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 25 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.2) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00497) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0.714 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 140:sc= 0.64 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0365 USER MOD Set 3.2: A 9 THR OG1 : rot -10:sc= 0.0338 USER MOD Single : A 1 MET CE :methyl 177:sc= -0.147 (180deg=-0.257) USER MOD Single : A 1 MET N :NH3+ -155:sc= 2.3 (180deg=2.04) USER MOD Single : A 2 GLN : amide:sc= -0.0331 X(o=-0.033,f=0.072) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0.849) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00381 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000907 USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= 2.9 (180deg=1.79) USER MOD Single : A 31 GLN : amide:sc= -0.293 K(o=-0.29,f=-0.94) USER MOD Single : A 33 LYS NZ :NH3+ -123:sc= 0.0832 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 41 GLN : amide:sc= 0.902 K(o=0.9,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.714 X(o=-0.71,f=-0.82) USER MOD Single : A 55 THR OG1 : rot -36:sc= 1.34 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.311 USER MOD Single : A 60 ASN : amide:sc= -0.0344 X(o=-0.034,f=-0.018) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.06) USER MOD Single : A 65 SER OG : rot 97:sc= 0.706 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 11.109 -7.373 -5.174 1.00 9.67 N ATOM 2 CA MET A 1 11.107 -7.199 -3.698 1.00 10.38 C ATOM 3 C MET A 1 9.832 -7.562 -2.968 1.00 9.62 C ATOM 4 O MET A 1 8.771 -7.064 -3.306 1.00 9.62 O ATOM 5 CB MET A 1 11.576 -5.760 -3.344 1.00 13.77 C ATOM 6 CG MET A 1 11.904 -5.558 -1.887 1.00 16.29 C ATOM 7 SD MET A 1 12.473 -3.906 -1.508 1.00 17.17 S ATOM 8 CE MET A 1 10.841 -3.315 -0.951 1.00 16.11 C ATOM 0 H1 MET A 1 12.085 -7.510 -5.506 1.00 9.67 H new ATOM 0 H2 MET A 1 10.537 -8.204 -5.426 1.00 9.67 H new ATOM 0 H3 MET A 1 10.706 -6.526 -5.624 1.00 9.67 H new ATOM 0 HA MET A 1 11.812 -7.943 -3.328 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.457 -5.520 -3.940 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.796 -5.055 -3.630 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.018 -5.775 -1.290 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.671 -6.275 -1.592 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.928 -2.288 -0.596 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.137 -3.354 -1.782 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.481 -3.949 -0.141 1.00 16.11 H new ATOM 20 N GLN A 2 9.883 -8.371 -1.882 1.00 9.27 N ATOM 21 CA GLN A 2 8.682 -8.907 -1.290 1.00 9.07 C ATOM 22 C GLN A 2 8.157 -8.040 -0.161 1.00 8.72 C ATOM 23 O GLN A 2 8.900 -7.627 0.744 1.00 8.22 O ATOM 24 CB GLN A 2 8.906 -10.352 -0.749 1.00 14.46 C ATOM 25 CG GLN A 2 7.738 -10.982 0.037 1.00 17.01 C ATOM 26 CD GLN A 2 7.912 -12.530 0.096 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.954 -13.109 1.194 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.872 -13.255 -1.011 1.00 19.49 N ATOM 0 H GLN A 2 10.747 -8.652 -1.418 1.00 9.27 H new ATOM 0 HA GLN A 2 7.941 -8.926 -2.090 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.137 -11.000 -1.594 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.785 -10.342 -0.104 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.705 -10.572 1.047 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.790 -10.732 -0.440 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.837 -12.795 -1.921 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.876 -14.273 -0.954 1.00 19.49 H new ATOM 37 N ILE A 3 6.879 -7.619 -0.186 1.00 5.87 N ATOM 38 CA ILE A 3 6.296 -6.846 0.886 1.00 5.07 C ATOM 39 C ILE A 3 5.007 -7.435 1.295 1.00 4.01 C ATOM 40 O ILE A 3 4.254 -8.044 0.541 1.00 4.61 O ATOM 41 CB ILE A 3 6.057 -5.344 0.592 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.041 -5.151 -0.592 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.328 -4.555 0.413 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.564 -3.714 -0.692 1.00 10.83 C ATOM 0 H ILE A 3 6.237 -7.813 -0.955 1.00 5.87 H new ATOM 0 HA ILE A 3 7.048 -6.888 1.674 1.00 5.07 H new ATOM 0 HB ILE A 3 5.597 -4.921 1.485 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.514 -5.444 -1.529 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.185 -5.810 -0.448 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.083 -3.512 0.210 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.926 -4.617 1.322 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.895 -4.964 -0.423 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.863 -3.620 -1.522 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.068 -3.430 0.236 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.418 -3.058 -0.862 1.00 10.83 H new ATOM 56 N PHE A 4 4.666 -7.290 2.581 1.00 4.55 N ATOM 57 CA PHE A 4 3.403 -7.815 3.146 1.00 4.68 C ATOM 58 C PHE A 4 2.402 -6.726 3.408 1.00 5.30 C ATOM 59 O PHE A 4 2.683 -5.645 3.874 1.00 5.58 O ATOM 60 CB PHE A 4 3.539 -8.596 4.438 1.00 4.83 C ATOM 61 CG PHE A 4 4.561 -9.696 4.298 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.485 -10.602 3.232 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.706 -9.739 5.151 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.473 -11.551 3.058 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.704 -10.695 4.978 1.00 10.61 C ATOM 66 CZ PHE A 4 6.586 -11.613 3.922 1.00 8.90 C ATOM 0 H PHE A 4 5.251 -6.808 3.263 1.00 4.55 H new ATOM 0 HA PHE A 4 3.068 -8.498 2.365 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.831 -7.924 5.245 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.574 -9.023 4.712 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.653 -10.558 2.545 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.800 -9.015 5.947 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.392 -12.258 2.246 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.553 -10.730 5.644 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.346 -12.365 3.772 1.00 8.90 H new ATOM 76 N VAL A 5 1.118 -6.952 2.960 1.00 4.44 N ATOM 77 CA VAL A 5 0.133 -5.893 3.021 1.00 3.87 C ATOM 78 C VAL A 5 -1.001 -6.434 3.880 1.00 4.93 C ATOM 79 O VAL A 5 -1.426 -7.577 3.699 1.00 6.84 O ATOM 80 CB VAL A 5 -0.327 -5.480 1.680 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.439 -4.395 1.775 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.855 -5.006 0.876 1.00 9.13 C ATOM 0 H VAL A 5 0.783 -7.834 2.573 1.00 4.44 H new ATOM 0 HA VAL A 5 0.555 -4.986 3.454 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.773 -6.335 1.172 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.757 -4.111 0.772 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.290 -4.794 2.326 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.049 -3.519 2.293 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.521 -4.700 -0.115 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.322 -4.159 1.380 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.579 -5.816 0.781 1.00 9.13 H new ATOM 92 N LYS A 6 -1.440 -5.707 4.926 1.00 6.04 N ATOM 93 CA LYS A 6 -2.258 -6.243 6.055 1.00 6.12 C ATOM 94 C LYS A 6 -3.574 -5.529 6.072 1.00 6.57 C ATOM 95 O LYS A 6 -3.572 -4.267 6.192 1.00 5.76 O ATOM 96 CB LYS A 6 -1.578 -6.046 7.502 1.00 7.45 C ATOM 97 CG LYS A 6 -0.547 -7.138 7.918 1.00 11.12 C ATOM 98 CD LYS A 6 -1.237 -8.383 8.457 1.00 14.54 C ATOM 99 CE LYS A 6 -0.380 -9.424 9.289 1.00 18.84 C ATOM 100 NZ LYS A 6 0.615 -10.095 8.500 1.00 20.55 N ATOM 0 H LYS A 6 -1.238 -4.712 5.021 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.360 -7.315 5.883 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.080 -5.077 7.520 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.368 -6.013 8.253 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.068 -7.405 7.058 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.124 -6.736 8.677 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.064 -8.057 9.087 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.672 -8.914 7.610 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.108 -8.906 10.114 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.047 -10.166 9.728 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.142 -10.762 9.100 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.153 -10.615 7.727 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.272 -9.395 8.101 1.00 20.55 H new ATOM 114 N THR A 7 -4.665 -6.318 5.878 1.00 7.41 N ATOM 115 CA THR A 7 -5.975 -5.690 5.705 1.00 7.48 C ATOM 116 C THR A 7 -6.591 -5.566 7.047 1.00 8.75 C ATOM 117 O THR A 7 -6.187 -6.113 8.031 1.00 8.58 O ATOM 118 CB THR A 7 -6.989 -6.286 4.657 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.647 -7.457 5.054 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.095 -6.615 3.441 1.00 9.17 C ATOM 0 H THR A 7 -4.656 -7.337 5.841 1.00 7.41 H new ATOM 0 HA THR A 7 -5.758 -4.733 5.231 1.00 7.48 H new ATOM 0 HB THR A 7 -7.793 -5.570 4.485 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.254 -7.749 4.342 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.706 -7.040 2.645 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.616 -5.703 3.084 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.331 -7.334 3.735 1.00 9.17 H new ATOM 128 N LEU A 8 -7.742 -4.840 7.083 1.00 9.84 N ATOM 129 CA LEU A 8 -8.571 -4.550 8.266 1.00 14.15 C ATOM 130 C LEU A 8 -9.036 -5.842 8.956 1.00 17.37 C ATOM 131 O LEU A 8 -9.009 -5.977 10.213 1.00 17.01 O ATOM 132 CB LEU A 8 -9.844 -3.801 7.810 1.00 16.63 C ATOM 133 CG LEU A 8 -9.525 -2.383 7.324 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.814 -1.764 6.729 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.095 -1.484 8.481 1.00 18.59 C ATOM 0 H LEU A 8 -8.129 -4.423 6.237 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.970 -3.960 8.958 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.328 -4.360 7.009 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.553 -3.751 8.637 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.720 -2.450 6.592 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.604 -0.754 6.378 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.159 -2.374 5.894 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.588 -1.728 7.496 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.876 -0.485 8.104 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.899 -1.426 9.215 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.203 -1.898 8.951 1.00 18.59 H new ATOM 147 N THR A 9 -9.374 -6.865 8.140 1.00 18.33 N ATOM 148 CA THR A 9 -9.796 -8.188 8.596 1.00 19.24 C ATOM 149 C THR A 9 -8.604 -9.115 8.926 1.00 19.48 C ATOM 150 O THR A 9 -8.788 -10.212 9.392 1.00 23.14 O ATOM 151 CB THR A 9 -10.683 -8.922 7.615 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.088 -9.088 6.311 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.984 -8.142 7.328 1.00 19.70 C ATOM 0 H THR A 9 -9.357 -6.781 7.124 1.00 18.33 H new ATOM 0 HA THR A 9 -10.368 -7.971 9.498 1.00 19.24 H new ATOM 0 HB THR A 9 -10.854 -9.883 8.099 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.271 -8.550 6.254 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.595 -8.701 6.619 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.539 -8.006 8.256 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.738 -7.168 6.906 1.00 19.70 H new ATOM 161 N GLY A 10 -7.384 -8.646 8.778 1.00 19.43 N ATOM 162 CA GLY A 10 -6.208 -9.358 9.335 1.00 18.74 C ATOM 163 C GLY A 10 -5.714 -10.250 8.239 1.00 17.62 C ATOM 164 O GLY A 10 -4.709 -10.949 8.463 1.00 19.74 O ATOM 0 H GLY A 10 -7.160 -7.782 8.283 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.435 -8.654 9.644 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.483 -9.937 10.216 1.00 18.74 H new ATOM 168 N LYS A 11 -6.299 -10.235 7.059 1.00 13.56 N ATOM 169 CA LYS A 11 -5.872 -11.026 5.921 1.00 11.91 C ATOM 170 C LYS A 11 -4.512 -10.492 5.410 1.00 10.18 C ATOM 171 O LYS A 11 -4.334 -9.255 5.398 1.00 9.10 O ATOM 172 CB LYS A 11 -6.939 -10.998 4.764 1.00 13.43 C ATOM 173 CG LYS A 11 -6.642 -11.730 3.448 1.00 16.69 C ATOM 174 CD LYS A 11 -7.834 -11.549 2.530 1.00 17.92 C ATOM 175 CE LYS A 11 -7.632 -12.462 1.322 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.755 -12.382 0.337 1.00 21.93 N ATOM 0 H LYS A 11 -7.112 -9.653 6.858 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.765 -12.062 6.241 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.866 -11.408 5.164 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.131 -9.953 4.521 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.740 -11.329 2.985 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.462 -12.789 3.634 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.759 -11.801 3.049 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.919 -10.509 2.214 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.699 -12.196 0.824 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.529 -13.492 1.664 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.465 -12.827 -0.557 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.586 -12.878 0.717 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.996 -11.385 0.165 1.00 21.93 H new ATOM 190 N THR A 12 -3.573 -11.290 4.893 1.00 9.63 N ATOM 191 CA THR A 12 -2.256 -10.726 4.455 1.00 9.85 C ATOM 192 C THR A 12 -2.021 -11.046 3.052 1.00 11.66 C ATOM 193 O THR A 12 -2.140 -12.236 2.698 1.00 12.33 O ATOM 194 CB THR A 12 -1.056 -11.247 5.241 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.272 -11.275 6.602 1.00 10.91 O ATOM 196 CG2 THR A 12 0.173 -10.298 5.012 1.00 9.63 C ATOM 0 H THR A 12 -3.676 -12.296 4.763 1.00 9.63 H new ATOM 0 HA THR A 12 -2.334 -9.653 4.632 1.00 9.85 H new ATOM 0 HB THR A 12 -0.881 -12.262 4.883 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.883 -12.092 6.978 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.030 -10.670 5.574 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.419 -10.271 3.950 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.075 -9.293 5.353 1.00 9.63 H new ATOM 204 N ILE A 13 -1.687 -9.998 2.257 1.00 10.42 N ATOM 205 CA ILE A 13 -1.511 -10.056 0.808 1.00 11.84 C ATOM 206 C ILE A 13 0.018 -9.902 0.675 1.00 10.55 C ATOM 207 O ILE A 13 0.748 -9.069 1.163 1.00 11.92 O ATOM 208 CB ILE A 13 -2.123 -8.899 0.019 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.603 -8.729 0.331 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.827 -8.960 -1.462 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.164 -7.362 0.005 1.00 16.46 C ATOM 0 H ILE A 13 -1.530 -9.063 2.633 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.984 -10.957 0.417 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.625 -7.992 0.361 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.166 -9.480 -0.224 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.763 -8.929 1.391 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.291 -8.109 -1.961 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.749 -8.929 -1.619 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.227 -9.886 -1.875 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.223 -7.333 0.260 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.632 -6.604 0.579 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.042 -7.163 -1.060 1.00 16.46 H new ATOM 223 N THR A 14 0.610 -10.853 0.003 1.00 9.39 N ATOM 224 CA THR A 14 2.012 -10.821 -0.371 1.00 9.63 C ATOM 225 C THR A 14 2.232 -10.226 -1.743 1.00 11.20 C ATOM 226 O THR A 14 1.628 -10.674 -2.724 1.00 11.63 O ATOM 227 CB THR A 14 2.621 -12.214 -0.349 1.00 10.38 C ATOM 228 OG1 THR A 14 2.473 -12.841 0.935 1.00 16.30 O ATOM 229 CG2 THR A 14 4.135 -12.103 -0.726 1.00 11.66 C ATOM 0 H THR A 14 0.126 -11.694 -0.310 1.00 9.39 H new ATOM 0 HA THR A 14 2.501 -10.187 0.369 1.00 9.63 H new ATOM 0 HB THR A 14 2.095 -12.838 -1.072 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.874 -13.735 0.911 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.586 -13.095 -0.715 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.231 -11.672 -1.723 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.644 -11.464 -0.004 1.00 11.66 H new ATOM 237 N LEU A 15 3.040 -9.153 -1.939 1.00 8.29 N ATOM 238 CA LEU A 15 3.294 -8.457 -3.175 1.00 9.03 C ATOM 239 C LEU A 15 4.755 -8.704 -3.520 1.00 8.59 C ATOM 240 O LEU A 15 5.616 -9.094 -2.673 1.00 7.79 O ATOM 241 CB LEU A 15 2.892 -6.951 -3.217 1.00 11.08 C ATOM 242 CG LEU A 15 1.392 -6.589 -2.852 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.321 -5.077 -2.777 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.418 -7.134 -3.844 1.00 15.27 C ATOM 0 H LEU A 15 3.558 -8.740 -1.163 1.00 8.29 H new ATOM 0 HA LEU A 15 2.629 -8.862 -3.938 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.546 -6.408 -2.534 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.095 -6.575 -4.220 1.00 11.08 H new ATOM 0 HG LEU A 15 1.114 -7.044 -1.901 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.305 -4.772 -2.527 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.006 -4.718 -2.009 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.601 -4.651 -3.741 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.595 -6.859 -3.549 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.633 -6.722 -4.830 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.503 -8.220 -3.879 1.00 15.27 H new ATOM 256 N GLU A 16 4.977 -8.507 -4.827 1.00 11.04 N ATOM 257 CA GLU A 16 6.340 -8.323 -5.345 1.00 11.50 C ATOM 258 C GLU A 16 6.429 -6.937 -5.960 1.00 10.13 C ATOM 259 O GLU A 16 5.515 -6.625 -6.773 1.00 9.83 O ATOM 260 CB GLU A 16 6.658 -9.359 -6.485 1.00 17.22 C ATOM 261 CG GLU A 16 8.198 -9.412 -6.855 1.00 23.33 C ATOM 262 CD GLU A 16 9.063 -10.142 -5.815 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.514 -11.076 -5.175 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.253 -9.795 -5.604 1.00 28.86 O ATOM 0 H GLU A 16 4.244 -8.471 -5.535 1.00 11.04 H new ATOM 0 HA GLU A 16 7.044 -8.459 -4.524 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.330 -10.350 -6.171 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.084 -9.101 -7.375 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.313 -9.906 -7.820 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.569 -8.394 -6.972 1.00 23.33 H new ATOM 271 N VAL A 17 7.378 -6.078 -5.505 1.00 8.99 N ATOM 272 CA VAL A 17 7.457 -4.645 -5.846 1.00 8.85 C ATOM 273 C VAL A 17 8.868 -4.276 -6.239 1.00 8.04 C ATOM 274 O VAL A 17 9.851 -5.082 -6.189 1.00 8.99 O ATOM 275 CB VAL A 17 7.029 -3.728 -4.741 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.466 -3.777 -4.569 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.739 -4.060 -3.499 1.00 10.54 C ATOM 0 H VAL A 17 8.124 -6.376 -4.876 1.00 8.99 H new ATOM 0 HA VAL A 17 6.761 -4.510 -6.674 1.00 8.85 H new ATOM 0 HB VAL A 17 7.294 -2.702 -4.998 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.167 -3.107 -3.763 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.988 -3.464 -5.497 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.158 -4.794 -4.327 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.418 -3.386 -2.705 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.514 -5.088 -3.215 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.813 -3.953 -3.654 1.00 10.54 H new ATOM 287 N GLU A 18 8.964 -3.039 -6.778 1.00 7.29 N ATOM 288 CA GLU A 18 10.226 -2.391 -6.935 1.00 7.08 C ATOM 289 C GLU A 18 10.373 -1.305 -5.853 1.00 6.45 C ATOM 290 O GLU A 18 9.386 -0.785 -5.377 1.00 5.28 O ATOM 291 CB GLU A 18 10.472 -1.875 -8.320 1.00 10.28 C ATOM 292 CG GLU A 18 10.669 -2.827 -9.553 1.00 12.65 C ATOM 293 CD GLU A 18 11.809 -3.818 -9.432 