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 7 THR OG1 : rot 180:sc= 0.431 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00354 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00668) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.26 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 1.2 (180deg=0.0443) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.0624 USER MOD Single : A 25 ASN : amide:sc= -0.315 K(o=-0.31,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.91 (180deg=1.79) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.79 (180deg=1.66) USER MOD Single : A 31 GLN : amide:sc= -0.82 K(o=-0.82,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= 0.0074 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.8) USER MOD Single : A 41 GLN : amide:sc= 0.408 K(o=0.41,f=-0.62) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 55 THR OG1 : rot -160:sc= 0.11 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.304 USER MOD Single : A 60 ASN : amide:sc= -0.581 K(o=-0.58,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0419 K(o=-0.042,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.13) USER MOD Single : A 65 SER OG : rot -141:sc= 0.0127 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.923 -4.374 -3.885 1.00 0.78 N ATOM 2 CA MET A 1 12.695 -5.014 -2.570 1.00 0.70 C ATOM 3 C MET A 1 11.327 -5.565 -2.362 1.00 0.62 C ATOM 4 O MET A 1 10.289 -5.025 -2.743 1.00 0.68 O ATOM 5 CB MET A 1 13.049 -4.077 -1.402 1.00 0.75 C ATOM 6 CG MET A 1 12.308 -2.739 -1.352 1.00 0.79 C ATOM 7 SD MET A 1 12.963 -1.634 -0.067 1.00 1.10 S ATOM 8 CE MET A 1 11.501 -0.560 -0.139 1.00 0.84 C ATOM 0 H1 MET A 1 13.756 -3.753 -3.829 1.00 0.78 H new ATOM 0 H2 MET A 1 13.085 -5.107 -4.604 1.00 0.78 H new ATOM 0 H3 MET A 1 12.088 -3.811 -4.147 1.00 0.78 H new ATOM 0 HA MET A 1 13.374 -5.867 -2.583 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.859 -4.608 -0.469 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.119 -3.873 -1.440 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.383 -2.248 -2.322 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.249 -2.920 -1.167 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.629 0.275 0.550 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.379 -0.179 -1.153 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.616 -1.131 0.143 1.00 0.84 H new ATOM 20 N GLN A 2 11.238 -6.639 -1.560 1.00 0.59 N ATOM 21 CA GLN A 2 9.979 -7.261 -1.289 1.00 0.56 C ATOM 22 C GLN A 2 9.385 -6.726 -0.031 1.00 0.50 C ATOM 23 O GLN A 2 9.971 -6.875 1.040 1.00 0.60 O ATOM 24 CB GLN A 2 10.209 -8.770 -1.099 1.00 0.71 C ATOM 25 CG GLN A 2 8.940 -9.623 -1.066 1.00 1.15 C ATOM 26 CD GLN A 2 9.276 -11.106 -0.991 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.064 -11.727 0.050 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.770 -11.687 -2.116 1.00 1.72 N ATOM 0 H GLN A 2 12.036 -7.077 -1.099 1.00 0.59 H new ATOM 0 HA GLN A 2 9.304 -7.061 -2.121 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.848 -9.128 -1.906 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.755 -8.924 -0.168 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.331 -9.341 -0.207 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.344 -9.427 -1.957 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.927 -11.126 -2.953 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.983 -12.684 -2.123 1.00 1.72 H new ATOM 37 N ILE A 3 8.141 -6.227 -0.145 1.00 0.44 N ATOM 38 CA ILE A 3 7.319 -5.820 0.952 1.00 0.42 C ATOM 39 C ILE A 3 5.995 -6.504 0.952 1.00 0.40 C ATOM 40 O ILE A 3 5.551 -7.044 -0.059 1.00 0.50 O ATOM 41 CB ILE A 3 7.160 -4.330 1.013 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.458 -3.685 -0.194 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.526 -3.647 1.197 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.940 -2.289 0.149 1.00 0.72 C ATOM 0 H ILE A 3 7.686 -6.101 -1.049 1.00 0.44 H new ATOM 0 HA ILE A 3 7.841 -6.131 1.857 1.00 0.42 H new ATOM 0 HB ILE A 3 6.507 -4.172 1.871 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.153 -3.622 -1.031 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.628 -4.315 -0.515 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.390 -2.566 1.239 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.983 -3.991 2.125 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.175 -3.899 0.358 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.449 -1.859 -0.724 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.226 -2.357 0.970 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.775 -1.654 0.446 1.00 0.72 H new ATOM 56 N PHE A 4 5.312 -6.440 2.109 1.00 0.37 N ATOM 57 CA PHE A 4 4.044 -7.081 2.270 1.00 0.38 C ATOM 58 C PHE A 4 3.025 -6.012 2.463 1.00 0.39 C ATOM 59 O PHE A 4 3.239 -4.871 2.867 1.00 0.60 O ATOM 60 CB PHE A 4 4.012 -8.059 3.456 1.00 0.45 C ATOM 61 CG PHE A 4 5.185 -8.977 3.404 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.121 -10.112 2.630 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.335 -8.626 4.072 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.206 -10.957 2.584 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.381 -9.519 4.071 1.00 1.40 C ATOM 66 CZ PHE A 4 7.281 -10.718 3.407 1.00 0.85 C ATOM 0 H PHE A 4 5.640 -5.942 2.937 1.00 0.37 H new ATOM 0 HA PHE A 4 3.839 -7.678 1.382 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.018 -7.504 4.394 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.088 -8.637 3.434 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.229 -10.338 2.065 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.414 -7.677 4.582 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.213 -11.799 1.908 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.292 -9.275 4.598 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.045 -11.471 3.531 1.00 0.85 H new ATOM 76 N VAL A 5 1.772 -6.416 2.187 1.00 0.35 N ATOM 77 CA VAL A 5 0.590 -5.624 2.335 1.00 0.35 C ATOM 78 C VAL A 5 -0.409 -6.620 2.810 1.00 0.35 C ATOM 79 O VAL A 5 -0.573 -7.705 2.253 1.00 0.46 O ATOM 80 CB VAL A 5 0.092 -5.101 1.019 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.153 -4.223 1.229 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.228 -4.252 0.424 1.00 0.56 C ATOM 0 H VAL A 5 1.573 -7.354 1.839 1.00 0.35 H new ATOM 0 HA VAL A 5 0.763 -4.766 2.984 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.184 -5.921 0.356 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.503 -3.851 0.266 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.940 -4.814 1.697 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.900 -3.381 1.873 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.914 -3.847 -0.538 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.464 -3.433 1.103 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.112 -4.874 0.285 1.00 0.56 H new ATOM 92 N LYS A 6 -1.179 -6.242 3.847 1.00 0.36 N ATOM 93 CA LYS A 6 -2.210 -7.079 4.378 1.00 0.39 C ATOM 94 C LYS A 6 -3.536 -6.448 4.126 1.00 0.46 C ATOM 95 O LYS A 6 -3.762 -5.258 4.346 1.00 0.53 O ATOM 96 CB LYS A 6 -1.986 -7.389 5.867 1.00 0.54 C ATOM 97 CG LYS A 6 -0.727 -8.209 6.157 1.00 1.22 C ATOM 98 CD LYS A 6 -0.887 -9.723 5.997 1.00 1.37 C ATOM 99 CE LYS A 6 -1.539 -10.355 7.228 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.687 -11.816 7.043 1.00 2.09 N ATOM 0 H LYS A 6 -1.085 -5.345 4.323 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.182 -8.042 3.867 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.928 -6.450 6.417 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.853 -7.929 6.248 1.00 0.54 H new ATOM 0 HG2 LYS A 6 0.069 -7.871 5.493 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.402 -7.999 7.176 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.492 -9.934 5.116 1.00 1.37 H new ATOM 0 HD3 LYS A 6 0.090 -10.177 5.829 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.933 -10.154 8.111 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.516 -9.904 7.402 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.131 -12.230 7.888 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.284 -12.002 6.212 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.750 -12.244 6.900 1.00 2.09 H new ATOM 114 N THR A 7 -4.464 -7.268 3.602 1.00 0.58 N ATOM 115 CA THR A 7 -5.769 -6.751 3.329 1.00 0.78 C ATOM 116 C THR A 7 -6.582 -6.888 4.570 1.00 0.94 C ATOM 117 O THR A 7 -6.322 -7.610 5.531 1.00 0.99 O ATOM 118 CB THR A 7 -6.446 -7.303 2.110 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.731 -8.684 2.280 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.616 -7.240 0.817 1.00 0.92 C ATOM 0 H THR A 7 -4.321 -8.252 3.374 1.00 0.58 H new ATOM 0 HA THR A 7 -5.661 -5.700 3.059 1.00 0.78 H new ATOM 0 HB THR A 7 -7.330 -6.673 2.007 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.174 -9.028 1.476 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.192 -7.663 -0.006 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.370 -6.202 0.593 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.696 -7.811 0.947 1.00 0.92 H new ATOM 128 N LEU A 8 -7.730 -6.191 4.645 1.00 1.17 N ATOM 129 CA LEU A 8 -8.717 -6.348 5.667 1.00 1.39 C ATOM 130 C LEU A 8 -9.177 -7.749 5.878 1.00 1.44 C ATOM 131 O LEU A 8 -9.170 -8.298 6.979 1.00 1.60 O ATOM 132 CB LEU A 8 -9.983 -5.532 5.353 1.00 1.66 C ATOM 133 CG LEU A 8 -9.738 -4.028 5.561 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.915 -3.322 4.866 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.649 -3.646 7.048 1.00 2.43 C ATOM 0 H LEU A 8 -7.982 -5.482 3.957 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.207 -6.001 6.566 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.291 -5.714 4.323 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.801 -5.862 5.994 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.778 -3.728 5.140 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.807 -2.243 4.974 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.922 -3.582 3.808 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.852 -3.640 5.324 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.475 -2.574 7.138 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.583 -3.906 7.547 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.826 -4.187 7.514 1.00 2.43 H new ATOM 147 N THR A 9 -9.688 -8.417 4.828 1.00 1.41 N ATOM 148 CA THR A 9 -10.306 -9.707 4.816 1.00 1.51 C ATOM 149 C THR A 9 -9.367 -10.835 5.073 1.00 1.37 C ATOM 150 O THR A 9 -9.841 -11.932 5.366 1.00 1.62 O ATOM 151 CB THR A 9 -11.136 -9.853 3.576 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.277 -9.727 2.452 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.317 -8.870 3.530 1.00 2.08 C ATOM 0 H THR A 9 -9.664 -8.009 3.893 1.00 1.41 H new ATOM 0 HA THR A 9 -10.979 -9.770 5.671 1.00 1.51 H new ATOM 0 HB THR A 9 -11.602 -10.838 3.569 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.800 -9.821 1.629 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.882 -9.022 2.610 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.967 -9.042 4.388 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.941 -7.847 3.560 1.00 2.08 H new ATOM 161 N GLY A 10 -8.053 -10.561 4.992 1.00 1.18 N ATOM 162 CA GLY A 10 -7.001 -11.434 5.411 1.00 1.22 C ATOM 163 C GLY A 10 -5.994 -12.008 4.475 1.00 0.99 C ATOM 164 O GLY A 10 -5.529 -13.133 4.648 1.00 1.31 O ATOM 0 H GLY A 10 -7.706 -9.680 4.613 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.440 -10.896 6.175 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.480 -12.280 5.904 1.00 1.22 H new ATOM 168 N LYS A 11 -5.643 -11.258 3.416 1.00 0.73 N ATOM 169 CA LYS A 11 -4.705 -11.784 2.473 1.00 0.60 C ATOM 170 C LYS A 11 -3.380 -11.101 2.456 1.00 0.51 C ATOM 171 O LYS A 11 -3.407 -9.898 2.713 1.00 0.63 O ATOM 172 CB LYS A 11 -5.332 -11.721 1.069 1.00 0.75 C ATOM 173 CG LYS A 11 -4.463 -12.210 -0.091 1.00 0.87 C ATOM 174 CD LYS A 11 -5.099 -12.701 -1.393 1.00 1.04 C ATOM 175 CE LYS A 11 -5.700 -11.622 -2.297 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.181 -12.090 -3.616 1.00 1.40 N ATOM 0 H LYS A 11 -5.993 -10.321 3.215 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.499 -12.808 2.785 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.250 -12.309 1.079 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.617 -10.688 0.869 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.788 -11.395 -0.352 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.847 -13.024 0.291 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.343 -13.243 -1.961 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.883 -13.416 -1.144 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.533 -11.155 -1.771 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.950 -10.848 -2.457 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.833 -11.451 -4.359 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.827 -13.052 -3.793 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -7.221 -12.097 -3.624 1.00 1.40 H new ATOM 190 N THR A 12 -2.262 -11.783 2.156 1.00 0.49 N ATOM 191 CA THR A 12 -0.997 -11.123 2.047 1.00 0.48 C ATOM 192 C THR A 12 -0.724 -10.883 0.602 1.00 0.52 C ATOM 193 O THR A 12 -0.751 -11.844 -0.166 1.00 0.72 O ATOM 194 CB THR A 12 0.108 -11.992 2.572 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.069 -12.208 3.964 1.00 0.77 O ATOM 196 CG2 THR A 12 1.506 -11.388 2.351 1.00 0.78 C ATOM 0 H THR A 12 -2.232 -12.789 1.989 1.00 0.49 H new ATOM 0 HA THR A 12 -1.034 -10.197 2.620 1.00 0.48 H new ATOM 0 HB THR A 12 0.054 -12.928 2.016 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.654 -12.777 4.301 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.262 -12.063 2.752 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.676 -11.246 1.284 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.572 -10.427 2.860 1.00 0.78 H new ATOM 204 N ILE A 13 -0.421 -9.630 0.221 1.00 0.48 N ATOM 205 CA ILE A 13 -0.047 -9.263 -1.110 1.00 0.55 C ATOM 206 C ILE A 13 1.429 -9.058 -1.098 1.00 0.51 C ATOM 207 O ILE A 13 2.049 -8.310 -0.343 1.00 0.56 O ATOM 208 CB ILE A 13 -0.755 -8.089 -1.720 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.190 -8.053 -1.170 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.699 -8.458 -3.212 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.122 -7.249 -2.075 1.00 1.55 C ATOM 0 H ILE A 13 -0.437 -8.840 0.866 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.363 -10.077 -1.763 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.335 -7.104 -1.517 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.567 -9.071 -1.071 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.186 -7.616 -0.171 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.187 -7.679 -3.798 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.341 -8.550 -3.525 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.212 -9.407 -3.372 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.127 -7.247 -1.653 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.759 -6.224 -2.153 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.146 -7.702 -3.066 1.00 1.55 H new ATOM 223 N THR A 14 2.163 -9.781 -1.962 1.00 0.55 N ATOM 224 CA THR A 14 3.589 -9.685 -1.999 1.00 0.54 C ATOM 225 C THR A 14 3.857 -8.739 -3.119 1.00 0.55 C ATOM 226 O THR A 14 3.437 -9.041 -4.236 1.00 0.72 O ATOM 227 CB THR A 14 4.368 -10.939 -2.265 1.00 0.67 C ATOM 228 OG1 THR A 14 4.136 -11.817 -1.174 1.00 1.08 O ATOM 229 CG2 THR A 14 5.877 -10.645 -2.269 1.00 1.03 C ATOM 0 H THR A 14 1.767 -10.435 -2.638 1.00 0.55 H new ATOM 0 HA THR A 14 3.918 -9.389 -1.003 1.00 0.54 H new ATOM 0 HB THR A 14 4.064 -11.355 -3.225 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.630 -12.651 -1.315 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.427 -11.566 -2.463 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.104 -9.916 -3.047 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.172 -10.244 -1.299 1.00 1.03 H new ATOM 237 N LEU A 15 4.653 -7.668 -2.963 1.00 0.50 N ATOM 238 CA LEU A 15 4.988 -6.722 -3.982 1.00 0.55 C ATOM 239 C LEU A 15 6.444 -6.499 -4.210 1.00 0.52 C ATOM 240 O LEU A 15 7.160 -6.232 -3.246 1.00 0.58 O ATOM 241 CB LEU A 15 4.367 -5.342 -3.707 1.00 0.69 C ATOM 242 CG LEU A 15 2.930 -5.050 -4.170 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.805 -5.848 -3.489 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.573 -3.558 -4.067 1.00 1.55 C ATOM 0 H LEU A 15 5.091 -7.449 -2.068 1.00 0.50 H new ATOM 0 HA LEU A 15 4.577 -7.189 -4.877 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.403 -5.177 -2.630 1.00 0.69 H new ATOM 0 HB3 LEU A 15 5.015 -4.595 -4.165 1.00 0.69 H new ATOM 0 HG LEU A 15 2.967 -5.385 -5.207 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.843 -5.548 -3.905 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.959 -6.913 -3.661 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.815 -5.649 -2.417 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.548 -3.405 -4.406 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.665 -3.233 -3.031 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.252 -2.977 -4.691 1.00 1.55 H new ATOM 256 N GLU A 16 6.907 -6.501 -5.473 1.00 0.59 N ATOM 257 CA GLU A 16 8.178 -5.940 -5.809 1.00 0.63 C ATOM 258 C GLU A 16 8.151 -4.456 -5.949 1.00 0.65 C ATOM 259 O GLU A 16 7.663 -3.918 -6.941 1.00 0.81 O ATOM 260 CB GLU A 16 8.791 -6.638 -7.034 1.00 0.76 C ATOM 261 CG GLU A 16 9.146 -8.096 -6.742 1.00 1.41 C ATOM 262 CD GLU A 16 9.924 -8.852 -7.810 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.518 -8.822 -9.003 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.911 -9.560 -7.477 1.00 1.92 O ATOM 0 H GLU A 16 6.398 -6.893 -6.265 1.00 0.59 H new ATOM 0 HA GLU A 16 8.836 -6.133 -4.961 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.088 -6.595 -7.866 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.687 -6.102 -7.346 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.725 -8.124 -5.819 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.219 -8.638 -6.553 1.00 1.41 H new ATOM 271 N VAL A 17 8.659 -3.688 -4.969 1.00 0.61 N ATOM 272 CA VAL A 17 8.737 -2.260 -4.987 1.00 0.63 C ATOM 273 C VAL A 17 10.166 -1.838 -5.000 1.00 0.65 C ATOM 274 O VAL A 17 10.998 -2.538 -4.426 1.00 0.76 O ATOM 275 CB VAL A 17 8.062 -1.566 -3.841 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.570 -1.938 -3.820 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.763 -1.540 -2.472 1.00 0.92 C ATOM 0 H VAL A 17 9.039 -4.089 -4.111 1.00 0.61 H new ATOM 0 HA VAL A 17 8.203 -1.963 -5.889 1.00 0.63 H new ATOM 0 HB VAL A 17 8.162 -0.502 -4.057 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.081 -1.433 -2.987 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.105 -1.628 -4.756 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.466 -3.017 -3.702 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.143 -1.001 -1.756 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.917 -2.561 -2.122 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.727 -1.040 -2.566 1.00 0.92 H new ATOM 287 N GLU A 18 10.494 -0.646 -5.529 1.00 0.68 N ATOM 288 CA GLU A 18 11.755 -0.009 -5.305 1.00 0.74 C ATOM 289 C GLU A 18 11.382 1.202 -4.521 1.00 0.71 C ATOM 290 O GLU A 18 10.238 1.636 -4.642 1.00 0.74 O ATOM 291 CB GLU A 18 12.385 0.377 -6.655 1.00 0.88 C ATOM 292 CG GLU A 18 13.087 -0.779 -7.370 1.00 1.16 C ATOM 293 CD GLU A 18 14.417 -1.139 -6.726 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.859 -0.534 -5.714 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.918 -2.180 -7.229 1.00 2.33 O ATOM 0 H GLU A 18 9.866 -0.111 -6.128 1.00 0.68 H new ATOM 0 HA GLU A 18 12.486 -0.634 -4.792 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.607 0.774 -7.307 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.104 1.180 -6.492 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.436 -1.653 -7.366 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.253 -0.510 -8.413 1.00 1.16 H new ATOM 302 N PRO A 19 12.222 1.727 -3.679 1.00 0.74 N ATOM 303 CA PRO A 19 11.826 2.804 -2.819 1.00 0.74 C ATOM 304 C PRO A 19 11.551 4.094 -3.514 1.00 0.70 C ATOM 305 O PRO A 19 11.083 5.004 -2.833 1.00 0.74 O ATOM 306 CB PRO A 19 13.030 2.987 -1.897 1.00 0.86 C ATOM 307 CG PRO A 19 14.268 2.431 -2.619 1.00 0.95 C ATOM 308 CD PRO A 19 13.645 1.434 -3.610 1.00 0.82 C ATOM 0 HA PRO A 19 10.887 2.554 -2.326 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.170 4.041 -1.657 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.871 2.464 -0.954 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.829 3.215 -3.128 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.957 1.943 -1.929 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.106 1.530 -4.593 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.811 0.409 -3.279 1.00 0.82 H new ATOM 316 N SER A 20 11.791 4.110 -4.836 1.00 0.70 N ATOM 317 CA SER A 20 11.640 5.178 -5.775 1.00 0.74 C ATOM 318 C SER A 20 10.312 5.177 -6.452 1.00 0.71 C ATOM 319 O SER A 20 10.058 6.168 -7.133 1.00 0.80 O ATOM 320 CB SER A 20 12.779 5.033 -6.798 1.00 0.89 C ATOM 321 OG SER A 20 12.754 3.700 -7.285 1.00 1.45 O ATOM 0 H SER A 20 12.133 3.269 -5.300 1.00 0.70 H new ATOM 0 HA SER A 20 11.691 6.132 -5.250 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.651 5.742 -7.616 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.740 5.253 -6.334 1.00 0.89 H new ATOM 0 HG SER A 20 13.470 3.578 -7.942 1.00 1.45 H new ATOM 327 N ASP A 21 9.472 4.157 -6.203 1.00 0.70 N ATOM 328 CA ASP A 21 8.124 4.024 -6.662 1.00 0.73 C ATOM 329 C ASP A 21 7.251 4.852 -5.783 1.00 0.64 C ATOM 330 O ASP A 21 7.462 4.846 -4.571 1.00 0.66 O ATOM 331 CB ASP A 21 7.678 2.568 -6.448 1.00 0.87 C ATOM 332 CG ASP A 21 8.087 1.634 -7.578 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.420 2.100 -8.700 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.225 0.391 -7.423 1.00 1.69 O ATOM 0 H ASP A 21 9.761 3.361 -5.634 1.00 0.70 H new ATOM 0 HA ASP A 21 8.058 4.321 -7.709 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.101 2.201 -5.513 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.594 2.541 -6.340 1.00 0.87 H new ATOM 339 N THR A 22 6.265 5.582 -6.336 1.00 0.63 N ATOM 340 CA THR A 22 5.342 6.350 -5.562 1.00 0.58 C ATOM 341 C THR A 22 4.349 5.420 -4.953 1.00 0.53 C ATOM 342 O THR A 22 4.059 4.277 -5.302 1.00 0.58 O ATOM 343 CB THR A 22 4.713 7.486 -6.314 1.00 0.63 C ATOM 344 OG1 THR A 22 4.125 7.017 -7.518 1.00 0.70 O ATOM 345 CG2 THR A 22 5.746 8.543 -6.737 1.00 0.75 C ATOM 0 H THR A 22 6.107 5.639 -7.342 1.00 0.63 H new ATOM 0 HA THR A 22 5.892 6.856 -4.768 1.00 0.58 H new ATOM 0 HB THR A 22 3.977 7.921 -5.638 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.859 7.781 -8.072 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.245 9.346 -7.278 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.233 8.951 -5.851 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.494 8.083 -7.382 1.00 0.75 H new ATOM 353 N ILE A 23 3.472 5.950 -4.081 1.00 0.51 N ATOM 354 CA ILE A 23 2.383 5.260 -3.465 1.00 0.48 C ATOM 355 C ILE A 23 1.329 5.097 -4.505 1.00 0.48 C ATOM 356 O ILE A 23 0.662 4.068 -4.591 1.00 0.51 O ATOM 357 CB ILE A 23 1.843 5.802 -2.174 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.038 5.871 -1.209 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.588 5.190 -1.529 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.710 4.595 -0.707 1.00 0.73 C ATOM 0 H ILE A 23 3.529 6.925 -3.788 1.00 0.51 H new ATOM 0 HA ILE A 23 2.779 4.306 -3.116 1.00 0.48 H new ATOM 0 HB ILE A 23 1.408 6.769 -2.427 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.809 6.469 -1.695 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.709 6.427 -0.331 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.359 5.720 -0.604 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.254 5.278 -2.216 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.768 4.138 -1.309 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.530 4.855 -0.038 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.982 3.988 -0.169 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.098 4.030 -1.555 1.00 0.73 H new ATOM 372 N GLU A 24 1.343 6.044 -5.460 1.00 0.50 N ATOM 373 CA GLU A 24 0.591 6.116 -6.675 1.00 0.53 C ATOM 374 C GLU A 24 0.968 5.023 -7.614 1.00 0.50 C ATOM 375 O GLU A 24 0.111 4.401 -8.238 1.00 0.55 O ATOM 376 CB GLU A 24 0.652 7.508 -7.327 1.00 0.64 C ATOM 377 CG GLU A 24 -0.162 7.703 -8.608 1.00 0.95 C ATOM 378 CD GLU A 24 -0.267 9.153 -9.057 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.950 9.987 -8.405 1.00 1.56 O ATOM 380 OE2 GLU A 24 0.299 9.511 -10.125 1.00 1.62 O ATOM 0 H GLU A 24 1.956 6.854 -5.366 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.456 5.962 -6.413 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.315 8.242 -6.595 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.695 7.735 -7.549 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.291 7.117 -9.408 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.166 7.307 -8.453 1.00 0.95 H new ATOM 387 N ASN A 25 2.262 4.656 -7.568 1.00 0.51 N ATOM 388 CA ASN A 25 2.713 3.519 -8.308 1.00 0.52 C ATOM 389 C ASN A 25 2.485 2.249 -7.565 1.00 0.47 C ATOM 390 O ASN A 25 2.108 1.218 -8.118 1.00 0.53 O ATOM 391 CB ASN A 25 4.229 3.648 -8.544 1.00 0.64 C ATOM 392 CG ASN A 25 4.609 2.769 -9.727 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.114 1.650 -9.642 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.099 3.199 -10.911 1.00 1.57 N ATOM 0 H ASN A 25 2.983 5.136 -7.030 1.00 0.51 H new ATOM 0 HA ASN A 25 2.154 3.491 -9.243 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.495 4.686 -8.743 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.779 3.343 -7.653 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.134 2.594 -11.731 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.681 4.127 -10.979 1.00 1.57 H new ATOM 401 N VAL A 26 2.567 2.164 -6.224 1.00 0.45 N ATOM 402 CA VAL A 26 2.340 1.008 -5.412 1.00 0.44 C ATOM 403 C VAL A 26 0.910 0.616 -5.550 1.00 0.40 C ATOM 404 O VAL A 26 0.544 -0.552 -5.668 1.00 0.44 O ATOM 405 CB VAL A 26 2.898 1.174 -4.030 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.335 0.115 -3.069 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.432 1.263 -4.093 1.00 0.62 C ATOM 0 H VAL A 26 2.814 2.977 -5.660 1.00 0.45 H new ATOM 0 HA VAL A 26 2.907 0.143 -5.757 1.00 0.44 H new ATOM 0 HB VAL A 26 2.568 2.120 -3.600 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.759 0.263 -2.076 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.250 0.210 -3.018 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.596 -0.880 -3.431 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.831 1.384 -3.086 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.832 0.350 -4.535 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.722 2.118 -4.703 1.00 0.62 H new ATOM 417 N LYS A 27 -0.038 1.567 -5.613 1.00 0.40 N ATOM 418 CA LYS A 27 -1.432 1.379 -5.873 1.00 0.41 C ATOM 419 C LYS A 27 -1.712 0.772 -7.204 1.00 0.38 C ATOM 420 O LYS A 27 -2.465 -0.197 -7.288 1.00 0.42 O ATOM 421 CB LYS A 27 -2.361 2.559 -5.544 1.00 0.51 C ATOM 422 CG LYS A 27 -2.328 3.075 -4.104 1.00 0.76 C ATOM 423 CD LYS A 27 -3.293 4.203 -3.736 1.00 0.82 C ATOM 424 CE LYS A 27 -3.052 4.788 -2.343 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.134 5.770 -2.112 1.00 1.11 N ATOM 0 H LYS A 27 0.191 2.550 -5.470 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.707 0.638 -5.122 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.110 3.386 -6.208 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.384 2.263 -5.777 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.526 2.233 -3.440 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.315 3.417 -3.892 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.206 4.999 -4.475 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.315 3.828 -3.791 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.069 4.005 -1.584 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.074 5.266 -2.286 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.961 6.273 -1.218 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.156 6.453 -2.896 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.047 5.275 -2.059 1.00 1.11 H new ATOM 439 N ALA A 28 -1.127 1.239 -8.323 1.00 0.39 N ATOM 440 CA ALA A 28 -1.170 0.638 -9.620 1.00 0.39 C ATOM 441 C ALA A 28 -0.735 -0.783 -9.528 1.00 0.36 C ATOM 442 O ALA A 28 -1.279 -1.643 -10.221 1.00 0.42 O ATOM 443 CB ALA A 28 -0.289 1.397 -10.627 1.00 0.51 C ATOM 0 H ALA A 28 -0.583 2.102 -8.318 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.198 0.685 -9.981 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.348 0.911 -11.601 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.639 2.426 -10.714 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.745 1.393 -10.281 1.00 0.51 H new ATOM 449 N LYS A 29 0.275 -1.214 -8.751 1.00 0.39 N ATOM 450 CA LYS A 29 0.762 -2.534 -8.497 1.00 0.43 C ATOM 451 C LYS A 29 -0.236 -3.443 -7.868 1.00 0.44 C ATOM 452 O LYS A 29 -0.299 -4.592 -8.302 1.00 0.54 O ATOM 453 CB LYS A 29 2.054 -2.584 -7.663 1.00 0.54 C ATOM 454 CG LYS A 29 3.335 -2.062 -8.317 1.00 0.65 C ATOM 455 CD LYS A 29 4.394 -2.011 -7.214 1.00 1.08 C ATOM 456 CE LYS A 29 5.531 -1.039 -7.537 1.00 1.24 C ATOM 457 NZ LYS A 29 6.583 -1.701 -8.339 1.00 1.44 N ATOM 0 H LYS A 29 0.825 -0.533 -8.228 1.00 0.39 H new ATOM 0 HA LYS A 29 0.981 -2.892 -9.503 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.887 -2.015 -6.748 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.224 -3.619 -7.368 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.651 -2.717 -9.129 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.176 -1.074 -8.748 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.923 -1.716 -6.276 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.805 -3.009 -7.063 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.137 -0.182 -8.084 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.961 -0.656 -6.611 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.415 -1.080 -8.401 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.853 -2.597 -7.885 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.222 -1.893 -9.295 1.00 1.44 H new ATOM 471 N ILE A 30 -1.090 -2.970 -6.942 1.00 0.41 N ATOM 472 CA ILE A 30 -2.204 -3.653 -6.361 1.00 0.44 C ATOM 473 C ILE A 30 -3.380 -3.686 -7.275 1.00 0.45 C ATOM 474 O ILE A 30 -4.143 -4.647 -7.352 1.00 0.56 O ATOM 475 CB ILE A 30 -2.507 -3.040 -5.026 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.367 -3.093 -3.995 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.862 -3.583 -4.543 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.733 -2.402 -2.682 1.00 1.32 C ATOM 0 H ILE A 30 -0.990 -2.026 -6.569 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.947 -4.700 -6.204 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.591 -1.961 -5.154 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.110 -4.133 -3.795 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.479 -2.621 -4.415 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.102 -3.150 -3.572 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.638 -3.317 -5.261 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.808 -4.668 -4.453 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.894 -2.468 -1.990 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.963 -1.354 -2.874 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.604 -2.890 -2.244 1.00 1.32 H new ATOM 490 N GLN A 31 -3.635 -2.671 -8.120 1.00 0.41 N ATOM 491 CA GLN A 31 -4.635 -2.680 -9.144 1.00 0.48 C ATOM 492 C GLN A 31 -4.537 -3.703 -10.223 1.00 0.52 C ATOM 493 O GLN A 31 -5.510 -4.326 -10.644 1.00 0.66 O ATOM 494 CB GLN A 31 -4.810 -1.363 -9.917 1.00 0.52 C ATOM 495 CG GLN A 31 -6.032 -1.252 -10.831 1.00 0.70 C ATOM 496 CD GLN A 31 -5.968 0.127 -11.471 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.893 0.724 -11.514 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.100 0.687 -11.975 1.00 1.43 N ATOM 0 H GLN A 31 -3.114 -1.795 -8.087 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.473 -2.907 -8.485 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.853 -0.549 -9.194 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.918 -1.205 -10.523 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.021 -2.033 -11.591 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.954 -1.374 -10.263 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.983 0.179 -11.932 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.066 1.615 -12.397 1.00 1.43 H new ATOM 507 N ASP A 32 -3.250 -3.955 -10.518 1.00 0.50 N ATOM 508 CA ASP A 32 -2.863 -5.056 -11.346 1.00 0.60 C ATOM 509 C ASP A 32 -3.105 -6.388 -10.724 1.00 0.65 C ATOM 510 O ASP A 32 -3.348 -7.374 -11.419 1.00 0.81 O ATOM 511 CB ASP A 32 -1.390 -4.891 -11.756 1.00 0.67 C ATOM 512 CG ASP A 32 -0.951 -5.814 -12.884 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.472 -5.629 -14.017 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.013 -6.588 -12.557 1.00 1.55 O ATOM 0 H ASP A 32 -2.470 -3.391 -10.180 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.500 -5.035 -12.231 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.222 -3.858 -12.060 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.759 -5.073 -10.886 1.00 0.67 H new ATOM 519 N LYS A 33 -3.125 -6.483 -9.383 1.00 0.62 N ATOM 520 CA LYS A 33 -3.203 -7.748 -8.720 1.00 0.73 C ATOM 521 C LYS A 33 -4.651 -7.926 -8.418 1.00 0.69 C ATOM 522 O LYS A 33 -5.237 -8.952 -8.757 1.00 0.83 O ATOM 523 CB LYS A 33 -2.324 -7.917 -7.470 1.00 0.85 C ATOM 524 CG LYS A 33 -0.815 -7.727 -7.636 1.00 1.31 C ATOM 525 CD LYS A 33 0.013 -7.911 -6.362 1.00 1.71 C ATOM 526 CE LYS A 33 1.533 -7.903 -6.534 1.00 2.26 C ATOM 527 NZ LYS A 33 1.994 -9.211 -7.053 1.00 2.62 N ATOM 0 H LYS A 33 -3.087 -5.680 -8.755 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.795 -8.521 -9.372 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.671 -7.210 -6.717 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.495 -8.917 -7.071 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.457 -8.432 -8.387 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.633 -6.726 -8.026 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.256 -7.120 -5.662 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.274 -8.856 -5.901 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.825 -7.108 -7.220 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.014 -7.692 -5.579 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.616 -9.663 -6.353 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.172 -9.823 -7.231 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.518 -9.067 -7.940 1.00 2.62 H new ATOM 541 N GLU A 34 -5.307 -7.024 -7.666 1.00 0.63 N ATOM 542 CA GLU A 34 -6.628 -7.198 -7.146 1.00 0.67 C ATOM 543 C GLU A 34 -7.722 -6.666 -8.006 1.00 0.69 C ATOM 544 O GLU A 34 -8.734 -7.335 -8.204 1.00 0.95 O ATOM 545 CB GLU A 34 -6.655 -6.720 -5.684 1.00 0.73 C ATOM 546 CG GLU A 34 -5.744 -7.539 -4.769 1.00 0.83 C ATOM 547 CD GLU A 34 -6.219 -8.974 -4.593 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.257 -9.316 -3.964 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.532 -9.874 -5.145 1.00 1.48 O ATOM 0 H GLU A 34 -4.895 -6.128 -7.408 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.860 -8.263 -7.159 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.354 -5.673 -5.644 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.677 -6.772 -5.310 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.734 -7.543 -5.179 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.689 -7.057 -3.793 1.00 0.83 H new ATOM 556 N GLY A 35 -7.610 -5.455 -8.582 1.00 0.63 N ATOM 557 CA GLY A 35 -8.613 -4.949 -9.467 1.00 0.68 C ATOM 558 C GLY A 35 -9.185 -3.669 -8.965 1.00 0.76 C ATOM 559 O GLY A 35 -9.827 -2.926 -9.706 1.00 1.12 O ATOM 0 H GLY A 35 -6.822 -4.825 -8.434 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.183 -4.794 -10.456 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.408 -5.686 -9.577 1.00 0.68 H new ATOM 563 N ILE A 36 -8.845 -3.350 -7.703 1.00 0.70 N ATOM 564 CA ILE A 36 -9.336 -2.243 -6.944 1.00 0.76 C ATOM 565 C ILE A 36 -8.816 -0.977 -7.533 1.00 0.71 C ATOM 566 O ILE A 36 -7.598 -0.992 -7.700 1.00 0.73 O ATOM 567 CB ILE A 36 -8.954 -2.359 -5.498 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.067 -3.786 -4.936 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.874 -1.457 -4.658 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.341 -4.113 -3.633 1.00 1.16 C ATOM 0 H ILE A 36 -8.176 -3.910 -7.175 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.425 -2.240 -6.987 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.907 -2.061 -5.439 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.125 -4.002 -4.790 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.704 -4.473 -5.700 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.601 -1.538 -3.606 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.765 -0.422 -4.983 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.910 -1.771 -4.789 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.518 -5.156 -3.370 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.271 -3.948 -3.761 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.715 -3.469 -2.837 1.00 1.16 H new ATOM 582 N PRO A 37 -9.511 0.072 -7.862 1.00 0.75 N ATOM 583 CA PRO A 37 -8.901 1.186 -8.526 1.00 0.79 C ATOM 584 C PRO A 37 -8.064 1.955 -7.564 1.00 0.75 C ATOM 585 O PRO A 37 -8.428 1.939 -6.389 1.00 0.75 O ATOM 586 CB PRO A 37 -10.121 1.992 -8.968 1.00 0.95 C ATOM 587 CG PRO A 37 -11.227 0.955 -9.222 1.00 1.02 C ATOM 588 CD PRO A 37 -10.947 -0.029 -8.075 1.00 0.85 C ATOM 0 HA PRO A 37 -8.237 0.919 -9.348 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.420 2.705 -8.200 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.907 2.566 -9.869 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.225 1.389 -9.163 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.140 0.486 -10.202 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.503 0.238 -7.176 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.240 -1.045 -8.341 1.00 0.85 H new ATOM 596 N PRO A 38 -7.049 2.701 -7.883 1.00 0.81 N ATOM 597 CA PRO A 38 -6.159 3.294 -6.927 1.00 0.85 C ATOM 598 C PRO A 38 -6.774 4.478 -6.264 1.00 0.89 C ATOM 599 O PRO A 38 -6.214 5.064 -5.339 1.00 0.99 O ATOM 600 CB PRO A 38 -5.034 3.760 -7.849 1.00 1.01 C ATOM 601 CG PRO A 38 -5.617 4.032 -9.243 1.00 1.25 C ATOM 602 CD PRO A 38 -6.674 2.917 -9.272 1.00 0.98 C ATOM 0 HA PRO A 38 -5.869 2.622 -6.119 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.570 4.663 -7.451 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.255 3.000 -7.908 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.051 5.028 -9.333 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.877 