USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 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 22 THR OG1 : rot -66:sc= 1.21 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.35 K(o=2.6,f=-6.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.32 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -56:sc= 0.371 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 1.06 (180deg=0.733) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -95:sc= 0.2 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.84 (180deg=1.7) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 0.176 (180deg=0.142) USER MOD Single : A 31 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.57) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0305 X(o=-0.031,f=-0.41) USER MOD Single : A 41 GLN : amide:sc= 0.709 K(o=0.71,f=-0.84) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.372 USER MOD Single : A 60 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.4) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.600 -7.126 -5.267 1.00 9.67 N ATOM 2 CA MET A 1 11.438 -7.531 -3.842 1.00 10.38 C ATOM 3 C MET A 1 10.021 -7.740 -3.423 1.00 9.62 C ATOM 4 O MET A 1 9.106 -7.374 -4.193 1.00 9.62 O ATOM 5 CB MET A 1 12.110 -6.492 -2.921 1.00 13.77 C ATOM 6 CG MET A 1 11.405 -5.099 -2.795 1.00 16.29 C ATOM 7 SD MET A 1 12.451 -3.944 -1.957 1.00 17.17 S ATOM 8 CE MET A 1 11.145 -2.720 -1.713 1.00 16.11 C ATOM 0 H1 MET A 1 12.485 -6.591 -5.377 1.00 9.67 H new ATOM 0 H2 MET A 1 11.632 -7.974 -5.868 1.00 9.67 H new ATOM 0 H3 MET A 1 10.797 -6.530 -5.552 1.00 9.67 H new ATOM 0 HA MET A 1 11.926 -8.501 -3.748 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.190 -6.924 -1.923 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.126 -6.327 -3.279 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.157 -4.720 -3.786 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.466 -5.208 -2.252 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.550 -1.856 -1.187 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.756 -2.405 -2.681 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.340 -3.159 -1.124 1.00 16.11 H new ATOM 20 N GLN A 2 9.763 -8.293 -2.189 1.00 9.27 N ATOM 21 CA GLN A 2 8.448 -8.583 -1.685 1.00 9.07 C ATOM 22 C GLN A 2 8.124 -7.684 -0.477 1.00 8.72 C ATOM 23 O GLN A 2 8.995 -7.443 0.407 1.00 8.22 O ATOM 24 CB GLN A 2 8.262 -10.024 -1.128 1.00 14.46 C ATOM 25 CG GLN A 2 8.637 -11.159 -2.143 1.00 17.01 C ATOM 26 CD GLN A 2 8.858 -12.573 -1.522 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.836 -12.757 -0.797 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.945 -13.550 -1.727 1.00 19.49 N ATOM 0 H GLN A 2 10.505 -8.540 -1.534 1.00 9.27 H new ATOM 0 HA GLN A 2 7.807 -8.429 -2.553 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.873 -10.137 -0.232 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.223 -10.153 -0.824 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.846 -11.230 -2.890 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.546 -10.866 -2.668 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.141 -13.378 -2.331 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.060 -14.458 -1.277 1.00 19.49 H new ATOM 37 N ILE A 3 6.846 -7.219 -0.401 1.00 5.87 N ATOM 38 CA ILE A 3 6.334 -6.698 0.851 1.00 5.07 C ATOM 39 C ILE A 3 5.047 -7.408 1.233 1.00 4.01 C ATOM 40 O ILE A 3 4.445 -8.147 0.455 1.00 4.61 O ATOM 41 CB ILE A 3 6.146 -5.141 0.791 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.053 -4.800 -0.280 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.468 -4.373 0.496 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.730 -3.322 -0.402 1.00 10.83 C ATOM 0 H ILE A 3 6.186 -7.203 -1.179 1.00 5.87 H new ATOM 0 HA ILE A 3 7.070 -6.896 1.630 1.00 5.07 H new ATOM 0 HB ILE A 3 5.825 -4.808 1.778 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.387 -5.167 -1.251 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.139 -5.339 -0.032 