USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 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 140:sc= 1.33 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= 0.494 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.543 K(o=1,f=0) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.188 USER MOD Set 3.2: A 9 THR OG1 : rot -38:sc= 0.199 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 168:sc= 0.327 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 140:sc= 0.0621 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.109) USER MOD Single : A 1 MET N :NH3+ 180:sc= 2.38 (180deg=2.38) USER MOD Single : A 2 GLN : amide:sc=-0.00287 X(o=-0.0029,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 1.12 (180deg=0.305) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.02 (180deg=1.01) USER MOD Single : A 31 GLN : amide:sc= -1.04 K(o=-1,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0301) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 41 GLN : amide:sc= 0.972 K(o=0.97,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0198 K(o=-0.02,f=-0.74) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.0679 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 62 GLN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -0.0272 (180deg=-0.291) USER MOD Single : A 65 SER OG : rot -135:sc= 0.175 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0133 USER MOD Single : A 68 HIS : no HE2:sc= 0.165 K(o=0.16,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.803 -6.189 -5.179 1.00 9.67 N ATOM 2 CA MET A 1 10.922 -6.365 -3.673 1.00 10.38 C ATOM 3 C MET A 1 9.677 -7.021 -3.069 1.00 9.62 C ATOM 4 O MET A 1 8.546 -6.720 -3.493 1.00 9.62 O ATOM 5 CB MET A 1 11.131 -4.935 -3.122 1.00 13.77 C ATOM 6 CG MET A 1 11.451 -4.825 -1.632 1.00 16.29 C ATOM 7 SD MET A 1 11.894 -3.178 -1.062 1.00 17.17 S ATOM 8 CE MET A 1 10.240 -2.539 -0.833 1.00 16.11 C ATOM 0 H1 MET A 1 11.667 -5.742 -5.546 1.00 9.67 H new ATOM 0 H2 MET A 1 10.677 -7.118 -5.628 1.00 9.67 H new ATOM 0 H3 MET A 1 9.983 -5.586 -5.394 1.00 9.67 H new ATOM 0 HA MET A 1 11.745 -7.031 -3.412 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.941 -4.468 -3.682 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.230 -4.356 -3.322 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.585 -5.167 -1.065 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.272 -5.504 -1.402 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.287 -1.466 -0.649 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.649 -2.728 -1.729 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.774 -3.033 0.020 1.00 16.11 H new ATOM 20 N GLN A 2 9.856 -7.948 -2.099 1.00 9.27 N ATOM 21 CA GLN A 2 8.743 -8.523 -1.494 1.00 9.07 C ATOM 22 C GLN A 2 8.216 -7.669 -0.369 1.00 8.72 C ATOM 23 O GLN A 2 8.953 -7.217 0.503 1.00 8.22 O ATOM 24 CB GLN A 2 8.984 -9.920 -0.926 1.00 14.46 C ATOM 25 CG GLN A 2 7.758 -10.883 -0.818 1.00 17.01 C ATOM 26 CD GLN A 2 8.257 -12.251 -0.390 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.885 -12.457 0.639 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.905 -13.254 -1.182 1.00 19.49 N ATOM 0 H GLN A 2 10.760 -8.275 -1.759 1.00 9.27 H new ATOM 0 HA GLN A 2 8.020 -8.600 -2.306 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.739 -10.407 -1.543 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.411 -9.808 0.071 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.037 -10.499 -0.096 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.243 -10.950 -1.777 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.381 -13.069 -2.037 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.158 -14.211 -0.936 1.00 19.49 H new ATOM 37 N ILE A 3 6.881 -7.344 -0.298 1.00 5.87 N ATOM 38 CA ILE A 3 6.265 -6.679 0.821 1.00 5.07 C ATOM 39 C ILE A 3 4.981 -7.418 1.203 1.00 4.01 C ATOM 40 O ILE A 3 4.442 -8.200 0.450 1.00 4.61 O ATOM 41 CB ILE A 3 5.940 -5.177 0.561 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.979 -5.120 -0.638 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.350 -4.528 0.320 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.588 -3.638 -0.955 1.00 10.83 C ATOM 0 H ILE A 3 6.224 -7.557 -1.049 1.00 5.87 H new ATOM 0 HA ILE A 3 6.991 -6.701 1.634 1.00 5.07 H new ATOM 0 HB ILE A 3 5.436 -4.639 1.364 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.449 -5.573 -1.511 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.082 -5.701 -0.421 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.232 -3.462 0.126 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.971 -4.669 1.204 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.827 -5.002 -0.538 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.907 -3.615 -1.806 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.098 -3.197 -0.087 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.486 -3.068 -1.193 1.00 10.83 H new ATOM 56 N PHE A 4 4.387 -7.055 2.347 1.00 4.55 N ATOM 57 CA PHE A 4 3.190 -7.613 2.892 1.00 4.68 C ATOM 58 C PHE A 4 2.133 -6.502 3.088 1.00 5.30 C ATOM 59 O PHE A 4 2.473 -5.381 3.440 1.00 5.58 O ATOM 60 CB PHE A 4 3.339 -8.342 4.257 1.00 4.83 C ATOM 61 CG PHE A 4 4.132 -9.536 3.960 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.582 -10.703 3.399 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.554 -9.584 4.158 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.297 -11.884 3.214 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.331 -10.711 3.838 1.00 10.61 C ATOM 66 CZ PHE A 4 5.695 -11.875 3.441 1.00 8.90 C ATOM 0 H PHE A 4 4.771 -6.316 2.936 1.00 4.55 H new ATOM 0 HA PHE A 4 2.896 -8.365 2.160 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.837 -7.709 4.991 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.366 -8.606 4.672 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.546 -10.682 3.094 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.048 -8.717 4.571 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.795 -12.789 2.904 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.408 -10.669 3.901 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.268 -12.780 3.304 1.00 8.90 H new ATOM 76 N VAL A 5 0.857 -6.833 2.803 1.00 4.44 N ATOM 77 CA VAL A 5 -0.207 -5.908 3.049 1.00 3.87 C ATOM 78 C VAL A 5 -1.169 -6.626 3.964 1.00 4.93 C ATOM 79 O VAL A 5 -1.580 -7.748 3.740 1.00 6.84 O ATOM 80 CB VAL A 5 -0.892 -5.570 1.719 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.414 -5.146 1.790 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.109 -4.299 1.205 1.00 9.13 C ATOM 0 H VAL A 5 0.566 -7.727 2.408 1.00 4.44 H new ATOM 0 HA VAL A 5 0.144 -4.978 3.496 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.871 -6.468 1.101 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.780 -4.934 0.785 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.998 -5.957 2.225 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.515 -4.254 2.409 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.526 -3.976 0.251 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.204 -3.494 1.934 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.944 -4.548 1.075 1.00 9.13 H new ATOM 92 N LYS A 6 -1.458 -5.925 5.067 1.00 6.04 N ATOM 93 CA LYS A 6 -2.415 -6.406 6.079 1.00 6.12 C ATOM 94 C LYS A 6 -3.616 -5.446 6.032 1.00 6.57 C ATOM 95 O LYS A 6 -3.517 -4.234 6.065 1.00 5.76 O ATOM 96 CB LYS A 6 -1.873 -6.512 7.511 1.00 7.45 C ATOM 97 CG LYS A 6 -1.091 -7.805 7.804 1.00 11.12 C ATOM 98 CD LYS A 6 -0.685 -7.852 9.287 1.00 14.54 C ATOM 99 CE LYS A 6 -0.650 -9.181 10.023 1.00 18.84 C ATOM 100 NZ LYS A 6 0.325 -10.070 9.341 1.00 20.55 N ATOM 0 H LYS A 6 -1.043 -5.019 5.285 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.674 -7.434 5.827 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.224 -5.658 7.704 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.708 -6.442 8.208 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.703 -8.673 7.559 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.203 -7.853 7.174 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.309 -7.412 9.365 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.367 -7.198 9.831 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.362 -9.031 11.064 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.640 -9.637 10.029 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.515 -10.900 9.938 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.068 -10.382 8.430 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.212 -9.552 9.177 1.00 20.55 H new ATOM 114 N THR A 7 -4.812 -6.103 5.853 1.00 7.41 N ATOM 115 CA THR A 7 -6.130 -5.490 5.810 1.00 7.48 C ATOM 116 C THR A 7 -6.760 -5.330 7.203 1.00 8.75 C ATOM 117 O THR A 7 -6.331 -6.032 8.147 1.00 8.58 O ATOM 118 CB THR A 7 -7.014 -6.143 4.800 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.601 -7.336 5.300 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.223 -6.583 3.520 1.00 9.17 C ATOM 0 H THR A 7 -4.853 -7.115 5.733 1.00 7.41 H new ATOM 0 HA THR A 7 -6.000 -4.466 5.459 1.00 7.48 H new ATOM 0 HB THR A 7 -7.767 -5.390 4.566 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.174 -7.733 4.611 