATOM 317 CA SER A 20 11.450 2.618 -7.079 1.00 6.28 C ATOM 318 C SER A 20 10.047 2.555 -7.612 1.00 8.45 C ATOM 319 O SER A 20 9.628 3.411 -8.369 1.00 7.26 O ATOM 320 CB SER A 20 12.510 2.730 -8.289 1.00 8.57 C ATOM 321 OG SER A 20 12.591 1.541 -9.154 1.00 11.13 O ATOM 0 H SER A 20 12.132 0.721 -6.641 1.00 6.80 H new ATOM 0 HA SER A 20 11.461 3.521 -6.468 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.248 3.591 -8.904 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.497 2.925 -7.871 1.00 8.57 H new ATOM 0 HG SER A 20 13.254 1.694 -9.860 1.00 11.13 H new ATOM 327 N ASP A 21 9.243 1.565 -7.162 1.00 7.50 N ATOM 328 CA ASP A 21 7.759 1.644 -7.329 1.00 7.70 C ATOM 329 C ASP A 21 7.078 2.713 -6.499 1.00 7.08 C ATOM 330 O ASP A 21 7.595 3.111 -5.448 1.00 8.11 O ATOM 331 CB ASP A 21 7.148 0.234 -7.098 1.00 11.00 C ATOM 332 CG ASP A 21 7.326 -0.683 -8.320 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.915 -0.292 -9.422 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.794 -1.788 -8.062 1.00 14.36 O ATOM 0 H ASP A 21 9.576 0.723 -6.693 1.00 7.50 H new ATOM 0 HA ASP A 21 7.569 1.967 -8.353 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.618 -0.226 -6.229 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.086 0.332 -6.871 1.00 11.00 H new ATOM 339 N THR A 22 5.966 3.243 -6.939 1.00 5.37 N ATOM 340 CA THR A 22 5.196 4.206 -6.267 1.00 6.01 C ATOM 341 C THR A 22 4.117 3.605 -5.533 1.00 8.01 C ATOM 342 O THR A 22 3.702 2.473 -5.805 1.00 8.11 O ATOM 343 CB THR A 22 4.582 5.292 -7.172 1.00 8.92 C ATOM 344 OG1 THR A 22 3.704 4.878 -8.236 1.00 10.22 O ATOM 345 CG2 THR A 22 5.760 5.955 -7.951 1.00 9.65 C ATOM 0 H THR A 22 5.565 2.982 -7.840 1.00 5.37 H new ATOM 0 HA THR A 22 5.916 4.684 -5.603 1.00 6.01 H new ATOM 0 HB THR A 22 4.001 5.898 -6.477 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.516 5.642 -8.821 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.370 6.733 -8.607 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.462 6.395 -7.243 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.272 5.200 -8.548 1.00 9.65 H new ATOM 353 N ILE A 23 3.542 4.294 -4.569 1.00 8.32 N ATOM 354 CA ILE A 23 2.381 3.919 -3.821 1.00 9.92 C ATOM 355 C ILE A 23 1.185 3.779 -4.802 1.00 10.01 C ATOM 356 O ILE A 23 0.347 2.912 -4.599 1.00 8.71 O ATOM 357 CB ILE A 23 2.208 4.992 -2.724 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.377 4.980 -1.729 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.839 4.864 -2.036 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.938 3.622 -1.244 1.00 12.30 C ATOM 0 H ILE A 23 3.910 5.198 -4.273 1.00 8.32 H new ATOM 0 HA ILE A 23 2.460 2.951 -3.325 1.00 9.92 H new ATOM 0 HB ILE A 23 2.229 5.971 -3.204 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.200 5.533 -2.182 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.064 5.540 -0.848 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.744 5.632 -1.268 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.047 4.990 -2.775 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.753 3.879 -1.577 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.758 3.795 -0.547 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.149 3.060 -0.744 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.303 3.053 -2.099 1.00 12.30 H new ATOM 372 N GLU A 24 1.071 4.570 -5.915 1.00 9.54 N ATOM 373 CA GLU A 24 0.114 4.446 -6.991 1.00 11.81 C ATOM 374 C GLU A 24 0.153 3.073 -7.687 1.00 11.14 C ATOM 375 O GLU A 24 -0.858 2.471 -7.982 1.00 10.62 O ATOM 376 CB GLU A 24 0.353 5.621 -8.053 1.00 19.24 C ATOM 377 CG GLU A 24 -0.690 5.770 -9.179 1.00 27.76 C ATOM 378 CD GLU A 24 -0.609 7.017 -10.046 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.450 7.146 -10.607 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.594 7.772 -10.183 1.00 34.80 O ATOM 0 H GLU A 24 1.703 5.356 -6.065 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.880 4.532 -6.551 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.401 6.564 -7.509 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.329 5.468 -8.513 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.609 4.900 -9.831 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.681 5.738 -8.727 1.00 27.76 H new ATOM 387 N ASN A 25 1.411 2.646 -7.965 1.00 9.43 N ATOM 388 CA ASN A 25 1.741 1.255 -8.363 1.00 10.96 C ATOM 389 C ASN A 25 1.332 0.230 -7.323 1.00 9.68 C ATOM 390 O ASN A 25 0.680 -0.786 -7.620 1.00 9.33 O ATOM 391 CB ASN A 25 3.128 1.018 -8.742 1.00 16.78 C ATOM 392 CG ASN A 25 3.647 1.887 -9.913 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.873 2.567 -10.575 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.971 1.928 -10.071 1.00 24.70 N ATOM 0 H ASN A 25 2.226 3.258 -7.919 1.00 9.43 H new ATOM 0 HA ASN A 25 1.143 1.127 -9.265 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.761 1.193 -7.872 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.240 -0.032 -9.012 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.382 2.547 -10.770 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.572 1.340 -9.493 1.00 24.70 H new ATOM 401 N VAL A 26 1.725 0.375 -6.022 1.00 6.52 N ATOM 402 CA VAL A 26 1.389 -0.579 -4.993 1.00 5.53 C ATOM 403 C VAL A 26 -0.112 -0.779 -4.819 1.00 4.42 C ATOM 404 O VAL A 26 -0.575 -1.881 -4.722 1.00 3.40 O ATOM 405 CB VAL A 26 2.021 -0.131 -3.675 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.752 -1.092 -2.497 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.538 -0.050 -3.769 1.00 8.12 C ATOM 0 H VAL A 26 2.280 1.163 -5.689 1.00 6.52 H new ATOM 0 HA VAL A 26 1.787 -1.546 -5.302 1.00 5.53 H new ATOM 0 HB VAL A 26 1.560 0.840 -3.494 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.232 -0.708 -1.597 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.678 -1.171 -2.330 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.156 -2.077 -2.731 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.945 0.272 -2.811 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.940 -1.031 -4.023 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.817 0.667 -4.541 1.00 8.12 H new ATOM 417 N LYS A 27 -0.951 0.305 -4.888 1.00 2.64 N ATOM 418 CA LYS A 27 -2.457 0.186 -4.859 1.00 4.14 C ATOM 419 C LYS A 27 -3.098 -0.505 -6.108 1.00 5.58 C ATOM 420 O LYS A 27 -3.996 -1.281 -5.992 1.00 4.11 O ATOM 421 CB LYS A 27 -3.092 1.548 -4.681 1.00 3.97 C ATOM 422 CG LYS A 27 -2.612 2.162 -3.373 1.00 7.45 C ATOM 423 CD LYS A 27 -3.359 3.389 -2.866 1.00 9.02 C ATOM 424 CE LYS A 27 -2.924 4.658 -3.681 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.028 5.655 -3.680 1.00 15.47 N ATOM 0 H LYS A 27 -0.617 1.266 -4.964 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.660 -0.466 -4.010 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.830 2.196 -5.517 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.178 1.457 -4.676 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.660 1.394 -2.601 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.562 2.430 -3.491 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.434 3.236 -2.962 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.152 3.539 -1.806 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.026 5.094 -3.242 