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 7 THR OG1 : rot 124:sc= 0.88 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00688 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 176:sc= 0.84 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 160:sc= 0.763 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0718) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.3 (180deg=1.1) USER MOD Single : A 2 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.26 (180deg=0.724) USER MOD Single : A 14 THR OG1 : rot -56:sc= 0.0246 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.352 K(o=0.35,f=-0.9) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 1.37 (180deg=0.534) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc=-0.000962 (180deg=-0.0735) USER MOD Single : A 31 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= -0.123 (180deg=-0.185) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.221 K(o=-0.22,f=-5.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.715 K(o=0.72,f=-3.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00485 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.799 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.11) USER MOD Single : A 65 SER OG : rot -116:sc= 0.854 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 13.196 -4.505 -3.809 1.00 0.78 N ATOM 2 CA MET A 1 12.847 -4.940 -2.438 1.00 0.70 C ATOM 3 C MET A 1 11.452 -5.433 -2.270 1.00 0.62 C ATOM 4 O MET A 1 10.584 -4.915 -2.971 1.00 0.68 O ATOM 5 CB MET A 1 13.349 -4.013 -1.318 1.00 0.75 C ATOM 6 CG MET A 1 12.616 -2.672 -1.238 1.00 0.79 C ATOM 7 SD MET A 1 13.392 -1.629 0.033 1.00 1.10 S ATOM 8 CE MET A 1 11.950 -0.551 0.276 1.00 0.84 C ATOM 0 H1 MET A 1 14.223 -4.357 -3.875 1.00 0.78 H new ATOM 0 H2 MET A 1 12.907 -5.236 -4.489 1.00 0.78 H new ATOM 0 H3 MET A 1 12.703 -3.615 -4.027 1.00 0.78 H new ATOM 0 HA MET A 1 13.444 -5.842 -2.302 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.247 -4.528 -0.363 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.412 -3.825 -1.467 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.649 -2.170 -2.205 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.565 -2.834 -0.998 1.00 0.79 H new ATOM 0 HE1 MET A 1 12.232 0.300 0.895 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.595 -0.195 -0.691 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.156 -1.111 0.770 1.00 0.84 H new ATOM 20 N GLN A 2 11.218 -6.469 -1.444 1.00 0.59 N ATOM 21 CA GLN A 2 9.862 -6.905 -1.311 1.00 0.56 C ATOM 22 C GLN A 2 9.214 -6.334 -0.097 1.00 0.50 C ATOM 23 O GLN A 2 9.747 -6.333 1.011 1.00 0.60 O ATOM 24 CB GLN A 2 9.856 -8.429 -1.102 1.00 0.71 C ATOM 25 CG GLN A 2 10.166 -9.214 -2.379 1.00 1.15 C ATOM 26 CD GLN A 2 11.664 -9.363 -2.603 1.00 1.30 C ATOM 27 OE1 GLN A 2 12.266 -8.789 -3.509 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.261 -10.328 -1.853 1.00 1.72 N ATOM 0 H GLN A 2 11.916 -6.977 -0.900 1.00 0.59 H new ATOM 0 HA GLN A 2 9.330 -6.588 -2.208 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.589 -8.687 -0.338 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.880 -8.734 -0.724 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.708 -10.201 -2.319 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.719 -8.707 -3.234 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.740 -10.789 -1.107 1.00 1.72 H new ATOM 0 HE22 GLN A 2 13.229 -10.590 -2.036 1.00 1.72 H new ATOM 37 N ILE A 3 8.015 -5.750 -0.270 1.00 0.44 N ATOM 38 CA ILE A 3 7.276 -5.250 0.847 1.00 0.42 C ATOM 39 C ILE A 3 5.996 -6.011 0.778 1.00 0.40 C ATOM 40 O ILE A 3 5.712 -6.612 -0.256 1.00 0.50 O ATOM 41 CB ILE A 3 7.125 -3.763 0.726 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.479 -3.249 -0.572 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.491 -3.097 0.963 1.00 0.61 C ATOM 44 CD1 ILE A 3 6.101 -1.768 -0.601 1.00 0.72 C ATOM 0 H ILE A 3 7.561 -5.625 -1.175 1.00 0.44 H new ATOM 0 HA ILE A 3 7.749 -5.391 1.819 1.00 0.42 H new ATOM 0 HB ILE A 3 6.407 -3.479 1.495 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.166 -3.443 -1.396 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.580 -3.835 -0.762 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.388 -2.015 0.876 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.850 -3.349 1.961 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.204 -3.454 0.220 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.655 -1.525 -1.566 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.384 -1.560 0.193 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.994 -1.162 -0.451 1.00 0.72 H new ATOM 56 N PHE A 4 5.177 -5.918 1.841 1.00 0.37 N ATOM 57 CA PHE A 4 4.008 -6.728 1.990 1.00 0.38 C ATOM 58 C PHE A 4 2.860 -5.819 2.276 1.00 0.39 C ATOM 59 O PHE A 4 2.867 -5.058 3.240 1.00 0.60 O ATOM 60 CB PHE A 4 4.130 -7.751 3.132 1.00 0.45 C ATOM 61 CG PHE A 4 5.315 -8.653 3.095 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.437 -9.587 2.094 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.350 -8.551 3.995 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.609 -10.288 1.935 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.489 -9.313 3.889 1.00 1.40 C ATOM 66 CZ PHE A 4 7.655 -10.160 2.818 1.00 0.85 C ATOM 0 H PHE A 4 5.330 -5.268 2.612 1.00 0.37 H new ATOM 0 HA PHE A 4 3.867 -7.294 1.069 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.145 -7.207 4.077 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.232 -8.368 3.134 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.607 -9.771 1.428 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.265 -7.849 4.812 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.711 -10.957 1.094 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.255 -9.247 4.648 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.576 -10.706 2.676 1.00 0.85 H new ATOM 76 N VAL A 5 1.808 -5.973 1.452 1.00 0.35 N ATOM 77 CA VAL A 5 0.568 -5.299 1.679 1.00 0.35 C ATOM 78 C VAL A 5 -0.434 -6.300 2.138 1.00 0.35 C ATOM 79 O VAL A 5 -0.753 -7.201 1.364 1.00 0.46 O ATOM 80 CB VAL A 5 0.017 -4.650 0.444 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.382 -4.027 0.583 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.069 -3.596 0.063 1.00 0.56 C ATOM 0 H VAL A 5 1.817 -6.568 0.624 1.00 0.35 H new ATOM 0 HA VAL A 5 0.757 -4.520 2.417 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.146 -5.408 -0.322 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.681 -3.587 -0.369 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.098 -4.799 0.866 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.361 -3.253 1.350 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.747 -3.069 -0.835 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.183 -2.884 0.880 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.024 -4.087 -0.127 1.00 0.56 H new ATOM 92 N LYS A 6 -1.040 -6.125 3.326 1.00 0.36 N ATOM 93 CA LYS A 6 -2.077 -6.955 3.855 1.00 0.39 C ATOM 94 C LYS A 6 -3.393 -6.300 3.608 1.00 0.46 C ATOM 95 O LYS A 6 -3.486 -5.102 3.873 1.00 0.53 O ATOM 96 CB LYS A 6 -1.934 -7.375 5.328 1.00 0.54 C ATOM 97 CG LYS A 6 -0.807 -8.343 5.695 1.00 1.22 C ATOM 98 CD LYS A 6 -0.840 -8.818 7.148 1.00 1.37 C ATOM 99 CE LYS A 6 0.223 -9.853 7.522 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.026 -11.155 6.861 1.00 2.09 N ATOM 0 H LYS A 6 -0.791 -5.360 3.953 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.995 -7.901 3.321 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.803 -6.470 5.922 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.876 -7.827 5.639 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.861 -9.212 5.039 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.150 -7.858 5.504 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.725 -7.951 7.799 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.823 -9.241 7.352 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.208 -9.483 7.238 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.234 -9.990 8.603 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.750 -11.811 7.083 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.924 -11.552 7.204 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.079 -11.017 5.832 1.00 2.09 H new ATOM 114 N THR A 7 -4.369 -6.989 2.990 1.00 0.58 N ATOM 115 CA THR A 7 -5.685 -6.457 2.816 1.00 0.78 C ATOM 116 C THR A 7 -6.516 -6.314 4.045 1.00 0.94 C ATOM 117 O THR A 7 -6.084 -6.690 5.133 1.00 0.99 O ATOM 118 CB THR A 7 -6.432 -7.249 1.783 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.857 -8.547 2.171 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.569 -7.383 0.517 1.00 0.92 C ATOM 0 H THR A 7 -4.244 -7.926 2.607 1.00 0.58 H new ATOM 0 HA THR A 7 -5.513 -5.432 2.487 1.00 0.78 H new ATOM 0 HB THR A 7 -7.346 -6.679 1.616 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.827 -8.622 2.055 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.111 -7.958 -0.234 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.345 -6.392 0.123 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.638 -7.894 