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.907 -7.053 2.813 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.766 -5.709 3.056 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.445 -7.293 3.799 1.00 9.17 H new ATOM 128 N LEU A 8 -7.810 -4.486 7.395 1.00 9.84 N ATOM 129 CA LEU A 8 -8.581 -4.239 8.603 1.00 14.15 C ATOM 130 C LEU A 8 -9.159 -5.480 9.125 1.00 17.37 C ATOM 131 O LEU A 8 -9.179 -5.787 10.279 1.00 17.01 O ATOM 132 CB LEU A 8 -9.603 -3.079 8.382 1.00 16.63 C ATOM 133 CG LEU A 8 -9.087 -1.724 7.838 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.170 -0.645 7.556 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.022 -1.240 8.756 1.00 18.59 C ATOM 0 H LEU A 8 -8.155 -3.917 6.622 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.916 -3.888 9.392 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.369 -3.440 7.696 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.095 -2.886 9.335 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.689 -1.907 6.840 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.693 0.260 7.179 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.873 -1.021 6.813 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.705 -0.416 8.478 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.639 -0.285 8.397 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.435 -1.113 9.757 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.211 -1.967 8.788 1.00 18.59 H new ATOM 147 N THR A 9 -9.699 -6.263 8.241 1.00 18.33 N ATOM 148 CA THR A 9 -10.419 -7.495 8.520 1.00 19.24 C ATOM 149 C THR A 9 -9.551 -8.601 9.029 1.00 19.48 C ATOM 150 O THR A 9 -9.953 -9.376 9.887 1.00 23.14 O ATOM 151 CB THR A 9 -11.120 -8.087 7.253 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.246 -8.496 6.240 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.069 -7.017 6.675 1.00 19.70 C ATOM 0 H THR A 9 -9.653 -6.058 7.243 1.00 18.33 H new ATOM 0 HA THR A 9 -11.138 -7.185 9.278 1.00 19.24 H new ATOM 0 HB THR A 9 -11.646 -8.982 7.585 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.494 -7.870 6.184 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.567 -7.412 5.790 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.816 -6.751 7.423 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.496 -6.131 6.403 1.00 19.70 H new ATOM 161 N GLY A 10 -8.233 -8.659 8.590 1.00 19.43 N ATOM 162 CA GLY A 10 -7.143 -9.402 9.152 1.00 18.74 C ATOM 163 C GLY A 10 -6.522 -10.415 8.143 1.00 17.62 C ATOM 164 O GLY A 10 -5.794 -11.361 8.510 1.00 19.74 O ATOM 0 H GLY A 10 -7.936 -8.130 7.770 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.371 -8.709 9.487 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.492 -9.941 10.033 1.00 18.74 H new ATOM 168 N LYS A 11 -6.775 -10.166 6.831 1.00 13.56 N ATOM 169 CA LYS A 11 -6.113 -10.860 5.734 1.00 11.91 C ATOM 170 C LYS A 11 -4.700 -10.228 5.472 1.00 10.18 C ATOM 171 O LYS A 11 -4.488 -9.030 5.554 1.00 9.10 O ATOM 172 CB LYS A 11 -6.956 -10.854 4.413 1.00 13.43 C ATOM 173 CG LYS A 11 -6.404 -11.738 3.345 1.00 16.69 C ATOM 174 CD LYS A 11 -7.412 -11.909 2.167 1.00 17.92 C ATOM 175 CE LYS A 11 -6.953 -12.988 1.179 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.809 -13.125 0.007 1.00 21.93 N ATOM 0 H LYS A 11 -7.452 -9.469 6.520 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.004 -11.901 6.037 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.975 -11.167 4.641 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.014 -9.834 4.034 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.471 -11.317 2.969 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.166 -12.715 3.766 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.393 -12.172 2.563 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.524 -10.960 1.643 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.940 -12.757 0.850 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.910 -13.946 1.698 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.783 -14.109 -0.329 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.786 -12.871 0.259 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.470 -12.493 -0.746 1.00 21.93 H new ATOM 190 N THR A 12 -3.757 -11.117 5.066 1.00 9.63 N ATOM 191 CA THR A 12 -2.460 -10.744 4.686 1.00 9.85 C ATOM 192 C THR A 12 -2.215 -11.193 3.324 1.00 11.66 C ATOM 193 O THR A 12 -2.446 -12.376 3.114 1.00 12.33 O ATOM 194 CB THR A 12 -1.300 -11.357 5.467 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.301 -10.932 6.842 1.00 10.91 O ATOM 196 CG2 THR A 12 0.031 -10.848 4.874 1.00 9.63 C ATOM 0 H THR A 12 -3.927 -12.121 5.009 1.00 9.63 H new ATOM 0 HA THR A 12 -2.463 -9.667 4.855 1.00 9.85 H new ATOM 0 HB THR A 12 -1.408 -12.440 5.404 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.066 -11.689 7.418 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.865 -11.281 5.426 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.098 -11.141 3.826 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.071 -9.761 4.950 1.00 9.63 H new ATOM 204 N ILE A 13 -1.711 -10.304 2.454 1.00 10.42 N ATOM 205 CA ILE A 13 -1.371 -10.692 1.097 1.00 11.84 C ATOM 206 C ILE A 13 0.058 -10.316 0.749 1.00 10.55 C ATOM 207 O ILE A 13 0.499 -9.210 1.069 1.00 11.92 O ATOM 208 CB ILE A 13 -2.390 -10.113 0.076 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.505 -8.569 0.125 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.743 -10.806 0.258 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.232 -8.002 -1.068 1.00 16.46 C ATOM 0 H ILE A 13 -1.535 -9.323 2.673 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.434 -11.779 1.037 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.015 -10.326 -0.925 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.027 -8.276 1.036 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.506 -8.136 0.176 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.459 -10.401 -0.457 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.629 -11.877 0.090 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.106 -10.634 1.271 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.283 -6.917 -0.981 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.698 -8.268 -1.980 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.242 -8.411 -1.107 1.00 16.46 H new ATOM 223 N THR A 14 0.828 -11.205 0.115 1.00 9.39 N ATOM 224 CA THR A 14 2.211 -10.989 -0.200 1.00 9.63 C ATOM 225 C THR A 14 2.326 -10.311 -1.542 1.00 11.20 C ATOM 226 O THR A 14 1.954 -10.928 -2.581 1.00 11.63 O ATOM 227 CB THR A 14 2.948 -12.317 -0.336 1.00 10.38 C ATOM 228 OG1 THR A 14 2.585 -13.302 0.625 1.00 16.30 O ATOM 229 CG2 THR A 14 4.441 -12.168 -0.393 1.00 11.66 C ATOM 0 H THR A 14 0.481 -12.113 -0.194 1.00 9.39 H new ATOM 0 HA THR A 14 2.638 -10.386 0.601 1.00 9.63 H new ATOM 0 HB THR A 14 2.607 -12.687 -1.303 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.101 -14.120 0.466 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.901 -13.151 -0.490 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.713 -11.554 -1.252 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.794 -11.690 0.521 1.00 11.66 H new ATOM 237 N LEU A 15 2.934 -9.088 -1.661 1.00 8.29 N ATOM 238 CA LEU A 15 3.090 -8.475 -3.002 1.00 9.03 C ATOM 239 C LEU A 15 4.486 -8.366 -3.463 1.00 8.59 C ATOM 240 O LEU A 15 5.281 -7.792 -2.766 1.00 7.79 O ATOM 241 CB LEU A 15 2.604 -7.003 -2.873 1.00 11.08 C ATOM 242 CG LEU A 15 1.202 -6.891 -2.285 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.958 -5.387 -2.010 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.118 -7.293 -3.232 1.00 15.27 C ATOM 0 H LEU A 15 3.303 -8.540 -0.884 1.00 8.29 H new ATOM 0 HA LEU A 15 2.541 -9.105 -3.702 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.301 -6.449 -2.245 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.619 -6.533 -3.856 1.00 11.08 H new ATOM 0 HG LEU A 15 1.164 -7.543 -1.412 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.037 -5.251 -1.586 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.705 -5.020 -1.306 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.034 -4.829 -2.944 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.850 -7.187 -2.743 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.151 -6.654 -4.115 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.262 -8.332 -3.530 1.00 15.27 H new ATOM 256 N GLU A 16 4.813 -8.919 -4.682 1.00 11.04 N ATOM 257 CA GLU A 16 6.061 -8.558 -5.311 1.00 11.50 C ATOM 258 C GLU A 16 5.868 -7.166 -6.058 1.00 10.13 C ATOM 259 O GLU A 16 4.953 -7.092 -6.878 1.00 9.83 O ATOM 260 CB GLU A 16 6.478 -9.577 -6.376 1.00 17.22 C ATOM 261 CG GLU A 16 7.720 -9.175 -7.229 1.00 23.33 C ATOM 262 CD GLU A 16 9.024 -9.090 -6.374 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.262 -9.923 -5.500 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.785 -8.101 -6.668 1.00 28.90 O ATOM 0 H GLU A 16 4.236 -9.582 -5.199 1.00 11.04 H new ATOM 0 HA GLU A 16 6.823 -8.515 -4.533 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.687 -10.527 -5.885 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.635 -9.743 -7.047 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.859 -9.902 -8.029 