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.974 -3.390 -9.556 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.620 -5.017 -9.300 1.00 18.17 O ATOM 0 H GLU A 18 8.165 -2.494 -7.103 1.00 7.29 H new ATOM 0 HA GLU A 18 11.008 -3.137 -6.795 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.635 -1.221 -8.562 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.362 -1.247 -8.265 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.744 -3.381 -9.715 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.834 -2.216 -10.440 1.00 12.65 H new ATOM 302 N PRO A 19 11.600 -0.878 -5.543 1.00 7.24 N ATOM 303 CA PRO A 19 11.832 0.300 -4.707 1.00 7.07 C ATOM 304 C PRO A 19 11.306 1.628 -5.203 1.00 6.65 C ATOM 305 O PRO A 19 11.213 2.607 -4.436 1.00 6.37 O ATOM 306 CB PRO A 19 13.363 0.348 -4.517 1.00 7.61 C ATOM 307 CG PRO A 19 13.790 -1.141 -4.679 1.00 8.16 C ATOM 308 CD PRO A 19 12.852 -1.669 -5.706 1.00 7.49 C ATOM 0 HA PRO A 19 11.258 0.177 -3.789 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.841 0.987 -5.260 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.635 0.740 -3.537 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.827 -1.227 -5.003 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.703 -1.687 -3.739 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.262 -1.553 -6.709 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.666 -2.733 -5.559 1.00 7.49 H new ATOM 316 N SER A 20 11.189 1.809 -6.575 1.00 6.80 N ATOM 317 CA SER A 20 10.889 3.070 -7.168 1.00 6.28 C ATOM 318 C SER A 20 9.476 3.020 -7.573 1.00 8.45 C ATOM 319 O SER A 20 8.966 3.860 -8.308 1.00 7.26 O ATOM 320 CB SER A 20 11.716 3.210 -8.455 1.00 8.57 C ATOM 321 OG SER A 20 11.637 2.129 -9.322 1.00 11.13 O ATOM 0 H SER A 20 11.309 1.055 -7.251 1.00 6.80 H new ATOM 0 HA SER A 20 11.099 3.888 -6.479 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.389 4.105 -8.984 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.760 3.363 -8.183 1.00 8.57 H new ATOM 0 HG SER A 20 12.190 2.302 -10.112 1.00 11.13 H new ATOM 327 N ASP A 21 8.669 2.052 -7.043 1.00 7.50 N ATOM 328 CA ASP A 21 7.234 2.012 -7.395 1.00 7.70 C ATOM 329 C ASP A 21 6.456 3.070 -6.539 1.00 7.08 C ATOM 330 O ASP A 21 6.784 3.295 -5.336 1.00 8.11 O ATOM 331 CB ASP A 21 6.707 0.606 -7.139 1.00 11.00 C ATOM 332 CG ASP A 21 7.012 -0.428 -8.213 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.409 -0.022 -9.345 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.731 -1.618 -7.983 1.00 14.36 O ATOM 0 H ASP A 21 8.979 1.324 -6.400 1.00 7.50 H new ATOM 0 HA ASP A 21 7.092 2.256 -8.448 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.119 0.252 -6.194 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.626 0.662 -7.014 1.00 11.00 H new ATOM 339 N THR A 22 5.393 3.684 -7.093 1.00 5.37 N ATOM 340 CA THR A 22 4.657 4.679 -6.390 1.00 6.01 C ATOM 341 C THR A 22 3.685 4.020 -5.462 1.00 8.01 C ATOM 342 O THR A 22 3.328 2.847 -5.624 1.00 8.11 O ATOM 343 CB THR A 22 3.900 5.710 -7.219 1.00 8.92 C ATOM 344 OG1 THR A 22 3.194 5.175 -8.281 1.00 10.22 O ATOM 345 CG2 THR A 22 4.827 6.765 -7.780 1.00 9.65 C ATOM 0 H THR A 22 5.046 3.487 -8.032 1.00 5.37 H new ATOM 0 HA THR A 22 5.431 5.249 -5.876 1.00 6.01 H new ATOM 0 HB THR A 22 3.190 6.143 -6.514 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.734 5.894 -8.763 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.251 7.482 -8.365 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.327 7.283 -6.961 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.573 6.292 -8.419 1.00 9.65 H new ATOM 353 N ILE A 23 3.135 4.700 -4.507 1.00 8.32 N ATOM 354 CA ILE A 23 2.130 4.181 -3.578 1.00 9.92 C ATOM 355 C ILE A 23 0.845 3.816 -4.314 1.00 10.01 C ATOM 356 O ILE A 23 0.199 2.817 -4.004 1.00 8.71 O ATOM 357 CB ILE A 23 2.014 5.145 -2.379 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.433 5.342 -1.590 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.906 4.767 -1.411 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.011 4.026 -1.078 1.00 12.30 C ATOM 0 H ILE A 23 3.371 5.676 -4.329 1.00 8.32 H new ATOM 0 HA ILE A 23 2.428 3.228 -3.140 1.00 9.92 H new ATOM 0 HB ILE A 23 1.742 6.106 -2.816 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.153 5.814 -2.258 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.285 6.020 -0.750 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.878 5.485 -0.591 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.051 4.775 -1.933 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.095 3.770 -1.014 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.952 4.218 -0.563 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.307 3.564 -0.386 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.188 3.355 -1.918 1.00 12.30 H new ATOM 372 N GLU A 24 0.572 4.694 -5.381 1.00 9.54 N ATOM 373 CA GLU A 24 -0.566 4.486 -6.256 1.00 11.81 C ATOM 374 C GLU A 24 -0.353 3.204 -7.113 1.00 11.14 C ATOM 375 O GLU A 24 -1.318 2.479 -7.342 1.00 10.62 O ATOM 376 CB GLU A 24 -0.751 5.695 -7.122 1.00 19.24 C ATOM 377 CG GLU A 24 -1.792 5.617 -8.224 1.00 27.76 C ATOM 378 CD GLU A 24 -2.068 6.956 -8.904 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.117 7.560 -9.441 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.192 7.553 -8.759 1.00 34.80 O ATOM 0 H GLU A 24 1.137 5.513 -5.607 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.469 4.343 -5.662 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.008 6.535 -6.476 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.209 5.929 -7.582 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.460 4.900 -8.975 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.723 5.233 -7.806 1.00 27.76 H new ATOM 387 N ASN A 25 0.892 2.884 -7.579 1.00 9.43 N ATOM 388 CA ASN A 25 1.173 1.566 -8.270 1.00 10.96 C ATOM 389 C ASN A 25 1.000 0.402 -7.276 1.00 9.68 C ATOM 390 O ASN A 25 0.490 -0.659 -7.599 1.00 9.33 O ATOM 391 CB ASN A 25 2.622 1.615 -8.796 1.00 16.78 C ATOM 392 CG ASN A 25 2.800 0.603 -9.916 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.484 -0.378 -9.793 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.072 0.835 -11.070 1.00 24.70 N ATOM 0 H ASN A 25 1.704 3.496 -7.497 1.00 9.43 H new ATOM 0 HA ASN A 25 0.478 1.407 -9.094 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.853 2.617 -9.159 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.320 1.401 -7.986 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.109 0.166 -11.839 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.499 1.675 -11.151 1.00 24.70 H new ATOM 401 N VAL A 26 1.417 0.547 -6.043 1.00 6.52 N ATOM 402 CA VAL A 26 1.277 -0.532 -5.042 1.00 5.53 C ATOM 403 C VAL A 26 -0.239 -0.793 -4.729 1.00 4.42 C ATOM 404 O VAL A 26 -0.684 -1.922 -4.692 1.00 3.40 O ATOM 405 CB VAL A 26 2.078 -0.253 -3.815 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.814 -1.294 -2.704 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.572 -0.269 -4.248 1.00 8.12 C ATOM 0 H VAL A 26 1.859 1.395 -5.688 1.00 6.52 H new ATOM 0 HA VAL A 26 1.686 -1.450 -5.464 1.00 5.53 H new ATOM 0 HB VAL A 26 1.798 0.712 -3.392 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.417 -1.053 -1.829 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.758 -1.277 -2.433 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.080 -2.287 -3.066 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.204 -0.069 -3.383 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.821 -1.247 -4.661 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.740 0.498 -5.005 1.00 8.12 H new ATOM 417 N LYS A 27 -1.128 0.294 -4.574 1.00 2.64 N ATOM 418 CA LYS A 27 -2.570 0.129 -4.459 1.00 4.14 C ATOM 419 C LYS A 27 -3.093 -0.505 -5.759 1.00 5.58 C ATOM 420 O LYS A 27 -4.092 -1.224 -5.738 1.00 4.11 O ATOM 421 CB LYS A 27 -3.280 1.489 -4.171 1.00 3.97 C ATOM 422 CG LYS A 27 -2.790 2.156 -2.852 1.00 7.45 C ATOM 423 CD LYS A 27 -3.632 3.342 -2.367 1.00 9.02 C ATOM 424 CE LYS A 27 -3.596 4.544 -3.308 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.690 5.518 -2.949 1.00 15.47 N ATOM 0 H LYS A 27 -0.821 1.266 -4.532 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.793 -0.524 -3.615 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.104 2.169 -5.004 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.356 1.327 -4.113 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.771 1.400 -2.067 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.764 2.494 -2.994 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.665 3.017 -2.246 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.277 3.650 -1.384 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.625 5.036 -3.245 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.718 4.212 -4.339 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.330 6.490 -3.031 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.494 5.391 -3.596 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.001 5.346 -1.972 1.00 15.47 H new ATOM 439 N ALA A 28 -2.487 -0.309 -6.952 1.00 6.61 N ATOM 440 CA ALA A 28 -2.883 -1.033 -8.166 1.00 7.74 C ATOM 441 C ALA A 28 -2.618 -2.469 -8.113 1.00 9.17 C ATOM 442 O ALA A 28 -3.322 -3.346 -8.599 1.00 11.45 O ATOM 443 CB ALA A 28 -2.217 -0.434 -9.405 1.00 7.68 C ATOM 0 H ALA A 28 -1.720 0.348 -7.093 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.965 -0.914 -8.231 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.528 -0.990 -10.290 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.514 0.610 -9.509 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.134 -0.494 -9.301 1.00 7.68 H new ATOM 449 N LYS A 29 -1.521 -2.828 -7.417 1.00 8.96 N ATOM 450 CA LYS A 29 -1.054 -4.166 -7.188 1.00 7.90 C ATOM 451 C LYS A 29 -2.043 -4.887 -6.249 1.00 6.92 C ATOM 452 O LYS A 29 -2.420 -6.004 -6.542 1.00 6.87 O ATOM 453 CB LYS A 29 0.400 -4.216 -6.675 1.00 10.28 C ATOM 454 CG LYS A 