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.268 -3.302 0.468 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.195 -4.586 1.280 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.868 -4.693 -0.466 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.965 -3.179 -1.165 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.363 -2.950 0.554 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.630 -2.775 -0.683 1.00 10.83 H new ATOM 56 N PHE A 4 4.589 -7.191 2.479 1.00 4.55 N ATOM 57 CA PHE A 4 3.349 -7.721 2.974 1.00 4.68 C ATOM 58 C PHE A 4 2.336 -6.673 3.341 1.00 5.30 C ATOM 59 O PHE A 4 2.726 -5.801 4.086 1.00 5.58 O ATOM 60 CB PHE A 4 3.617 -8.628 4.207 1.00 4.83 C ATOM 61 CG PHE A 4 4.690 -9.700 4.015 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.617 -10.565 2.923 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.871 -9.715 4.775 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.660 -11.490 2.625 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.895 -10.567 4.466 1.00 10.61 C ATOM 66 CZ PHE A 4 6.844 -11.455 3.433 1.00 8.90 C ATOM 0 H PHE A 4 5.094 -6.630 3.165 1.00 4.55 H new ATOM 0 HA PHE A 4 2.920 -8.294 2.152 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.907 -7.995 5.046 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.684 -9.118 4.485 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.746 -10.533 2.285 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.972 -9.044 5.615 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.561 -12.197 1.814 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.789 -10.535 5.071 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.674 -12.115 3.228 1.00 8.90 H new ATOM 76 N VAL A 5 1.067 -6.808 2.938 1.00 4.44 N ATOM 77 CA VAL A 5 0.012 -5.830 3.335 1.00 3.87 C ATOM 78 C VAL A 5 -1.084 -6.484 4.123 1.00 4.93 C ATOM 79 O VAL A 5 -1.776 -7.392 3.612 1.00 6.84 O ATOM 80 CB VAL A 5 -0.613 -5.134 2.091 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.548 -4.040 2.621 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.544 -4.713 1.219 1.00 9.13 C ATOM 0 H VAL A 5 0.735 -7.569 2.345 1.00 4.44 H new ATOM 0 HA VAL A 5 0.504 -5.085 3.960 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.244 -5.750 1.451 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.012 -3.521 1.783 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.322 -4.492 3.242 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.975 -3.329 3.216 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.165 -4.216 0.326 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.185 -4.026 1.772 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.119 -5.592 0.929 1.00 9.13 H new ATOM 92 N LYS A 6 -1.208 -6.020 5.378 1.00 6.04 N ATOM 93 CA LYS A 6 -2.256 -6.437 6.329 1.00 6.12 C ATOM 94 C LYS A 6 -3.460 -5.577 6.215 1.00 6.57 C ATOM 95 O LYS A 6 -3.385 -4.340 6.245 1.00 5.76 O ATOM 96 CB LYS A 6 -1.765 -6.327 7.797 1.00 7.45 C ATOM 97 CG LYS A 6 -0.968 -7.588 8.141 1.00 11.12 C ATOM 98 CD LYS A 6 -0.472 -7.599 9.622 1.00 14.54 C ATOM 99 CE LYS A 6 -1.458 -8.242 10.593 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.925 -8.534 11.968 1.00 20.55 N ATOM 0 H LYS A 6 -0.568 -5.329 5.770 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.495 -7.471 6.080 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.143 -5.441 7.923 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.614 -6.220 8.473 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.589 -8.466 7.963 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.110 -7.664 7.474 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.477 -8.133 9.674 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.279 -6.574 9.939 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.323 -7.586 10.691 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.813 -9.175 10.156 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.673 -8.968 12.545 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.119 -9.188 11.896 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.613 -7.648 12.415 1.00 20.55 H new ATOM 114 N THR A 7 -4.595 -6.227 6.145 1.00 7.41 N ATOM 115 CA THR A 7 -5.943 -5.620 6.068 1.00 7.48 C ATOM 116 C THR A 7 -6.686 -5.708 7.324 1.00 8.75 C ATOM 117 O THR A 7 -6.317 -6.369 8.283 1.00 8.58 O ATOM 118 CB THR A 7 -6.726 -6.109 4.836 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.053 -7.521 4.959 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.758 -6.004 3.632 1.00 9.17 C ATOM 0 H THR A 7 -4.629 -7.246 6.138 1.00 7.41 H new ATOM 0 HA THR A 7 -5.799 -4.550 5.917 1.00 7.48 H new ATOM 0 HB THR A 7 -7.638 -5.522 4.728 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.231 -8.036 5.102 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.265 -6.340 2.727 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.443 -4.968 3.508 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.884 -6.630 3.812 1.00 9.17 H new ATOM 128 N LEU A 8 -7.799 -4.983 7.351 1.00 9.84 N ATOM 129 CA LEU A 8 -8.727 -4.733 8.464 1.00 14.15 C ATOM 130 C LEU A 8 -9.069 -5.946 9.332 1.00 17.37 C ATOM 131 O LEU A 8 -8.969 -5.921 10.548 1.00 17.01 O ATOM 132 CB LEU A 8 -10.090 -4.187 7.915 1.00 16.63 C ATOM 133 CG LEU A 8 -9.997 -2.857 7.078 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.350 -2.463 6.476 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.456 -1.779 8.059 1.00 18.59 C ATOM 0 H LEU A 8 -8.112 -4.502 6.508 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.191 -4.020 9.090 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.546 -4.957 7.292 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.761 -4.020 8.758 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.335 -2.975 6.220 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.240 -1.540 5.907 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.700 -3.257 5.816 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.074 -2.312 7.276 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.367 -0.825 7.539 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.144 -1.672 8.897 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.477 -2.083 8.430 1.00 18.59 H new ATOM 147 N THR A 9 -9.368 -7.076 8.649 1.00 18.33 N ATOM 148 CA THR A 9 -9.719 -8.318 9.385 1.00 19.24 C ATOM 149 C THR A 9 -8.533 -9.309 9.593 1.00 19.48 C ATOM 150 O THR A 9 -8.783 -10.392 10.153 1.00 23.14 O ATOM 151 CB THR A 9 -10.859 -9.067 8.710 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.629 -9.596 7.457 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.073 -8.138 8.604 1.00 19.70 C ATOM 0 H THR A 9 -9.375 -7.157 7.632 1.00 18.33 H new ATOM 0 HA THR A 9 -10.022 -7.961 10.370 1.00 19.24 H new ATOM 0 HB THR A 9 -11.008 -9.932 9.356 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.438 -10.050 7.140 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.895 -8.667 8.121 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.380 -7.825 9.602 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.809 -7.261 8.013 1.00 19.70 H new ATOM 161 N GLY A 10 -7.272 -8.941 9.223 1.00 19.43 N ATOM 162 CA GLY A 10 -6.027 -9.614 9.653 1.00 18.74 C ATOM 163 C GLY A 10 -5.415 -10.418 8.546 1.00 17.62 C ATOM 164 O GLY A 10 -4.298 -11.020 8.656 1.00 19.74 O ATOM 0 H GLY A 10 -7.098 -8.150 8.604 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.311 -8.868 9.998 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.241 -10.266 10.500 1.00 18.74 H new ATOM 168 N LYS A 11 -6.198 -10.476 7.422 1.00 13.56 N ATOM 169 CA LYS A 11 -5.841 -11.088 6.161 1.00 11.91 C ATOM 170 C LYS A 11 -4.590 -10.450 5.562 1.00 10.18 C ATOM 171 O LYS A 11 -4.595 -9.226 5.410 1.00 9.10 O ATOM 172 CB LYS A 11 -7.024 -11.027 5.200 1.00 13.43 C ATOM 173 CG LYS A 11 -6.630 -11.574 3.837 1.00 16.69 C ATOM 174 CD LYS A 11 -7.714 -11.439 2.714 1.00 17.92 C ATOM 175 CE LYS A 11 -7.301 -12.209 1.471 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.221 -11.925 0.358 1.00 