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.536 -8.211 -7.703 1.00 23.33 H new ATOM 271 N VAL A 17 6.680 -6.165 -5.647 1.00 8.99 N ATOM 272 CA VAL A 17 6.565 -4.881 -6.225 1.00 8.85 C ATOM 273 C VAL A 17 7.963 -4.293 -6.337 1.00 8.04 C ATOM 274 O VAL A 17 8.859 -4.451 -5.488 1.00 8.99 O ATOM 275 CB VAL A 17 5.713 -3.902 -5.477 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.229 -4.275 -5.613 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.089 -3.763 -4.002 1.00 10.54 C ATOM 0 H VAL A 17 7.398 -6.255 -4.928 1.00 8.99 H new ATOM 0 HA VAL A 17 6.069 -5.032 -7.184 1.00 8.85 H new ATOM 0 HB VAL A 17 5.896 -2.929 -5.933 1.00 9.78 H new ATOM 0 HG11 VAL A 17 3.621 -3.555 -5.065 1.00 12.05 H new ATOM 0 HG12 VAL A 17 3.946 -4.262 -6.665 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.066 -5.273 -5.206 1.00 12.05 H new ATOM 0 HG21 VAL A 17 5.430 -3.038 -3.525 1.00 10.54 H new ATOM 0 HG22 VAL A 17 5.984 -4.729 -3.507 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.122 -3.423 -3.920 1.00 10.54 H new ATOM 287 N GLU A 18 8.282 -3.491 -7.421 1.00 7.29 N ATOM 288 CA GLU A 18 9.584 -2.912 -7.486 1.00 7.08 C ATOM 289 C GLU A 18 9.762 -1.830 -6.459 1.00 6.45 C ATOM 290 O GLU A 18 8.779 -1.140 -6.271 1.00 5.28 O ATOM 291 CB GLU A 18 9.820 -2.381 -8.838 1.00 10.28 C ATOM 292 CG GLU A 18 9.378 -3.337 -10.006 1.00 12.65 C ATOM 293 CD GLU A 18 9.678 -2.747 -11.411 1.00 14.15 C ATOM 294 OE1 GLU A 18 9.180 -1.683 -11.803 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.517 -3.377 -12.130 1.00 14.33 O ATOM 0 H GLU A 18 7.658 -3.269 -8.197 1.00 7.29 H new ATOM 0 HA GLU A 18 10.315 -3.690 -7.267 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.288 -1.435 -8.940 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.882 -2.163 -8.948 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.891 -4.293 -9.901 1.00 12.65 H new ATOM 0 HG3 GLU A 18 8.310 -3.537 -9.921 1.00 12.65 H new ATOM 302 N PRO A 19 10.937 -1.588 -5.838 1.00 7.24 N ATOM 303 CA PRO A 19 11.154 -0.426 -4.946 1.00 7.07 C ATOM 304 C PRO A 19 10.889 0.889 -5.573 1.00 6.65 C ATOM 305 O PRO A 19 10.705 1.815 -4.822 1.00 6.37 O ATOM 306 CB PRO A 19 12.629 -0.539 -4.593 1.00 7.61 C ATOM 307 CG PRO A 19 13.315 -1.417 -5.648 1.00 8.16 C ATOM 308 CD PRO A 19 12.205 -2.329 -6.106 1.00 7.49 C ATOM 0 HA PRO A 19 10.467 -0.457 -4.100 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.089 0.449 -4.565 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.749 -0.975 -3.601 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.714 -0.823 -6.470 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.149 -1.977 -5.226 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.304 -2.565 -7.166 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.227 -3.275 -5.565 1.00 7.49 H new ATOM 316 N SER A 20 10.836 0.974 -6.908 1.00 6.80 N ATOM 317 CA SER A 20 10.619 2.198 -7.598 1.00 6.28 C ATOM 318 C SER A 20 9.168 2.380 -8.068 1.00 8.45 C ATOM 319 O SER A 20 8.850 3.382 -8.771 1.00 7.26 O ATOM 320 CB SER A 20 11.548 2.231 -8.790 1.00 8.57 C ATOM 321 OG SER A 20 11.356 1.044 -9.600 1.00 11.13 O ATOM 0 H SER A 20 10.947 0.169 -7.524 1.00 6.80 H new ATOM 0 HA SER A 20 10.820 3.016 -6.906 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.357 3.123 -9.386 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.583 2.288 -8.453 1.00 8.57 H new ATOM 0 HG SER A 20 11.960 1.073 -10.371 1.00 11.13 H new ATOM 327 N ASP A 21 8.263 1.482 -7.667 1.00 7.50 N ATOM 328 CA ASP A 21 6.860 1.691 -7.707 1.00 7.70 C ATOM 329 C ASP A 21 6.495 2.813 -6.740 1.00 7.08 C ATOM 330 O ASP A 21 6.803 2.817 -5.599 1.00 8.11 O ATOM 331 CB ASP A 21 6.070 0.439 -7.292 1.00 11.00 C ATOM 332 CG ASP A 21 5.895 -0.459 -8.479 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.568 -0.272 -9.522 1.00 18.03 O ATOM 334 OD2 ASP A 21 4.983 -1.244 -8.430 1.00 14.36 O ATOM 0 H ASP A 21 8.522 0.567 -7.298 1.00 7.50 H new ATOM 0 HA ASP A 21 6.600 1.941 -8.736 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.597 -0.090 -6.498 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.097 0.726 -6.893 1.00 11.00 H new ATOM 339 N THR A 22 5.719 3.766 -7.303 1.00 5.37 N ATOM 340 CA THR A 22 4.853 4.733 -6.619 1.00 6.01 C ATOM 341 C THR A 22 3.818 4.085 -5.724 1.00 8.01 C ATOM 342 O THR A 22 3.368 2.945 -5.997 1.00 8.11 O ATOM 343 CB THR A 22 4.264 5.854 -7.408 1.00 8.92 C ATOM 344 OG1 THR A 22 3.228 5.375 -8.248 1.00 10.22 O ATOM 345 CG2 THR A 22 5.217 6.684 -8.220 1.00 9.65 C ATOM 0 H THR A 22 5.684 3.882 -8.316 1.00 5.37 H new ATOM 0 HA THR A 22 5.595 5.243 -6.005 1.00 6.01 H new ATOM 0 HB THR A 22 3.887 6.533 -6.643 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.850 6.121 -8.759 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.665 7.463 -8.745 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.953 7.143 -7.560 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.726 6.049 -8.945 1.00 9.65 H new ATOM 353 N ILE A 23 3.314 4.804 -4.663 1.00 8.32 N ATOM 354 CA ILE A 23 2.255 4.379 -3.772 1.00 9.92 C ATOM 355 C ILE A 23 0.875 4.090 -4.391 1.00 10.01 C ATOM 356 O ILE A 23 0.238 3.056 -4.130 1.00 8.71 O ATOM 357 CB ILE A 23 2.247 5.216 -2.518 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.639 5.073 -1.875 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.097 4.765 -1.568 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.099 3.719 -1.426 1.00 12.30 C ATOM 0 H ILE A 23 3.672 5.729 -4.425 1.00 8.32 H new ATOM 0 HA ILE A 23 2.517 3.360 -3.486 1.00 9.92 H new ATOM 0 HB ILE A 23 2.055 6.266 -2.737 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.371 5.448 -2.590 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.671 5.735 -1.009 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.106 5.380 -0.668 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.139 4.880 -2.076 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.240 3.720 -1.295 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.098 3.798 -0.997 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.411 3.332 -0.674 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.123 3.041 -2.279 1.00 12.30 H new ATOM 372 N GLU A 24 0.595 4.856 -5.449 1.00 9.54 N ATOM 373 CA GLU A 24 -0.389 4.655 -6.405 1.00 11.81 C ATOM 374 C GLU A 24 -0.291 3.286 -7.107 1.00 11.14 C ATOM 375 O GLU A 24 -1.305 2.597 -7.309 1.00 10.62 O ATOM 376 CB GLU A 24 -0.340 5.796 -7.427 1.00 19.24 C ATOM 377 CG GLU A 24 -1.464 5.688 -8.471 1.00 27.76 C ATOM 378 CD GLU A 24 -1.528 6.838 -9.451 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.477 7.157 -9.991 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.647 7.457 -9.602 1.00 34.80 O ATOM 0 H GLU A 24 1.130 5.704 -5.635 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.349 4.653 -5.889 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.419 6.751 -6.907 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.626 5.788 -7.933 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.336 4.760 -9.028 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.419 5.618 -7.951 1.00 27.76 H new ATOM 387 N ASN A 25 0.961 2.824 -7.427 1.00 9.43 N ATOM 388 CA ASN A 25 1.274 1.554 -8.093 1.00 10.96 C ATOM 389 C ASN A 25 1.349 0.309 -7.206 1.00 9.68 C ATOM 390 O ASN A 25 1.040 -0.808 -7.616 1.00 9.33 O ATOM 391 CB ASN A 25 2.421 1.768 -9.144 1.00 16.78 C ATOM 392 CG ASN A 25 1.881 2.365 -10.414 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.359 1.730 -11.324 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.141 3.715 -10.505 1.00 24.70 N ATOM 0 H ASN A 25 1.800 3.363 -7.211 1.00 9.43 H new ATOM 0 HA ASN A 25 0.391 1.261 -8.661 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.185 2.423 -8.726 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.903 0.815 -9.362 1.00 16.78 H new ATOM 0 HD21 ASN A 25 1.897 4.225 -11.354 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.577 4.204 -9.723 1.00 24.70 H new ATOM 401 N VAL A 26 1.634 0.430 -5.901 1.00 6.52 N ATOM 402 CA VAL A 26 1.274 -0.591 -4.938 1.00 5.53 C ATOM 403 C VAL A 26 -0.182 -0.779 -4.780 1.00 4.42 C ATOM 404 O VAL A 26 -0.659 -1.923 -4.742 1.00 3.40 O ATOM 405 CB VAL A 26 1.940 -0.405 -3.533 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.730 -1.664 -2.716 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.477 -0.089 -3.696 1.00 8.12 C ATOM 0 H VAL A 26 2.116 1.234 -5.498 1.00 6.52 H new ATOM 0 HA VAL A 26 1.682 -1.500 -5.381 1.00 5.53 H new ATOM 0 HB VAL A 26 1.479 0.436 -3.015 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.191 -1.543 -1.736 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.662 -1.845 -2.595 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.186 -2.511 -3.229 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.929 0.038 -2.712 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.965 -0.914 -4.215 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.601 0.827 -4.273 1.00 8.12 H new ATOM 417 N LYS A 27 -1.064 0.285 -4.731 1.00 2.64 N ATOM 418 CA LYS A 27 -2.540 0.182 -4.635 1.00 4.14 C ATOM 419 C LYS A 27 -3.077 -0.560 -5.849 1.00 5.58 C ATOM 420 O LYS A 27 -4.072 -1.288 -5.827 1.00 4.11 O ATOM 421 CB LYS A 27 -3.158 1.587 -4.562 1.00 