29 1.377 -3.822 -7.768 1.00 14.94 C ATOM 455 CD LYS A 29 2.793 -3.876 -7.274 1.00 19.69 C ATOM 456 CE LYS A 29 3.842 -3.148 -8.022 1.00 22.63 C ATOM 457 NZ LYS A 29 3.902 -3.706 -9.420 1.00 24.98 N ATOM 0 H LYS A 29 -0.916 -2.131 -6.982 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.025 -4.693 -8.142 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.512 -3.545 -5.823 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.630 -5.221 -6.322 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.261 -4.490 -8.622 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.149 -2.815 -8.118 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.799 -3.502 -6.250 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.087 -4.925 -7.231 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.618 -2.082 -8.048 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.807 -3.259 -7.527 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.658 -3.229 -9.952 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.098 -4.726 -9.378 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.991 -3.548 -9.896 1.00 24.98 H new ATOM 471 N ILE A 30 -2.532 -4.235 -5.168 1.00 4.57 N ATOM 472 CA ILE A 30 -3.580 -4.818 -4.370 1.00 5.58 C ATOM 473 C ILE A 30 -4.907 -5.003 -5.065 1.00 7.26 C ATOM 474 O ILE A 30 -5.576 -6.028 -4.974 1.00 9.46 O ATOM 475 CB ILE A 30 -3.882 -3.924 -3.173 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.631 -3.912 -2.195 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.059 -4.442 -2.327 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.616 -2.673 -1.296 1.00 2.00 C ATOM 0 H ILE A 30 -2.209 -3.321 -4.851 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.185 -5.800 -4.111 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.119 -2.942 -3.581 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.647 -4.809 -1.576 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.713 -3.945 -2.781 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.229 -3.767 -1.489 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.957 -4.489 -2.943 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.825 -5.437 -1.949 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.743 -2.707 -0.644 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.573 -1.776 -1.914 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.521 -2.653 -0.689 1.00 2.00 H new ATOM 490 N GLN A 31 -5.331 -3.991 -5.905 1.00 7.06 N ATOM 491 CA GLN A 31 -6.503 -4.161 -6.822 1.00 8.67 C ATOM 492 C GLN A 31 -6.357 -5.394 -7.757 1.00 10.90 C ATOM 493 O GLN A 31 -7.240 -6.216 -7.763 1.00 9.63 O ATOM 494 CB GLN A 31 -6.870 -2.857 -7.618 1.00 9.12 C ATOM 495 CG GLN A 31 -8.274 -2.980 -8.248 1.00 10.76 C ATOM 496 CD GLN A 31 -8.567 -1.736 -9.164 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.676 -1.205 -9.819 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.854 -1.329 -9.125 1.00 14.76 N ATOM 0 H GLN A 31 -4.886 -3.075 -5.960 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.352 -4.359 -6.167 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.840 -1.996 -6.950 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.130 -2.681 -8.398 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.339 -3.896 -8.835 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.028 -3.050 -7.464 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.531 -1.832 -8.551 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.149 -0.519 -9.670 1.00 14.76 H new ATOM 507 N ASP A 32 -5.185 -5.660 -8.351 1.00 10.93 N ATOM 508 CA ASP A 32 -4.937 -6.971 -9.066 1.00 14.01 C ATOM 509 C ASP A 32 -5.157 -8.225 -8.202 1.00 14.04 C ATOM 510 O ASP A 32 -5.793 -9.205 -8.600 1.00 13.39 O ATOM 511 CB ASP A 32 -3.457 -7.005 -9.626 1.00 18.01 C ATOM 512 CG ASP A 32 -3.362 -5.988 -10.739 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.362 -5.849 -11.542 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.255 -5.376 -10.891 1.00 25.17 O ATOM 0 H ASP A 32 -4.394 -5.016 -8.365 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.676 -7.006 -9.866 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.744 -6.774 -8.835 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.211 -8.000 -9.996 1.00 18.01 H new ATOM 519 N LYS A 33 -4.731 -8.230 -6.949 1.00 14.22 N ATOM 520 CA LYS A 33 -5.019 -9.306 -5.997 1.00 14.00 C ATOM 521 C LYS A 33 -6.455 -9.439 -5.502 1.00 12.37 C ATOM 522 O LYS A 33 -7.115 -10.479 -5.646 1.00 12.17 O ATOM 523 CB LYS A 33 -4.011 -8.961 -4.844 1.00 18.62 C ATOM 524 CG LYS A 33 -2.492 -9.072 -5.065 1.00 24.00 C ATOM 525 CD LYS A 33 -2.004 -10.519 -5.131 1.00 27.61 C ATOM 526 CE LYS A 33 -0.474 -10.606 -5.225 1.00 27.64 C ATOM 527 NZ LYS A 33 0.039 -11.989 -5.058 1.00 30.06 N ATOM 0 H LYS A 33 -4.167 -7.478 -6.553 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.902 -10.286 -6.460 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.216 -7.936 -4.536 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.259 -9.603 -3.999 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.227 -8.562 -5.991 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.974 -8.556 -4.257 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.344 -11.057 -4.246 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.449 -11.013 -5.995 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.152 -10.219 -6.192 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.031 -9.965 -4.462 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.715 -12.015 -4.268 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.754 -12.631 -4.857 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.515 -12.290 -5.932 1.00 30.06 H new ATOM 541 N GLU A 34 -7.035 -8.341 -4.926 1.00 10.11 N ATOM 542 CA GLU A 34 -8.292 -8.468 -4.146 1.00 10.07 C ATOM 543 C GLU A 34 -9.420 -7.623 -4.793 1.00 9.32 C ATOM 544 O GLU A 34 -10.583 -7.590 -4.290 1.00 11.61 O ATOM 545 CB GLU A 34 -7.963 -7.760 -2.820 1.00 14.77 C ATOM 546 CG GLU A 34 -7.022 -8.536 -1.834 1.00 18.75 C ATOM 547 CD GLU A 34 -7.601 -9.871 -1.372 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.632 -9.838 -0.653 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.973 -10.931 -1.671 1.00 25.19 O ATOM 0 H GLU A 34 -6.662 -7.393 -4.987 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.610 -9.508 -4.069 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.501 -6.800 -3.050 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.899 -7.548 -2.304 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.063 -8.713 -2.321 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.826 -7.912 -0.962 1.00 18.75 H new ATOM 556 N GLY A 35 -9.089 -6.817 -5.776 1.00 7.22 N ATOM 557 CA GLY A 35 -10.196 -6.053 -6.448 1.00 6.29 C ATOM 558 C GLY A 35 -10.756 -4.860 -5.741 1.00 6.93 C ATOM 559 O GLY A 35 -11.760 -4.293 -6.178 1.00 7.41 O ATOM 0 H GLY A 35 -8.146 -6.657 -6.131 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.831 -5.724 -7.421 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.016 -6.747 -6.633 1.00 6.29 H new ATOM 563 N ILE A 36 -10.121 -4.321 -4.728 1.00 5.86 N ATOM 564 CA ILE A 36 -10.534 -3.154 -3.940 1.00 6.07 C ATOM 565 C ILE A 36 -10.103 -1.916 -4.719 1.00 6.36 C ATOM 566 O ILE A 36 -8.913 -1.884 -5.105 1.00 6.18 O ATOM 567 CB ILE A 36 -9.912 -3.146 -2.554 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.057 -4.439 -1.757 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.578 -1.984 -1.745 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.155 -4.452 -0.495 1.00 9.49 C ATOM 0 H ILE A 36 -9.235 -4.705 -4.398 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.613 -3.178 -3.790 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.839 -3.019 -2.701 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.098 -4.566 -1.459 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.802 -5.287 -2.393 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.153 -1.949 -0.742 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.393 -1.036 -2.250 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.652 -2.156 -1.679 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.292 -5.392 0.040 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.111 -4.353 -0.793 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.427 -3.621 0.155 1.00 9.49 H new ATOM 582 N PRO A 37 -10.956 -0.871 -5.071 1.00 8.65 N ATOM 583 CA PRO A 37 -10.570 0.332 -5.753 1.00 9.18 C ATOM 584 C PRO A 37 -9.394 1.182 -5.150 1.00 9.85 C ATOM 585 O PRO A 37 -9.515 1.574 -3.988 1.00 8.51 O ATOM 586 CB PRO A 37 -11.897 1.010 -5.942 1.00 11.42 C ATOM 587 CG PRO A 37 -12.984 -0.084 -5.916 1.00 9.27 C ATOM 588 CD PRO A 37 -12.441 -1.067 -4.924 1.00 8.33 C ATOM 0 HA PRO A 37 -10.053 0.134 -6.692 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.070 1.741 -5.152 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.920 1.551 -6.888 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.950 0.313 -5.605 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.126 -0.536 -6.897 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.782 -0.855 -3.911 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.743 -2.089 -5.155 1.00 8.33 H new ATOM 596 N PRO A 38 -8.295 1.518 -5.837 1.00 8.71 N ATOM 597 CA PRO A 38 -7.294 2.458 -5.291 1.00 9.08 C ATOM 598 C PRO A 38 -7.716 3.815 -4.800 1.00 9.28 C ATOM 599 O PRO A 38 -7.091 4.349 -3.875 1.00 6.50 O ATOM 600 CB PRO A 38 -6.240 2.545 -6.401 1.00 10.31 C ATOM 601 CG PRO A 38 -6.400 1.184 -7.147 1.00 10.81 C ATOM 602 CD PRO A 38 -7.882 0.850 -7.046 1.00 12.00 C ATOM 0 HA PRO A 38 -6.957 2.055 -4.336 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.421 3.392 -7.063 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.236 2.667 -5.995 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.084 1.265 -8.187 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.788 0.408 -6.687 