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.675 4.377 -4.704 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.868 6.351 -4.436 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.934 5.170 -3.842 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.055 6.142 -2.761 1.00 15.47 H new ATOM 439 N ALA A 28 -2.506 -0.328 -7.293 1.00 6.61 N ATOM 440 CA ALA A 28 -2.871 -1.175 -8.415 1.00 7.74 C ATOM 441 C ALA A 28 -2.456 -2.636 -8.263 1.00 9.17 C ATOM 442 O ALA A 28 -3.226 -3.523 -8.647 1.00 11.45 O ATOM 443 CB ALA A 28 -2.168 -0.612 -9.652 1.00 7.68 C ATOM 0 H ALA A 28 -1.793 0.374 -7.491 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.959 -1.168 -8.485 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.416 -1.222 -10.521 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.497 0.413 -9.822 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.089 -0.626 -9.495 1.00 7.68 H new ATOM 449 N LYS A 29 -1.311 -2.991 -7.584 1.00 8.96 N ATOM 450 CA LYS A 29 -0.967 -4.390 -7.261 1.00 7.90 C ATOM 451 C LYS A 29 -1.943 -5.025 -6.262 1.00 6.92 C ATOM 452 O LYS A 29 -2.261 -6.193 -6.337 1.00 6.87 O ATOM 453 CB LYS A 29 0.438 -4.417 -6.721 1.00 10.28 C ATOM 454 CG LYS A 29 1.543 -4.088 -7.754 1.00 14.94 C ATOM 455 CD LYS A 29 2.938 -3.808 -7.149 1.00 19.69 C ATOM 456 CE LYS A 29 3.920 -3.355 -8.155 1.00 22.63 C ATOM 457 NZ LYS A 29 4.475 -4.333 -9.001 1.00 24.98 N ATOM 0 H LYS A 29 -0.622 -2.313 -7.258 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.041 -4.984 -8.172 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.508 -3.706 -5.898 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.633 -5.406 -6.306 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.627 -4.921 -8.452 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.232 -3.217 -8.332 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.846 -3.050 -6.371 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.309 -4.714 -6.669 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.440 -2.602 -8.780 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.737 -2.860 -7.630 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.120 -3.880 -9.679 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.002 -5.026 -8.432 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.714 -4.817 -9.518 1.00 24.98 H new ATOM 471 N ILE A 30 -2.431 -4.229 -5.262 1.00 4.57 N ATOM 472 CA ILE A 30 -3.539 -4.662 -4.383 1.00 5.58 C ATOM 473 C ILE A 30 -4.934 -4.797 -5.096 1.00 7.26 C ATOM 474 O ILE A 30 -5.716 -5.739 -4.851 1.00 9.46 O ATOM 475 CB ILE A 30 -3.799 -3.707 -3.173 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.491 -3.594 -2.401 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.895 -4.257 -2.207 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.438 -2.483 -1.298 1.00 2.00 C ATOM 0 H ILE A 30 -2.073 -3.297 -5.054 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.176 -5.637 -4.057 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.148 -2.747 -3.553 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.286 -4.555 -1.930 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.687 -3.410 -3.113 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.038 -3.557 -1.383 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.833 -4.375 -2.750 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.580 -5.223 -1.812 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.461 -2.496 -0.815 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.604 -1.508 -1.756 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.212 -2.671 -0.554 1.00 2.00 H new ATOM 490 N GLN A 31 -5.255 -3.983 -6.098 1.00 7.06 N ATOM 491 CA GLN A 31 -6.429 -4.156 -6.975 1.00 8.67 C ATOM 492 C GLN A 31 -6.289 -5.423 -7.758 1.00 10.90 C ATOM 493 O GLN A 31 -7.319 -6.122 -7.839 1.00 9.63 O ATOM 494 CB GLN A 31 -6.584 -2.930 -7.939 1.00 9.12 C ATOM 495 CG GLN A 31 -7.872 -2.950 -8.814 1.00 10.76 C ATOM 496 CD GLN A 31 -8.042 -1.587 -9.465 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.087 -0.920 -9.896 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.361 -1.203 -9.653 1.00 14.76 N ATOM 0 H GLN A 31 -4.698 -3.162 -6.335 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.325 -4.216 -6.358 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.578 -2.016 -7.346 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.715 -2.889 -8.596 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.799 -3.726 -9.576 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.741 -3.187 -8.201 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.117 -1.779 -9.283 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.575 -0.345 -10.161 1.00 14.76 H new ATOM 507 N ASP A 32 -5.135 -5.750 -8.318 1.00 10.93 N ATOM 508 CA ASP A 32 -4.834 -7.045 -8.963 1.00 14.01 C ATOM 509 C ASP A 32 -5.075 -8.185 -7.988 1.00 14.04 C ATOM 510 O ASP A 32 -5.655 -9.149 -8.423 1.00 13.39 O ATOM 511 CB ASP A 32 -3.419 -7.034 -9.479 1.00 18.01 C ATOM 512 CG ASP A 32 -3.078 -8.161 -10.435 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.691 -8.186 -11.536 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.125 -8.956 -10.115 1.00 25.17 O ATOM 0 H ASP A 32 -4.345 -5.106 -8.344 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.500 -7.199 -9.812 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.239 -6.084 -9.982 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.738 -7.079 -8.629 1.00 18.01 H new ATOM 519 N LYS A 33 -4.726 -8.056 -6.698 1.00 14.22 N ATOM 520 CA LYS A 33 -5.041 -9.093 -5.728 1.00 14.00 C ATOM 521 C LYS A 33 -6.511 -9.172 -5.339 1.00 12.37 C ATOM 522 O LYS A 33 -7.222 -10.119 -5.675 1.00 12.17 O ATOM 523 CB LYS A 33 -4.191 -8.835 -4.456 1.00 18.62 C ATOM 524 CG LYS A 33 -2.712 -9.015 -4.623 1.00 24.00 C ATOM 525 CD LYS A 33 -2.306 -10.472 -4.587 1.00 27.61 C ATOM 526 CE LYS A 33 -0.790 -10.713 -4.632 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.499 -12.194 -4.511 1.00 30.06 N ATOM 0 H LYS A 33 -4.232 -7.250 -6.315 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.809 -10.048 -6.199 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.380 -7.817 -4.114 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.535 -9.505 -3.668 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.399 -8.576 -5.570 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.190 -8.475 -3.833 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.706 -10.925 -3.680 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.768 -10.986 -5.430 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.380 -10.328 -5.566 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.303 -10.171 -3.822 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.529 -12.350 -4.542 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.876 -12.549 -3.609 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.950 -12.702 -5.299 1.00 30.06 H new ATOM 541 N GLU A 34 -7.020 -8.081 -4.720 1.00 10.11 N ATOM 542 CA GLU A 34 -8.189 -7.996 -3.874 1.00 10.07 C ATOM 543 C GLU A 34 -9.275 -7.110 -4.434 1.00 9.32 C ATOM 544 O GLU A 34 -10.422 -7.087 -3.964 1.00 11.61 O ATOM 545 CB GLU A 34 -7.817 -7.526 -2.448 1.00 14.77 C ATOM 546 CG GLU A 34 -7.002 -8.545 -1.610 1.00 18.75 C ATOM 