0.763 1.00 0.92 H new ATOM 128 N LEU A 8 -7.770 -5.844 3.924 1.00 1.17 N ATOM 129 CA LEU A 8 -8.699 -5.791 5.009 1.00 1.39 C ATOM 130 C LEU A 8 -9.242 -7.136 5.349 1.00 1.44 C ATOM 131 O LEU A 8 -9.390 -7.466 6.525 1.00 1.60 O ATOM 132 CB LEU A 8 -9.913 -4.864 4.838 1.00 1.66 C ATOM 133 CG LEU A 8 -10.863 -4.780 6.045 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.313 -4.395 7.430 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.991 -3.769 5.776 1.00 2.43 C ATOM 0 H LEU A 8 -8.149 -5.490 3.045 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.077 -5.375 5.801 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.552 -3.861 4.613 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.484 -5.199 3.972 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.160 -5.826 6.118 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.127 -4.387 8.155 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.560 -5.121 7.737 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.862 -3.404 7.380 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.653 -3.723 6.641 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.561 -2.784 5.596 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.559 -4.083 4.900 1.00 2.43 H new ATOM 147 N THR A 9 -9.506 -7.967 4.325 1.00 1.41 N ATOM 148 CA THR A 9 -9.963 -9.302 4.556 1.00 1.51 C ATOM 149 C THR A 9 -8.953 -10.332 4.931 1.00 1.37 C ATOM 150 O THR A 9 -9.179 -10.971 5.957 1.00 1.62 O ATOM 151 CB THR A 9 -10.620 -9.836 3.317 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.831 -9.851 2.138 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.682 -8.746 3.091 1.00 2.08 C ATOM 0 H THR A 9 -9.404 -7.716 3.342 1.00 1.41 H new ATOM 0 HA THR A 9 -10.618 -9.169 5.417 1.00 1.51 H new ATOM 0 HB THR A 9 -10.919 -10.873 3.467 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.357 -10.218 1.397 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.266 -8.986 2.203 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.342 -8.696 3.957 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.191 -7.783 2.953 1.00 2.08 H new ATOM 161 N GLY A 10 -7.826 -10.613 4.251 1.00 1.18 N ATOM 162 CA GLY A 10 -6.933 -11.628 4.715 1.00 1.22 C ATOM 163 C GLY A 10 -5.798 -11.937 3.801 1.00 0.99 C ATOM 164 O GLY A 10 -5.042 -12.868 4.074 1.00 1.31 O ATOM 0 H GLY A 10 -7.537 -10.145 3.392 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.529 -11.321 5.680 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.503 -12.542 4.884 1.00 1.22 H new ATOM 168 N LYS A 11 -5.604 -11.156 2.723 1.00 0.73 N ATOM 169 CA LYS A 11 -4.556 -11.578 1.846 1.00 0.60 C ATOM 170 C LYS A 11 -3.280 -10.833 2.036 1.00 0.51 C ATOM 171 O LYS A 11 -3.246 -9.607 2.132 1.00 0.63 O ATOM 172 CB LYS A 11 -5.134 -11.410 0.430 1.00 0.75 C ATOM 173 CG LYS A 11 -4.544 -12.243 -0.711 1.00 0.87 C ATOM 174 CD LYS A 11 -5.285 -11.919 -2.010 1.00 1.04 C ATOM 175 CE LYS A 11 -4.586 -12.628 -3.171 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.460 -12.411 -4.345 1.00 1.40 N ATOM 0 H LYS A 11 -6.117 -10.311 2.472 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.269 -12.609 2.051 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.201 -11.629 0.481 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.037 -10.359 0.156 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.481 -12.028 -0.822 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.632 -13.305 -0.484 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.324 -12.242 -1.942 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.297 -10.842 -2.178 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.591 -12.217 -3.341 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.461 -13.691 -2.965 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.909 -12.541 -5.217 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.244 -13.094 -4.325 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.843 -11.444 -4.319 1.00 1.40 H new ATOM 190 N THR A 12 -2.147 -11.556 1.975 1.00 0.49 N ATOM 191 CA THR A 12 -0.919 -10.826 2.042 1.00 0.48 C ATOM 192 C THR A 12 -0.404 -10.782 0.644 1.00 0.52 C ATOM 193 O THR A 12 -0.350 -11.834 0.009 1.00 0.72 O ATOM 194 CB THR A 12 0.098 -11.506 2.910 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.479 -11.814 4.171 1.00 0.77 O ATOM 196 CG2 THR A 12 1.238 -10.501 3.146 1.00 0.78 C ATOM 0 H THR A 12 -2.076 -12.570 1.886 1.00 0.49 H new ATOM 0 HA THR A 12 -1.093 -9.839 2.471 1.00 0.48 H new ATOM 0 HB THR A 12 0.451 -12.421 2.434 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.045 -12.518 4.608 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.002 -10.958 3.775 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.678 -10.218 2.190 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.844 -9.613 3.641 1.00 0.78 H new ATOM 204 N ILE A 13 -0.053 -9.610 0.085 1.00 0.48 N ATOM 205 CA ILE A 13 0.415 -9.358 -1.243 1.00 0.55 C ATOM 206 C ILE A 13 1.809 -8.832 -1.234 1.00 0.51 C ATOM 207 O ILE A 13 2.052 -7.917 -0.448 1.00 0.56 O ATOM 208 CB ILE A 13 -0.470 -8.323 -1.873 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.983 -8.550 -1.716 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.126 -8.328 -3.372 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.829 -7.371 -2.193 1.00 1.55 C ATOM 0 H ILE A 13 -0.104 -8.746 0.625 1.00 0.48 H new ATOM 0 HA ILE A 13 0.395 -10.295 -1.799 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.279 -7.378 -1.364 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.268 -9.441 -2.275 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.206 -8.746 -0.667 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.741 -7.591 -3.889 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.927 -8.079 -3.504 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.320 -9.317 -3.787 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.885 -7.601 -2.053 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.571 -6.482 -1.617 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.635 -7.188 -3.250 1.00 1.55 H new ATOM 223 N THR A 14 2.734 -9.499 -1.947 1.00 0.55 N ATOM 224 CA THR A 14 4.130 -9.190 -1.961 1.00 0.54 C ATOM 225 C THR A 14 4.347 -8.342 -3.167 1.00 0.55 C ATOM 226 O THR A 14 3.979 -8.816 -4.241 1.00 0.72 O ATOM 227 CB THR A 14 4.992 -10.403 -2.152 1.00 0.67 C ATOM 228 OG1 THR A 14 4.791 -11.295 -1.065 1.00 1.08 O ATOM 229 CG2 THR A 14 6.452 -10.010 -1.875 1.00 1.03 C ATOM 0 H THR A 14 2.496 -10.292 -2.543 1.00 0.55 H new ATOM 0 HA THR A 14 4.392 -8.723 -1.012 1.00 0.54 H new ATOM 0 HB THR A 14 4.776 -10.805 -3.142 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.968 -10.828 -0.222 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.095 -10.880 -2.009 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.755 -9.225 -2.568 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.543 -9.646 -0.852 1.00 1.03 H new ATOM 237 N LEU A 15 4.955 -7.153 -3.019 1.00 0.50 N ATOM 238 CA LEU A 15 5.221 -6.181 -4.034 1.00 0.55 C ATOM 239 C LEU A 15 6.680 -5.895 -4.138 1.00 0.52 C ATOM 240 O LEU A 15 7.301 -5.366 -3.218 1.00 0.58 O ATOM 241 CB LEU A 15 4.474 -4.847 -3.868 1.00 0.69 C ATOM 242 CG LEU A 15 2.940 -4.868 -3.977 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.393 -5.823 -5.051 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.176 -5.042 -2.653 1.00 1.55 C ATOM 0 H LEU A 15 5.290 -6.845 -2.106 1.00 0.50 H new ATOM 0 HA LEU A 15 4.846 -6.644 -4.947 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.735 -4.435 -2.893 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.854 -4.154 -4.619 1.00 0.69 H new ATOM 0 HG LEU A 15 2.735 -3.849 -4.306 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.304 -5.775 -5.060 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.777 -5.530 -6.028 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.710 -6.842 -4.827 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.104 -5.042 -2.849 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.461 -5.987 -2.190 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.422 -4.220 -1.981 1.00 1.55 H new ATOM 256 N GLU A 16 7.291 -6.130 -5.313 1.00 0.59 N ATOM 257 CA GLU A 16 8.637 -5.783 -5.647 1.00 0.63 C ATOM 258 C GLU A 16 8.658 -4.353 -6.064 1.00 0.65 C ATOM 259 O GLU A 16 8.092 -3.954 -7.080 1.00 0.81 O ATOM 260 CB GLU A 16 9.113 -6.571 -6.879 1.00 0.76 C ATOM 261 CG GLU A 16 8.991 -8.065 -6.571 1.00 1.41 C ATOM 262 CD GLU A 16 9.420 -8.961 -7.724 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.666 -9.133 -7.793 1.00 1.92 O ATOM 264 OE2 GLU A 16 8.533 -9.464 -8.464 1.00 1.95 O ATOM 0 H GLU A 16 6.810 -6.595 -6.083 1.00 0.59 H new ATOM 0 HA GLU A 16 9.267 -5.992 -4.783 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.511 -6.313 -7.750 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.146 -6.316 -7.117 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.597 -8.298 -5.696 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.957 -8.291 -6.312 1.00 1.41 H new ATOM 271 N VAL A 17 9.284 -3.482 -5.253 1.00 0.61 N ATOM 272 CA VAL A 17 9.413 -2.093 -5.573 1.00 0.63 C ATOM 273 C VAL A 17 10.820 -1.701 -5.280 1.00 0.65 C ATOM 274 O VAL A 17 11.624 -2.531 -4.859 1.00 0.76 O ATOM 275 CB VAL A 17 8.573 -1.338 -4.586 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.161 -1.923 -4.766 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.894 -1.567 -3.099 1.00 0.92 C ATOM 0 H VAL A 17 9.707 -3.744 -4.363 1.00 0.61 H new ATOM 0 HA VAL A 17 9.131 -1.897 -6.607 1.00 0.63 H new ATOM 0 HB VAL A 17 8.726 -0.277 -4.783 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.472 -1.429 -4.081 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.829 -1.763 -5.792 1.00 0.96 H new ATOM 0 HG13 VAL A 17 7.180 -2.992 -4.553 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.221 -0.968 -2.485 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.764 -2.622 -2.857 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.925 -1.274 -2.900 1.00 0.92 H new ATOM 287 N GLU A 18 11.264 -0.443 -5.445 1.00 0.68 N ATOM 288 CA GLU A 18 12.481 0.041 -4.871 1.00 0.74 C ATOM 289 C GLU A 18 12.146 1.138 -3.920 1.00 0.71 C ATOM 290 O GLU A 18 10.977 1.491 -3.770 1.00 0.74 O ATOM 291 CB GLU A 18 13.275 0.594 -6.067 1.00 0.88 C ATOM 292 CG GLU A 18 13.642 -0.469 -7.104 1.00 1.16 C ATOM 293 CD GLU A 18 15.133 -0.746 -7.235 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.883 0.133 -7.738 1.00 2.33 O ATOM 295 OE2 GLU A 18 15.562 -1.871 -6.864 1.00 2.35 O ATOM 0 H GLU A 18 10.763 0.257 -5.992 1.00 0.68 H new ATOM 0 HA GLU A 18 13.043 -0.719 -4.328 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.689 1.375 -6.552 1.00 0.88 H new ATOM 0 HB3 GLU A 18 14.188 1.062 -5.700 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.136 -1.399 -6.845 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.258 -0.157 -8.075 1.00 1.16 H new ATOM 302 N PRO A 19 13.042 1.705 -3.170 1.00 0.74 N ATOM 303 CA PRO A 19 12.596 2.677 -2.213 1.00 0.74 C ATOM 304 C PRO A 19 12.286 4.002 -2.822 1.00 0.70 C ATOM 305 O PRO A 19 11.622 4.786 -2.147 1.00 0.74 O ATOM 306 CB PRO A 19 13.689 2.764 -1.151 1.00 0.86 C ATOM 307 CG PRO A 19 14.929 2.160 -1.830 1.00 0.95 C ATOM 308 CD PRO A 19 14.412 1.262 -2.964 1.00 0.82 C ATOM 0 HA PRO A 19 11.648 2.366 -1.774 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.866 3.795 -0.846 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.417 2.208 -0.254 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.578 2.944 -2.221 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.519 1.584 -1.118 1.00 0.95 H new ATOM 0 HD2 PRO A 19 15.009 1.378 -3.869 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.453 0.208 -2.688 1.00 0.82 H new ATOM 316 N SER A 20 12.750 4.375 -4.028 1.00 0.70 N ATOM 317 CA SER A 20 12.392 5.621 -4.631 1.00 0.74 C ATOM 318 C SER A 20 11.088 5.630 -5.354 1.00 0.71 C ATOM 319 O SER A 20 10.688 6.619 -5.967 1.00 0.80 O ATOM 320 CB SER A 20 13.510 6.331 -5.412 1.00 0.89 C ATOM 321 OG SER A 20 14.743 6.325 -4.708 1.00 1.45 O ATOM 0 H SER A 20 13.381 3.805 -4.591 1.00 0.70 H new ATOM 0 HA SER A 20 12.233 6.243 -3.750 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.643 5.843 -6.378 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.213 7.360 -5.613 1.00 0.89 H new ATOM 0 HG SER A 20 15.426 6.784 -5.240 1.00 1.45 H new ATOM 327 N ASP A 21 10.342 4.513 -5.305 1.00 0.70 N ATOM 328 CA ASP A 21 9.011 4.497 -5.828 1.00 0.73 C ATOM 329 C ASP A 21 7.988 5.228 -5.028 1.00 0.64 C ATOM 330 O ASP A 21 8.101 5.414 -3.818 1.00 0.66 O ATOM 331 CB ASP A 21 8.734 2.984 -5.810 1.00 0.87 C ATOM 332 CG ASP A 21 9.263 2.324 -7.075 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.627 2.330 -8.163 1.00 1.69 O ATOM 334 OD2 ASP A 21 10.349 1.693 -6.977 1.00 1.50 O ATOM 0 H ASP A 21 10.656 3.628 -4.907 1.00 0.70 H new ATOM 0 HA ASP A 21 8.943 5.004 -6.790 1.00 0.73 H new ATOM 0 HB2 ASP A 21 9.204 2.534 -4.936 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.662 2.807 -5.723 1.00 0.87 H new ATOM 339 N THR A 22 6.894 5.725 -5.633 1.00 0.63 N ATOM 340 CA THR A 22 5.871 6.445 -4.938 1.00 0.58 C ATOM 341 C THR A 22 4.811 5.530 -4.430 1.00 0.53 C ATOM 342 O THR A 22 4.649 4.424 -4.943 1.00 0.58 O ATOM 343 CB THR A 22 5.236 7.567 -5.704 1.00 0.63 C ATOM 344 OG1 THR A 22 4.763 7.068 -6.946 1.00 0.70 O ATOM 345 CG2 THR A 22 6.299 8.649 -5.960 1.00 0.75 C ATOM 0 H THR A 22 6.716 5.624 -6.632 1.00 0.63 H new ATOM 0 HA THR A 22 6.403 6.912 -4.109 1.00 0.58 H new ATOM 0 HB THR A 22 4.404 7.989 -5.139 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.345 7.795 -7.453 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.853 9.473 -6.517 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.679 9.018 -5.007 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.120 8.223 -6.537 1.00 0.75 H new ATOM 353 N ILE A 23 4.071 5.862 -3.357 1.00 0.51 N ATOM 354 CA ILE A 23 2.930 5.157 -2.859 1.00 0.48 C ATOM 355 C ILE A 23 1.898 4.771 -3.861 1.00 0.48 C ATOM 356 O ILE A 23 1.397 3.649 -3.926 1.00 0.51 O ATOM 357 CB ILE A 23 2.298 5.859 -1.695 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.258 6.150 -0.529 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.048 5.123 -1.184 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.794 4.858 0.085 1.00 0.73 C ATOM 0 H ILE A 23 4.288 6.686 -2.796 1.00 0.51 H new ATOM 0 HA ILE A 23 3.358 4.210 -2.529 1.00 0.48 H new ATOM 0 HB ILE A 23 2.000 6.828 -2.096 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.090 6.759 -0.883 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.740 6.731 0.235 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.624 5.668 -0.341 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.310 5.061 -1.984 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.323 4.118 -0.865 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.469 5.098 0.906 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.963 4.262 0.461 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.333 4.291 -0.674 1.00 0.73 H new ATOM 372 N GLU A 24 1.503 5.757 -4.687 1.00 0.50 N ATOM 373 CA GLU A 24 0.721 5.548 -5.866 1.00 0.53 C ATOM 374 C GLU A 24 1.125 4.426 -6.758 1.00 0.50 C ATOM 375 O GLU A 24 0.236 3.696 -7.193 1.00 0.55 O ATOM 376 CB GLU A 24 0.714 6.867 -6.656 1.00 0.64 C ATOM 377 CG GLU A 24 -0.519 7.123 -7.526 1.00 0.95 C ATOM 378 CD GLU A 24 -0.538 8.266 -8.530 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.493 8.957 -8.745 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.610 8.535 -9.137 1.00 1.56 O ATOM 0 H GLU A 24 1.737 6.737 -4.527 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.266 5.244 -5.516 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.813 7.691 -5.949 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.596 6.889 -7.296 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.716 6.206 -8.081 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.362 7.275 -6.851 1.00 0.95 H new ATOM 387 N ASN A 25 2.414 4.096 -6.949 1.00 0.51 N ATOM 388 CA ASN A 25 2.873 2.971 -7.704 1.00 0.52 C ATOM 389 C ASN A 25 2.512 1.648 -7.123 1.00 0.47 C ATOM 390 O ASN A 25 2.291 0.689 -7.862 1.00 0.53 O ATOM 391 CB ASN A 25 4.409 2.886 -7.733 1.00 0.64 C ATOM 392 CG ASN A 25 4.988 3.973 -8.627 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.323 4.714 -9.350 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.345 4.070 -8.598 1.00 1.57 N ATOM 0 H ASN A 25 3.178 4.644 -6.555 1.00 0.51 H new ATOM 0 HA ASN A 25 2.404 3.140 -8.673 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.804 2.990 -6.722 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.718 1.906 -8.096 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.819 4.761 -9.179 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.888 3.451 -7.995 1.00 1.57 H new ATOM 401 N VAL A 26 2.427 1.505 -5.788 1.00 0.45 N ATOM 402 CA VAL A 26 2.192 0.272 -5.104 1.00 0.44 C ATOM 403 C VAL A 26 0.756 -0.107 -5.227 1.00 0.40 C ATOM 404 O VAL A 26 0.418 -1.256 -5.505 1.00 0.44 O ATOM 405 CB VAL A 26 2.569 0.287 -3.651 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.290 -1.095 -3.036 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.057 0.652 -3.524 1.00 0.62 C ATOM 0 H VAL A 26 2.528 2.295 -5.151 1.00 0.45 H new ATOM 0 HA VAL A 26 2.841 -0.460 -5.586 1.00 0.44 H new ATOM 0 HB VAL A 26 1.977 1.029 -3.114 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.563 -1.086 -1.981 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.230 -1.330 -3.134 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.879 -1.850 -3.557 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.340 0.665 -2.471 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.659 -0.087 -4.052 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.228 1.637 -3.958 1.00 0.62 H new ATOM 417 N LYS A 27 -0.081 0.939 -5.110 1.00 0.40 N ATOM 418 CA LYS A 27 -1.470 0.870 -5.446 1.00 0.41 C ATOM 419 C LYS A 27 -1.757 0.499 -6.860 1.00 0.38 C ATOM 420 O LYS A 27 -2.719 -0.229 -7.101 1.00 0.42 O ATOM 421 CB LYS A 27 -2.193 2.174 -5.068 1.00 0.51 C ATOM 422 CG LYS A 27 -2.188 2.560 -3.588 1.00 0.76 C ATOM 423 CD LYS A 27 -3.106 3.745 -3.278 1.00 0.82 