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.435 1.211 -7.913 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.048 -0.226 -6.987 1.00 12.00 H new ATOM 610 N ASP A 39 -8.732 4.470 -5.382 1.00 11.20 N ATOM 611 CA ASP A 39 -9.233 5.766 -4.916 1.00 14.96 C ATOM 612 C ASP A 39 -9.864 5.603 -3.528 1.00 13.99 C ATOM 613 O ASP A 39 -9.846 6.457 -2.666 1.00 13.75 O ATOM 614 CB ASP A 39 -10.363 6.255 -5.824 1.00 24.16 C ATOM 615 CG ASP A 39 -9.954 6.768 -7.248 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.980 7.501 -7.427 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.738 6.408 -8.174 1.00 35.55 O ATOM 0 H ASP A 39 -9.231 4.110 -6.195 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.394 6.462 -4.909 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.076 5.440 -5.948 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.887 7.061 -5.310 1.00 24.16 H new ATOM 622 N GLN A 40 -10.460 4.424 -3.275 1.00 11.60 N ATOM 623 CA GLN A 40 -10.877 4.041 -1.925 1.00 10.76 C ATOM 624 C GLN A 40 -9.684 3.738 -1.000 1.00 8.01 C ATOM 625 O GLN A 40 -9.633 4.259 0.101 1.00 8.96 O ATOM 626 CB GLN A 40 -11.884 2.854 -1.886 1.00 11.14 C ATOM 627 CG GLN A 40 -12.354 2.449 -0.442 1.00 14.85 C ATOM 628 CD GLN A 40 -13.338 1.177 -0.458 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.121 0.190 -1.142 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.436 1.227 0.372 1.00 18.16 N ATOM 0 H GLN A 40 -10.661 3.725 -3.990 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.399 4.922 -1.551 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.760 3.117 -2.480 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.424 1.988 -2.362 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.482 2.224 0.172 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.862 3.294 0.023 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.609 2.057 0.940 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.076 0.434 0.419 1.00 18.16 H new ATOM 639 N GLN A 41 -8.691 2.975 -1.446 1.00 6.52 N ATOM 640 CA GLN A 41 -7.553 2.518 -0.699 1.00 3.87 C ATOM 641 C GLN A 41 -6.682 3.674 -0.214 1.00 4.79 C ATOM 642 O GLN A 41 -6.298 4.631 -0.865 1.00 6.34 O ATOM 643 CB GLN A 41 -6.732 1.442 -1.456 1.00 4.20 C ATOM 644 CG GLN A 41 -7.328 0.116 -1.897 1.00 3.20 C ATOM 645 CD GLN A 41 -6.267 -0.572 -2.711 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.137 -0.742 -2.237 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.509 -0.889 -3.963 1.00 7.13 N ATOM 0 H GLN A 41 -8.671 2.643 -2.410 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.949 2.027 0.190 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.343 1.922 -2.354 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.875 1.204 -0.825 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.611 -0.489 -1.036 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.231 0.272 -2.487 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.441 -0.749 -4.354 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.765 -1.275 -4.544 1.00 7.13 H new ATOM 656 N ARG A 42 -6.116 3.391 0.965 1.00 5.73 N ATOM 657 CA ARG A 42 -5.102 4.179 1.610 1.00 6.97 C ATOM 658 C ARG A 42 -4.093 3.211 2.259 1.00 7.15 C ATOM 659 O ARG A 42 -4.492 2.088 2.623 1.00 7.33 O ATOM 660 CB ARG A 42 -5.652 5.179 2.679 1.00 13.23 C ATOM 661 CG ARG A 42 -6.071 6.505 2.053 1.00 21.27 C ATOM 662 CD ARG A 42 -6.142 7.547 3.111 1.00 26.14 C ATOM 663 NE ARG A 42 -6.487 8.932 2.511 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.077 9.937 3.182 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.913 9.722 4.225 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.957 11.208 2.753 1.00 36.39 N ATOM 0 H ARG A 42 -6.376 2.566 1.506 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.634 4.803 0.848 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.505 4.732 3.189 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.888 5.360 3.435 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.357 6.799 1.284 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.040 6.400 1.565 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.895 7.269 3.848 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.188 7.602 3.635 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.249 9.094 1.533 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.115 8.769 4.528 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.340 10.513 4.707 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.416 11.414 1.913 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.408 11.965 3.268 1.00 36.39 H new ATOM 680 N LEU A 43 -2.828 3.570 2.368 1.00 4.65 N ATOM 681 CA LEU A 43 -1.812 2.742 2.908 1.00 3.51 C ATOM 682 C LEU A 43 -1.163 3.295 4.072 1.00 5.56 C ATOM 683 O LEU A 43 -0.960 4.513 4.150 1.00 4.19 O ATOM 684 CB LEU A 43 -0.743 2.288 1.834 1.00 3.74 C ATOM 685 CG LEU A 43 -1.191 1.266 0.797 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.058 0.835 -0.163 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.854 0.019 1.378 1.00 6.41 C ATOM 0 H LEU A 43 -2.486 4.483 2.067 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.347 1.852 3.239 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.396 3.176 1.306 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.116 1.877 2.365 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.950 1.809 0.233 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.443 0.106 -0.876 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.315 1.707 -0.700 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.754 0.387 0.410 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.140 -0.652 0.568 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.154 -0.490 2.041 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.742 0.308 1.941 1.00 6.41 H new ATOM 699 N ILE A 44 -0.735 2.480 5.076 1.00 4.58 N ATOM 700 CA ILE A 44 -0.115 2.968 6.266 1.00 5.55 C ATOM 701 C ILE A 44 1.222 2.336 6.499 1.00 5.46 C ATOM 702 O ILE A 44 1.289 1.118 6.718 1.00 6.04 O ATOM 703 CB ILE A 44 -0.987 2.936 7.608 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.518 3.285 7.482 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.264 3.823 8.695 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.837 4.798 7.533 1.00 13.90 C ATOM 0 H ILE A 44 -0.827 1.465 5.048 1.00 4.58 H new ATOM 0 HA ILE A 44 0.001 4.030 6.049 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.027 1.889 7.907 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.894 2.879 6.543 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.059 2.785 8.285 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.845 3.813 9.617 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.731 3.422 8.888 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.179 4.847 8.331 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.913 4.946 7.439 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.495 5.210 8.482 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.328 5.305 6.713 1.00 13.90 H new ATOM 718 N PHE A 45 2.390 3.066 6.479 1.00 6.75 N ATOM 719 CA PHE A 45 3.642 2.453 6.887 1.00 4.70 C ATOM 720 C PHE A 45 4.032 3.038 8.250 1.00 6.34 C ATOM 721 O PHE A 45 4.297 4.265 8.410 1.00 5.45 O ATOM 722 CB PHE A 45 4.761 2.651 5.829 1.00 5.51 C ATOM 723 CG PHE A 45 6.122 2.050 6.050 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.222 0.639 6.260 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.335 2.734 5.831 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.503 0.007 6.401 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.574 2.054 5.904 1.00 6.64 C ATOM 728 CZ PHE A 45 8.700 0.739 6.279 1.00 6.84 C ATOM 0 H PHE A 45 2.460 4.042 6.191 1.00 6.75 H new ATOM 0 HA PHE A 45 3.511 1.374 6.972 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.385 2.262 4.883 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.898 3.725 5.700 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.323 0.042 6.313 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.319 3.790 5.605 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.550 -1.053 6.605 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.471 2.600 5.651 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.664 0.291 6.470 1.00 6.84 H new ATOM 738 N ALA A 46 4.206 2.167 9.250 1.00 6.53 N ATOM 739 CA ALA A 46 4.652 2.420 10.595 1.00 7.15 C ATOM 740 C ALA A 46 3.939 3.603 11.279 1.00 9.00 C ATOM 741 O ALA A 46 4.537 4.613 11.670 1.00 11.15 O ATOM 742 CB ALA A 46 6.208 2.651 10.632 1.00 8.99 C ATOM 0 H ALA A 46 4.015 1.175 9.108 1.00 6.53 H new ATOM 0 HA ALA A 46 4.390 1.526 11.161 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.523 2.840 11.658 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.717 1.764 10.254 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.463 3.509 10.010 1.00 8.99 H new ATOM 748 N GLY A 47 2.580 3.628 11.233 1.00 9.35 N ATOM 749 CA GLY A 47 1.708 4.699 11.721 1.00 11.68 C ATOM 750 C GLY A 47 1.607 5.879 10.849 1.00 11.14 C ATOM 751 O GLY A 47 0.967 6.878 11.172 1.00 13.93 O ATOM 0 H GLY A 47 2.048 2.856 10.831 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.708 4.291 11.868 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.068 5.021 12.698 1.00 11.68 H new ATOM 755 N LYS A 48 2.187 5.871 9.623 1.00 10.47 N ATOM 756 CA LYS A 48 2.266 7.039 8.764 1.00 8.82 C ATOM 757 C LYS A 48 1.465 6.742 7.522 1.00 7.68 C ATOM 758 O LYS A 48 1.751 5.789 6.807 1.00 6.47 O ATOM 759 CB LYS A 48 3.743 7.370 8.514 1.00 9.74 C ATOM 760 CG LYS A 48 3.894 8.742 7.865 1.00 14.14 C ATOM 761 CD LYS A 48 3.952 9.883 8.962 1.00 16.32 C ATOM 762 CE LYS A 48 5.230 10.066 9.755 1.00 20.04 C ATOM 763 NZ LYS A 48 5.162 11.086 10.790 1.00 23.92 N ATOM 0 H LYS A 48 2.611 5.038 9.216 1.00 10.47 H new ATOM 0 HA LYS A 48 1.837 7.934 9.214 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.289 7.348 9.457 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.186 