547 CD GLU A 34 -7.626 -9.919 -1.461 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.642 -10.118 -0.690 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.161 -10.862 -2.130 1.00 25.19 O ATOM 0 H GLU A 34 -6.570 -7.171 -4.821 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.590 -9.009 -3.832 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.244 -6.602 -2.525 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.735 -7.288 -1.910 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.019 -8.660 -2.066 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.845 -8.127 -0.616 1.00 18.75 H new ATOM 556 N GLY A 35 -9.032 -6.399 -5.542 1.00 7.22 N ATOM 557 CA GLY A 35 -10.148 -5.892 -6.340 1.00 6.29 C ATOM 558 C GLY A 35 -10.703 -4.643 -5.835 1.00 6.93 C ATOM 559 O GLY A 35 -11.735 -4.104 -6.225 1.00 7.41 O ATOM 0 H GLY A 35 -8.103 -6.169 -5.896 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.812 -5.743 -7.366 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.936 -6.645 -6.369 1.00 6.29 H new ATOM 563 N ILE A 36 -9.878 -4.054 -4.928 1.00 5.86 N ATOM 564 CA ILE A 36 -10.140 -2.767 -4.272 1.00 6.07 C ATOM 565 C ILE A 36 -9.582 -1.657 -5.203 1.00 6.36 C ATOM 566 O ILE A 36 -8.402 -1.693 -5.549 1.00 6.18 O ATOM 567 CB ILE A 36 -9.482 -2.664 -2.836 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.951 -3.815 -1.950 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.917 -1.341 -2.198 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.262 -3.818 -0.588 1.00 9.49 C ATOM 0 H ILE A 36 -8.998 -4.478 -4.634 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.213 -2.658 -4.115 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.397 -2.712 -2.933 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.030 -3.745 -1.809 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.756 -4.761 -2.455 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.473 -1.252 -1.207 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.585 -0.510 -2.820 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.003 -1.318 -2.112 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.630 -4.656 0.004 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.185 -3.916 -0.725 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.478 -2.884 -0.069 1.00 9.49 H new ATOM 582 N PRO A 37 -10.373 -0.721 -5.681 1.00 8.65 N ATOM 583 CA PRO A 37 -9.926 0.497 -6.328 1.00 9.18 C ATOM 584 C PRO A 37 -8.814 1.322 -5.612 1.00 9.85 C ATOM 585 O PRO A 37 -8.773 1.397 -4.404 1.00 8.51 O ATOM 586 CB PRO A 37 -11.237 1.271 -6.563 1.00 11.42 C ATOM 587 CG PRO A 37 -12.281 0.161 -6.797 1.00 9.27 C ATOM 588 CD PRO A 37 -11.831 -0.860 -5.714 1.00 8.33 C ATOM 0 HA PRO A 37 -9.383 0.264 -7.244 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.496 1.890 -5.704 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.160 1.936 -7.423 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.302 0.509 -6.643 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.233 -0.251 -7.805 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.276 -0.636 -4.744 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.130 -1.876 -5.974 1.00 8.33 H new ATOM 596 N PRO A 38 -7.929 1.963 -6.373 1.00 8.71 N ATOM 597 CA PRO A 38 -6.875 2.786 -5.860 1.00 9.08 C ATOM 598 C PRO A 38 -7.326 3.882 -4.985 1.00 9.28 C ATOM 599 O PRO A 38 -6.537 4.393 -4.157 1.00 6.50 O ATOM 600 CB PRO A 38 -6.157 3.267 -7.159 1.00 10.31 C ATOM 601 CG PRO A 38 -6.235 2.016 -8.040 1.00 10.81 C ATOM 602 CD PRO A 38 -7.673 1.592 -7.780 1.00 12.00 C ATOM 0 HA PRO A 38 -6.215 2.244 -5.183 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.662 4.120 -7.614 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.127 3.570 -6.969 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.050 2.236 -9.091 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.516 1.253 -7.743 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.363 2.099 -8.454 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.804 0.521 -7.937 1.00 12.00 H new ATOM 610 N ASP A 39 -8.596 4.347 -5.139 1.00 11.20 N ATOM 611 CA ASP A 39 -9.094 5.483 -4.385 1.00 14.96 C ATOM 612 C ASP A 39 -10.020 4.969 -3.243 1.00 13.99 C ATOM 613 O ASP A 39 -10.579 5.766 -2.503 1.00 13.75 O ATOM 614 CB ASP A 39 -9.886 6.482 -5.192 1.00 24.16 C ATOM 615 CG ASP A 39 -9.006 7.372 -6.116 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.979 7.962 -5.670 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.419 7.481 -7.280 1.00 34.22 O ATOM 0 H ASP A 39 -9.275 3.940 -5.782 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.206 5.998 -4.018 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.615 5.948 -5.802 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.448 7.122 -4.512 1.00 24.16 H new ATOM 622 N GLN A 40 -10.081 3.626 -3.042 1.00 11.60 N ATOM 623 CA GLN A 40 -10.612 2.949 -1.850 1.00 10.76 C ATOM 624 C GLN A 40 -9.526 2.570 -0.847 1.00 8.01 C ATOM 625 O GLN A 40 -9.847 1.914 0.177 1.00 8.96 O ATOM 626 CB GLN A 40 -11.516 1.710 -2.183 1.00 11.14 C ATOM 627 CG GLN A 40 -12.882 2.157 -2.867 1.00 14.85 C ATOM 628 CD GLN A 40 -13.892 1.061 -2.803 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.164 0.316 -1.848 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.606 0.945 -3.966 1.00 18.16 N ATOM 0 H GLN A 40 -9.744 2.966 -3.743 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.253 3.694 -1.378 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.979 1.033 -2.847 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.729 1.156 -1.269 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.270 3.045 -2.367 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.701 2.430 -3.907 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.393 1.551 -4.758 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.351 0.253 -4.040 1.00 18.16 H new ATOM 639 N GLN A 41 -8.288 2.939 -1.094 1.00 6.52 N ATOM 640 CA GLN A 41 -7.252 2.621 -0.216 1.00 3.87 C ATOM 641 C GLN A 41 -6.545 3.777 0.446 1.00 4.79 C ATOM 642 O GLN A 41 -6.173 4.715 -0.235 1.00 6.34 O ATOM 643 CB GLN A 41 -6.236 1.721 -0.986 1.00 4.20 C ATOM 644 CG GLN A 41 -6.789 0.503 -1.724 1.00 3.20 C ATOM 645 CD GLN A 41 -5.727 -0.223 -2.513 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.570 -0.288 -2.215 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.237 -0.696 -3.704 1.00 7.13 N ATOM 0 H GLN A 41 -8.001 3.468 -1.918 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.716 2.107 0.626 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.716 2.346 -1.712 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.489 1.372 -0.273 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.235 -0.183 -1.004 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.585 0.820 -2.398 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.234 -0.612 -3.901 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.617 -1.130 -4.388 1.00 7.13 H new ATOM 656 N ARG A 42 -6.386 3.639 1.790 1.00 5.73 N ATOM 657 CA ARG A 42 -5.418 4.362 2.570 1.00 6.97 C ATOM 658 C ARG A 42 -4.348 3.401 2.995 1.00 7.15 C ATOM 659 O ARG A 42 -4.539 2.477 3.783 1.00 7.33 O ATOM 660 CB ARG A 42 -6.044 5.041 3.823 1.00 13.23 C ATOM 661 CG ARG A 42 -7.001 6.144 3.486 1.00 