C ATOM 424 CE LYS A 27 -2.915 4.966 -4.180 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.816 6.004 -3.632 1.00 1.11 N ATOM 0 H LYS A 27 0.214 1.855 -4.774 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.862 0.046 -4.849 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.741 2.989 -5.633 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.230 2.095 -5.395 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.498 1.701 -2.993 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.170 2.807 -3.286 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.141 3.413 -3.356 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.946 4.048 -2.243 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.878 5.302 -4.172 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.167 4.733 -5.215 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.109 6.647 -4.395 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.656 5.551 -3.219 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.317 6.544 -2.896 1.00 1.11 H new ATOM 439 N ALA A 28 -0.927 0.854 -7.858 1.00 0.39 N ATOM 440 CA ALA A 28 -1.065 0.381 -9.200 1.00 0.39 C ATOM 441 C ALA A 28 -0.992 -1.104 -9.302 1.00 0.36 C ATOM 442 O ALA A 28 -1.678 -1.598 -10.197 1.00 0.42 O ATOM 443 CB ALA A 28 -0.091 1.026 -10.200 1.00 0.51 C ATOM 0 H ALA A 28 -0.138 1.488 -7.727 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.069 0.698 -9.483 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.262 0.612 -11.194 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.254 2.104 -10.223 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.935 0.821 -9.893 1.00 0.51 H new ATOM 449 N LYS A 29 -0.080 -1.722 -8.530 1.00 0.39 N ATOM 450 CA LYS A 29 0.107 -3.139 -8.529 1.00 0.43 C ATOM 451 C LYS A 29 -1.003 -3.921 -7.914 1.00 0.44 C ATOM 452 O LYS A 29 -1.174 -5.090 -8.258 1.00 0.54 O ATOM 453 CB LYS A 29 1.404 -3.524 -7.798 1.00 0.54 C ATOM 454 CG LYS A 29 2.671 -3.011 -8.486 1.00 0.65 C ATOM 455 CD LYS A 29 4.022 -3.261 -7.812 1.00 1.08 C ATOM 456 CE LYS A 29 5.182 -2.676 -8.620 1.00 1.24 C ATOM 457 NZ LYS A 29 5.371 -3.354 -9.923 1.00 1.44 N ATOM 0 H LYS A 29 0.542 -1.225 -7.892 1.00 0.39 H new ATOM 0 HA LYS A 29 0.145 -3.397 -9.587 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.368 -3.132 -6.782 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.458 -4.610 -7.719 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.710 -3.454 -9.481 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.562 -1.935 -8.621 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.017 -2.821 -6.815 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.172 -4.333 -7.687 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.002 -1.615 -8.790 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.100 -2.754 -8.038 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.256 -3.026 -10.360 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.419 -4.382 -9.776 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.572 -3.131 -10.550 1.00 1.44 H new ATOM 471 N ILE A 30 -1.788 -3.254 -7.050 1.00 0.41 N ATOM 472 CA ILE A 30 -2.965 -3.739 -6.397 1.00 0.44 C ATOM 473 C ILE A 30 -4.117 -3.681 -7.340 1.00 0.45 C ATOM 474 O ILE A 30 -4.929 -4.603 -7.296 1.00 0.56 O ATOM 475 CB ILE A 30 -3.318 -3.094 -5.089 1.00 0.45 C ATOM 476 CG1 ILE A 30 -2.183 -3.125 -4.051 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.621 -3.610 -4.458 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.533 -4.507 -3.993 1.00 1.32 C ATOM 0 H ILE A 30 -1.580 -2.291 -6.786 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.729 -4.766 -6.120 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.484 -2.054 -5.372 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.433 -2.376 -4.305 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -2.576 -2.862 -3.069 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.800 -3.091 -3.516 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.453 -3.425 -5.138 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.536 -4.681 -4.271 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.734 -4.502 -3.252 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.281 -5.250 -3.715 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -1.120 -4.756 -4.970 1.00 1.32 H new ATOM 490 N GLN A 31 -4.134 -2.639 -8.190 1.00 0.41 N ATOM 491 CA GLN A 31 -5.069 -2.485 -9.261 1.00 0.48 C ATOM 492 C GLN A 31 -5.044 -3.610 -10.236 1.00 0.52 C ATOM 493 O GLN A 31 -6.070 -4.205 -10.563 1.00 0.66 O ATOM 494 CB GLN A 31 -5.155 -1.129 -9.980 1.00 0.52 C ATOM 495 CG GLN A 31 -6.478 -1.094 -10.749 1.00 0.70 C ATOM 496 CD GLN A 31 -6.879 0.214 -11.416 1.00 0.97 C ATOM 497 OE1 GLN A 31 -8.052 0.579 -11.464 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.893 0.981 -11.954 1.00 1.43 N ATOM 0 H GLN A 31 -3.467 -1.870 -8.128 1.00 0.41 H new ATOM 0 HA GLN A 31 -6.000 -2.514 -8.695 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.109 -0.311 -9.261 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.313 -1.003 -10.661 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.437 -1.864 -11.520 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.274 -1.375 -10.059 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.923 0.670 -11.909 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.124 1.868 -12.402 1.00 1.43 H new ATOM 507 N ASP A 32 -3.790 -3.900 -10.627 1.00 0.50 N ATOM 508 CA ASP A 32 -3.376 -5.048 -11.373 1.00 0.60 C ATOM 509 C ASP A 32 -3.800 -6.334 -10.752 1.00 0.65 C ATOM 510 O ASP A 32 -4.372 -7.180 -11.438 1.00 0.81 O ATOM 511 CB ASP A 32 -1.841 -5.064 -11.483 1.00 0.67 C ATOM 512 CG ASP A 32 -1.329 -5.975 -12.589 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.749 -5.689 -13.743 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.571 -6.945 -12.317 1.00 1.51 O ATOM 0 H ASP A 32 -3.008 -3.285 -10.404 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.853 -4.968 -12.350 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.485 -4.049 -11.663 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.418 -5.386 -10.531 1.00 0.67 H new ATOM 519 N LYS A 33 -3.534 -6.649 -9.473 1.00 0.62 N ATOM 520 CA LYS A 33 -3.715 -7.979 -8.978 1.00 0.73 C ATOM 521 C LYS A 33 -5.091 -8.261 -8.480 1.00 0.69 C ATOM 522 O LYS A 33 -5.765 -9.233 -8.817 1.00 0.83 O ATOM 523 CB LYS A 33 -2.686 -8.164 -7.852 1.00 0.85 C ATOM 524 CG LYS A 33 -1.241 -8.427 -8.283 1.00 1.31 C ATOM 525 CD LYS A 33 -0.341 -8.813 -7.107 1.00 1.71 C ATOM 526 CE LYS A 33 1.046 -9.359 -7.453 1.00 2.26 C ATOM 527 NZ LYS A 33 1.076 -10.241 -8.641 1.00 2.62 N ATOM 0 H LYS A 33 -3.193 -5.983 -8.780 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.571 -8.683 -9.797 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.699 -7.270 -7.228 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.012 -8.994 -7.226 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.226 -9.225 -9.025 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.841 -7.535 -8.765 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.213 -7.935 -6.474 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.862 -9.562 -6.511 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.722 -8.520 -7.621 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.430 -9.911 -6.595 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.036 -10.621 -8.767 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.407 -11.026 -8.507 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.806 -9.696 -9.485 1.00 2.62 H new ATOM 541 N GLU A 34 -5.556 -7.326 -7.632 1.00 0.63 N ATOM 542 CA GLU A 34 -6.775 -7.439 -6.893 1.00 0.67 C ATOM 543 C GLU A 34 -7.935 -6.762 -7.538 1.00 0.69 C ATOM 544 O GLU A 34 -9.039 -7.304 -7.544 1.00 0.95 O ATOM 545 CB GLU A 34 -6.531 -6.958 -5.453 1.00 0.73 C ATOM 546 CG GLU A 34 -5.260 -7.522 -4.815 1.00 0.83 C ATOM 547 CD GLU A 34 -5.155 -9.038 -4.732 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.157 -9.718 -4.384 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.060 -9.535 -5.109 1.00 1.48 O ATOM 0 H GLU A 34 -5.060 -6.453 -7.454 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.064 -8.490 -6.877 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.475 -5.869 -5.449 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.387 -7.235 -4.838 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.403 -7.151 -5.377 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.178 -7.119 -3.806 1.00 0.83 H new ATOM 556 N GLY A 35 -7.784 -5.529 -8.056 1.00 0.63 N ATOM 557 CA GLY A 35 -8.809 -4.952 -8.870 1.00 0.68 C ATOM 558 C GLY A 35 -9.262 -3.576 -8.522 1.00 0.76 C ATOM 559 O GLY A 35 -9.882 -2.891 -9.334 1.00 1.12 O ATOM 0 H GLY A 35 -6.964 -4.939 -7.914 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.455 -4.940 -9.901 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.676 -5.611 -8.838 1.00 0.68 H new ATOM 563 N ILE A 36 -9.155 -3.214 -7.231 1.00 0.70 N ATOM 564 CA ILE A 36 -9.658 -1.967 -6.747 1.00 0.76 C ATOM 565 C ILE A 36 -9.116 -0.748 -7.412 1.00 0.71 C ATOM 566 O ILE A 36 -7.918 -0.688 -7.683 1.00 