6.609 7.871 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.802 8.765 7.262 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.058 8.923 7.190 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.732 10.829 8.467 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.146 9.700 9.672 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.494 9.115 10.218 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.036 10.320 9.066 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.077 11.144 11.281 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.943 12.006 10.357 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.418 10.839 11.473 1.00 23.92 H new ATOM 777 N GLN A 49 0.408 7.607 7.282 1.00 8.89 N ATOM 778 CA GLN A 49 -0.452 7.584 6.133 1.00 7.18 C ATOM 779 C GLN A 49 0.245 8.019 4.886 1.00 8.23 C ATOM 780 O GLN A 49 0.877 9.050 4.896 1.00 9.70 O ATOM 781 CB GLN A 49 -1.759 8.292 6.470 1.00 11.67 C ATOM 782 CG GLN A 49 -2.929 8.190 5.458 1.00 15.82 C ATOM 783 CD GLN A 49 -4.350 8.411 5.954 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.141 7.521 6.235 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.661 9.723 6.208 1.00 20.67 N ATOM 0 H GLN A 49 0.162 8.350 7.937 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.729 6.559 5.885 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.111 7.904 7.426 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.537 9.349 6.617 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.741 8.912 4.663 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.888 7.199 5.005 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.997 10.460 5.971 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.557 9.962 6.634 1.00 20.67 H new ATOM 794 N LEU A 50 0.241 7.186 3.872 1.00 6.51 N ATOM 795 CA LEU A 50 1.122 7.337 2.705 1.00 7.41 C ATOM 796 C LEU A 50 0.357 7.949 1.508 1.00 8.27 C ATOM 797 O LEU A 50 -0.856 7.789 1.340 1.00 8.34 O ATOM 798 CB LEU A 50 1.627 5.911 2.230 1.00 7.13 C ATOM 799 CG LEU A 50 2.329 5.095 3.348 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.908 3.796 2.709 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.418 5.833 4.079 1.00 9.11 C ATOM 0 H LEU A 50 -0.373 6.373 3.820 1.00 6.51 H new ATOM 0 HA LEU A 50 1.948 7.983 3.003 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.777 5.341 1.855 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.318 6.039 1.397 1.00 7.13 H new ATOM 0 HG LEU A 50 1.574 4.880 4.105 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.407 3.204 3.476 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.097 3.213 2.272 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.625 4.061 1.932 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.850 5.184 4.841 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.194 6.130 3.373 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.000 6.721 4.554 1.00 9.11 H new ATOM 813 N GLU A 51 1.072 8.687 0.629 1.00 9.43 N ATOM 814 CA GLU A 51 0.541 9.453 -0.449 1.00 11.90 C ATOM 815 C GLU A 51 0.809 8.908 -1.852 1.00 11.49 C ATOM 816 O GLU A 51 1.908 8.453 -2.168 1.00 9.88 O ATOM 817 CB GLU A 51 1.034 10.922 -0.386 1.00 16.56 C ATOM 818 CG GLU A 51 0.720 11.634 0.951 1.00 26.06 C ATOM 819 CD GLU A 51 1.305 13.073 1.038 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.956 13.958 0.232 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.147 13.356 1.936 1.00 32.13 O ATOM 0 H GLU A 51 2.089 8.747 0.682 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.537 9.387 -0.299 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.111 10.940 -0.551 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.577 11.483 -1.201 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.361 11.681 1.084 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.117 11.038 1.773 1.00 26.06 H new ATOM 828 N ASP A 52 -0.233 8.908 -2.688 1.00 12.71 N ATOM 829 CA ASP A 52 -0.355 8.248 -4.023 1.00 16.56 C ATOM 830 C ASP A 52 0.760 8.472 -5.085 1.00 15.83 C ATOM 831 O ASP A 52 1.306 7.486 -5.567 1.00 17.21 O ATOM 832 CB ASP A 52 -1.643 8.853 -4.618 1.00 21.05 C ATOM 833 CG ASP A 52 -2.850 8.503 -3.773 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.066 9.140 -2.713 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.622 7.625 -4.186 1.00 28.37 O ATOM 0 H ASP A 52 -1.090 9.405 -2.444 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.315 7.176 -3.831 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.543 9.936 -4.684 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.787 8.484 -5.633 1.00 21.05 H new ATOM 840 N GLY A 53 1.110 9.773 -5.320 1.00 15.00 N ATOM 841 CA GLY A 53 2.274 10.137 -6.244 1.00 11.77 C ATOM 842 C GLY A 53 3.640 10.013 -5.588 1.00 11.10 C ATOM 843 O GLY A 53 4.608 10.358 -6.222 1.00 11.25 O ATOM 0 H GLY A 53 0.633 10.575 -4.907 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.243 9.493 -7.123 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.141 11.161 -6.594 1.00 11.77 H new ATOM 847 N ARG A 54 3.859 9.426 -4.395 1.00 8.53 N ATOM 848 CA ARG A 54 5.092 9.212 -3.736 1.00 9.05 C ATOM 849 C ARG A 54 5.523 7.769 -3.884 1.00 8.96 C ATOM 850 O ARG A 54 4.670 6.945 -4.311 1.00 11.60 O ATOM 851 CB ARG A 54 5.016 9.489 -2.234 1.00 7.97 C ATOM 852 CG ARG A 54 4.781 11.024 -1.869 1.00 9.62 C ATOM 853 CD ARG A 54 5.763 12.047 -2.372 1.00 12.20 C ATOM 854 NE ARG A 54 5.312 13.378 -1.946 1.00 18.23 N ATOM 855 CZ ARG A 54 6.186 14.405 -1.934 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.372 14.372 -2.497 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.869 15.579 -1.339 1.00 23.38 N ATOM 0 H ARG A 54 3.079 9.068 -3.844 1.00 8.53 H new ATOM 0 HA ARG A 54 5.798 9.901 -4.200 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.207 8.896 -1.806 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.941 9.152 -1.765 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.794 11.304 -2.239 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.749 11.104 -0.782 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.759 11.841 -1.979 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.834 12.001 -3.459 1.00 12.20 H new ATOM 0 HE ARG A 54 4.344 13.525 -1.661 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.683 13.531 -2.983 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.982 15.188 -2.449 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.959 15.695 -0.892 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.540 16.347 -1.337 1.00 23.38 H new ATOM 871 N THR A 55 6.758 7.353 -3.625 1.00 9.05 N ATOM 872 CA THR A 55 7.286 6.012 -3.819 1.00 9.03 C ATOM 873 C THR A 55 7.674 5.318 -2.495 1.00 8.15 C ATOM 874 O THR A 55 7.497 5.819 -1.423 1.00 5.91 O ATOM 875 CB THR A 55 8.528 5.913 -4.690 1.00 11.15 C ATOM 876 OG1 THR A 55 9.665 6.501 -4.125 1.00 11.95 O ATOM 877 CG2 THR A 55 8.263 6.628 -5.968 1.00 11.71 C ATOM 0 H THR A 55 7.462 7.988 -3.249 1.00 9.05 H new ATOM 0 HA THR A 55 6.446 5.527 -4.316 1.00 9.03 H new ATOM 0 HB THR A 55 8.729 4.850 -4.820 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.405 7.304 -3.627 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.144 6.568 -6.608 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.415 6.167 -6.474 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.036 7.674 -5.760 1.00 11.71 H new ATOM 885 N LEU A 56 8.161 4.110 -2.675 1.00 6.91 N ATOM 886 CA LEU A 56 8.768 3.323 -1.641 1.00 8.29 C ATOM 887 C LEU A 56 10.107 3.885 -1.081 1.00 8.05 C ATOM 888 O LEU A 56 10.441 3.772 0.124 1.00 10.17 O ATOM 889 CB LEU A 56 8.924 1.779 -1.997 1.00 6.60 C ATOM 890 CG LEU A 56 7.759 0.860 -1.796 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.522 1.054 -2.760 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.180 -0.580 -1.893 1.00 8.64 C ATOM 0 H LEU A 56 8.141 3.638 -3.579 1.00 6.91 H new ATOM 0 HA LEU A 56 8.034 3.405 -0.839 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.217 1.712 -3.045 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.754 1.389 -1.408 1.00 6.60 H new ATOM 0 HG LEU A 56 7.419 1.133 -0.797 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.748 0.328 -2.510 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.125 2.062 -2.644 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.839 0.906 -3.792 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.313 -1.223 -1.743 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.606 -0.769 -2.878 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.927 -0.793 -1.128 1.00 8.64 H new ATOM 904 N SER A 57 10.856 4.688 -1.885 1.00 8.92 N ATOM 905 CA SER A 57 12.149 5.374 -1.496 1.00 9.00 C ATOM 906 C SER A 57 11.920 6.529 -0.599 1.00 9.44 C ATOM 907 O SER A 57 12.639 6.752 0.421 1.00 10.91 O ATOM 908 CB SER A 57 12.963 5.734 -2.771 1.00 10.32 C ATOM 909 OG SER A 57 14.287 5.911 -2.346 1.00 13.59 O ATOM 0 H SER A 57 10.583 4.890 -2.847 1.00 8.92 H new ATOM 0 HA SER A 57 12.752 4.679 -0.911 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.895 4.940 -3.515 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.578 6.641 -3.237 1.00 10.32 H new ATOM 0 HG SER A 57 14.850 6.140 -3.115 1.00 13.59 H new ATOM 915 N ASP A 58 10.911 7.327 -0.849 1.00 9.11 N ATOM 916 CA ASP A 58 10.411 8.408 -0.022 1.00 7.91 C ATOM 917 C ASP A 58 10.144 7.964 1.465 1.00 9.12 C ATOM 918 O ASP A 58 10.334 8.674 2.438 1.00 8.61 O ATOM 919 CB ASP A 58 9.045 8.992 -0.599 1.00 8.41 C ATOM 920 CG ASP A 58 9.354 9.531 -1.955 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.114 10.516 -2.106 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.970 8.806 -2.900 1.00 11.70 O ATOM 0 H ASP A 58 10.370 7.232 -1.708 1.00 9.11 H new ATOM 0 HA ASP A 58 11.194 9.167 -0.036 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.284 8.214 -0.655 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.653 9.775 0.050 1.00 8.41 H new ATOM 927 N TYR A 59 9.592 6.786 1.684 