21.27 C ATOM 662 CD ARG A 42 -7.255 7.015 4.718 1.00 26.14 C ATOM 663 NE ARG A 42 -8.087 8.135 4.214 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.390 8.387 4.535 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.013 7.568 5.411 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.020 9.427 3.924 1.00 36.39 N ATOM 0 H ARG A 42 -6.954 3.001 2.347 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.009 5.162 1.953 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.564 4.287 4.414 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.245 5.441 4.448 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.596 6.753 2.678 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.941 5.724 3.128 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.771 6.457 5.499 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.321 7.376 5.148 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.641 8.781 3.563 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.510 6.780 5.819 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.986 7.738 5.665 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.519 9.998 3.243 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.993 9.636 4.147 1.00 36.39 H new ATOM 680 N LEU A 43 -3.134 3.677 2.474 1.00 4.65 N ATOM 681 CA LEU A 43 -2.009 2.824 2.808 1.00 3.51 C ATOM 682 C LEU A 43 -1.213 3.513 3.910 1.00 5.56 C ATOM 683 O LEU A 43 -1.016 4.697 3.827 1.00 4.19 O ATOM 684 CB LEU A 43 -1.063 2.458 1.587 1.00 3.74 C ATOM 685 CG LEU A 43 -1.761 1.828 0.365 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.665 1.244 -0.664 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.660 0.642 0.795 1.00 6.41 C ATOM 0 H LEU A 43 -2.926 4.454 1.847 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.415 1.866 3.135 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.552 3.365 1.263 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.296 1.768 1.940 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.360 2.609 -0.104 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.171 0.802 -1.522 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.016 2.052 -1.002 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.066 0.483 -0.164 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.142 0.214 -0.084 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.050 -0.119 1.282 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.421 0.996 1.490 1.00 6.41 H new ATOM 699 N ILE A 44 -0.786 2.766 4.962 1.00 4.58 N ATOM 700 CA ILE A 44 -0.221 3.358 6.204 1.00 5.55 C ATOM 701 C ILE A 44 1.070 2.564 6.495 1.00 5.46 C ATOM 702 O ILE A 44 1.064 1.331 6.552 1.00 6.04 O ATOM 703 CB ILE A 44 -1.198 3.121 7.391 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.620 3.735 7.187 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.551 3.572 8.705 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.635 5.195 6.960 1.00 13.90 C ATOM 0 H ILE A 44 -0.823 1.747 4.974 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.049 4.428 6.087 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.377 2.047 7.437 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.094 3.244 6.337 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.227 3.511 8.064 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.244 3.401 9.529 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.362 3.002 8.875 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.311 4.634 8.647 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.663 5.532 6.829 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.194 5.701 7.818 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.059 5.430 6.065 1.00 13.90 H new ATOM 718 N PHE A 45 2.242 3.220 6.677 1.00 6.75 N ATOM 719 CA PHE A 45 3.384 2.421 7.122 1.00 4.70 C ATOM 720 C PHE A 45 4.133 3.308 8.160 1.00 6.34 C ATOM 721 O PHE A 45 4.358 4.508 7.891 1.00 5.45 O ATOM 722 CB PHE A 45 4.402 2.084 5.978 1.00 5.51 C ATOM 723 CG PHE A 45 5.613 1.352 6.401 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.611 0.012 7.015 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.850 1.917 6.216 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.781 -0.682 7.304 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.041 1.259 6.547 1.00 6.64 C ATOM 728 CZ PHE A 45 7.996 -0.014 7.116 1.00 6.84 C ATOM 0 H PHE A 45 2.407 4.216 6.534 1.00 6.75 H new ATOM 0 HA PHE A 45 3.015 1.471 7.509 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.888 1.493 5.220 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.709 3.015 5.502 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.663 -0.449 7.250 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.907 2.911 5.798 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.753 -1.701 7.661 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.992 1.736 6.362 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.916 -0.493 7.417 1.00 6.84 H new ATOM 738 N ALA A 46 4.522 2.703 9.317 1.00 6.53 N ATOM 739 CA ALA A 46 5.141 3.431 10.401 1.00 7.15 C ATOM 740 C ALA A 46 4.388 4.628 11.100 1.00 9.00 C ATOM 741 O ALA A 46 4.982 5.641 11.453 1.00 11.15 O ATOM 742 CB ALA A 46 6.653 3.805 10.200 1.00 8.99 C ATOM 0 H ALA A 46 4.406 1.706 9.499 1.00 6.53 H new ATOM 0 HA ALA A 46 5.047 2.617 11.119 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.013 4.348 11.074 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.239 2.895 10.072 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.758 4.432 9.314 1.00 8.99 H new ATOM 748 N GLY A 47 3.060 4.498 11.191 1.00 9.35 N ATOM 749 CA GLY A 47 2.080 5.492 11.613 1.00 11.68 C ATOM 750 C GLY A 47 1.765 6.518 10.601 1.00 11.14 C ATOM 751 O GLY A 47 0.920 7.370 10.867 1.00 13.93 O ATOM 0 H GLY A 47 2.609 3.616 10.949 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.159 4.979 11.889 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.450 5.988 12.510 1.00 11.68 H new ATOM 755 N LYS A 48 2.387 6.495 9.372 1.00 10.47 N ATOM 756 CA LYS A 48 2.246 7.487 8.397 1.00 8.82 C ATOM 757 C LYS A 48 1.367 7.122 7.298 1.00 7.68 C ATOM 758 O LYS A 48 1.535 6.017 6.752 1.00 6.47 O ATOM 759 CB LYS A 48 3.649 7.848 7.768 1.00 9.74 C ATOM 760 CG LYS A 48 4.730 8.063 8.887 1.00 14.14 C ATOM 761 CD LYS A 48 6.013 8.790 8.312 1.00 16.32 C ATOM 762 CE LYS A 48 7.036 9.129 9.378 1.00 20.04 C ATOM 763 NZ LYS A 48 8.057 10.030 8.841 1.00 23.92 N ATOM 0 H LYS A 48 3.005 5.737 9.085 1.00 10.47 H new ATOM 0 HA LYS A 48 1.802 8.332 8.924 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.968 7.049 7.099 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.560 8.752 7.166 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.305 8.656 9.697 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.014 7.100 9.312 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.478 8.152 7.561 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.708 9.706 7.806 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.541 9.597 10.229 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.505 8.216 9.744 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.750 10.252 9.584 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.541 9.570 8.043 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.607 