0.73 O ATOM 567 CB ILE A 36 -9.414 -1.822 -5.274 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.768 -3.108 -4.507 1.00 0.91 C ATOM 569 CG2 ILE A 36 -10.386 -0.765 -4.721 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.604 -4.034 -4.157 1.00 1.16 C ATOM 0 H ILE A 36 -8.715 -3.793 -6.516 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.720 -2.018 -6.985 1.00 0.76 H new ATOM 0 HB ILE A 36 -8.361 -1.570 -5.147 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.270 -2.826 -3.582 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -10.487 -3.673 -5.101 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -10.223 -0.646 -3.650 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -10.212 0.187 -5.223 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -11.412 -1.086 -4.898 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.980 -4.904 -3.619 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -8.110 -4.360 -5.073 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.890 -3.500 -3.530 1.00 1.16 H new ATOM 582 N PRO A 37 -9.903 0.242 -7.714 1.00 0.75 N ATOM 583 CA PRO A 37 -9.447 1.489 -8.254 1.00 0.79 C ATOM 584 C PRO A 37 -8.490 2.226 -7.381 1.00 0.75 C ATOM 585 O PRO A 37 -8.711 2.244 -6.171 1.00 0.75 O ATOM 586 CB PRO A 37 -10.747 2.286 -8.335 1.00 0.95 C ATOM 587 CG PRO A 37 -11.711 1.262 -8.956 1.00 1.02 C ATOM 588 CD PRO A 37 -11.296 0.060 -8.093 1.00 0.85 C ATOM 0 HA PRO A 37 -8.905 1.339 -9.188 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -11.083 2.620 -7.353 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.642 3.176 -8.955 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.760 1.534 -8.837 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.541 1.104 -10.021 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.927 -0.009 -7.207 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.422 -0.870 -8.648 1.00 0.85 H new ATOM 596 N PRO A 38 -7.387 2.781 -7.786 1.00 0.81 N ATOM 597 CA PRO A 38 -6.435 3.272 -6.832 1.00 0.85 C ATOM 598 C PRO A 38 -6.876 4.535 -6.176 1.00 0.89 C ATOM 599 O PRO A 38 -6.337 4.699 -5.083 1.00 0.99 O ATOM 600 CB PRO A 38 -5.120 3.591 -7.540 1.00 1.01 C ATOM 601 CG PRO A 38 -5.485 3.458 -9.027 1.00 1.25 C ATOM 602 CD PRO A 38 -6.700 2.517 -9.041 1.00 0.98 C ATOM 0 HA PRO A 38 -6.327 2.491 -6.079 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.765 4.593 -7.300 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.330 2.897 -7.255 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.728 4.426 -9.465 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.657 3.046 -9.604 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.346 2.717 -9.896 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.392 1.474 -9.112 1.00 0.98 H new ATOM 610 N ASP A 39 -7.861 5.301 -6.680 1.00 0.96 N ATOM 611 CA ASP A 39 -8.460 6.428 -6.036 1.00 1.11 C ATOM 612 C ASP A 39 -9.154 6.036 -4.777 1.00 1.00 C ATOM 613 O ASP A 39 -9.289 6.747 -3.783 1.00 1.14 O ATOM 614 CB ASP A 39 -9.402 7.152 -7.014 1.00 1.39 C ATOM 615 CG ASP A 39 -9.723 8.500 -6.386 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.778 9.246 -6.016 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.941 8.824 -6.343 1.00 2.23 O ATOM 0 H ASP A 39 -8.265 5.119 -7.599 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.672 7.123 -5.747 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -8.927 7.280 -7.987 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.311 6.573 -7.177 1.00 1.39 H new ATOM 622 N GLN A 40 -9.803 4.860 -4.824 1.00 0.87 N ATOM 623 CA GLN A 40 -10.517 4.250 -3.745 1.00 0.84 C ATOM 624 C GLN A 40 -9.659 3.569 -2.736 1.00 0.67 C ATOM 625 O GLN A 40 -10.034 3.434 -1.572 1.00 0.80 O ATOM 626 CB GLN A 40 -11.410 3.173 -4.382 1.00 0.95 C ATOM 627 CG GLN A 40 -12.657 2.913 -3.535 1.00 1.32 C ATOM 628 CD GLN A 40 -13.176 1.617 -4.143 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.098 0.552 -3.532 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.855 1.834 -5.301 1.00 2.02 N ATOM 0 H GLN A 40 -9.831 4.297 -5.674 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.050 5.039 -3.215 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.706 3.488 -5.382 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.844 2.248 -4.494 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.418 2.802 -2.477 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.383 3.722 -3.615 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.855 2.761 -5.726 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.365 1.070 -5.744 1.00 2.02 H new ATOM 639 N GLN A 41 -8.399 3.255 -3.087 1.00 0.56 N ATOM 640 CA GLN A 41 -7.495 2.643 -2.163 1.00 0.51 C ATOM 641 C GLN A 41 -6.691 3.572 -1.320 1.00 0.49 C ATOM 642 O GLN A 41 -5.991 4.485 -1.754 1.00 0.65 O ATOM 643 CB GLN A 41 -6.449 1.907 -3.018 1.00 0.67 C ATOM 644 CG GLN A 41 -6.938 0.712 -3.841 1.00 0.69 C ATOM 645 CD GLN A 41 -5.759 0.058 -4.546 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.855 -0.384 -3.840 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.736 0.006 -5.905 1.00 0.61 N ATOM 0 H GLN A 41 -8.006 3.425 -4.013 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.112 2.041 -1.495 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.002 2.629 -3.702 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.655 1.560 -2.357 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.433 -0.011 -3.192 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.676 1.040 -4.573 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.514 0.388 -6.443 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.941 -0.415 -6.386 1.00 0.61 H new ATOM 656 N ARG A 42 -6.532 3.246 -0.025 1.00 0.47 N ATOM 657 CA ARG A 42 -5.532 3.909 0.752 1.00 0.55 C ATOM 658 C ARG A 42 -4.563 2.930 1.322 1.00 0.46 C ATOM 659 O ARG A 42 -4.951 1.774 1.486 1.00 0.52 O ATOM 660 CB ARG A 42 -6.144 4.714 1.910 1.00 0.73 C ATOM 661 CG ARG A 42 -6.764 5.988 1.333 1.00 1.04 C ATOM 662 CD ARG A 42 -7.146 7.015 2.402 1.00 1.28 C ATOM 663 NE ARG A 42 -7.896 8.113 1.731 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.330 9.201 2.432 1.00 2.19 C ATOM 665 NH1 ARG A 42 -8.140 9.350 3.776 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.917 10.227 1.751 1.00 2.78 N ATOM 0 H ARG A 42 -7.079 2.544 0.473 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.020 4.592 0.074 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.901 4.123 2.425 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.379 4.963 2.645 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.059 6.443 0.637 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.652 5.724 0.760 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.758 6.551 3.176 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.254 7.406 2.892 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.089 8.051 0.731 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -7.653 8.627 4.305 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -8.485 10.184 4.250 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.024 10.171 0.738 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.249 11.050 2.255 1.00 2.78 H new ATOM 680 N LEU A 43 -3.338 3.338 1.694 1.00 0.46 N ATOM 681 CA LEU A 43 -2.311 2.522 2.266 1.00 0.42 C ATOM 682 C LEU A 43 -1.931 3.000 3.624 1.00 0.43 C ATOM 683 O LEU A 43 -1.671 4.188 3.816 1.00 0.55 O ATOM 684 CB LEU A 43 -1.122 2.223 1.337 1.00 0.55 C ATOM 685 CG LEU A 43 -1.345 1.012 0.414 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.430 0.950 -0.820 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.311 -0.423 0.965 1.00 1.12 C ATOM 0 H LEU A 43 -3.044 4.309 1.587 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.751 1.533 2.396 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.921 3.102 0.725 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.234 2.047 1.944 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.383 1.266 0.202 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.667 0.061 -1.404 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.584 1.838 -1.432 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.611 0.907 -0.499 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.491 -1.129 0.154 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.335 -0.620 1.408 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.084 -0.539 1.725 1.00 1.12 H new ATOM 699 N ILE A 44 -1.997 2.100 4.620 1.00 0.42 N ATOM 700 CA ILE A 44 -1.773 2.491 5.977 1.00 0.46 C ATOM 701 C ILE A 44 -0.509 1.834 6.415 1.00 0.42 C ATOM 702 O ILE A 44 -0.315 0.653 6.135 1.00 0.53 O ATOM 703 CB ILE A 44 -2.967 2.256 6.854 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.307 2.907 6.470 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.505 2.651 8.267 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.491 2.523 7.355 1.00 1.27 C ATOM 0 H ILE A 44 -2.204 1.110 4.489 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.644 3.570 6.064 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.249 1.208 6.748 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.188 3.990 