1.00 7.97 N ATOM 928 CA TYR A 59 9.225 6.281 2.976 1.00 8.45 C ATOM 929 C TYR A 59 10.241 5.181 3.505 1.00 10.98 C ATOM 930 O TYR A 59 10.026 4.703 4.628 1.00 12.95 O ATOM 931 CB TYR A 59 7.871 5.604 2.827 1.00 7.94 C ATOM 932 CG TYR A 59 6.846 6.560 2.384 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.616 7.655 3.272 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.106 6.465 1.176 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.591 8.652 2.938 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.116 7.441 0.910 1.00 6.52 C ATOM 937 CZ TYR A 59 4.923 8.559 1.724 1.00 6.76 C ATOM 938 OH TYR A 59 3.929 9.508 1.298 1.00 7.63 O ATOM 0 H TYR A 59 9.382 6.134 0.929 1.00 7.97 H new ATOM 0 HA TYR A 59 9.219 7.113 3.680 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.946 4.788 2.108 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.575 5.164 3.779 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.191 7.749 4.181 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.294 5.665 0.475 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.359 9.449 3.629 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.485 7.316 0.043 1.00 6.52 H new ATOM 0 HH TYR A 59 4.330 10.401 1.248 1.00 7.63 H new ATOM 948 N ASN A 60 11.261 4.829 2.808 1.00 12.38 N ATOM 949 CA ASN A 60 12.208 3.785 3.269 1.00 13.94 C ATOM 950 C ASN A 60 11.582 2.422 3.466 1.00 14.16 C ATOM 951 O ASN A 60 11.663 1.727 4.449 1.00 14.26 O ATOM 952 CB ASN A 60 13.169 4.109 4.436 1.00 19.23 C ATOM 953 CG ASN A 60 13.843 5.415 4.259 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.449 5.722 3.268 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.647 6.257 5.265 1.00 24.09 N ATOM 0 H ASN A 60 11.494 5.233 1.901 1.00 12.38 H new ATOM 0 HA ASN A 60 12.862 3.766 2.397 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.612 4.114 5.373 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.919 3.323 4.515 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.017 7.206 5.215 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.126 5.955 6.089 1.00 24.09 H new ATOM 962 N ILE A 61 10.833 1.946 2.477 1.00 11.08 N ATOM 963 CA ILE A 61 10.178 0.644 2.498 1.00 11.78 C ATOM 964 C ILE A 61 11.079 -0.461 2.038 1.00 13.74 C ATOM 965 O ILE A 61 11.706 -0.491 0.993 1.00 14.60 O ATOM 966 CB ILE A 61 8.815 0.743 1.843 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.976 1.834 2.590 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.127 -0.697 1.801 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.742 2.239 1.795 1.00 11.42 C ATOM 0 H ILE A 61 10.661 2.468 1.618 1.00 11.08 H new ATOM 0 HA ILE A 61 9.972 0.343 3.525 1.00 11.78 H new ATOM 0 HB ILE A 61 8.894 1.062 0.804 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.672 1.454 3.565 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.597 2.711 2.769 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.148 -0.619 1.329 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.752 -1.382 1.228 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.011 -1.075 2.817 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.187 2.997 2.347 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.047 2.643 0.830 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.107 1.367 1.639 1.00 11.42 H new ATOM 981 N GLN A 62 11.271 -1.501 2.909 1.00 13.97 N ATOM 982 CA GLN A 62 12.255 -2.558 2.740 1.00 15.52 C ATOM 983 C GLN A 62 11.602 -3.899 2.381 1.00 13.94 C ATOM 984 O GLN A 62 10.383 -4.096 2.405 1.00 12.15 O ATOM 985 CB GLN A 62 12.984 -2.769 4.087 1.00 19.53 C ATOM 986 CG GLN A 62 13.849 -1.594 4.580 1.00 26.38 C ATOM 987 CD GLN A 62 14.699 -2.142 5.717 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.308 -3.128 6.356 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.838 -1.479 6.084 1.00 32.71 N ATOM 0 H GLN A 62 10.719 -1.606 3.760 1.00 13.97 H new ATOM 0 HA GLN A 62 12.927 -2.256 1.937 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.238 -2.990 4.850 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.620 -3.650 3.999 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.476 -1.208 3.776 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.225 -0.768 4.923 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.151 -0.668 5.550 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.375 -1.796 6.891 1.00 32.71 H new ATOM 998 N LYS A 63 12.397 -4.981 2.206 1.00 11.73 N ATOM 999 CA LYS A 63 11.945 -6.312 2.035 1.00 11.97 C ATOM 1000 C LYS A 63 11.287 -6.838 3.273 1.00 10.41 C ATOM 1001 O LYS A 63 11.830 -6.800 4.356 1.00 9.59 O ATOM 1002 CB LYS A 63 13.013 -7.317 1.472 1.00 13.73 C ATOM 1003 CG LYS A 63 14.125 -7.624 2.436 1.00 16.98 C ATOM 1004 CD LYS A 63 15.237 -8.600 2.029 1.00 20.19 C ATOM 1005 CE LYS A 63 14.895 -10.019 1.533 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.639 -10.918 2.676 1.00 25.97 N ATOM 0 H LYS A 63 13.414 -4.907 2.185 1.00 11.73 H new ATOM 0 HA LYS A 63 11.196 -6.244 1.246 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.514 -8.247 1.199 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.440 -6.904 0.558 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.601 -6.678 2.696 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.669 -8.012 3.347 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.817 -8.116 1.243 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.897 -8.711 2.889 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.018 -9.983 0.887 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.717 -10.409 0.933 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.628 -11.904 2.346 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.389 -10.798 3.386 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.719 -10.685 3.101 1.00 25.97 H new ATOM 1020 N GLU A 64 10.108 -7.501 3.113 1.00 10.04 N ATOM 1021 CA GLU A 64 9.296 -8.256 4.105 1.00 10.94 C ATOM 1022 C GLU A 64 8.709 -7.312 5.176 1.00 9.74 C ATOM 1023 O GLU A 64 8.314 -7.779 6.271 1.00 9.42 O ATOM 1024 CB GLU A 64 10.149 -9.467 4.657 1.00 18.31 C ATOM 1025 CG GLU A 64 10.417 -10.568 3.643 1.00 24.16 C ATOM 1026 CD GLU A 64 11.479 -11.565 4.095 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.617 -11.140 4.426 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.227 -12.806 4.029 1.00 32.61 O ATOM 0 H GLU A 64 9.660 -7.521 2.197 1.00 10.04 H new ATOM 0 HA GLU A 64 8.416 -8.696 3.636 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.103 -9.086 5.020 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.631 -9.898 5.514 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.488 -11.103 3.445 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.731 -10.116 2.702 1.00 24.16 H new ATOM 1035 N SER A 65 8.642 -6.032 4.815 1.00 6.85 N ATOM 1036 CA SER A 65 7.931 -5.021 5.503 1.00 6.90 C ATOM 1037 C SER A 65 6.432 -5.237 5.594 1.00 4.72 C ATOM 1038 O SER A 65 5.834 -5.642 4.650 1.00 3.91 O ATOM 1039 CB SER A 65 8.214 -3.606 4.893 1.00 7.28 C ATOM 1040 OG SER A 65 9.548 -3.216 4.896 1.00 10.56 O ATOM 0 H SER A 65 9.118 -5.680 3.984 1.00 6.85 H new ATOM 0 HA SER A 65 8.312 -5.079 6.523 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.850 -3.592 3.866 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.635 -2.867 5.447 1.00 7.28 H new ATOM 0 HG SER A 65 9.946 -3.405 4.021 1.00 10.56 H new ATOM 1046 N THR A 66 5.757 -4.756 6.676 1.00 4.48 N ATOM 1047 CA THR A 66 4.332 -4.749 6.723 1.00 3.80 C ATOM 1048 C THR A 66 3.876 -3.316 6.443 1.00 4.60 C ATOM 1049 O THR A 66 4.223 -2.376 7.109 1.00 5.33 O ATOM 1050 CB THR A 66 3.777 -5.121 8.081 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.198 -6.437 8.482 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.257 -5.148 8.038 1.00 3.40 C ATOM 0 H THR A 66 6.209 -4.377 7.508 1.00 4.48 H new ATOM 0 HA THR A 66 3.976 -5.480 5.997 1.00 3.80 H new ATOM 0 HB THR A 66 4.147 -4.375 8.784 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.824 -6.646 9.363 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.870 -5.417 9.021 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.883 -4.163 7.758 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.927 -5.883 7.304 1.00 3.40 H new ATOM 1060 N LEU A 67 2.951 -3.224 5.528 1.00 4.17 N ATOM 1061 CA LEU A 67 2.207 -2.039 5.045 1.00 3.85 C ATOM 1062 C LEU A 67 0.800 -2.341 5.566 1.00 3.80 C ATOM 1063 O LEU A 67 0.351 -3.436 5.314 1.00 5.54 O ATOM 1064 CB LEU A 67 2.176 -1.895 3.565 1.00 7.18 C ATOM 1065 CG LEU A 67 3.351 -1.231 2.850 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.431 0.233 3.187 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.680 -1.943 3.146 1.00 11.66 C ATOM 0 H LEU A 67 2.648 -4.062 5.031 1.00 4.17 H new ATOM 0 HA LEU A 67 2.659 -1.107 5.385 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.058 -2.893 3.142 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.278 -1.332 3.310 1.00 7.18 H new ATOM 0 HG LEU A 67 3.171 -1.322 1.779 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.276 0.681 2.665 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.510 0.728 2.879 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.565 0.352 4.262 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.489 -1.438 2.618 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.875 -1.918 4.218 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.620 -2.979 2.813 1.00 11.66 H new ATOM 1079 N HIS A 68 0.132 -1.386 6.304 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.179 -1.612 6.732 1.00 4.17 C ATOM 1081 C HIS A 68 -2.144 -1.029 5.699 1.00 5.32 C ATOM 1082 O HIS A 68 -1.934 0.004 5.117 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.467 -1.038 8.134 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.053 -1.969 9.201 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.266 -2.247 9.486 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.752 -2.602 10.125 