3.97 C ATOM 422 CG LYS A 27 -2.880 2.320 -3.208 1.00 7.45 C ATOM 423 CD LYS A 27 -3.507 3.718 -3.252 1.00 9.02 C ATOM 424 CE LYS A 27 -3.036 4.509 -2.063 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.582 5.884 -1.957 1.00 15.47 N ATOM 0 H LYS A 27 -0.742 1.252 -4.759 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.806 -0.367 -3.732 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.766 2.191 -5.380 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.235 1.510 -4.710 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.297 1.748 -2.379 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.806 2.395 -3.036 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.228 4.226 -4.175 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.594 3.642 -3.246 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.297 3.962 -1.157 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.948 4.570 -2.096 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.087 6.397 -1.200 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.445 6.382 -2.859 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.597 5.838 -1.737 1.00 15.47 H new ATOM 439 N ALA A 28 -2.395 -0.339 -6.990 1.00 6.61 N ATOM 440 CA ALA A 28 -2.840 -0.978 -8.159 1.00 7.74 C ATOM 441 C ALA A 28 -2.501 -2.478 -8.139 1.00 9.17 C ATOM 442 O ALA A 28 -3.378 -3.264 -8.534 1.00 11.45 O ATOM 443 CB ALA A 28 -2.241 -0.257 -9.383 1.00 7.68 C ATOM 0 H ALA A 28 -1.573 0.257 -7.089 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.927 -0.916 -8.219 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.581 -0.746 -10.296 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.565 0.784 -9.387 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.153 -0.298 -9.333 1.00 7.68 H new ATOM 449 N LYS A 29 -1.340 -2.910 -7.562 1.00 8.96 N ATOM 450 CA LYS A 29 -0.976 -4.291 -7.435 1.00 7.90 C ATOM 451 C LYS A 29 -1.946 -4.972 -6.535 1.00 6.92 C ATOM 452 O LYS A 29 -2.367 -6.088 -6.663 1.00 6.87 O ATOM 453 CB LYS A 29 0.508 -4.471 -6.969 1.00 10.28 C ATOM 454 CG LYS A 29 1.055 -5.904 -7.120 1.00 14.94 C ATOM 455 CD LYS A 29 1.063 -6.438 -8.562 1.00 19.69 C ATOM 456 CE LYS A 29 1.562 -7.849 -8.655 1.00 22.63 C ATOM 457 NZ LYS A 29 3.034 -7.880 -8.682 1.00 24.98 N ATOM 0 H LYS A 29 -0.644 -2.272 -7.177 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.027 -4.762 -8.417 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.140 -3.792 -7.541 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.586 -4.174 -5.923 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.072 -5.933 -6.730 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.457 -6.574 -6.502 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.053 -6.387 -8.969 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.689 -5.794 -9.180 1.00 19.69 H new ATOM 0 HE2 LYS A 29 1.197 -8.426 -7.805 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.167 -8.321 -9.554 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.359 -8.863 -8.781 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.378 -7.319 -9.487 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.406 -7.480 -7.797 1.00 24.98 H new ATOM 471 N ILE A 30 -2.489 -4.219 -5.533 1.00 4.57 N ATOM 472 CA ILE A 30 -3.396 -4.810 -4.526 1.00 5.58 C ATOM 473 C ILE A 30 -4.752 -5.034 -5.216 1.00 7.26 C ATOM 474 O ILE A 30 -5.372 -6.046 -4.973 1.00 9.46 O ATOM 475 CB ILE A 30 -3.616 -3.841 -3.377 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.334 -3.769 -2.513 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.848 -4.258 -2.576 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.359 -2.654 -1.474 1.00 2.00 C ATOM 0 H ILE A 30 -2.313 -3.222 -5.410 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.968 -5.735 -4.139 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.809 -2.837 -3.756 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.194 -4.724 -2.006 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.473 -3.626 -3.166 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.001 -3.559 -1.753 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.724 -4.251 -3.225 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.700 -5.262 -2.177 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.429 -2.665 -0.906 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.467 -1.692 -1.975 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.199 -2.807 -0.796 1.00 2.00 H new ATOM 490 N GLN A 31 -5.193 -4.140 -6.130 1.00 7.06 N ATOM 491 CA GLN A 31 -6.413 -4.182 -6.891 1.00 8.67 C ATOM 492 C GLN A 31 -6.469 -5.414 -7.826 1.00 10.90 C ATOM 493 O GLN A 31 -7.476 -6.140 -7.902 1.00 9.63 O ATOM 494 CB GLN A 31 -6.619 -2.907 -7.759 1.00 9.12 C ATOM 495 CG GLN A 31 -7.864 -3.037 -8.652 1.00 10.76 C ATOM 496 CD GLN A 31 -8.217 -1.745 -9.334 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.324 -1.050 -9.794 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.533 -1.395 -9.434 1.00 14.76 N ATOM 0 H GLN A 31 -4.642 -3.312 -6.355 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.209 -4.244 -6.149 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.722 -2.036 -7.112 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.739 -2.740 -8.380 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.689 -3.806 -9.404 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.708 -3.368 -8.048 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.253 -1.999 -9.038 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.796 -0.529 -9.905 1.00 14.76 H new ATOM 507 N ASP A 32 -5.372 -5.665 -8.574 1.00 10.93 N ATOM 508 CA ASP A 32 -5.184 -6.840 -9.402 1.00 14.01 C ATOM 509 C ASP A 32 -5.394 -8.107 -8.566 1.00 14.04 C ATOM 510 O ASP A 32 -6.116 -8.964 -9.022 1.00 13.39 O ATOM 511 CB ASP A 32 -3.740 -6.743 -9.952 1.00 18.01 C ATOM 512 CG ASP A 32 -3.414 -8.033 -10.755 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.128 -8.442 -11.707 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.424 -8.703 -10.432 1.00 26.29 O ATOM 0 H ASP A 32 -4.578 -5.026 -8.608 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.901 -6.890 -10.222 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.639 -5.866 -10.592 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.033 -6.622 -9.132 1.00 18.01 H new ATOM 519 N LYS A 33 -4.895 -8.111 -7.302 1.00 14.22 N ATOM 520 CA LYS A 33 -4.888 -9.273 -6.481 1.00 14.00 C ATOM 521 C LYS A 33 -6.128 -9.511 -5.636 1.00 12.37 C ATOM 522 O LYS A 33 -6.683 -10.657 -5.603 1.00 12.17 O ATOM 523 CB LYS A 33 -3.658 -9.163 -5.519 1.00 18.62 C ATOM 524 CG LYS A 33 -3.080 -10.535 -5.194 1.00 24.00 C ATOM 525 CD LYS A 33 -1.930 -10.519 -4.157 1.00 27.61 C ATOM 526 CE LYS A 33 -1.113 -11.832 -3.988 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.010 -12.969 -3.817 1.00 30.06 N ATOM 0 H LYS A 33 -4.493 -7.287 -6.855 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.847 -10.118 -7.168 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.889 -8.543 -5.979 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.959 -8.666 -4.597 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.881 -11.173 -4.820 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.715 -10.989 -6.115 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.238 -9.722 -4.431 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.352 -10.255 -3.187 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.479 -11.989 -4.861 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.452 -11.749 -3.125 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.456 -13.814 -3.571 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.688 -12.765 -3.055 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.527 -13.140 -4.703 1.00 30.06 H new ATOM 541 N GLU A 34 -6.684 -8.471 -4.948 1.00 10.11 N ATOM 542 CA GLU A 34 -7.883 -8.452 -4.041 1.00 10.07 C ATOM 543 C GLU A 34 -9.110 -7.720 -4.544 1.00 9.32 C ATOM 544 O GLU A 34 -10.241 -7.781 -4.023 1.00 11.61 O ATOM 545 CB GLU A 34 -7.489 -7.857 -2.677 1.00 14.77 C ATOM 546 CG GLU A 34 -6.609 -8.743 -1.776 1.00 18.75 C ATOM 547 CD GLU A 34 -7.393 -10.106 -1.600 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.463 -10.071 -1.029 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.822 -11.200 -1.839 1.00 25.19 O ATOM 0 H GLU A 34 -6.272 -7.540 -5.017 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.180 -9.499 -3.981 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.964 -6.918 -2.852 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.402 -7.615 -2.133 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.632 -8.911 -2.229 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.435 -8.266 -0.811 1.00 18.75 H new ATOM 556 N GLY A 35 -9.035 -6.962 -5.647 1.00 7.22 N ATOM 557 CA GLY A 35 -10.177 -6.274 -6.251 1.00 6.29 C ATOM 558 C GLY A 35 -10.613 -4.974 -5.662 1.00 6.93 C ATOM 559 O GLY A 35 -11.601 -4.491 -6.270 1.00 7.41 O ATOM 0 H GLY A 35 -8.161 -6.809 -6.151 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.943 -6.101 -7.301 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.028 -6.954 -6.222 1.00 6.29 H new ATOM 563 N ILE A 36 -9.918 -4.461 -4.666 1.00 5.86 N ATOM 564 CA ILE A 36 -10.228 -3.237 -3.997 1.00 6.07 C ATOM 565 C ILE A 36 -9.869 -1.996 -4.850 1.00 6.36 C ATOM 566 O ILE A 36 -8.687 -1.962 -5.206 1.00 6.18 O ATOM 567 CB ILE A 36 -9.641 -3.152 -2.575 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.769 -4.467 -1.791 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.262 -1.942 -1.879 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.062 -4.388 -0.425 1.00 9.49 C ATOM 0 H ILE A 36 -9.085 -4.916 -4.292 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.311 -3.237 -3.871 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.562 -3.004 -2.628 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.823 -4.700 -1.642 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.342 -5.282 -2.375 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.862 -1.859 -0.868 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.023 -1.038 -2.439 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.344 -2.065 -1.832 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.175 -5.337 0.099 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.003 -4.181 -0.575 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.507 -3.590 0.170 1.00 9.49 H new ATOM 582 N PRO A 37 -10.738 -1.085 -5.210 1.00 8.65 N ATOM 583 CA PRO A 37 -10.416 0.106 -5.966 1.00 9.18 C ATOM 584 C PRO A 37 -9.207 0.846 -5.419 1.00 9.85 C ATOM 585 O PRO A 37 -9.322 1.110 -4.216 1.00 8.51 O ATOM 586 CB PRO A 37 -11.606 1.088 -5.874 1.00 11.42 C ATOM 587 CG PRO A 37 -12.757 0.090 -5.680 1.00 9.27 C ATOM 588 CD PRO A 37 -12.106 -0.980 -4.723 1.00 8.33 C ATOM 0 HA PRO A 37 -10.203 -0.218 -6.985 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.511 1.782 -5.039 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.722 1.689 -6.776 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.633 0.559 -5.231 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.079 -0.349 -6.624 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.138 -0.659 -3.682 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.626 -1.936 -4.778 1.00 8.33 H new ATOM 596 N PRO A 38 -8.182 1.327 -6.126 1.00 8.71 N ATOM 597 CA PRO A 38 -7.146 2.135 -5.449 1.00 9.08 C ATOM 598 C PRO A 38 -7.632 3.533 -4.967 1.00 9.28 C ATOM 599 O PRO A 38 -6.950 4.219 -4.241 1.00 6.50 O ATOM 600 CB PRO A 38 -6.134 2.302 -6.552 1.00 10.31 C ATOM 601 CG PRO A 38 -7.042 2.415 -7.792 1.00 10.81 C ATOM 602 CD PRO A 38 -8.049 1.313 -7.557 1.00 12.00 C ATOM 0 HA PRO A 38 -6.792 1.656 -4.536 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.519 3.191 -6.412 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.455 1.452 -6.617 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.518 3.393 -7.859 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.486 2.267 -8.718 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.997 1.514 -8.056 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.693 0.350 -7.924 1.00 12.00 H new ATOM 610 N ASP A 39 -8.907 3.850 -5.297 1.00 11.20 N ATOM 611 CA ASP A 39 -9.442 5.076 -4.882 1.00 14.96 C ATOM 612 C ASP A 39 -10.250 4.850 -3.676 1.00 13.99 C ATOM 613 O ASP A 39 -10.805 5.819 -3.162 1.00 13.75 O ATOM 614 CB ASP A 39 -10.399 5.674 -5.955 1.00 24.16 C ATOM 615 CG ASP A 39 -9.603 6.198 -7.117 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.566 6.836 -6.943 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.056 5.877 -8.260 1.00 35.55 O ATOM 0 H ASP A 39 -9.537 3.258 -5.839 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.612 5.760 -4.707 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.098 4.911 -6.297 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.992 6.477 -5.518 1.00 24.16 H new ATOM 622 N GLN A 40 -10.177 3.647 -3.093 1.00 11.60 N ATOM 623 CA GLN A 40 -10.734 3.449 -1.759 1.00 10.76 C ATOM 624 C GLN A 40 -9.663 2.953 -0.778 1.00 8.01 C ATOM 625 O GLN A 40 -10.013 2.752 0.404 1.00 8.96 O ATOM 626 CB GLN A 40 -11.846 2.377 -1.851 1.00 11.14 C ATOM 627 CG GLN A 40 -13.186 2.884 -2.308 1.00 14.85 C ATOM 628 CD GLN A 40 -14.264 1.708 -2.542 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.979 0.588 -2.244 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.411 2.051 -3.045 1.00 18.16 N ATOM 0 H GLN A 40 -9.750 2.821 -3.513 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.124 4.400 -1.397 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.519 1.594 -2.535 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.965 1.914 -0.871 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.575 3.582 -1.567 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.059 3.442 -3.236 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.594 3.027 -3.279 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.129 1.345 -3.206 1.00 18.16 H new ATOM 639 N GLN A 41 -8.441 2.792 -1.260 1.00 6.52 N ATOM 640 CA GLN A 41 -7.348 2.137 -0.509 1.00 3.87 C ATOM 641 C GLN A 41 -6.350 3.229 0.072 1.00 4.79 C ATOM 642 O GLN A 41 -5.772 3.980 -0.715 1.00 6.34 O ATOM 643 CB GLN A 41 -6.456 1.408 -1.589 1.00 4.20 C ATOM 644 CG GLN A 41 -6.932 -0.043 -1.984 1.00 3.20 C ATOM 645 CD GLN A 41 -5.907 -0.643 -2.939 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.738 -0.709 -2.539 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.302 -1.164 -4.104 1.00 7.13 N ATOM 0 H GLN A 41 -8.164 3.110 -2.189 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.776 1.507 0.270 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.429 2.022 -2.489 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.435 1.348 -1.213 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.031 -0.665 -1.094 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.913 -0.005 -2.457 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.277 -1.086 -4.393 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.629 -1.640 -4.704 1.00 7.13 H new ATOM 656 N ARG A 42 -6.094 3.276 1.409 1.00 5.73 N ATOM 657 CA ARG A 42 -4.961 4.075 1.886 1.00 6.97 C ATOM 658 C ARG A 42 -4.038 3.097 2.471 1.00 7.15 C ATOM 659 O ARG A 42 -4.464 2.014 2.871 1.00 7.33 O ATOM 660 CB ARG A 42 -5.498 5.036 2.967 1.00 13.23 C ATOM 661 CG ARG A 42 -6.267 6.244 2.322 1.00 21.27 C ATOM 662 CD ARG A 42 -7.007 7.109 3.307 1.00 26.14 C ATOM 663 NE ARG A 42 -7.351 8.373 2.661 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.841 9.490 3.180 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.321 9.565 4.414 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.941 10.528 2.339 1.00 36.39 N ATOM 0 H ARG A 42 -6.631 2.794 2.130 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.470 4.664 1.112 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.164 4.495 3.640 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.670 5.409 3.570 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.554 6.863 1.777 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.977 5.858 1.591 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.910 6.603 3.650 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.390 7.291 4.187 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.189 8.400 1.654 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.324 8.738 5.011 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.687 10.450 4.766 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.648 10.427 1.367 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.310 11.419 2.671 1.00 36.39 H new ATOM 680 N LEU A 43 -2.745 3.378 2.583 1.00 4.65 N ATOM 681 CA LEU A 43 -1.788 2.451 3.233 1.00 3.51 C ATOM 682 C LEU A 43 -0.915 3.235 4.238 1.00 5.56 C ATOM 683 O LEU A 43 -0.616 4.403 4.019 1.00 4.19 O ATOM 684 CB LEU A 43 -0.701 1.861 2.288 1.00 3.74 C ATOM 685 CG LEU A 43 -1.238 1.002 1.152 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.095 0.378 0.336 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.036 -0.198 1.669 1.00 6.41 C ATOM 0 H LEU A 43 -2.322 4.239 2.236 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.428 1.670 3.642 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.126 2.683 1.862 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.010 1.262 2.882 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.857 1.674 0.557 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.511 -0.230 -0.468 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.522 1.169 -0.090 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.516 -0.249 0.986 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.400 -0.783 0.825 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.394 -0.821 2.292 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.882 0.155 2.258 1.00 6.41 H new ATOM 699 N ILE A 44 -0.635 2.666 5.429 1.00 4.58 N ATOM 700 CA ILE A 44 0.004 3.344 6.586 1.00 5.55 C ATOM 701 C ILE A 44 1.208 2.467 7.037 1.00 5.46 C ATOM 702 O ILE A 44 1.021 1.237 7.216 1.00 6.04 O ATOM 703 CB ILE A 44 -0.939 3.587 7.754 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.127 4.505 7.273 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.219 4.326 8.863 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.982 4.928 8.389 1.00 13.90 C ATOM 0 H ILE A 44 -0.853 1.689 5.623 1.00 4.58 H new ATOM 0 HA ILE A 44 0.323 4.335 6.264 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.301 