6.498 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.541 2.639 5.440 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.325 2.507 8.971 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.660 2.028 8.561 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.202 3.698 8.271 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.388 3.033 7.004 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.645 1.445 7.309 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.286 2.817 8.384 1.00 1.27 H new ATOM 718 N PHE A 45 0.397 2.526 7.130 1.00 0.42 N ATOM 719 CA PHE A 45 1.569 1.951 7.713 1.00 0.46 C ATOM 720 C PHE A 45 1.853 2.549 9.047 1.00 0.68 C ATOM 721 O PHE A 45 1.952 3.772 9.131 1.00 1.50 O ATOM 722 CB PHE A 45 2.813 2.016 6.811 1.00 0.56 C ATOM 723 CG PHE A 45 4.084 1.541 7.427 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.187 0.188 7.651 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.149 2.372 7.684 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.372 -0.297 8.150 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.358 1.853 8.084 1.00 1.33 C ATOM 728 CZ PHE A 45 6.448 0.520 8.407 1.00 1.02 C ATOM 0 H PHE A 45 0.309 3.526 7.309 1.00 0.42 H new ATOM 0 HA PHE A 45 1.344 0.892 7.836 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.621 1.424 5.916 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.951 3.048 6.488 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.360 -0.474 7.441 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.035 3.440 7.571 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.461 -1.355 8.347 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.230 2.488 8.144 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.347 0.122 8.854 1.00 1.02 H new ATOM 738 N ALA A 46 2.073 1.739 10.100 1.00 0.81 N ATOM 739 CA ALA A 46 2.349 2.053 11.466 1.00 0.96 C ATOM 740 C ALA A 46 1.316 2.853 12.182 1.00 0.97 C ATOM 741 O ALA A 46 1.546 3.507 13.197 1.00 1.21 O ATOM 742 CB ALA A 46 3.702 2.773 11.601 1.00 1.20 C ATOM 0 H ALA A 46 2.053 0.728 9.967 1.00 0.81 H new ATOM 0 HA ALA A 46 2.358 1.076 11.949 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.889 3.001 12.650 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.496 2.129 11.222 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.680 3.699 11.026 1.00 1.20 H new ATOM 748 N GLY A 47 0.087 2.884 11.636 1.00 0.99 N ATOM 749 CA GLY A 47 -1.030 3.650 12.095 1.00 1.10 C ATOM 750 C GLY A 47 -1.275 4.917 11.350 1.00 1.03 C ATOM 751 O GLY A 47 -2.339 5.530 11.425 1.00 1.30 O ATOM 0 H GLY A 47 -0.142 2.330 10.810 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.925 3.031 12.033 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.879 3.889 13.148 1.00 1.10 H new ATOM 755 N LYS A 48 -0.396 5.252 10.390 1.00 0.98 N ATOM 756 CA LYS A 48 -0.555 6.411 9.569 1.00 1.05 C ATOM 757 C LYS A 48 -0.936 6.103 8.162 1.00 0.84 C ATOM 758 O LYS A 48 -0.370 5.311 7.408 1.00 0.81 O ATOM 759 CB LYS A 48 0.810 7.121 9.562 1.00 1.42 C ATOM 760 CG LYS A 48 1.434 7.552 10.891 1.00 1.61 C ATOM 761 CD LYS A 48 0.721 8.768 11.487 1.00 1.87 C ATOM 762 CE LYS A 48 1.626 9.418 12.536 1.00 2.22 C ATOM 763 NZ LYS A 48 0.968 10.647 13.033 1.00 2.55 N ATOM 0 H LYS A 48 0.441 4.708 10.180 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.364 7.017 9.977 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.521 6.461 9.065 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.713 8.011 8.941 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.392 6.723 11.598 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.487 7.787 10.738 1.00 1.61 H new ATOM 0 HD2 LYS A 48 0.481 9.485 10.702 1.00 1.87 H new ATOM 0 HD3 LYS A 48 -0.223 8.465 11.941 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.807 8.727 13.359 1.00 2.22 H new ATOM 0 HE3 LYS A 48 2.596 9.658 12.102 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 1.573 11.100 13.748 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 0.816 11.304 12.241 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 0.052 10.402 13.460 1.00 2.55 H new ATOM 777 N GLN A 49 -1.941 6.817 7.628 1.00 0.84 N ATOM 778 CA GLN A 49 -2.408 6.831 6.276 1.00 0.80 C ATOM 779 C GLN A 49 -1.414 7.664 5.540 1.00 0.72 C ATOM 780 O GLN A 49 -0.967 8.746 5.915 1.00 0.83 O ATOM 781 CB GLN A 49 -3.818 7.438 6.184 1.00 1.03 C ATOM 782 CG GLN A 49 -5.001 6.675 6.784 1.00 1.67 C ATOM 783 CD GLN A 49 -6.227 7.572 6.685 1.00 1.92 C ATOM 784 OE1 GLN A 49 -7.098 7.624 5.817 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.445 8.317 7.801 1.00 2.48 N ATOM 0 H GLN A 49 -2.485 7.454 8.210 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.489 5.827 5.859 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.785 8.418 6.660 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.036 7.603 5.129 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.166 5.741 6.247 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.801 6.414 7.823 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.760 8.316 8.557 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.294 8.877 7.883 1.00 2.48 H new ATOM 794 N LEU A 50 -0.898 7.084 4.441 1.00 0.69 N ATOM 795 CA LEU A 50 0.158 7.641 3.653 1.00 0.66 C ATOM 796 C LEU A 50 -0.243 8.541 2.535 1.00 0.72 C ATOM 797 O LEU A 50 -1.260 8.295 1.887 1.00 0.90 O ATOM 798 CB LEU A 50 0.943 6.463 3.050 1.00 0.65 C ATOM 799 CG LEU A 50 1.357 5.363 4.041 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.956 4.106 3.389 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.414 5.979 4.973 1.00 0.74 C ATOM 0 H LEU A 50 -1.232 6.188 4.086 1.00 0.69 H new ATOM 0 HA LEU A 50 0.729 8.274 4.332 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.337 6.010 2.265 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.842 6.855 2.574 1.00 0.65 H new ATOM 0 HG LEU A 50 0.456 5.030 4.557 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.219 3.385 4.163 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.224 3.663 2.713 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.850 4.378 2.828 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.740 5.232 5.697 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.269 6.311 4.384 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.983 6.831 5.499 1.00 0.74 H new ATOM 813 N GLU A 51 0.570 9.561 2.209 1.00 0.70 N ATOM 814 CA GLU A 51 0.324 10.339 1.034 1.00 0.76 C ATOM 815 C GLU A 51 0.866 9.701 -0.198 1.00 0.77 C ATOM 816 O GLU A 51 2.009 9.263 -0.307 1.00 1.23 O ATOM 817 CB GLU A 51 0.948 11.743 1.096 1.00 0.88 C ATOM 818 CG GLU A 51 0.758 12.711 -0.073 1.00 1.35 C ATOM 819 CD GLU A 51 1.097 14.133 0.351 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.095 14.761 0.782 1.00 1.89 O ATOM 821 OE2 GLU A 51 2.209 14.667 0.090 1.00 1.94 O ATOM 0 H GLU A 51 1.387 9.845 2.750 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.763 10.407 0.994 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.560 12.232 1.990 1.00 0.88 H new ATOM 0 HB3 GLU A 51 2.021 11.616 1.242 1.00 0.88 H new ATOM 0 HG2 GLU A 51 1.394 12.413 -0.907 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.272 12.666 -0.426 1.00 1.35 H new ATOM 828 N ASP A 52 -0.046 9.710 -1.187 1.00 0.66 N ATOM 829 CA ASP A 52 0.121 9.040 -2.439 1.00 0.65 C ATOM 830 C ASP A 52 1.283 9.496 -3.253 1.00 0.60 C ATOM 831 O ASP A 52 2.066 8.699 -3.768 1.00 0.62 O ATOM 832 CB ASP A 52 -1.217 9.173 -3.187 1.00 0.81 C ATOM 833 CG ASP A 52 -2.457 8.858 -2.362 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.439 7.671 -1.940 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.351 9.698 -2.081 1.00 1.44 O ATOM 0 H ASP A 52 -0.935 10.204 -1.111 1.00 0.66 H new ATOM 0 HA ASP A 52 0.371 7.996 -2.249 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.302 10.191 -3.567 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.198 8.510 -4.052 1.00 0.81 H new ATOM 840 N GLY A 53 1.364 10.823 -3.452 1.00 0.68 N ATOM 841 CA GLY A 53 2.488 11.426 -4.098 1.00 0.73 C ATOM 842 C GLY A 53 3.657 11.660 -3.203 1.00 0.72 C ATOM 843 O GLY A 53 4.189 12.769 -3.215 1.00 0.97 O ATOM 0 H GLY A 53 0.643 11.484 -3.162 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.801 10.790 -4.926 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.178 12.379 -4.527 1.00 0.73 H new ATOM 847 N ARG A 54 4.028 10.639 -2.410 1.00 0.64 N ATOM 848 CA ARG A 54 5.229 10.537 -1.641 1.00 0.63 C ATOM 849 C ARG A 54 5.970 9.267 -1.878 1.00 0.59 C ATOM 850 O ARG A 54 5.312 8.347 -2.361 1.00 0.62 O ATOM 851 CB ARG A 54 4.965 10.588 -0.126 1.00 0.69 C ATOM 852 CG ARG A 54 4.497 11.905 0.495 1.00 0.82 C ATOM 853 CD ARG A 54 5.569 12.986 0.646 1.00 1.18 C ATOM 854 NE ARG A 54 4.844 14.098 1.323 1.00 1.50 N ATOM 855 CZ ARG A 54 5.246 14.680 2.490 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.428 14.402 3.113 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.463 15.627 3.086 1.00 2.49 N ATOM 0 H ARG A 54 3.436 9.816 -2.299 1.00 0.64 H new ATOM 0 HA ARG A 54 5.817 11.393 -1.970 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.217 9.830 0.105 