3.934 -10.037 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.537 3.210 -9.871 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.272 2.006 -9.716 1.00 0.98 H new ATOM 610 N ASP A 39 -7.916 4.935 -6.810 1.00 0.96 N ATOM 611 CA ASP A 39 -8.859 5.845 -6.240 1.00 1.11 C ATOM 612 C ASP A 39 -9.367 5.456 -4.894 1.00 1.00 C ATOM 613 O ASP A 39 -9.287 6.226 -3.939 1.00 1.14 O ATOM 614 CB ASP A 39 -9.931 6.185 -7.291 1.00 1.39 C ATOM 615 CG ASP A 39 -10.681 7.442 -6.873 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.220 8.290 -6.063 1.00 2.25 O ATOM 617 OD2 ASP A 39 -11.880 7.423 -7.263 1.00 2.23 O ATOM 0 H ASP A 39 -8.204 4.636 -7.742 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.342 6.773 -5.995 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.464 6.335 -8.265 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.627 5.353 -7.396 1.00 1.39 H new ATOM 622 N GLN A 40 -9.979 4.258 -4.893 1.00 0.87 N ATOM 623 CA GLN A 40 -10.614 3.605 -3.791 1.00 0.84 C ATOM 624 C GLN A 40 -9.777 3.140 -2.650 1.00 0.67 C ATOM 625 O GLN A 40 -10.316 2.945 -1.562 1.00 0.80 O ATOM 626 CB GLN A 40 -11.548 2.520 -4.352 1.00 0.95 C ATOM 627 CG GLN A 40 -12.595 3.041 -5.338 1.00 1.32 C ATOM 628 CD GLN A 40 -13.601 2.015 -5.841 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.295 0.832 -5.701 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.783 2.502 -6.307 1.00 2.02 N ATOM 0 H GLN A 40 -10.033 3.697 -5.743 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.170 4.388 -3.275 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.945 1.759 -4.848 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -12.058 2.032 -3.522 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.142 3.855 -4.862 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.077 3.466 -6.198 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.926 3.509 -6.381 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.526 1.860 -6.583 1.00 2.02 H new ATOM 639 N GLN A 41 -8.472 2.896 -2.868 1.00 0.56 N ATOM 640 CA GLN A 41 -7.563 2.267 -1.961 1.00 0.51 C ATOM 641 C GLN A 41 -6.976 3.204 -0.962 1.00 0.49 C ATOM 642 O GLN A 41 -6.520 4.299 -1.290 1.00 0.65 O ATOM 643 CB GLN A 41 -6.317 1.656 -2.625 1.00 0.67 C ATOM 644 CG GLN A 41 -6.703 0.533 -3.590 1.00 0.69 C ATOM 645 CD GLN A 41 -5.467 0.158 -4.395 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.330 0.226 -3.932 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.604 -0.181 -5.705 1.00 0.61 N ATOM 0 H GLN A 41 -8.020 3.159 -3.744 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.205 1.508 -1.514 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.771 2.431 -3.163 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.646 1.267 -1.859 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.076 -0.331 -3.040 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.505 0.859 -4.253 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.533 -0.246 -6.120 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.777 -0.370 -6.272 1.00 0.61 H new ATOM 656 N ARG A 42 -6.932 2.806 0.321 1.00 0.47 N ATOM 657 CA ARG A 42 -6.262 3.508 1.371 1.00 0.55 C ATOM 658 C ARG A 42 -5.200 2.644 1.960 1.00 0.46 C ATOM 659 O ARG A 42 -5.444 1.596 2.557 1.00 0.52 O ATOM 660 CB ARG A 42 -7.160 3.759 2.593 1.00 0.73 C ATOM 661 CG ARG A 42 -8.100 4.955 2.427 1.00 1.04 C ATOM 662 CD ARG A 42 -8.644 5.477 3.758 1.00 1.28 C ATOM 663 NE ARG A 42 -9.514 6.646 3.445 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.717 7.771 4.189 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.396 7.933 5.506 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.249 8.840 3.528 1.00 2.78 N ATOM 0 H ARG A 42 -7.387 1.951 0.642 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.916 4.432 0.907 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.753 2.865 2.787 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.531 3.921 3.469 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.569 5.759 1.917 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.935 4.668 1.787 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.211 4.702 4.274 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.829 5.769 4.420 1.00 1.28 H new ATOM 0 HE ARG A 42 -10.022 6.599 2.562 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.962 7.168 6.023 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.590 8.819 5.973 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.470 8.767 2.535 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.426 9.712 4.027 1.00 2.78 H new ATOM 680 N LEU A 43 -3.940 3.076 1.777 1.00 0.46 N ATOM 681 CA LEU A 43 -2.760 2.440 2.277 1.00 0.42 C ATOM 682 C LEU A 43 -2.431 3.130 3.556 1.00 0.43 C ATOM 683 O LEU A 43 -2.461 4.351 3.693 1.00 0.55 O ATOM 684 CB LEU A 43 -1.574 2.464 1.299 1.00 0.55 C ATOM 685 CG LEU A 43 -1.694 1.440 0.158 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.596 1.633 -0.902 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.562 -0.020 0.625 1.00 1.12 C ATOM 0 H LEU A 43 -3.732 3.922 1.247 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.953 1.377 2.423 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.487 3.463 0.871 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.654 2.273 1.852 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.690 1.619 -0.247 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.717 0.890 -1.690 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.675 2.632 -1.330 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.383 1.514 -0.438 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.657 -0.686 -0.232 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.588 -0.166 1.092 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.348 -0.244 1.347 1.00 1.12 H new ATOM 699 N ILE A 44 -2.052 2.336 4.573 1.00 0.42 N ATOM 700 CA ILE A 44 -1.673 2.715 5.898 1.00 0.46 C ATOM 701 C ILE A 44 -0.452 1.959 6.293 1.00 0.42 C ATOM 702 O ILE A 44 -0.326 0.771 5.998 1.00 0.53 O ATOM 703 CB ILE A 44 -2.819 2.555 6.853 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.058 3.347 6.402 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.527 2.774 8.348 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.328 3.182 7.235 1.00 1.27 C ATOM 0 H ILE A 44 -2.008 1.324 4.451 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.421 3.775 5.928 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.026 1.486 6.795 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.797 4.405 6.388 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.287 3.062 5.375 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.441 2.627 8.923 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.772 2.061 8.679 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.161 3.789 8.502 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.124 3.793 6.810 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.632 2.135 7.231 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.135 3.500 8.260 1.00 1.27 H new ATOM 718 N PHE A 45 0.525 2.633 6.927 1.00 0.42 N ATOM 719 CA PHE A 45 1.628 1.979 7.559 1.00 0.46 C ATOM 720 C PHE A 45 1.953 2.623 8.863 1.00 0.68 C ATOM 721 O PHE A 45 1.938 3.846 8.997 1.00 1.50 O ATOM 722 CB PHE A 45 2.809 1.993 6.574 1.00 0.56 C ATOM 723 CG PHE A 45 4.183 1.873 7.135 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.720 0.632 7.385 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.986 2.953 7.421 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.957 0.472 7.965 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.169 2.821 8.108 1.00 1.33 C ATOM 728 CZ PHE A 45 6.671 1.571 8.381 1.00 1.02 C ATOM 0 H PHE A 45 0.549 3.650 7.002 1.00 0.42 H new ATOM 0 HA PHE A 45 1.381 0.945 7.798 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.664 1.177 5.866 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.760 2.921 6.005 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.152 -0.246 7.117 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.677 3.935 7.095 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.368 -0.518 8.094 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.705 3.700 8.434 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.605 1.455 8.910 1.00 1.02 H new ATOM 738 N ALA A 46 2.364 1.865 9.895 1.00 0.81 N ATOM 739 CA ALA A 46 2.774 2.343 11.179 1.00 0.96 C ATOM 740 C ALA A 46 1.794 3.220 11.880 1.00 0.97 C ATOM 741 O ALA A 46 2.173 4.063 12.693 1.00 1.21 O ATOM 742 CB ALA A 46 4.244 2.783 11.083 1.00 1.20 C ATOM 0 H ALA A 46 2.413 0.848 9.827 1.00 0.81 H new ATOM 0 HA ALA A 46 2.756 1.536 11.911 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.578 3.152 12.053 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.859 1.934 10.786 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.339 3.576 10.341 1.00 1.20 H new ATOM 748 N GLY A 47 0.493 3.040 11.589 1.00 0.99 N ATOM 749 CA GLY A 47 -0.552 3.916 12.020 1.00 1.10 C ATOM 750 C GLY A 47 -0.612 5.173 11.223 1.00 1.03 C ATOM 751 O GLY A 47 -1.528 5.969 11.430 1.00 1.30 O ATOM 0 H GLY A 47 0.156 2.254 11.032 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.508 3.398 11.947 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.403 4.163 13.071 1.00 1.10 H new ATOM 755 N LYS A 48 0.315 5.505 10.306 1.00 0.98 N ATOM 756 CA LYS A 48 0.218 6.634 9.434 1.00 1.05 C ATOM 757 C LYS A 48 -0.528 6.307 8.185 1.00 0.84 C ATOM 758 O LYS A 48 -0.439 5.240 7.580 1.00 0.81 O ATOM 759 CB LYS A 48 1.593 7.277 9.186 1.00 1.42 C ATOM 760 CG LYS A 48 1.745 8.300 8.059 1.00 1.61 C ATOM 761 CD LYS A 48 3.188 8.795 7.930 1.00 1.87 C ATOM 762 CE LYS A 48 3.574 9.672 9.123 1.00 2.22 C ATOM 763 NZ LYS A 48 4.855 10.331 8.787 1.00 2.55 N ATOM 0 H LYS A 48 1.168 4.963 10.167 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.378 