2.624 8.115 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.725 5.385 6.771 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.728 3.966 6.540 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.905 4.494 9.693 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.628 3.732 9.206 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.139 5.285 8.489 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.787 5.559 8.012 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.406 4.050 8.875 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.388 5.490 9.110 1.00 13.90 H new ATOM 718 N PHE A 45 2.483 2.999 7.100 1.00 6.75 N ATOM 719 CA PHE A 45 3.594 2.238 7.652 1.00 4.70 C ATOM 720 C PHE A 45 4.433 3.237 8.380 1.00 6.34 C ATOM 721 O PHE A 45 4.689 4.352 7.914 1.00 5.45 O ATOM 722 CB PHE A 45 4.397 1.573 6.499 1.00 5.51 C ATOM 723 CG PHE A 45 5.874 1.211 6.796 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.227 0.157 7.611 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.924 2.023 6.257 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.558 -0.157 7.863 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.255 1.721 6.477 1.00 6.64 C ATOM 728 CZ PHE A 45 8.524 0.695 7.375 1.00 6.84 C ATOM 0 H PHE A 45 2.730 3.934 6.775 1.00 6.75 H new ATOM 0 HA PHE A 45 3.264 1.438 8.315 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.877 0.662 6.204 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.378 2.244 5.640 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.450 -0.440 8.065 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.670 2.890 5.666 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.826 -1.041 8.423 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.047 2.256 5.975 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.543 0.559 7.707 1.00 6.84 H new ATOM 738 N ALA A 46 4.767 2.801 9.624 1.00 6.53 N ATOM 739 CA ALA A 46 5.558 3.561 10.604 1.00 7.15 C ATOM 740 C ALA A 46 4.985 4.856 11.186 1.00 9.00 C ATOM 741 O ALA A 46 5.694 5.795 11.561 1.00 11.15 O ATOM 742 CB ALA A 46 6.964 3.742 10.052 1.00 8.99 C ATOM 0 H ALA A 46 4.481 1.886 9.973 1.00 6.53 H new ATOM 0 HA ALA A 46 5.541 2.942 11.501 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.566 4.304 10.766 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.418 2.765 9.885 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.917 4.287 9.109 1.00 8.99 H new ATOM 748 N GLY A 47 3.651 4.902 11.396 1.00 9.35 N ATOM 749 CA GLY A 47 2.876 6.068 11.797 1.00 11.68 C ATOM 750 C GLY A 47 2.637 7.044 10.677 1.00 11.14 C ATOM 751 O GLY A 47 2.059 8.149 10.914 1.00 13.93 O ATOM 0 H GLY A 47 3.066 4.074 11.280 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.915 5.738 12.192 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.395 6.578 12.608 1.00 11.68 H new ATOM 755 N LYS A 48 3.076 6.709 9.473 1.00 10.47 N ATOM 756 CA LYS A 48 3.018 7.640 8.371 1.00 8.82 C ATOM 757 C LYS A 48 1.967 7.069 7.407 1.00 7.68 C ATOM 758 O LYS A 48 2.028 5.921 7.006 1.00 6.47 O ATOM 759 CB LYS A 48 4.380 7.770 7.674 1.00 9.74 C ATOM 760 CG LYS A 48 5.412 8.551 8.525 1.00 14.14 C ATOM 761 CD LYS A 48 6.812 8.573 7.854 1.00 16.32 C ATOM 762 CE LYS A 48 7.542 7.187 7.770 1.00 20.04 C ATOM 763 NZ LYS A 48 8.986 7.413 7.662 1.00 23.92 N ATOM 0 H LYS A 48 3.475 5.799 9.241 1.00 10.47 H new ATOM 0 HA LYS A 48 2.757 8.641 8.713 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.770 6.775 7.459 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.248 8.274 6.717 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.063 9.573 8.672 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.489 8.095 9.512 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.706 8.970 6.844 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.448 9.267 8.404 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.320 6.590 8.655 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.184 6.625 6.908 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.477 6.498 7.606 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.188 7.967 6.805 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.319 7.934 8.498 1.00 23.92 H new ATOM 777 N GLN A 49 1.077 7.953 6.985 1.00 8.89 N ATOM 778 CA GLN A 49 0.217 7.577 5.888 1.00 7.18 C ATOM 779 C GLN A 49 1.003 7.850 4.642 1.00 8.23 C ATOM 780 O GLN A 49 1.745 8.838 4.532 1.00 9.70 O ATOM 781 CB GLN A 49 -1.173 8.314 5.875 1.00 11.67 C ATOM 782 CG GLN A 49 -2.170 7.817 4.803 1.00 15.82 C ATOM 783 CD GLN A 49 -3.654 8.173 5.126 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.343 7.265 5.663 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.213 9.290 4.676 1.00 20.67 N ATOM 0 H GLN A 49 0.938 8.889 7.366 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.056 6.526 5.980 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.634 8.204 6.856 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.000 9.379 5.722 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.902 8.250 3.839 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.077 6.736 4.704 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.635 10.012 4.245 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.220 9.427 4.762 1.00 20.67 H new ATOM 794 N LEU A 50 0.840 6.961 3.606 1.00 6.51 N ATOM 795 CA LEU A 50 1.823 6.856 2.528 1.00 7.41 C ATOM 796 C LEU A 50 1.200 7.603 1.297 1.00 8.27 C ATOM 797 O LEU A 50 0.212 7.221 0.700 1.00 8.34 O ATOM 798 CB LEU A 50 2.096 5.403 2.107 1.00 7.13 C ATOM 799 CG LEU A 50 2.924 4.555 3.122 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.127 3.046 2.689 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.246 5.102 3.509 1.00 9.11 C ATOM 0 H LEU A 50 0.045 6.328 3.516 1.00 6.51 H new ATOM 0 HA LEU A 50 2.769 7.277 2.869 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.141 4.906 1.939 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.623 5.412 1.153 1.00 7.13 H new ATOM 0 HG LEU A 50 2.277 4.609 3.998 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.712 2.525 3.447 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.155 2.563 2.586 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.654 3.009 1.735 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.726 4.426 4.217 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.872 5.203 2.622 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.114 6.079 3.973 1.00 9.11 H new ATOM 813 N GLU A 51 1.845 8.765 0.966 1.00 9.43 N ATOM 814 CA GLU A 51 1.441 9.647 -0.164 1.00 11.90 C ATOM 815 C GLU A 51 1.588 8.923 -1.544 1.00 11.49 C ATOM 816 O GLU A 51 2.597 8.250 -1.742 1.00 9.88 O ATOM 817 CB GLU A 51 2.122 11.064 -0.145 1.00 16.56 C ATOM 818 CG GLU A 51 2.162 11.694 1.314 1.00 26.06 C ATOM 819 CD GLU A 51 2.834 13.058 1.480 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.943 13.203 0.874 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.314 13.987 2.097 1.00 32.13 O ATOM 0 H GLU A 51 2.657 9.111 1.477 1.00 9.43 H new ATOM 0 HA GLU A 51 0.380 9.851 -0.017 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.138 10.982 -0.531 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.581 11.734 -0.813 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.136 11.780 1.671 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.670 10.988 1.971 1.00 26.06 H new ATOM 828 N ASP A 52 0.557 9.078 -2.431 1.00 12.71 N ATOM 829 CA ASP A 52 0.405 8.410 -3.762 1.00 16.56 C ATOM 830 C ASP A 52 1.531 8.556 -4.734 1.00 15.83 C ATOM 831 O ASP A 52 1.969 7.665 -5.449 1.00 17.21 O ATOM 832 CB ASP A 52 -0.927 8.917 -4.399 1.00 21.05 C ATOM 833 CG ASP A 52 -2.139 8.455 -3.634 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.534 7.303 -3.863 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.579 9.205 -2.728 1.00 25.82 O ATOM 0 H ASP A 52 -0.225 9.700 -2.227 1.00 12.71 H new ATOM 0 HA ASP A 52 0.403 7.340 -3.554 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.917 10.006 -4.437 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.993 8.563 -5.428 1.00 21.05 H new ATOM 840 N GLY A 53 2.103 9.790 -4.780 1.00 15.00 N ATOM 841 CA GLY A 53 3.076 10.140 -5.842 1.00 11.77 C ATOM 842 C GLY A 53 4.514 9.934 -5.375 1.00 11.10 C ATOM 843 O GLY A 53 5.420 10.052 -6.210 1.00 11.25 O ATOM 0 H GLY A 53 1.912 10.537 -4.113 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.888 9.528 -6.725 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.934 11.179 -6.138 1.00 11.77 H new ATOM 847 N ARG A 54 4.687 9.546 -4.110 1.00 8.53 N ATOM 848 CA ARG A 54 5.998 9.222 -3.561 1.00 9.05 C ATOM 849 C ARG A 54 6.242 7.698 -3.940 1.00 8.96 C ATOM 850 O ARG A 54 5.338 7.034 -4.349 1.00 11.60 O ATOM 851 CB ARG A 54 6.000 9.318 -1.997 1.00 7.97 C ATOM 852 CG ARG A 54 5.688 10.690 -1.402 1.00 9.62 C ATOM 853 CD ARG A 54 6.793 11.772 -1.438 1.00 12.20 C ATOM 854 NE ARG A 54 6.183 12.991 -0.797 1.00 18.23 N ATOM 855 CZ ARG A 54 6.798 14.155 -0.491 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.082 14.427 -0.781 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.093 15.044 0.203 1.00 23.38 N ATOM 0 H ARG A 54 3.922 9.449 -3.442 1.00 8.53 H new ATOM 0 HA ARG A 54 6.752 9.906 -3.949 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.273 