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.884 10.293 0.380 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.687 12.305 -0.115 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.080 11.693 1.479 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.413 12.635 1.241 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.967 13.295 -0.320 1.00 1.18 H new ATOM 0 HE ARG A 54 3.991 14.447 0.885 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.071 13.723 2.707 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.668 14.874 3.985 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.578 15.899 2.659 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.764 16.062 3.958 1.00 2.49 H new ATOM 871 N THR A 55 7.293 9.170 -1.660 1.00 0.63 N ATOM 872 CA THR A 55 7.981 7.920 -1.765 1.00 0.61 C ATOM 873 C THR A 55 7.836 7.121 -0.516 1.00 0.59 C ATOM 874 O THR A 55 7.552 7.635 0.566 1.00 0.64 O ATOM 875 CB THR A 55 9.360 7.983 -2.352 1.00 0.68 C ATOM 876 OG1 THR A 55 10.129 8.755 -1.441 1.00 0.75 O ATOM 877 CG2 THR A 55 9.263 8.851 -3.617 1.00 0.76 C ATOM 0 H THR A 55 7.889 9.959 -1.410 1.00 0.63 H new ATOM 0 HA THR A 55 7.471 7.353 -2.543 1.00 0.61 H new ATOM 0 HB THR A 55 9.770 6.992 -2.547 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.048 8.831 -1.772 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.246 8.927 -4.082 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.564 8.395 -4.318 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.910 9.847 -3.349 1.00 0.76 H new ATOM 885 N LEU A 56 8.169 5.834 -0.718 1.00 0.58 N ATOM 886 CA LEU A 56 8.318 4.883 0.340 1.00 0.59 C ATOM 887 C LEU A 56 9.532 5.156 1.159 1.00 0.64 C ATOM 888 O LEU A 56 9.474 4.974 2.374 1.00 0.70 O ATOM 889 CB LEU A 56 8.582 3.469 -0.204 1.00 0.60 C ATOM 890 CG LEU A 56 7.338 3.009 -0.984 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.896 2.068 -2.065 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.307 2.274 -0.111 1.00 1.03 C ATOM 0 H LEU A 56 8.340 5.443 -1.644 1.00 0.58 H new ATOM 0 HA LEU A 56 7.392 4.958 0.910 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.458 3.470 -0.853 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.792 2.781 0.615 1.00 0.60 H new ATOM 0 HG LEU A 56 6.796 3.865 -1.386 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.076 1.688 -2.675 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.596 2.615 -2.697 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.412 1.234 -1.590 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.456 1.978 -0.724 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.766 1.387 0.325 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.967 2.936 0.686 1.00 1.03 H new ATOM 904 N SER A 57 10.555 5.790 0.560 1.00 0.68 N ATOM 905 CA SER A 57 11.694 6.262 1.285 1.00 0.75 C ATOM 906 C SER A 57 11.330 7.352 2.233 1.00 0.76 C ATOM 907 O SER A 57 11.649 7.164 3.406 1.00 0.84 O ATOM 908 CB SER A 57 12.940 6.724 0.511 1.00 0.84 C ATOM 909 OG SER A 57 14.051 7.009 1.350 1.00 1.19 O ATOM 0 H SER A 57 10.593 5.978 -0.442 1.00 0.68 H new ATOM 0 HA SER A 57 11.997 5.338 1.777 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.222 5.951 -0.203 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.691 7.615 -0.065 1.00 0.84 H new ATOM 0 HG SER A 57 14.811 7.295 0.801 1.00 1.19 H new ATOM 915 N ASP A 58 10.546 8.382 1.866 1.00 0.75 N ATOM 916 CA ASP A 58 10.087 9.430 2.723 1.00 0.78 C ATOM 917 C ASP A 58 9.409 9.048 3.994 1.00 0.77 C ATOM 918 O ASP A 58 9.488 9.749 5.002 1.00 0.86 O ATOM 919 CB ASP A 58 9.034 10.177 1.889 1.00 0.83 C ATOM 920 CG ASP A 58 8.975 11.662 2.217 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.882 12.481 1.909 1.00 1.86 O ATOM 922 OD2 ASP A 58 7.957 12.090 2.824 1.00 1.90 O ATOM 0 H ASP A 58 10.212 8.488 0.908 1.00 0.75 H new ATOM 0 HA ASP A 58 10.976 9.977 3.037 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.258 10.051 0.830 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.055 9.731 2.063 1.00 0.83 H new ATOM 927 N TYR A 59 8.736 7.889 4.093 1.00 0.72 N ATOM 928 CA TYR A 59 8.030 7.378 5.228 1.00 0.73 C ATOM 929 C TYR A 59 8.897 6.484 6.048 1.00 0.76 C ATOM 930 O TYR A 59 8.533 6.080 7.152 1.00 0.89 O ATOM 931 CB TYR A 59 6.793 6.559 4.824 1.00 0.73 C ATOM 932 CG TYR A 59 5.622 7.435 4.537 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.917 7.987 5.581 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.475 7.880 3.244 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.074 9.043 5.330 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.521 8.834 2.980 1.00 0.70 C ATOM 937 CZ TYR A 59 3.891 9.457 4.032 1.00 0.74 C ATOM 938 OH TYR A 59 2.926 10.414 3.652 1.00 0.86 O ATOM 0 H TYR A 59 8.682 7.249 3.301 1.00 0.72 H new ATOM 0 HA TYR A 59 7.724 8.254 5.800 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.025 5.961 3.943 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.540 5.863 5.624 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.024 7.597 6.582 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.096 7.488 2.452 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.563 9.540 6.141 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.270 9.091 1.961 1.00 0.70 H new ATOM 0 HH TYR A 59 3.358 11.286 3.538 1.00 0.86 H new ATOM 948 N ASN A 60 10.064 6.116 5.493 1.00 0.74 N ATOM 949 CA ASN A 60 11.044 5.201 5.993 1.00 0.79 C ATOM 950 C ASN A 60 10.567 3.790 6.033 1.00 0.75 C ATOM 951 O ASN A 60 10.747 3.096 7.033 1.00 0.86 O ATOM 952 CB ASN A 60 11.519 5.721 7.361 1.00 0.95 C ATOM 953 CG ASN A 60 12.171 7.093 7.259 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.513 8.125 7.370 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.487 7.094 6.920 1.00 1.83 N ATOM 0 H ASN A 60 10.351 6.504 4.594 1.00 0.74 H new ATOM 0 HA ASN A 60 11.889 5.164 5.305 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.670 5.774 8.043 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.229 5.014 7.790 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.968 7.976 6.746 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.994 6.212 6.840 1.00 1.83 H new ATOM 962 N ILE A 61 10.018 3.323 4.898 1.00 0.67 N ATOM 963 CA ILE A 61 9.542 1.990 4.687 1.00 0.65 C ATOM 964 C ILE A 61 10.636 1.217 4.033 1.00 0.66 C ATOM 965 O ILE A 61 11.184 1.420 2.950 1.00 0.75 O ATOM 966 CB ILE A 61 8.325 2.004 3.811 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.192 2.832 4.438 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.789 0.588 3.541 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.081 3.270 3.485 1.00 0.82 C ATOM 0 H ILE A 61 9.899 3.914 4.075 1.00 0.67 H new ATOM 0 HA ILE A 61 9.265 1.532 5.637 1.00 0.65 H new ATOM 0 HB ILE A 61 8.641 2.455 2.870 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.745 2.249 5.243 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.627 3.722 4.892 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.908 0.648 2.903 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.558 -0.003 3.044 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.521 0.114 4.485 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.337 3.847 4.034 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.504 3.886 2.692 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.608 2.390 3.048 1.00 0.82 H new ATOM 981 N GLN A 62 11.224 0.262 4.775 1.00 0.67 N ATOM 982 CA GLN A 62 12.293 -0.599 4.375 1.00 0.70 C ATOM 983 C GLN A 62 11.807 -1.862 3.751 1.00 0.62 C ATOM 984 O GLN A 62 10.600 -2.042 3.592 1.00 0.64 O ATOM 985 CB GLN A 62 13.120 -0.955 5.622 1.00 0.85 C ATOM 986 CG GLN A 62 13.656 0.311 6.292 1.00 1.27 C ATOM 987 CD GLN A 62 14.328 -0.140 7.581 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.545 -0.297 7.653 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.549 -0.367 8.673 1.00 2.16 N ATOM 0 H GLN A 62 10.926 0.078 5.733 1.00 0.67 H new ATOM 0 HA GLN A 62 12.888 -0.070 3.630 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.503 -1.513 6.327 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.950 -1.604 5.342 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.365 0.824 5.643 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.848 1.013 6.499 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.539 -0.237 8.615 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.975 -0.667 9.550 1.00 2.16 H new ATOM 998 N LYS A 63 12.663 -2.851 3.438 1.00 0.64 N ATOM 999 CA LYS A 63 12.235 -4.119 2.933 1.00 0.62 C ATOM 1000 C LYS A 63 11.370 -4.829 3.915 1.00 0.59 C ATOM 1001 O LYS A 63 11.427 -4.516 5.103 1.00 0.66 O ATOM 1002 CB LYS A 63 13.430 -5.000 2.535 1.00 0.74 C ATOM 1003 CG LYS A 63 14.350 -5.570 3.618 1.00 0.89 C ATOM 1004 CD LYS A 63 15.418 -6.493 3.029 1.00 1.11 C ATOM 1005 CE LYS A 63 16.345 -7.173 4.039 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.671 -7.738 5.228 1.00 2.12 N ATOM 0 H LYS A 63 13.675 -2.768 3.538 1.00 0.64 H new ATOM 0 HA LYS A 63 11.646 -3.925 2.037 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.037 -5.842 1.966 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.051 -4.417 1.855 