10.909 8.514 1.00 23.92 H new ATOM 777 N GLN A 49 0.440 7.960 6.893 1.00 8.89 N ATOM 778 CA GLN A 49 -0.267 7.791 5.626 1.00 7.18 C ATOM 779 C GLN A 49 0.540 8.135 4.395 1.00 8.23 C ATOM 780 O GLN A 49 1.146 9.205 4.191 1.00 9.70 O ATOM 781 CB GLN A 49 -1.476 8.772 5.666 1.00 11.67 C ATOM 782 CG GLN A 49 -2.548 8.524 4.607 1.00 15.82 C ATOM 783 CD GLN A 49 -3.768 9.419 4.700 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.405 9.662 5.751 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.105 10.007 3.592 1.00 20.67 N ATOM 0 H GLN A 49 0.149 8.780 7.426 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.529 6.736 5.541 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.940 8.712 6.651 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.102 9.789 5.551 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.099 8.651 3.622 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.873 7.486 4.678 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.589 9.812 2.734 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.885 10.664 3.580 1.00 20.67 H new ATOM 794 N LEU A 50 0.612 7.131 3.536 1.00 6.51 N ATOM 795 CA LEU A 50 1.467 7.147 2.314 1.00 7.41 C ATOM 796 C LEU A 50 0.791 7.880 1.128 1.00 8.27 C ATOM 797 O LEU A 50 -0.453 7.869 1.030 1.00 8.34 O ATOM 798 CB LEU A 50 1.969 5.788 1.803 1.00 7.13 C ATOM 799 CG LEU A 50 2.655 5.022 2.924 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.256 3.799 2.316 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.754 5.779 3.734 1.00 9.11 C ATOM 0 H LEU A 50 0.083 6.266 3.649 1.00 6.51 H new ATOM 0 HA LEU A 50 2.343 7.689 2.672 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.133 5.206 1.415 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.664 5.937 0.977 1.00 7.13 H new ATOM 0 HG LEU A 50 1.880 4.822 3.664 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.760 3.219 3.089 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.470 3.195 1.862 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.977 4.089 1.552 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.160 5.119 4.501 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.553 6.089 3.061 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.317 6.658 4.207 1.00 9.11 H new ATOM 813 N GLU A 51 1.571 8.485 0.203 1.00 9.43 N ATOM 814 CA GLU A 51 1.009 9.385 -0.860 1.00 11.90 C ATOM 815 C GLU A 51 1.374 8.921 -2.247 1.00 11.49 C ATOM 816 O GLU A 51 2.557 8.585 -2.489 1.00 9.88 O ATOM 817 CB GLU A 51 1.642 10.810 -0.712 1.00 16.56 C ATOM 818 CG GLU A 51 1.295 11.562 0.618 1.00 26.06 C ATOM 819 CD GLU A 51 -0.150 12.170 0.620 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.430 13.236 0.006 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.956 11.593 1.406 1.00 33.44 O ATOM 0 H GLU A 51 2.584 8.375 0.161 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.074 9.382 -0.735 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.726 10.718 -0.786 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.316 11.423 -1.552 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.394 10.871 1.456 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.019 12.361 0.777 1.00 26.06 H new ATOM 828 N ASP A 52 0.369 8.841 -3.124 1.00 12.71 N ATOM 829 CA ASP A 52 0.400 8.255 -4.417 1.00 16.56 C ATOM 830 C ASP A 52 1.583 8.525 -5.290 1.00 15.83 C ATOM 831 O ASP A 52 2.129 7.597 -5.871 1.00 17.21 O ATOM 832 CB ASP A 52 -0.834 8.773 -5.148 1.00 21.05 C ATOM 833 CG ASP A 52 -2.100 8.376 -4.482 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.372 8.838 -3.343 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.959 7.673 -5.118 1.00 25.82 O ATOM 0 H ASP A 52 -0.551 9.223 -2.905 1.00 12.71 H new ATOM 0 HA ASP A 52 0.446 7.180 -4.241 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.786 9.860 -5.210 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.832 8.395 -6.170 1.00 21.05 H new ATOM 840 N GLY A 53 2.046 9.787 -5.379 1.00 15.00 N ATOM 841 CA GLY A 53 3.163 10.170 -6.216 1.00 11.77 C ATOM 842 C GLY A 53 4.569 9.784 -5.874 1.00 11.10 C ATOM 843 O GLY A 53 5.555 10.120 -6.490 1.00 11.25 O ATOM 0 H GLY A 53 1.640 10.566 -4.860 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.961 9.777 -7.212 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.143 11.257 -6.292 1.00 11.77 H new ATOM 847 N ARG A 54 4.614 9.231 -4.605 1.00 8.53 N ATOM 848 CA ARG A 54 5.819 8.964 -3.865 1.00 9.05 C ATOM 849 C ARG A 54 6.139 7.518 -3.817 1.00 8.96 C ATOM 850 O ARG A 54 5.300 6.596 -4.000 1.00 11.60 O ATOM 851 CB ARG A 54 5.768 9.525 -2.409 1.00 7.97 C ATOM 852 CG ARG A 54 5.714 11.039 -2.274 1.00 9.62 C ATOM 853 CD ARG A 54 7.074 11.672 -2.562 1.00 12.20 C ATOM 854 NE ARG A 54 6.647 13.121 -2.730 1.00 18.23 N ATOM 855 CZ ARG A 54 7.235 14.034 -3.493 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.429 13.920 -4.030 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.531 15.115 -3.795 1.00 23.38 N ATOM 0 H ARG A 54 3.770 8.968 -4.096 1.00 8.53 H new ATOM 0 HA ARG A 54 6.608 9.484 -4.409 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.894 9.105 -1.911 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.645 9.164 -1.872 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.971 11.441 -2.962 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.393 11.305 -1.267 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.781 11.536 -1.744 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.543 11.267 -3.459 1.00 12.20 H new ATOM 0 HE ARG A 54 5.827 13.422 -2.204 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.981 13.077 -3.872 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.804 14.674 -4.605 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.579 15.218 -3.444 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.941 15.844 -4.379 1.00 23.38 H new ATOM 871 N THR A 55 7.421 7.222 -3.733 1.00 9.05 N ATOM 872 CA THR A 55 7.977 5.885 -3.849 1.00 9.03 C ATOM 873 C THR A 55 8.297 5.201 -2.546 1.00 8.15 C ATOM 874 O THR A 55 8.384 5.853 -1.545 1.00 5.91 O ATOM 875 CB THR A 55 9.254 5.718 -4.660 1.00 11.15 C ATOM 876 OG1 THR A 55 10.423 6.232 -4.098 1.00 11.95 O ATOM 877 CG2 THR A 55 9.225 6.251 -6.085 1.00 11.71 C ATOM 0 H THR A 55 8.134 7.934 -3.576 1.00 9.05 H new ATOM 0 HA THR A 55 7.132 5.435 -4.370 1.00 9.03 H new ATOM 0 HB THR A 55 9.281 4.628 -4.659 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.323 7.197 -3.961 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.190 6.074 -6.559 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.444 5.740 -6.649 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.019 7.321 -6.069 1.00 11.71 H new ATOM 885 N LEU A 56 8.421 3.840 -2.602 1.00 6.91 N ATOM 886 CA LEU A 56 8.856 3.021 -1.464 1.00 8.29 C ATOM 887 C LEU A 56 10.104 3.483 -0.730 1.00 8.05 C ATOM 888 O LEU A 56 10.045 3.629 0.526 1.00 10.17 O ATOM 889 CB LEU A 56 9.211 1.542 -1.821 1.00 6.60 C ATOM 890 CG LEU A 56 8.036 0.624 -1.631 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.881 0.923 -2.618 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.538 -0.823 -1.750 1.00 8.64 C ATOM 0 H LEU A 56 8.219 3.297 -3.442 1.00 6.91 H new ATOM 0 HA LEU A 56 7.964 3.122 -0.846 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.550 