8.604 -1.610 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.979 9.003 -1.636 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.816 11.087 -1.921 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.400 10.543 -0.361 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.680 11.445 -0.895 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.105 11.981 -2.461 1.00 12.20 H new ATOM 0 HE ARG A 54 5.191 12.931 -0.567 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.654 13.733 -1.261 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.484 15.328 -0.521 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.134 14.831 0.479 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.511 15.938 0.459 1.00 23.38 H new ATOM 871 N THR A 55 7.459 7.149 -3.623 1.00 9.05 N ATOM 872 CA THR A 55 7.823 5.777 -3.915 1.00 9.03 C ATOM 873 C THR A 55 8.010 4.971 -2.710 1.00 8.15 C ATOM 874 O THR A 55 8.118 5.543 -1.646 1.00 5.91 O ATOM 875 CB THR A 55 8.989 5.617 -4.849 1.00 11.15 C ATOM 876 OG1 THR A 55 10.105 6.364 -4.358 1.00 11.95 O ATOM 877 CG2 THR A 55 8.607 6.091 -6.299 1.00 11.71 C ATOM 0 H THR A 55 8.198 7.674 -3.156 1.00 9.05 H new ATOM 0 HA THR A 55 6.956 5.393 -4.452 1.00 9.03 H new ATOM 0 HB THR A 55 9.259 4.562 -4.898 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.927 5.847 -4.487 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.465 5.967 -6.960 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.774 5.494 -6.669 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.317 7.141 -6.274 1.00 11.71 H new ATOM 885 N LEU A 56 8.147 3.628 -2.803 1.00 6.91 N ATOM 886 CA LEU A 56 8.731 2.789 -1.749 1.00 8.29 C ATOM 887 C LEU A 56 10.142 3.107 -1.459 1.00 8.05 C ATOM 888 O LEU A 56 10.468 3.224 -0.285 1.00 10.17 O ATOM 889 CB LEU A 56 8.596 1.269 -2.101 1.00 6.60 C ATOM 890 CG LEU A 56 7.154 0.822 -2.515 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.172 -0.444 -3.407 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.373 0.516 -1.256 1.00 8.64 C ATOM 0 H LEU A 56 7.850 3.098 -3.623 1.00 6.91 H new ATOM 0 HA LEU A 56 8.160 3.011 -0.847 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.282 1.036 -2.915 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.911 0.681 -1.239 1.00 6.60 H new ATOM 0 HG LEU A 56 6.696 1.629 -3.087 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.150 -0.718 -3.670 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.739 -0.241 -4.316 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.639 -1.265 -2.864 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.363 0.202 -1.521 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.869 -0.284 -0.706 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.323 1.409 -0.633 1.00 8.64 H new ATOM 904 N SER A 57 11.022 3.354 -2.384 1.00 8.92 N ATOM 905 CA SER A 57 12.382 3.826 -2.187 1.00 9.00 C ATOM 906 C SER A 57 12.516 5.175 -1.385 1.00 9.44 C ATOM 907 O SER A 57 13.347 5.322 -0.473 1.00 10.91 O ATOM 908 CB SER A 57 13.098 4.077 -3.530 1.00 10.32 C ATOM 909 OG SER A 57 12.261 4.706 -4.489 1.00 13.59 O ATOM 0 H SER A 57 10.803 3.225 -3.372 1.00 8.92 H new ATOM 0 HA SER A 57 12.832 3.019 -1.609 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.977 4.698 -3.358 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.453 3.127 -3.931 1.00 10.32 H new ATOM 0 HG SER A 57 12.762 4.844 -5.320 1.00 13.59 H new ATOM 915 N ASP A 58 11.631 6.183 -1.596 1.00 9.11 N ATOM 916 CA ASP A 58 11.608 7.512 -0.985 1.00 7.91 C ATOM 917 C ASP A 58 11.414 7.338 0.543 1.00 9.12 C ATOM 918 O ASP A 58 12.144 7.919 1.289 1.00 8.61 O ATOM 919 CB ASP A 58 10.586 8.408 -1.703 1.00 8.41 C ATOM 920 CG ASP A 58 10.821 9.808 -1.210 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.832 10.456 -1.623 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.098 10.337 -0.394 1.00 10.05 O ATOM 0 H ASP A 58 10.859 6.065 -2.252 1.00 9.11 H new ATOM 0 HA ASP A 58 12.551 8.045 -1.108 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.713 8.351 -2.784 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.568 8.086 -1.485 1.00 8.41 H new ATOM 927 N TYR A 59 10.518 6.420 0.964 1.00 7.97 N ATOM 928 CA TYR A 59 10.269 6.076 2.422 1.00 8.45 C ATOM 929 C TYR A 59 11.262 5.118 3.046 1.00 10.98 C ATOM 930 O TYR A 59 11.224 4.901 4.270 1.00 12.95 O ATOM 931 CB TYR A 59 8.777 5.612 2.622 1.00 7.94 C ATOM 932 CG TYR A 59 7.785 6.679 2.549 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.538 7.455 3.685 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.913 6.745 1.443 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.404 8.296 3.820 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.841 7.688 1.476 1.00 6.52 C ATOM 937 CZ TYR A 59 5.617 8.427 2.639 1.00 6.76 C ATOM 938 OH TYR A 59 4.547 9.366 2.681 1.00 7.63 O ATOM 0 H TYR A 59 9.936 5.884 0.320 1.00 7.97 H new ATOM 0 HA TYR A 59 10.437 6.999 2.977 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.540 4.864 1.865 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.691 5.122 3.592 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.245 7.412 4.500 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.053 6.097 0.590 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.157 8.797 4.744 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.210 7.828 0.610 1.00 6.52 H new ATOM 0 HH TYR A 59 4.595 9.952 1.897 1.00 7.63 H new ATOM 948 N ASN A 60 12.170 4.520 2.187 1.00 12.38 N ATOM 949 CA ASN A 60 13.165 3.563 2.593 1.00 13.94 C ATOM 950 C ASN A 60 12.634 2.243 3.087 1.00 14.16 C ATOM 951 O ASN A 60 13.132 1.740 4.085 1.00 14.26 O ATOM 952 CB ASN A 60 14.146 4.200 3.577 1.00 19.23 C ATOM 953 CG ASN A 60 14.826 5.404 3.002 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.402 5.370 1.919 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.875 6.582 3.711 1.00 24.09 N ATOM 0 H ASN A 60 12.194 4.723 1.188 1.00 12.38 H new ATOM 0 HA ASN A 60 13.697 3.291 1.681 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.614 4.485 4.484 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.897 3.464 3.866 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.377 7.385 3.332 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.409 6.652 4.616 1.00 24.09 H new ATOM 962 N ILE A 61 11.593 1.678 2.388 1.00 11.08 N ATOM 963 CA ILE A 61 10.932 0.471 2.855 1.00 11.78 C ATOM 964 C ILE A 61 11.826 -0.700 2.526 1.00 13.74 C ATOM 965 O ILE A 61 12.440 -0.800 1.456 1.00 14.60 O ATOM 966 CB ILE A 61 9.490 0.429 2.284 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.790 1.748 2.498 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.704 -0.807 2.769 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.297 1.756 2.145 1.00 11.42 C ATOM 0 H ILE A 61 11.220 2.054 1.516 1.00 11.08 H new ATOM 0 HA ILE A 61 10.792 0.438 3.935 1.00 11.78 H new ATOM 0 HB ILE A 61 9.548 0.297 1.204 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.902 2.036 3.543 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.293 2.510 1.902 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.701 -0.791 2.342 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.219 -1.713 2.451 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.636 -0.791 3.857 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.884 2.747 2.333 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.171 1.504 1.092 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.774 1.023 2.759 1.00 11.42 H new ATOM 981 N GLN A 62 12.051 -1.588 3.514 1.00 13.97 N ATOM 982 CA GLN A 62 12.983 -2.730 3.429 1.00 15.52 C ATOM 983 C GLN A 62 12.199 -4.011 3.031 1.00 13.94 C ATOM 984 O GLN A 62 10.968 -4.121 3.062 1.00 12.15 O ATOM 985 CB GLN A 62 13.763 -2.865 4.754 1.00 19.53 C ATOM 986 CG GLN A 62 14.443 -1.581 5.205 1.00 26.38 C ATOM 987 CD GLN A 62 15.646 -1.192 4.274 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.636 -1.879 4.226 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.511 -0.006 3.588 1.00 32.71 N ATOM 0 H GLN A 62 11.578 -1.530 4.416 1.00 13.97 H new ATOM 0 HA GLN A 62 13.727 -2.566 2.650 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.078 -3.195 5.535 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.517 -3.644 4.642 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.715 -0.770 5.214 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.800 -1.700 6.228 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.649 0.534 3.667 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.273 0.333 3.001 1.00 32.71 H new ATOM 998 N LYS A 63 12.976 -5.058 2.624 1.00 11.73 N ATOM 999 CA LYS A 63 12.303 -6.239 2.197 1.00 11.97 C ATOM 1000 C LYS A 63 11.520 -6.944 3.246 1.00 10.41 C ATOM 1001 O LYS A 63 11.934 -6.937 4.398 1.00 9.59 O ATOM 1002 CB LYS A 63 13.214 -7.250 1.536 1.00 13.73 C ATOM 1003 CG LYS A 63 14.428 -7.762 2.340 1.00 16.98 C ATOM 1004 CD LYS A 63 15.195 -8.880 1.568 1.00 20.19 C ATOM 1005 CE LYS A 63 16.339 -9.494 2.338 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.176 -8.453 2.913 1.00 25.97 N ATOM 0 H LYS A 63 13.995 -5.078 2.595 1.00 11.73 H new ATOM 0 HA LYS A 63 11.600 -5.837 1.468 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.609 -8.113 1.257 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.587 -6.810 0.611 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.104 -6.933 2.548 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.092 -8.148 3.302 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.491 -9.667 1.297 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.581 -8.464 0.638 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.951 -10.136 3.129 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.934 -10.125 1.678 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.061 -8.873 3.263 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.394 -7.742 2.186 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.673 -7.999 3.702 1.00 25.97 H new ATOM 1020 N GLU A 64 10.359 -7.467 2.932 1.00 10.04 N ATOM 1021 CA GLU A 64 9.420 -8.130 3.778 1.00 10.94 C ATOM 1022 C GLU A 64 8.638 -7.189 4.652 1.00 9.74 C ATOM 1023 O GLU A 64 8.049 -7.671 5.656 1.00 9.42 O ATOM 1024 CB GLU A 64 9.940 -9.302 4.601 1.00 18.31 C ATOM 1025 CG GLU A 64 10.720 -10.345 3.705 1.00 24.16 C ATOM 1026 CD GLU A 64 11.403 -11.449 4.544 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.147 -11.075 5.525 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.234 -12.636 4.229 1.00 32.61 O ATOM 0 H GLU A 64 10.021 -7.429 1.970 1.00 10.04 H new ATOM 0 HA GLU A 64 8.753 -8.577 3.041 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.599 -8.931 5.386 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.105 -9.799 5.095 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.027 -10.805 3.000 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.473 -9.822 3.116 1.00 24.16 H new ATOM 1035 N SER A 65 8.644 -5.903 4.409 1.00 6.85 N ATOM 1036 CA SER A 65 7.933 -4.922 5.296 1.00 6.90 C ATOM 1037 C SER A 65 6.457 -5.010 5.096 1.00 4.72 C ATOM 1038 O SER A 65 6.050 -5.283 3.919 1.00 3.91 O ATOM 1039 CB SER A 65 8.538 -3.459 5.112 1.00 7.28 C ATOM 1040 OG SER A 65 8.293 -2.650 6.283 1.00 10.56 O ATOM 0 H SER A 65 9.123 -5.479 3.615 1.00 6.85 H new ATOM 0 HA SER A 65 8.102 -5.178 6.342 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.610 -3.525 4.928 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.093 -2.984 4.237 1.00 7.28 H new ATOM 0 HG SER A 65 7.974 -1.765 6.008 1.00 10.56 H new ATOM 1046 N THR A 66 5.680 -4.781 6.146 1.00 4.48 N ATOM 1047 CA THR A 66 4.228 -4.836 6.184 1.00 3.80 C ATOM 1048 C THR A 66 3.645 -3.484 6.104 1.00 4.60 C ATOM 1049 O THR A 66 3.869 -2.664 7.002 1.00 5.33 O ATOM 1050 CB THR A 66 3.695 -5.518 7.381 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.109 -6.903 7.378 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.177 -5.638 7.246 1.00 3.40 C ATOM 0 H THR A 66 6.076 -4.536 7.054 1.00 4.48 H new ATOM 0 HA THR A 66 3.938 -5.424 5.313 1.00 3.80 H new ATOM 0 HB THR A 66 4.031 -4.960 8.255 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.755 -7.352 8.174 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.772 -6.140 8.125 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.739 -4.643 7.163 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.936 -6.216 6.354 1.00 3.40 H new ATOM 1060 N LEU A 67 2.800 -3.144 5.154 1.00 4.17 N ATOM 1061 CA LEU A 67 2.115 -1.864 5.158 1.00 3.85 C ATOM 1062 C LEU A 67 0.612 -2.101 5.620 1.00 3.80 C ATOM 1063 O LEU A 67 0.103 -3.174 5.392 1.00 5.54 O ATOM 1064 CB LEU A 67 2.119 -1.233 3.816 1.00 7.18 C ATOM 1065 CG LEU A 67 3.377 -1.430 3.010 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.266 -0.913 1.529 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.667 -0.895 3.664 1.00 11.66 C ATOM 0 H LEU A 67 2.568 -3.741 4.361 1.00 4.17 H new ATOM 0 HA LEU A 67 2.636 -1.194 5.841 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.278 -1.627 3.246 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.949 -0.163 3.936 1.00 7.18 H new ATOM 0 HG LEU A 67 3.470 -2.516 2.987 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.209 -1.088 1.011 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.466 -1.447 1.016 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.047 0.155 1.532 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.515 -1.085 3.006 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.572 0.178 3.832 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.828 -1.399 4.617 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.013 -1.153 6.268 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.282 -1.344 6.869 1.00 4.17 C ATOM 1081 C HIS A 68 -2.443 -0.741 6.035 1.00 5.32 C ATOM 1082 O HIS A 68 -2.588 0.506 5.957 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.318 -0.688 8.298 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.273 -1.290 9.193 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.910 -0.690 9.463 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.218 -2.452 9.788 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.633 -1.509 10.213 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.963 -2.588 10.463 1.00 16.30 N ATOM 0 H HIS A 68 0.364 -0.213 6.388 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.425 -2.423 6.930 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.154 0.386 8.213 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.304 -0.826 8.741 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.196 0.235 9.143 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.996 -3.200 9.752 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.634 -1.306 10.564 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.273 -1.536 5.337 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.361 -1.066 4.477 1.00 3.97 C ATOM 1098 C LEU A 69 -5.592 -0.664 5.193 1.00 5.07 C ATOM 1099 O LEU A 69 -6.017 -1.382 6.111 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.611 -2.172 3.321 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.796 -1.943 2.374 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.670 -0.717 1.424 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.097 -3.218 1.528 1.00 9.96 C ATOM 0 H LEU A 69 -3.199 -2.553 5.360 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.049 -0.127 4.019 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.706 -2.241 2.718 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.747 -3.140 3.804 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.624 -1.718 3.046 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.560 -0.648 0.799 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.571 0.193 2.016 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.791 -0.836 0.791 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.942 -3.025 0.867 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.221 -3.475 0.932 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.339 -4.047 2.193 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.109 0.525 4.812 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.212 1.192 5.394 1.00 6.26 C ATOM 1117 C VAL A 70 -8.177 1.573 4.318 1.00 9.22 C ATOM 1118 O VAL A 70 -7.806 2.397 3.449 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.809 2.420 6.187 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.948 3.321 6.687 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.833 2.140 7.328 1.00 8.54 C ATOM 0 H VAL A 70 -5.713 1.050 4.032 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.676 0.504 6.100 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.292 2.991 5.416 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.530 4.163 7.239 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.519 3.692 5.836 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.605 2.748 7.342 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.598 3.072 7.842 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.286 1.442 8.031 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.917 1.707 6.926 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.424 1.095 4.425 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.425 1.342 3.395 1.00 16.06 C ATOM 1133 C LEU A 71 -11.215 2.648 3.635 1.00 18.09 C ATOM 1134 O LEU A 71 -11.872 2.897 4.686 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.415 0.201 3.216 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.803 -1.197 2.906 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.973 -2.187 2.575 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.797 -1.152 1.794 1.00 19.57 C ATOM 0 H LEU A 71 -9.756 0.539 5.213 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.841 1.433 2.479 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.012 0.120 4.124 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.098 0.463 2.408 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.257 -1.542 3.784 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.564 -3.173 2.355 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.645 -2.256 3.431 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.525 -1.821 1.709 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.402 -2.153 1.620 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.275 -0.787 0.885 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.981 -0.483 2.068 1.00 19.57 H new