7.396 9.936 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.901 7.761 10.113 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.303 6.472 8.996 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.429 7.852 7.117 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.086 9.147 8.246 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.865 7.943 7.866 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.301 9.361 7.006 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.800 10.414 9.321 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.677 9.070 10.026 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.151 10.938 9.578 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.583 9.608 8.615 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.733 10.911 7.932 1.00 2.55 H new ATOM 777 N GLN A 49 -1.372 7.254 7.737 1.00 0.84 N ATOM 778 CA GLN A 49 -2.090 7.165 6.504 1.00 0.80 C ATOM 779 C GLN A 49 -1.361 7.940 5.460 1.00 0.72 C ATOM 780 O GLN A 49 -1.221 9.159 5.530 1.00 0.83 O ATOM 781 CB GLN A 49 -3.500 7.741 6.721 1.00 1.03 C ATOM 782 CG GLN A 49 -4.085 7.138 7.998 1.00 1.67 C ATOM 783 CD GLN A 49 -5.588 7.373 8.046 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.170 8.176 7.318 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.288 6.659 8.968 1.00 2.48 N ATOM 0 H GLN A 49 -1.561 8.113 8.253 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.171 6.129 6.176 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.456 8.827 6.802 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.138 7.510 5.868 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.875 6.069 8.034 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.611 7.586 8.871 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.805 5.993 9.571 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.296 6.789 9.056 1.00 2.48 H new ATOM 794 N LEU A 50 -0.883 7.196 4.448 1.00 0.69 N ATOM 795 CA LEU A 50 -0.041 7.692 3.403 1.00 0.66 C ATOM 796 C LEU A 50 -0.804 8.344 2.302 1.00 0.72 C ATOM 797 O LEU A 50 -1.987 8.054 2.128 1.00 0.90 O ATOM 798 CB LEU A 50 0.655 6.466 2.788 1.00 0.65 C ATOM 799 CG LEU A 50 1.184 5.393 3.753 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.715 4.158 3.006 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.315 6.017 4.586 1.00 0.74 C ATOM 0 H LEU A 50 -1.093 6.202 4.353 1.00 0.69 H new ATOM 0 HA LEU A 50 0.637 8.431 3.830 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.047 5.988 2.105 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.492 6.821 2.187 1.00 0.65 H new ATOM 0 HG LEU A 50 0.364 5.058 4.389 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.079 3.425 3.727 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.912 3.718 2.415 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.531 4.454 2.347 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.708 5.274 5.280 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.113 6.352 3.923 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.927 6.868 5.146 1.00 0.74 H new ATOM 813 N GLU A 51 -0.185 9.206 1.476 1.00 0.70 N ATOM 814 CA GLU A 51 -0.706 9.808 0.288 1.00 0.76 C ATOM 815 C GLU A 51 -0.113 9.422 -1.023 1.00 0.77 C ATOM 816 O GLU A 51 1.055 9.035 -1.037 1.00 1.23 O ATOM 817 CB GLU A 51 -0.565 11.325 0.497 1.00 0.88 C ATOM 818 CG GLU A 51 -1.452 11.810 1.645 1.00 1.35 C ATOM 819 CD GLU A 51 -1.154 13.278 1.914 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.426 14.082 0.983 1.00 1.89 O ATOM 821 OE2 GLU A 51 -0.738 13.609 3.056 1.00 1.94 O ATOM 0 H GLU A 51 0.772 9.509 1.659 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.727 9.442 0.184 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.476 11.570 0.709 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.835 11.848 -0.421 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -2.504 11.680 1.389 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.266 11.218 2.541 1.00 1.35 H new ATOM 828 N ASP A 52 -0.848 9.545 -2.142 1.00 0.66 N ATOM 829 CA ASP A 52 -0.497 8.983 -3.410 1.00 0.65 C ATOM 830 C ASP A 52 0.728 9.461 -4.110 1.00 0.60 C ATOM 831 O ASP A 52 1.621 8.684 -4.442 1.00 0.62 O ATOM 832 CB ASP A 52 -1.627 9.174 -4.435 1.00 0.81 C ATOM 833 CG ASP A 52 -3.008 8.724 -3.981 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.289 7.500 -4.074 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.899 9.577 -3.716 1.00 1.44 O ATOM 0 H ASP A 52 -1.728 10.060 -2.164 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.303 7.955 -3.103 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.678 10.230 -4.701 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.367 8.629 -5.342 1.00 0.81 H new ATOM 840 N GLY A 53 0.876 10.779 -4.335 1.00 0.68 N ATOM 841 CA GLY A 53 2.119 11.289 -4.827 1.00 0.73 C ATOM 842 C GLY A 53 3.174 11.556 -3.810 1.00 0.72 C ATOM 843 O GLY A 53 3.563 12.701 -3.583 1.00 0.97 O ATOM 0 H GLY A 53 0.151 11.480 -4.180 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.516 10.580 -5.553 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.919 12.216 -5.364 1.00 0.73 H new ATOM 847 N ARG A 54 3.595 10.453 -3.166 1.00 0.64 N ATOM 848 CA ARG A 54 4.766 10.478 -2.346 1.00 0.63 C ATOM 849 C ARG A 54 5.464 9.193 -2.631 1.00 0.59 C ATOM 850 O ARG A 54 4.838 8.241 -3.094 1.00 0.62 O ATOM 851 CB ARG A 54 4.290 10.455 -0.883 1.00 0.69 C ATOM 852 CG ARG A 54 3.900 11.864 -0.430 1.00 0.82 C ATOM 853 CD ARG A 54 5.087 12.752 -0.050 1.00 1.18 C ATOM 854 NE ARG A 54 4.528 14.085 0.310 1.00 1.50 N ATOM 855 CZ ARG A 54 5.226 15.027 1.009 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.469 14.782 1.520 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.761 16.309 1.057 1.00 2.49 N ATOM 0 H ARG A 54 3.127 9.548 -3.212 1.00 0.64 H new ATOM 0 HA ARG A 54 5.404 11.343 -2.526 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.437 9.784 -0.781 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.081 10.065 -0.242 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.340 12.348 -1.230 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.230 11.786 0.426 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.637 12.324 0.788 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.787 12.838 -0.881 1.00 1.18 H new ATOM 0 HE ARG A 54 3.575 14.305 0.019 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.906 13.870 1.384 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.961 15.511 2.037 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.898 16.557 0.573 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.276 17.019 1.577 1.00 2.49 H new ATOM 871 N THR A 55 6.792 9.103 -2.436 1.00 0.63 N ATOM 872 CA THR A 55 7.497 7.872 -2.619 1.00 0.61 C ATOM 873 C THR A 55 7.476 7.094 -1.349 1.00 0.59 C ATOM 874 O THR A 55 7.011 7.502 -0.286 1.00 0.64 O ATOM 875 CB THR A 55 8.936 8.093 -2.980 1.00 0.68 C ATOM 876 OG1 THR A 55 9.588 8.933 -2.040 1.00 0.75 O ATOM 877 CG2 THR A 55 8.988 8.746 -4.372 1.00 0.76 C ATOM 0 H THR A 55 7.380 9.886 -2.150 1.00 0.63 H new ATOM 0 HA THR A 55 7.001 7.339 -3.430 1.00 0.61 H new ATOM 0 HB THR A 55 9.451 7.132 -2.978 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.395 9.313 -2.445 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.027 8.916 -4.655 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.516 8.087 -5.101 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.458 9.698 -4.347 1.00 0.76 H new ATOM 885 N LEU A 56 7.930 5.828 -1.351 1.00 0.58 N ATOM 886 CA LEU A 56 8.152 4.924 -0.265 1.00 0.59 C ATOM 887 C LEU A 56 9.330 5.424 0.499 1.00 0.64 C ATOM 888 O LEU A 56 9.365 5.376 1.728 1.00 0.70 O ATOM 889 CB LEU A 56 8.376 3.490 -0.774 1.00 0.60 C ATOM 890 CG LEU A 56 7.237 2.693 -1.435 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.826 1.902 -2.614 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.440 1.765 -0.503 1.00 1.03 C ATOM 0 H LEU A 56 8.173 5.383 -2.236 1.00 0.58 H new ATOM 0 HA LEU A 56 7.276 4.885 0.383 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.195 3.531 -1.492 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.726 2.902 0.074 1.00 0.60 H new ATOM 0 HG LEU A 56 6.499 3.425 -1.762 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.036 1.329 -3.098 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.265 2.594 -3.333 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.595 1.222 -2.248 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.665 1.255 -1.074 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.111 1.028 -0.063 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.979 2.354 0.289 1.00 1.03 H new ATOM 904 N SER A 57 10.312 5.948 -0.256 1.00 0.68 N ATOM 905 CA SER A 57 11.457 6.592 0.307 1.00 0.75 C ATOM 906 C SER A 57 11.243 7.685 1.297 1.00 0.76 C ATOM 907 O SER A 57 11.808 7.740 2.388 1.00 0.84 O ATOM 908 CB SER A 57 12.330 7.250 -0.775 1.00 0.84 C ATOM 909 OG SER A 57 13.601 7.700 -0.330 1.00 1.19 O ATOM 0 H SER A 57 10.311 5.924 -1.276 1.00 0.68 H new ATOM 0 HA SER A 57 11.907 5.744 0.824 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.478 6.536 -1.585 1.00 0.84 H new ATOM 0 HB3 SER A 57 11.787 8.098 -1.192 1.00 0.84 H new ATOM 0 HG SER A 57 14.087 8.102 -1.080 1.00 1.19 H new ATOM 915 N ASP A 58 10.325 8.628 1.019 1.00 0.75 N ATOM 916 CA ASP A 58 9.818 9.700 1.818 1.00 0.78 C ATOM 917 C ASP A 58 9.203 9.215 3.085 1.00 0.77 C ATOM 918 O ASP A 58 9.556 9.554 4.213 1.00 0.86 O ATOM 919 CB ASP A 58 8.752 10.559 1.118 1.00 0.83 C ATOM 920 CG ASP A 58 8.839 12.011 1.569 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.906 12.678 1.527 1.00 1.86 O ATOM 922 OD2 ASP A 58 7.784 12.538 2.014 1.00 1.90 O ATOM 0 H ASP A 58 9.879 8.634 0.102 1.00 0.75 H new ATOM 0 HA ASP A 58 10.702 10.308 2.010 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.885 