1.489 -2.856 1.00 6.60 H new ATOM 0 HB3 LEU A 56 10.039 1.206 -1.197 1.00 6.60 H new ATOM 0 HG LEU A 56 7.609 0.786 -0.641 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.059 0.231 -2.436 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.533 1.946 -2.472 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.237 0.803 -3.641 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.703 -1.510 -1.616 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.978 -0.975 -2.735 1.00 8.64 H new ATOM 0 HD23 LEU A 56 9.290 -1.012 -0.984 1.00 8.64 H new ATOM 904 N SER A 57 11.132 3.843 -1.508 1.00 8.92 N ATOM 905 CA SER A 57 12.395 4.382 -1.067 1.00 9.00 C ATOM 906 C SER A 57 12.290 5.667 -0.236 1.00 9.44 C ATOM 907 O SER A 57 12.933 5.886 0.747 1.00 10.91 O ATOM 908 CB SER A 57 13.355 4.450 -2.261 1.00 10.32 C ATOM 909 OG SER A 57 13.027 5.552 -3.160 1.00 13.59 O ATOM 0 H SER A 57 11.087 3.755 -2.523 1.00 8.92 H new ATOM 0 HA SER A 57 12.824 3.697 -0.336 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.376 4.568 -1.899 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.318 3.510 -2.811 1.00 10.32 H new ATOM 0 HG SER A 57 12.059 5.573 -3.312 1.00 13.59 H new ATOM 915 N ASP A 58 11.347 6.551 -0.657 1.00 9.11 N ATOM 916 CA ASP A 58 11.105 7.788 0.033 1.00 7.91 C ATOM 917 C ASP A 58 10.589 7.580 1.464 1.00 9.12 C ATOM 918 O ASP A 58 10.847 8.405 2.377 1.00 8.61 O ATOM 919 CB ASP A 58 10.012 8.568 -0.665 1.00 8.41 C ATOM 920 CG ASP A 58 10.416 8.933 -2.109 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.381 9.649 -2.174 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.684 8.567 -3.094 1.00 11.70 O ATOM 0 H ASP A 58 10.756 6.404 -1.475 1.00 9.11 H new ATOM 0 HA ASP A 58 12.064 8.306 0.043 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.095 7.979 -0.680 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.797 9.478 -0.104 1.00 8.41 H new ATOM 927 N TYR A 59 9.893 6.442 1.726 1.00 7.97 N ATOM 928 CA TYR A 59 9.253 6.115 2.942 1.00 8.45 C ATOM 929 C TYR A 59 10.052 4.996 3.652 1.00 10.98 C ATOM 930 O TYR A 59 9.523 4.454 4.587 1.00 12.95 O ATOM 931 CB TYR A 59 7.847 5.620 2.558 1.00 7.94 C ATOM 932 CG TYR A 59 6.956 6.708 2.104 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.793 7.837 2.955 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.179 6.653 0.908 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.024 8.896 2.585 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.244 7.692 0.666 1.00 6.52 C ATOM 937 CZ TYR A 59 5.176 8.839 1.440 1.00 6.76 C ATOM 938 OH TYR A 59 4.273 9.899 1.089 1.00 7.63 O ATOM 0 H TYR A 59 9.782 5.711 1.023 1.00 7.97 H new ATOM 0 HA TYR A 59 9.195 6.964 3.623 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.934 4.875 1.767 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.396 5.123 3.417 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.290 7.853 3.914 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.300 5.842 0.206 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.056 9.802 3.172 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.555 7.584 -0.158 1.00 6.52 H new ATOM 0 HH TYR A 59 4.640 10.755 1.393 1.00 7.63 H new ATOM 948 N ASN A 60 11.218 4.649 3.125 1.00 12.38 N ATOM 949 CA ASN A 60 12.122 3.660 3.744 1.00 13.94 C ATOM 950 C ASN A 60 11.428 2.286 4.027 1.00 14.16 C ATOM 951 O ASN A 60 11.512 1.754 5.126 1.00 14.26 O ATOM 952 CB ASN A 60 12.884 4.242 4.974 1.00 19.23 C ATOM 953 CG ASN A 60 13.682 5.462 4.543 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.310 6.577 4.959 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.761 5.288 3.718 1.00 24.09 N ATOM 0 H ASN A 60 11.575 5.041 2.253 1.00 12.38 H new ATOM 0 HA ASN A 60 12.888 3.437 3.001 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.177 4.514 5.758 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.550 3.488 5.393 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.305 6.095 3.413 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.020 4.351 3.408 1.00 24.09 H new ATOM 962 N ILE A 61 10.756 1.710 2.952 1.00 11.08 N ATOM 963 CA ILE A 61 10.042 0.498 2.950 1.00 11.78 C ATOM 964 C ILE A 61 10.911 -0.512 2.229 1.00 13.74 C ATOM 965 O ILE A 61 11.245 -0.350 1.056 1.00 14.60 O ATOM 966 CB ILE A 61 8.537 0.617 2.392 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.952 1.955 2.861 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.738 -0.658 2.805 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.499 2.295 2.461 1.00 11.42 C ATOM 0 H ILE A 61 10.739 2.162 2.038 1.00 11.08 H new ATOM 0 HA ILE A 61 9.860 0.164 3.971 1.00 11.78 H new ATOM 0 HB ILE A 61 8.488 0.639 1.303 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.013 1.982 3.949 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.596 2.750 2.485 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.717 -0.585 2.430 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.217 -1.541 2.382 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.721 -0.740 3.892 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.229 3.271 2.865 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.416 2.317 1.374 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.825 1.537 2.861 1.00 11.42 H new ATOM 981 N GLN A 62 11.418 -1.570 2.904 1.00 13.97 N ATOM 982 CA GLN A 62 12.452 -2.444 2.333 1.00 15.52 C ATOM 983 C GLN A 62 11.976 -3.889 2.219 1.00 13.94 C ATOM 984 O GLN A 62 10.827 -4.218 2.492 1.00 12.15 O ATOM 985 CB GLN A 62 13.776 -2.479 2.986 1.00 19.53 C ATOM 986 CG GLN A 62 13.782 -2.962 4.471 1.00 26.38 C ATOM 987 CD GLN A 62 15.129 -3.089 5.030 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.184 -2.845 4.425 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.153 -3.603 6.252 1.00 32.71 N ATOM 0 H GLN A 62 11.123 -1.833 3.844 1.00 13.97 H new ATOM 0 HA GLN A 62 12.604 -1.963 1.367 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.430 -3.132 2.407 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.208 -1.479 2.946 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.209 -2.260 5.077 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.277 -3.926 4.535 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.279 -3.800 6.740 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.045 -3.802 6.704 1.00 32.71 H new ATOM 998 N LYS A 63 12.841 -4.882 1.846 1.00 11.73 N ATOM 999 CA LYS A 63 12.452 -6.235 1.478 1.00 11.97 C ATOM 1000 C LYS A 63 11.851 -6.966 2.710 1.00 10.41 C ATOM 1001 O LYS A 63 12.388 -6.959 3.847 1.00 9.59 O ATOM 1002 CB LYS A 63 13.664 -6.989 0.933 1.00 13.73 C ATOM 1003 CG LYS A 63 13.529 -8.433 0.603 1.00 16.98 C ATOM 1004 CD LYS A 63 14.738 -8.903 -0.201 1.00 20.19 C ATOM 1005 CE LYS A 63 14.899 -10.430 -0.357 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.101 -11.071 0.939 1.00 25.97 N ATOM 0 H LYS A 63 13.849 -4.735 1.800 1.00 11.73 H new ATOM 0 HA LYS A 63 11.691 -6.196 0.699 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.992 -6.475 0.030 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.467 -6.893 1.664 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.443 -9.017 1.519 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.616 -8.600 0.032 