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.254 -3.139 10.508 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.954 -3.378 10.967 1.00 16.30 N ATOM 0 H HIS A 68 0.526 -0.486 6.579 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.321 -2.689 6.818 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.942 -0.090 8.254 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.532 -0.826 8.229 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.825 -2.527 10.219 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.145 -3.604 10.903 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.237 -3.978 11.742 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.185 -1.768 5.311 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.111 -1.363 4.259 1.00 3.97 C ATOM 1098 C LEU A 69 -5.362 -0.858 4.965 1.00 5.07 C ATOM 1099 O LEU A 69 -6.018 -1.666 5.659 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.510 -2.579 3.301 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.626 -2.306 2.303 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.273 -1.155 1.424 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.857 -3.439 1.371 1.00 9.96 C ATOM 0 H LEU A 69 -3.409 -2.673 5.724 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.643 -0.605 3.631 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.622 -2.886 2.748 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.805 -3.424 3.923 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.511 -2.121 2.913 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.083 -0.975 0.717 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.119 -0.265 2.034 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.358 -1.382 0.877 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.664 -3.186 0.683 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.946 -3.636 0.805 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.130 -4.328 1.940 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.764 0.410 4.749 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.904 1.058 5.376 1.00 6.26 C ATOM 1117 C VAL A 70 -7.679 1.619 4.281 1.00 9.22 C ATOM 1118 O VAL A 70 -7.271 1.675 3.095 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.476 2.142 6.435 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.634 1.543 7.535 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.605 3.244 5.800 1.00 8.54 C ATOM 0 H VAL A 70 -5.273 1.027 4.102 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.495 0.348 5.954 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.409 2.548 6.825 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.358 2.321 8.247 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.203 0.768 8.048 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.732 1.107 7.106 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.329 3.974 6.561 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.703 2.798 5.381 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.166 3.740 5.008 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.940 2.025 4.574 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.921 2.498 3.552 1.00 16.06 C ATOM 1133 C LEU A 71 -10.412 3.873 3.861 1.00 18.09 C ATOM 1134 O LEU A 71 -10.796 4.189 4.974 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.040 1.475 3.379 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.684 0.032 2.878 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.961 -0.827 2.754 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.904 0.002 1.558 1.00 19.57 C ATOM 0 H LEU A 71 -9.310 2.035 5.524 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.419 2.579 2.588 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.544 1.374 4.340 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.765 1.895 2.682 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.020 -0.387 3.634 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.696 -1.825 2.405 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.446 -0.900 3.727 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.644 -0.363 2.042 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.697 -1.032 1.281 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.496 0.476 0.775 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.964 0.540 1.679 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.366 4.780 2.854 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.908 6.148 2.895 1.00 25.83 C ATOM 1152 C ARG A 72 -12.409 6.186 2.654 1.00 27.74 C ATOM 1153 O ARG A 72 -12.963 5.540 1.774 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.196 7.009 1.796 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.425 8.557 1.865 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.588 9.391 0.836 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.953 10.847 0.937 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.384 11.786 0.139 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.643 11.489 -0.946 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.276 13.027 0.569 1.00 35.02 N ATOM 0 H ARG A 72 -9.931 4.563 1.957 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.723 6.547 3.892 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.124 6.820 1.855 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.528 6.658 0.819 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.483 8.761 1.702 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.185 8.901 2.871 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.523 9.260 1.029 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.775 9.030 -0.175 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.648 11.137 1.625 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.485 10.515 -1.205 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.240 12.238 -1.509 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.619 13.277 1.497 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.849 13.737 -0.026 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.191 6.923 3.540 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.587 7.201 3.362 1.00 30.76 C ATOM 1176 C LEU A 73 -14.769 8.283 2.374 1.00 32.18 C ATOM 1177 O LEU A 73 -14.435 9.421 2.678 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.309 7.459 4.690 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.042 6.419 5.802 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.723 6.819 7.133 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.572 4.987 5.464 1.00 29.11 C ATOM 0 H LEU A 73 -12.812 7.325 4.398 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.065 6.309 2.957 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.017 8.443 5.058 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.382 7.496 4.500 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.956 6.401 5.888 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.513 6.064 7.891 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.336 7.783 7.464 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.800 6.892 6.983 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.349 4.312 6.290 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.650 5.025 5.308 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.087 4.624 4.558 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.362 8.010 1.120 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.331 8.850 -0.051 1.00 35.33 C ATOM 1195 C ARG A 74 -16.010 10.222 0.058 1.00 36.22 C ATOM 1196 O ARG A 74 -17.077 10.480 0.581 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.917 8.083 -1.262 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.613 8.592 -2.704 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.143 7.631 -3.763 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.755 8.120 -5.144 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.872 7.557 -5.891 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.658 6.219 -5.762 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.286 8.233 -6.887 1.00 41.93 N ATOM 0 H ARG A 74 -15.881 7.147 0.956 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.273 9.081 -0.178 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.568 7.052 -1.198 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.000 8.061 -1.143 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.063 9.575 -2.846 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.537 8.713 -2.828 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.740 6.632 -3.595 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.228 7.554 -3.686 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.225 8.950 -5.505 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.194 5.680 -5.082 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.962 5.755 -6.346 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.538 9.206 -7.061 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.587 7.775 -7.472 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.263 11.231 -0.449 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.734 12.680 -0.319 1.00 36.07 C ATOM 1219 C GLY A 75 -15.219 13.364 0.879 1.00 36.16 C ATOM 1220 O GLY A 75 -15.740 14.386 1.200 1.00 36.26 O ATOM 0 H GLY A 75 -14.373 11.108 -0.932 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.424 13.234 -1.205 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.824 12.698 -0.297 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.104 12.903 1.513 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.495 13.604 2.674 1.00 36.19 C ATOM 1226 C GLY A 76 -11.990 13.208 2.604 1.00 36.20 C ATOM 1227 O GLY A 76 -11.240 14.075 2.087 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.582 12.062 2.865 1.00 0.00 O ATOM 0 H GLY A 76 -13.613 12.052 1.239 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.628 14.684 2.603 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.948 13.288 3.614 1.00 36.19 H new TER 1232 GLY A 76