10.501 0.038 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.760 10.165 1.338 1.00 0.83 H new ATOM 927 N TYR A 59 8.245 8.274 3.005 1.00 0.72 N ATOM 928 CA TYR A 59 7.529 7.814 4.155 1.00 0.73 C ATOM 929 C TYR A 59 8.263 6.869 5.043 1.00 0.76 C ATOM 930 O TYR A 59 7.766 6.486 6.101 1.00 0.89 O ATOM 931 CB TYR A 59 6.268 7.137 3.593 1.00 0.73 C ATOM 932 CG TYR A 59 5.086 8.026 3.413 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.680 8.786 4.484 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.473 8.220 2.197 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.599 9.628 4.369 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.276 8.891 2.099 1.00 0.70 C ATOM 937 CZ TYR A 59 2.941 9.693 3.164 1.00 0.74 C ATOM 938 OH TYR A 59 1.886 10.622 3.027 1.00 0.86 O ATOM 0 H TYR A 59 7.964 7.827 2.132 1.00 0.72 H new ATOM 0 HA TYR A 59 7.333 8.667 4.805 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.515 6.692 2.629 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.988 6.321 4.259 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.213 8.721 5.421 1.00 0.74 H new ATOM 0 HD2 TYR A 59 4.941 7.838 1.302 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.274 10.226 5.208 1.00 0.77 H new ATOM 0 HE2 TYR A 59 2.636 8.793 1.235 1.00 0.70 H new ATOM 0 HH TYR A 59 2.018 11.149 2.211 1.00 0.86 H new ATOM 948 N ASN A 60 9.504 6.486 4.690 1.00 0.74 N ATOM 949 CA ASN A 60 10.348 5.574 5.398 1.00 0.79 C ATOM 950 C ASN A 60 9.823 4.189 5.561 1.00 0.75 C ATOM 951 O ASN A 60 9.899 3.602 6.640 1.00 0.86 O ATOM 952 CB ASN A 60 10.911 6.183 6.693 1.00 0.95 C ATOM 953 CG ASN A 60 11.669 7.495 6.561 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.575 8.475 7.299 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.499 7.525 5.484 1.00 1.83 N ATOM 0 H ASN A 60 9.950 6.842 3.845 1.00 0.74 H new ATOM 0 HA ASN A 60 11.194 5.421 4.728 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.082 6.338 7.384 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.576 5.451 7.151 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.047 8.362 5.285 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.574 6.710 4.875 1.00 1.83 H new ATOM 962 N ILE A 61 9.463 3.502 4.463 1.00 0.67 N ATOM 963 CA ILE A 61 9.054 2.133 4.537 1.00 0.65 C ATOM 964 C ILE A 61 10.139 1.274 3.985 1.00 0.66 C ATOM 965 O ILE A 61 10.594 1.626 2.898 1.00 0.75 O ATOM 966 CB ILE A 61 7.813 1.877 3.736 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.611 2.702 4.225 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.390 0.408 3.559 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.762 2.994 2.988 1.00 0.82 C ATOM 0 H ILE A 61 9.455 3.895 3.522 1.00 0.67 H new ATOM 0 HA ILE A 61 8.850 1.904 5.583 1.00 0.65 H new ATOM 0 HB ILE A 61 8.121 2.210 2.745 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.037 2.150 4.969 1.00 0.70 H new ATOM 0 HG13 ILE A 61 6.940 3.627 4.698 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.480 0.361 2.962 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.184 -0.141 3.054 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.206 -0.038 4.536 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.889 3.580 3.276 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.354 3.555 2.265 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.436 2.055 2.540 1.00 0.82 H new ATOM 981 N GLN A 62 10.628 0.229 4.676 1.00 0.67 N ATOM 982 CA GLN A 62 11.803 -0.466 4.248 1.00 0.70 C ATOM 983 C GLN A 62 11.484 -1.811 3.692 1.00 0.62 C ATOM 984 O GLN A 62 10.291 -2.110 3.735 1.00 0.64 O ATOM 985 CB GLN A 62 12.817 -0.532 5.402 1.00 0.85 C ATOM 986 CG GLN A 62 12.953 0.786 6.168 1.00 1.27 C ATOM 987 CD GLN A 62 14.199 0.854 7.040 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.227 0.258 6.725 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.173 1.805 8.012 1.00 2.16 N ATOM 0 H GLN A 62 10.210 -0.135 5.532 1.00 0.67 H new ATOM 0 HA GLN A 62 12.258 0.091 3.429 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.516 -1.317 6.096 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.792 -0.814 5.004 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.972 1.611 5.456 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.072 0.926 6.795 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.298 2.275 8.242 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.029 2.048 8.511 1.00 2.16 H new ATOM 998 N LYS A 63 12.500 -2.610 3.321 1.00 0.64 N ATOM 999 CA LYS A 63 12.300 -3.974 2.942 1.00 0.62 C ATOM 1000 C LYS A 63 11.676 -4.822 3.996 1.00 0.59 C ATOM 1001 O LYS A 63 11.924 -4.588 5.178 1.00 0.66 O ATOM 1002 CB LYS A 63 13.607 -4.616 2.445 1.00 0.74 C ATOM 1003 CG LYS A 63 14.753 -4.664 3.456 1.00 0.89 C ATOM 1004 CD LYS A 63 15.823 -5.639 2.962 1.00 1.11 C ATOM 1005 CE LYS A 63 15.453 -7.124 2.949 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.505 -7.660 4.328 1.00 2.12 N ATOM 0 H LYS A 63 13.473 -2.306 3.283 1.00 0.64 H new ATOM 0 HA LYS A 63 11.581 -3.933 2.124 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.389 -5.634 2.123 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.947 -4.069 1.566 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.182 -3.670 3.584 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.380 -4.979 4.431 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.103 -5.350 1.949 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.709 -5.515 3.585 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.454 -7.257 2.534 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.141 -7.675 2.307 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.172 -8.645 4.330 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.484 -7.624 4.678 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.896 -7.087 4.946 1.00 2.12 H new ATOM 1020 N GLU A 64 10.851 -5.815 3.619 1.00 0.57 N ATOM 1021 CA GLU A 64 10.285 -6.755 4.536 1.00 0.58 C ATOM 1022 C GLU A 64 9.259 -6.194 5.459 1.00 0.56 C ATOM 1023 O GLU A 64 8.931 -6.736 6.513 1.00 0.70 O ATOM 1024 CB GLU A 64 11.278 -7.647 5.301 1.00 0.72 C ATOM 1025 CG GLU A 64 12.015 -8.676 4.442 1.00 0.96 C ATOM 1026 CD GLU A 64 12.880 -9.661 5.217 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.407 -10.155 6.274 1.00 1.69 O ATOM 1028 OE2 GLU A 64 14.041 -9.899 4.788 1.00 1.71 O ATOM 0 H GLU A 64 10.570 -5.968 2.651 1.00 0.57 H new ATOM 0 HA GLU A 64 9.770 -7.418 3.841 1.00 0.58 H new ATOM 0 HB2 GLU A 64 12.015 -7.009 5.790 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.739 -8.173 6.089 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.281 -9.237 3.864 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.645 -8.146 3.728 1.00 0.96 H new ATOM 1035 N SER A 65 8.704 -5.044 5.035 1.00 0.51 N ATOM 1036 CA SER A 65 7.830 -4.282 5.872 1.00 0.51 C ATOM 1037 C SER A 65 6.407 -4.482 5.477 1.00 0.43 C ATOM 1038 O SER A 65 6.151 -4.933 4.362 1.00 0.50 O ATOM 1039 CB SER A 65 8.160 -2.780 5.841 1.00 0.65 C ATOM 1040 OG SER A 65 7.577 -2.027 6.894 1.00 1.04 O ATOM 0 H SER A 65 8.861 -4.642 4.111 1.00 0.51 H new ATOM 0 HA SER A 65 7.981 -4.644 6.889 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.242 -2.658 5.880 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.827 -2.367 4.889 1.00 0.65 H new ATOM 0 HG SER A 65 7.278 -1.160 6.549 1.00 1.04 H new ATOM 1046 N THR A 66 5.402 -4.170 6.315 1.00 0.45 N ATOM 1047 CA THR A 66 4.045 -4.507 6.017 1.00 0.45 C ATOM 1048 C THR A 66 3.126 -3.336 5.954 1.00 0.43 C ATOM 1049 O THR A 66 2.950 -2.634 6.948 1.00 0.58 O ATOM 1050 CB THR A 66 3.478 -5.310 7.149 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.179 -6.536 7.300 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.030 -5.715 6.827 1.00 0.78 C ATOM 0 H THR A 66 5.530 -3.683 7.202 1.00 0.45 H new ATOM 0 HA THR A 66 4.093 -5.015 5.054 1.00 0.45 H new ATOM 0 HB THR A 66 3.551 -4.693 8.045 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.794 -7.043 8.045 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.623 -6.298 7.653 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.425 -4.820 6.683 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.014 -6.315 5.917 1.00 0.78 H new ATOM 1060 N LEU A 67 2.502 -3.148 4.778 1.00 0.38 N ATOM 1061 CA LEU A 67 1.485 -2.147 4.670 1.00 0.38 C ATOM 1062 C LEU A 67 0.144 -2.738 4.942 1.00 0.37 C ATOM 1063 O LEU A 67 -0.115 -3.923 4.737 1.00 0.50 O ATOM 1064 CB LEU A 67 1.330 -1.446 3.311 1.00 0.46 C ATOM 1065 CG LEU A 67 2.676 -1.186 2.613 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.352 -0.600 1.229 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.577 -0.270 3.460 1.00 1.31 C ATOM 0 H LEU A 67 2.693 -3.672 3.924 1.00 0.38 H new ATOM 0 HA LEU A 67 1.821 -1.406 5.395 1.00 0.38 H new ATOM 0 HB2 LEU A 67 0.703 -2.057 2.662 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.812 -0.498 3.454 1.00 0.46 H new ATOM 0 HG LEU A 67 3.247 -2.107 2.494 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.279 -0.398 0.693 1.00 1.40 H new ATOM 0 HD12 LEU A 67 1.754 -1.314 0.663 1.00 1.40 H new ATOM 0 HD13 LEU A 67 1.793 0.328 1.349 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.520 -0.105 2.939 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.078 0.686 3.618 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.772 -0.741 4.424 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.881 -1.908 5.206 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.232 -2.266 5.506 1.00 0.37 C ATOM 1081 C HIS A 68 -3.203 -1.664 4.549 1.00 0.35 C ATOM 1082 O HIS A 68 -3.373 -0.452 4.438 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.547 -1.778 6.930 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.994 -2.801 7.878 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.628 -2.841 8.074 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.437 -3.954 8.446 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.361 -4.044 8.650 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.433 -4.744 8.967 1.00 1.51 N ATOM 0 H HIS A 68 -0.750 -0.896 5.209 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.331 -3.348 5.424 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.097 -0.802 7.111 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.622 -1.665 7.070 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.481 -4.227 8.486 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.644 -4.396 8.832 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.501 -5.632 9.464 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.870 -2.479 3.712 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.834 -1.995 2.772 1.00 0.38 C ATOM 1098 C LEU A 69 -6.209 -1.892 3.336 1.00 0.41 C ATOM 1099 O LEU A 69 -6.746 -2.861 3.869 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.782 -2.944 1.563 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.577 -2.397 0.366 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.814 -1.295 -0.386 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.994 -3.412 -0.712 1.00 1.14 C ATOM 0 H LEU A 69 -3.738 -3.490 3.687 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.586 -0.973 2.484 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.744 -3.099 1.268 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.181 -3.917 1.849 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.476 -2.035 0.865 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.417 -0.941 -1.222 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.611 -0.466 0.292 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.872 -1.696 -0.761 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.547 -2.900 -1.499 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.105 -3.877 -1.137 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.626 -4.179 -0.264 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.819 -0.693 3.310 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.170 -0.467 3.722 1.00 0.56 C ATOM 1117 C VAL A 70 -8.817 0.227 2.572 1.00 0.55 C ATOM 1118 O VAL A 70 -8.115 0.593 1.632 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.076 0.303 5.006 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.487 0.559 5.560 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.407 -0.501 6.134 1.00 0.97 C ATOM 0 H VAL A 70 -6.351 0.154 2.988 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.782 -1.343 3.939 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.512 1.202 4.760 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.416 1.118 6.493 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.064 1.134 4.835 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.983 -0.394 5.745 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.366 0.106 7.039 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.985 -1.404 6.329 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.395 -0.775 5.835 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.140 0.429 2.440 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.732 1.036 1.288 1.00 0.84 C ATOM 1133 C LEU A 71 -11.500 2.237 1.720 1.00 0.85 C ATOM 1134 O LEU A 71 -11.828 2.393 2.896 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.563 0.077 0.420 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.825 -1.217 0.037 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.760 -2.115 -0.790 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.565 -0.945 -0.802 1.00 2.78 C ATOM 0 H LEU A 71 -10.817 0.163 3.155 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.925 1.340 0.621 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.476 -0.182 0.955 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.863 0.595 -0.491 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.526 -1.701 0.967 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.237 -3.032 -1.062 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.643 -2.362 -0.200 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.063 -1.589 -1.695 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.080 -1.890 -1.047 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.844 -0.432 -1.722 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.877 -0.320 -0.233 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.938 3.047 0.739 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.802 4.167 0.947 1.00 1.10 C ATOM 1152 C ARG A 72 -14.209 3.683 0.884 1.00 1.35 C ATOM 1153 O ARG A 72 -14.520 2.640 0.311 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.552 5.172 -0.191 1.00 1.34 C ATOM 1155 CG ARG A 72 -13.339 6.483 -0.217 1.00 1.65 C ATOM 1156 CD ARG A 72 -12.951 7.417 -1.365 1.00 1.99 C ATOM 1157 NE ARG A 72 -13.280 6.726 -2.643 1.00 2.54 N ATOM 1158 CZ ARG A 72 -12.794 7.223 -3.819 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -11.749 8.100 -3.830 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -13.168 6.673 -5.011 1.00 3.75 N ATOM 0 H ARG A 72 -11.679 2.916 -0.239 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.617 4.640 1.911 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -11.492 5.426 -0.177 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -12.743 4.656 -1.132 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -14.402 6.255 -0.291 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -13.189 7.004 0.729 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -13.492 8.360 -1.290 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -11.888 7.655 -1.322 1.00 1.99 H new ATOM 0 HE ARG A 72 -13.863 5.889 -2.640 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -11.320 8.393 -2.952 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -11.397 8.463 -4.716 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -13.815 5.885 -5.028 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -12.800 7.050 -5.884 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.126 4.409 1.550 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.531 4.230 1.355 1.00 1.93 C ATOM 1176 C LEU A 73 -17.108 5.568 1.667 1.00 2.13 C ATOM 1177 O LEU A 73 -17.863 6.082 0.844 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.049 3.132 2.299 1.00 2.23 C ATOM 1179 CG LEU A 73 -18.557 2.867 2.148 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.945 1.392 1.947 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -19.343 3.561 3.272 1.00 3.14 C ATOM 0 H LEU A 73 -14.889 5.129 2.232 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.802 3.906 0.350 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.503 2.208 2.106 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -16.838 3.418 3.329 1.00 2.23 H new ATOM 0 HG LEU A 73 -18.850 3.321 1.201 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -20.028 1.310 1.851 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.471 1.011 1.042 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.612 0.808 2.805 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -20.407 3.362 3.148 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -19.012 3.178 4.237 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -19.167 4.636 3.229 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.761 6.224 2.788 1.00 2.32 N ATOM 1194 CA ARG A 74 -17.196 7.570 2.993 1.00 2.55 C ATOM 1195 C ARG A 74 -16.292 8.515 2.279 1.00 2.58 C ATOM 1196 O ARG A 74 -16.787 9.479 1.698 1.00 3.08 O ATOM 1197 CB ARG A 74 -17.171 7.729 4.523 1.00 3.29 C ATOM 1198 CG ARG A 74 -17.673 9.089 5.012 1.00 4.01 C ATOM 1199 CD ARG A 74 -17.763 9.361 6.516 1.00 4.67 C ATOM 1200 NE ARG A 74 -18.232 8.110 7.176 1.00 5.36 N ATOM 1201 CZ ARG A 74 -17.891 7.937 8.486 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -17.387 8.962 9.234 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -17.979 6.743 9.141 1.00 6.80 N ATOM 0 H ARG A 74 -16.191 5.833 3.538 1.00 2.32 H new ATOM 0 HA ARG A 74 -18.187 7.788 2.595 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -17.782 6.945 4.970 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -16.151 7.580 4.878 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -17.025 9.851 4.580 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -18.667 9.241 4.592 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -16.791 9.660 6.909 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -18.453 10.181 6.716 1.00 4.67 H new ATOM 0 HE ARG A 74 -18.783 7.415 6.672 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -17.258 9.883 8.815 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -17.140 8.807 10.211 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -18.315 5.915 8.649 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -17.708 6.678 10.122 1.00 6.80 H new ATOM 1217 N GLY A 75 -14.953 8.459 2.392 1.00 2.73 N ATOM 1218 CA GLY A 75 -14.098 9.495 1.903 1.00 3.22 C ATOM 1219 C GLY A 75 -13.884 10.504 2.978 1.00 3.16 C ATOM 1220 O GLY A 75 -14.636 10.595 3.948 1.00 3.57 O ATOM 0 H GLY A 75 -14.456 7.683 2.829 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -13.143 9.075 1.587 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -14.544 9.968 1.028 1.00 3.22 H new ATOM 1224 N GLY A 76 -12.825 11.325 2.854 1.00 3.14 N ATOM 1225 CA GLY A 76 -12.510 12.476 3.641 1.00 3.37 C ATOM 1226 C GLY A 76 -11.379 12.210 4.623 1.00 3.48 C ATOM 1227 O GLY A 76 -10.356 11.566 4.266 1.00 3.87 O ATOM 1228 OXT GLY A 76 -11.542 12.627 5.802 1.00 3.70 O ATOM 0 H GLY A 76 -12.123 11.164 2.131 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -12.231 13.299 2.983 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -13.397 12.793 4.189 1.00 3.37 H new TER 1232 GLY A 76