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.681 -8.461 -1.196 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.638 -8.510 0.272 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.013 -10.845 -0.838 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.746 -10.645 -1.009 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.948 -11.673 0.900 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.227 -10.343 1.671 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.272 -11.655 1.171 1.00 25.97 H new ATOM 1020 N GLU A 64 10.672 -7.588 2.492 1.00 10.04 N ATOM 1021 CA GLU A 64 9.964 -8.388 3.429 1.00 10.94 C ATOM 1022 C GLU A 64 9.501 -7.582 4.637 1.00 9.74 C ATOM 1023 O GLU A 64 9.727 -7.881 5.783 1.00 9.42 O ATOM 1024 CB GLU A 64 10.668 -9.681 3.769 1.00 18.31 C ATOM 1025 CG GLU A 64 10.866 -10.627 2.549 1.00 24.16 C ATOM 1026 CD GLU A 64 11.814 -11.759 2.770 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.734 -12.276 3.881 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.775 -11.885 1.996 1.00 32.61 O ATOM 0 H GLU A 64 10.189 -7.521 1.596 1.00 10.04 H new ATOM 0 HA GLU A 64 9.050 -8.715 2.933 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.642 -9.451 4.201 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.096 -10.205 4.534 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.896 -11.036 2.266 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.221 -10.036 1.705 1.00 24.16 H new ATOM 1035 N SER A 65 8.760 -6.555 4.359 1.00 6.85 N ATOM 1036 CA SER A 65 8.294 -5.628 5.356 1.00 6.90 C ATOM 1037 C SER A 65 6.760 -5.552 5.321 1.00 4.72 C ATOM 1038 O SER A 65 6.144 -5.848 4.326 1.00 3.91 O ATOM 1039 CB SER A 65 8.751 -4.159 5.119 1.00 7.28 C ATOM 1040 OG SER A 65 8.521 -3.326 6.272 1.00 10.56 O ATOM 0 H SER A 65 8.453 -6.328 3.413 1.00 6.85 H new ATOM 0 HA SER A 65 8.705 -6.005 6.293 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.812 -4.146 4.869 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.217 -3.747 4.263 1.00 7.28 H new ATOM 0 HG SER A 65 7.836 -2.657 6.061 1.00 10.56 H new ATOM 1046 N THR A 66 6.102 -5.251 6.488 1.00 4.48 N ATOM 1047 CA THR A 66 4.676 -5.256 6.566 1.00 3.80 C ATOM 1048 C THR A 66 4.186 -3.845 6.276 1.00 4.60 C ATOM 1049 O THR A 66 4.604 -2.817 6.863 1.00 5.33 O ATOM 1050 CB THR A 66 4.079 -5.665 7.904 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.675 -6.924 8.260 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.611 -5.913 7.804 1.00 3.40 C ATOM 0 H THR A 66 6.571 -5.008 7.361 1.00 4.48 H new ATOM 0 HA THR A 66 4.353 -6.008 5.846 1.00 3.80 H new ATOM 0 HB THR A 66 4.261 -4.868 8.625 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.317 -7.224 9.122 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.224 -6.203 8.781 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.110 -5.004 7.470 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.425 -6.714 7.088 1.00 3.40 H new ATOM 1060 N LEU A 67 3.170 -3.705 5.413 1.00 4.17 N ATOM 1061 CA LEU A 67 2.468 -2.514 5.106 1.00 3.85 C ATOM 1062 C LEU A 67 0.984 -2.820 5.602 1.00 3.80 C ATOM 1063 O LEU A 67 0.542 -3.946 5.790 1.00 5.54 O ATOM 1064 CB LEU A 67 2.541 -2.311 3.579 1.00 7.18 C ATOM 1065 CG LEU A 67 1.737 -1.144 2.967 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.255 0.228 3.264 1.00 8.12 C ATOM 1067 CD2 LEU A 67 1.689 -1.186 1.451 1.00 11.66 C ATOM 0 H LEU A 67 2.813 -4.502 4.886 1.00 4.17 H new ATOM 0 HA LEU A 67 2.858 -1.608 5.571 1.00 3.85 H new ATOM 0 HB2 LEU A 67 3.588 -2.173 3.309 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.208 -3.233 3.103 1.00 7.18 H new ATOM 0 HG LEU A 67 0.766 -1.299 3.437 1.00 9.67 H new ATOM 0 HD11 LEU A 67 1.615 0.970 2.786 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.256 0.391 4.342 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.271 0.324 2.881 1.00 8.12 H new ATOM 0 HD21 LEU A 67 1.110 -0.340 1.082 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.702 -1.133 1.053 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.220 -2.115 1.127 1.00 11.66 H new ATOM 1079 N HIS A 68 0.278 -1.719 5.917 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.052 -1.694 6.548 1.00 4.17 C ATOM 1081 C HIS A 68 -1.959 -0.874 5.708 1.00 5.32 C ATOM 1082 O HIS A 68 -1.590 0.186 5.211 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.007 -0.989 7.946 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.106 -1.674 8.953 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.424 -2.908 9.466 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.098 -1.353 9.432 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.602 -3.255 10.282 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.566 -2.349 10.307 1.00 16.30 N ATOM 0 H HIS A 68 0.635 -0.782 5.730 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.388 -2.726 6.655 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.670 0.039 7.812 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.018 -0.943 8.351 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.638 -0.452 9.182 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.629 -4.173 10.851 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.439 -2.368 10.834 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.196 -1.421 5.439 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.202 -0.900 4.510 1.00 3.97 C ATOM 1098 C LEU A 69 -5.463 -0.633 5.259 1.00 5.07 C ATOM 1099 O LEU A 69 -5.976 -1.425 6.146 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.482 -1.974 3.461 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.762 -1.863 2.639 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.989 -0.614 1.803 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.735 -3.056 1.650 1.00 9.96 C ATOM 0 H LEU A 69 -3.508 -2.276 5.899 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.845 0.017 4.041 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.641 -1.989 2.767 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.494 -2.939 3.968 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.565 -1.839 3.376 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.943 -0.694 1.282 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.002 0.261 2.453 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.185 -0.513 1.074 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.630 -3.034 1.028 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.851 -2.983 1.016 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.705 -3.991 2.209 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.030 0.577 5.020 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.294 0.905 5.599 1.00 6.26 C ATOM 1117 C VAL A 70 -8.242 1.252 4.481 1.00 9.22 C ATOM 1118 O VAL A 70 -7.932 2.125 3.666 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.331 2.066 6.572 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.558 2.049 7.437 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.088 1.967 7.492 1.00 8.54 C ATOM 0 H VAL A 70 -5.618 1.307 4.439 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.560 0.022 6.181 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.341 2.989 5.993 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.536 2.901 8.116 