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.832 -4.752 4.153 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.755 -6.121 4.347 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.920 -7.266 2.444 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.029 -5.914 2.337 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.885 -7.973 3.532 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.088 -6.448 4.372 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.280 -8.462 5.661 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.490 -6.980 5.917 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.769 -8.170 4.943 1.00 2.12 H new ATOM 1020 N GLU A 64 10.673 -5.894 3.475 1.00 0.57 N ATOM 1021 CA GLU A 64 9.912 -6.783 4.295 1.00 0.58 C ATOM 1022 C GLU A 64 8.943 -6.200 5.266 1.00 0.56 C ATOM 1023 O GLU A 64 8.730 -6.758 6.341 1.00 0.70 O ATOM 1024 CB GLU A 64 10.854 -7.817 4.933 1.00 0.72 C ATOM 1025 CG GLU A 64 11.770 -8.544 3.945 1.00 0.96 C ATOM 1026 CD GLU A 64 12.580 -9.672 4.566 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.968 -10.661 5.054 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.827 -9.495 4.597 1.00 1.69 O ATOM 0 H GLU A 64 10.640 -6.147 2.488 1.00 0.57 H new ATOM 0 HA GLU A 64 9.217 -7.261 3.604 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.471 -7.315 5.678 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.254 -8.557 5.463 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.164 -8.949 3.135 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.454 -7.821 3.501 1.00 0.96 H new ATOM 1035 N SER A 65 8.382 -5.014 4.974 1.00 0.51 N ATOM 1036 CA SER A 65 7.514 -4.224 5.791 1.00 0.51 C ATOM 1037 C SER A 65 6.072 -4.532 5.578 1.00 0.43 C ATOM 1038 O SER A 65 5.704 -5.045 4.522 1.00 0.50 O ATOM 1039 CB SER A 65 7.799 -2.755 5.434 1.00 0.65 C ATOM 1040 OG SER A 65 7.866 -2.567 4.028 1.00 1.04 O ATOM 0 H SER A 65 8.555 -4.565 4.075 1.00 0.51 H new ATOM 0 HA SER A 65 7.709 -4.441 6.841 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.018 -2.120 5.851 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.739 -2.444 5.889 1.00 0.65 H new ATOM 0 HG SER A 65 8.769 -2.280 3.779 1.00 1.04 H new ATOM 1046 N THR A 66 5.229 -4.424 6.622 1.00 0.45 N ATOM 1047 CA THR A 66 3.841 -4.726 6.467 1.00 0.45 C ATOM 1048 C THR A 66 2.927 -3.549 6.486 1.00 0.43 C ATOM 1049 O THR A 66 2.695 -2.958 7.540 1.00 0.58 O ATOM 1050 CB THR A 66 3.389 -5.649 7.560 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.218 -6.801 7.535 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.010 -6.258 7.255 1.00 0.78 C ATOM 0 H THR A 66 5.504 -4.132 7.560 1.00 0.45 H new ATOM 0 HA THR A 66 3.775 -5.176 5.476 1.00 0.45 H new ATOM 0 HB THR A 66 3.400 -5.070 8.483 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.941 -7.419 8.244 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.717 -6.921 8.069 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.274 -5.460 7.154 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.060 -6.825 6.326 1.00 0.78 H new ATOM 1060 N LEU A 67 2.532 -3.087 5.287 1.00 0.38 N ATOM 1061 CA LEU A 67 1.596 -2.048 4.982 1.00 0.38 C ATOM 1062 C LEU A 67 0.228 -2.640 5.008 1.00 0.37 C ATOM 1063 O LEU A 67 0.060 -3.847 4.840 1.00 0.50 O ATOM 1064 CB LEU A 67 1.686 -1.598 3.514 1.00 0.46 C ATOM 1065 CG LEU A 67 2.983 -0.802 3.294 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.984 -1.732 2.589 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.853 0.555 2.581 1.00 1.31 C ATOM 0 H LEU A 67 2.915 -3.491 4.433 1.00 0.38 H new ATOM 0 HA LEU A 67 1.796 -1.240 5.686 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.665 -2.466 2.856 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.823 -0.983 3.259 1.00 0.46 H new ATOM 0 HG LEU A 67 3.334 -0.498 4.280 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.918 -1.198 2.417 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.174 -2.603 3.215 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.570 -2.055 1.634 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.838 1.013 2.489 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.428 0.405 1.589 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.201 1.209 3.160 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.766 -1.765 5.240 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.100 -2.269 5.353 1.00 0.37 C ATOM 1081 C HIS A 68 -2.995 -1.550 4.404 1.00 0.35 C ATOM 1082 O HIS A 68 -3.185 -0.340 4.515 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.615 -2.043 6.785 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.795 -2.662 7.877 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.719 -2.063 8.500 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.924 -3.887 8.453 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.240 -2.994 9.367 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.995 -4.072 9.457 1.00 1.51 N ATOM 0 H HIS A 68 -0.658 -0.756 5.345 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.097 -3.334 5.120 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.674 -0.970 6.965 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.630 -2.434 6.852 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.660 -4.622 8.162 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.673 -2.863 9.929 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.912 -4.852 10.109 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.657 -2.227 3.449 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.543 -1.676 2.472 1.00 0.38 C ATOM 1098 C LEU A 69 -5.891 -1.562 3.098 1.00 0.41 C ATOM 1099 O LEU A 69 -6.459 -2.522 3.615 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.781 -2.572 1.246 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.537 -1.883 0.097 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.728 -0.820 -0.666 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.347 -2.872 -0.757 1.00 1.14 C ATOM 0 H LEU A 69 -3.564 -3.238 3.354 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.083 -0.741 2.152 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.818 -2.922 0.874 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.342 -3.453 1.558 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.298 -1.262 0.570 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.345 -0.391 -1.456 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.421 -0.033 0.023 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.844 -1.282 -1.106 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.860 -2.331 -1.552 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.675 -3.610 -1.195 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.082 -3.377 -0.130 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.529 -0.383 2.978 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.917 -0.192 3.260 1.00 0.56 C ATOM 1117 C VAL A 70 -8.668 0.403 2.119 1.00 0.55 C ATOM 1118 O VAL A 70 -8.264 1.281 1.358 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.194 0.700 4.433 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.722 0.042 5.741 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.490 2.058 4.273 1.00 0.97 C ATOM 0 H VAL A 70 -6.059 0.469 2.673 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.250 -1.208 3.473 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.272 0.859 4.474 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.933 0.706 6.579 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.249 -0.901 5.884 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.650 -0.146 5.687 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.708 2.685 5.138 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.414 1.903 4.199 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.849 2.550 3.369 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.900 -0.096 1.911 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.818 0.367 0.917 1.00 0.84 C ATOM 1133 C LEU A 71 -11.541 1.601 1.337 1.00 0.85 C ATOM 1134 O LEU A 71 -12.167 1.602 2.396 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.621 -0.803 0.323 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.873 -2.140 0.199 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.868 -3.185 -0.333 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.643 -2.129 -0.724 1.00 2.78 C ATOM 0 H LEU A 71 -10.275 -0.864 2.467 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.280 0.745 0.047 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.506 -0.960 0.940 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.971 -0.512 -0.668 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.489 -2.367 1.194 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.366 -4.148 -0.432 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.702 -3.281 0.362 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.242 -2.869 -1.307 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.191 -3.121 -0.739 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.948 -1.854 -1.734 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.917 -1.405 -0.354 1.00 2.78 H new