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.447 2.108 6.809 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.583 1.125 8.015 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.094 2.794 8.202 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.112 1.022 8.035 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.183 2.015 6.887 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.416 0.534 4.382 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.440 0.876 3.433 1.00 16.06 C ATOM 1133 C LEU A 71 -11.022 2.268 3.603 1.00 18.09 C ATOM 1134 O LEU A 71 -11.268 2.753 4.702 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.688 -0.088 3.574 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.309 -0.545 2.237 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.031 0.473 1.377 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.253 -1.285 1.378 1.00 19.57 C ATOM 0 H LEU A 71 -9.637 -0.274 4.963 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.929 0.798 2.474 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.386 -0.970 4.138 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.455 0.418 4.160 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.115 -1.195 2.576 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.406 -0.012 0.476 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.866 0.895 1.936 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.341 1.270 1.100 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.705 -1.601 0.438 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.418 -0.616 1.172 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.892 -2.159 1.919 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.211 2.945 2.441 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.630 4.362 2.479 1.00 25.83 C ATOM 1152 C ARG A 72 -13.040 4.513 2.007 1.00 27.74 C ATOM 1153 O ARG A 72 -13.367 4.038 0.933 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.753 5.186 1.535 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.072 6.658 1.366 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.003 7.338 0.507 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.384 8.759 0.264 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.639 9.614 -0.401 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.429 9.287 -0.904 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.990 10.913 -0.541 1.00 35.02 N ATOM 0 H ARG A 72 -11.086 2.552 1.508 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.537 4.705 3.510 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.723 5.106 1.882 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.795 4.721 0.550 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.051 6.774 0.900 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.125 7.140 2.342 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.036 7.291 1.008 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.896 6.812 -0.442 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.275 9.087 0.636 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.060 8.345 -0.774 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.884 9.982 -1.414 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.856 11.255 -0.124 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.389 11.550 -1.064 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.948 5.169 2.724 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.309 5.383 2.255 1.00 30.76 C ATOM 1176 C LEU A 73 -15.480 6.785 1.699 1.00 32.18 C ATOM 1177 O LEU A 73 -14.737 7.701 2.059 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.359 5.188 3.414 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.461 3.766 3.922 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.244 3.692 5.166 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.978 2.755 2.846 1.00 29.11 C ATOM 0 H LEU A 73 -13.759 5.566 3.645 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.486 4.645 1.473 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.092 5.841 4.245 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.339 5.507 3.059 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.442 3.454 4.150 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.296 2.656 5.502 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.765 4.299 5.934 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.252 4.066 4.985 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.026 1.756 3.279 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.972 3.054 2.513 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.297 2.749 1.995 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.538 7.033 0.854 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.797 8.361 0.360 1.00 35.33 C ATOM 1195 C ARG A 74 -17.182 9.405 1.392 1.00 36.22 C ATOM 1196 O ARG A 74 -17.107 10.590 1.029 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.810 8.249 -0.788 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.437 7.315 -1.943 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.938 7.753 -3.354 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.194 8.870 -3.803 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.657 9.112 -5.033 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.835 8.422 -6.115 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.766 10.139 -5.020 1.00 41.93 N ATOM 0 H ARG A 74 -17.192 6.321 0.528 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.847 8.759 0.004 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.760 7.914 -0.372 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.974 9.246 -1.196 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.351 7.222 -1.975 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.835 6.323 -1.728 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.834 6.928 -4.059 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.998 8.004 -3.312 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.037 9.599 -3.107 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.434 7.596 -6.101 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.376 8.704 -6.981 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.568 10.631 -4.149 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.295 10.417 -5.881 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.506 8.957 2.650 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.894 9.779 3.780 1.00 36.07 C ATOM 1219 C GLY A 75 -16.780 10.097 4.757 1.00 36.16 C ATOM 1220 O GLY A 75 -17.013 10.878 5.714 1.00 36.26 O ATOM 0 H GLY A 75 -17.494 7.964 2.882 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.305 10.716 3.404 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.695 9.274 4.319 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.579 9.581 4.623 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.555 9.912 5.611 1.00 36.19 C ATOM 1226 C GLY A 76 -13.142 9.397 5.251 1.00 36.20 C ATOM 1227 O GLY A 76 -12.578 9.785 4.219 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.550 8.642 6.108 1.00 0.00 O ATOM 0 H GLY A 76 -15.286 8.954 3.874 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.516 10.995 5.730 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.847 9.496 6.575 1.00 36.19 H new TER 1232 GLY A 76