21.93 N ATOM 0 H LYS A 11 -7.133 -10.069 7.402 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.600 -12.136 6.340 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.857 -11.603 5.603 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.367 -9.997 5.100 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.726 -11.062 3.508 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.377 -12.628 3.948 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.670 -11.814 3.078 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.858 -10.388 2.465 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.284 -11.936 1.188 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.297 -13.278 1.683 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.859 -12.364 -0.513 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.161 -12.314 0.576 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.295 -10.897 0.223 1.00 21.93 H new ATOM 190 N THR A 12 -3.522 -11.200 5.099 1.00 9.63 N ATOM 191 CA THR A 12 -2.214 -10.642 4.687 1.00 9.85 C ATOM 192 C THR A 12 -1.955 -11.061 3.251 1.00 11.66 C ATOM 193 O THR A 12 -2.009 -12.251 2.873 1.00 12.33 O ATOM 194 CB THR A 12 -0.973 -11.059 5.522 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.282 -10.899 6.898 1.00 10.91 O ATOM 196 CG2 THR A 12 0.206 -10.132 5.198 1.00 9.63 C ATOM 0 H THR A 12 -3.567 -12.215 5.009 1.00 9.63 H new ATOM 0 HA THR A 12 -2.315 -9.567 4.838 1.00 9.85 H new ATOM 0 HB THR A 12 -0.713 -12.092 5.291 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.508 -11.160 7.440 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.074 -10.429 5.786 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.445 -10.204 4.137 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.062 -9.104 5.440 1.00 9.63 H new ATOM 204 N ILE A 13 -1.748 -10.115 2.331 1.00 10.42 N ATOM 205 CA ILE A 13 -1.476 -10.350 0.921 1.00 11.84 C ATOM 206 C ILE A 13 -0.065 -9.853 0.607 1.00 10.55 C ATOM 207 O ILE A 13 0.485 -8.987 1.306 1.00 11.92 O ATOM 208 CB ILE A 13 -2.536 -9.728 -0.072 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.728 -8.258 0.264 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.830 -10.537 0.159 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.468 -7.453 -0.768 1.00 16.46 C ATOM 0 H ILE A 13 -1.768 -9.122 2.565 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.556 -11.424 0.756 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.229 -9.779 -1.117 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.265 -8.186 1.210 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.748 -7.807 0.418 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.615 -10.162 -0.497 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.645 -11.589 -0.060 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.144 -10.432 1.197 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.551 -6.419 -0.432 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.925 -7.485 -1.713 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.465 -7.870 -0.908 1.00 16.46 H new ATOM 223 N THR A 14 0.606 -10.629 -0.310 1.00 9.39 N ATOM 224 CA THR A 14 2.058 -10.541 -0.513 1.00 9.63 C ATOM 225 C THR A 14 2.277 -10.004 -1.878 1.00 11.20 C ATOM 226 O THR A 14 1.808 -10.596 -2.893 1.00 11.63 O ATOM 227 CB THR A 14 2.784 -11.849 -0.368 1.00 10.38 C ATOM 228 OG1 THR A 14 2.651 -12.472 0.883 1.00 16.30 O ATOM 229 CG2 THR A 14 4.256 -11.745 -0.674 1.00 11.66 C ATOM 0 H THR A 14 0.146 -11.315 -0.909 1.00 9.39 H new ATOM 0 HA THR A 14 2.464 -9.896 0.266 1.00 9.63 H new ATOM 0 HB THR A 14 2.283 -12.471 -1.110 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.416 -12.237 1.448 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.723 -12.722 -0.551 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.391 -11.405 -1.701 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.720 -11.033 0.008 1.00 11.66 H new ATOM 237 N LEU A 15 3.046 -8.923 -2.002 1.00 8.29 N ATOM 238 CA LEU A 15 3.220 -8.196 -3.282 1.00 9.03 C ATOM 239 C LEU A 15 4.666 -8.134 -3.778 1.00 8.59 C ATOM 240 O LEU A 15 5.507 -7.859 -3.022 1.00 7.79 O ATOM 241 CB LEU A 15 2.764 -6.697 -3.166 1.00 11.08 C ATOM 242 CG LEU A 15 1.329 -6.480 -2.824 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.947 -5.032 -2.571 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.466 -7.043 -3.871 1.00 15.27 C ATOM 0 H LEU A 15 3.570 -8.518 -1.226 1.00 8.29 H new ATOM 0 HA LEU A 15 2.609 -8.769 -3.979 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.376 -6.208 -2.408 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.971 -6.199 -4.113 1.00 11.08 H new ATOM 0 HG LEU A 15 1.178 -6.998 -1.877 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.114 -4.973 -2.330 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.531 -4.642 -1.737 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.150 -4.441 -3.464 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.579 -6.878 -3.609 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.683 -6.556 -4.822 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.653 -8.113 -3.960 1.00 15.27 H new ATOM 256 N GLU A 16 4.891 -8.401 -5.038 1.00 11.04 N ATOM 257 CA GLU A 16 6.186 -8.089 -5.625 1.00 11.50 C ATOM 258 C GLU A 16 6.323 -6.699 -6.143 1.00 10.13 C ATOM 259 O GLU A 16 5.480 -6.211 -6.868 1.00 9.83 O ATOM 260 CB GLU A 16 6.467 -9.068 -6.728 1.00 17.22 C ATOM 261 CG GLU A 16 7.979 -9.112 -7.072 1.00 23.33 C ATOM 262 CD GLU A 16 8.302 -10.232 -7.998 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.885 -10.166 -9.172 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.968 -11.238 -7.629 1.00 28.90 O ATOM 0 H GLU A 16 4.216 -8.825 -5.674 1.00 11.04 H new ATOM 0 HA GLU A 16 6.913 -8.168 -4.817 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.131 -10.061 -6.430 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.898 -8.792 -7.616 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.276 -8.167 -7.527 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.558 -9.220 -6.155 1.00 23.33 H new ATOM 271 N VAL A 17 7.378 -5.996 -5.729 1.00 8.99 N ATOM 272 CA VAL A 17 7.563 -4.573 -5.927 1.00 8.85 C ATOM 273 C VAL A 17 9.038 -4.193 -6.131 1.00 8.04 C ATOM 274 O VAL A 17 9.928 -5.054 -5.865 1.00 8.99 O ATOM 275 CB VAL A 17 7.112 -3.753 -4.725 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.547 -3.837 -4.504 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.943 -4.052 -3.452 1.00 10.54 C ATOM 0 H VAL A 17 8.154 -6.428 -5.227 1.00 8.99 H new ATOM 0 HA VAL A 17 6.965 -4.353 -6.812 1.00 8.85 H new ATOM 0 HB VAL A 17 7.320 -2.708 -4.954 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.269 -3.238 -3.637 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.034 -3.457 -5.387 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.259 -4.875 -4.336 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.578 -3.440 -2.627 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.845 -5.106 -3.193 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.992 -3.821 -3.639 1.00 10.54 H new ATOM 287 N GLU A 18 9.397 -3.012 -6.698 1.00 7.29 N ATOM 288 CA GLU A 18 10.741 -2.484 -6.726 1.00 7.08 C ATOM 289 C GLU A 18 10.751 -1.371 -5.707 1.00 6.45 C ATOM 290 O GLU A 18 9.720 -0.820 -5.400 1.00 5.28 O ATOM 291 CB GLU A 18 11.071 -1.908 -8.101 1.00 10.28 C ATOM 292 CG GLU A 18 11.262 -2.980 -9.231 1.00 12.65 C ATOM 293 CD GLU A 18 12.219 -4.082 -8.897 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.292 -3.913 -8.275 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.933 -5.235 -9.344 1.00 14.33 O ATOM 0 H GLU A 18 8.721 -2.400 -7.156 1.00 7.29 H new ATOM 0 HA GLU A 18 11.475 -3.261 -6.512 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.273 -1.227 -8.396 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.983 -1.316 -8.023 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.292 -3.419 -9.464 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.609 -2.478 -10.134 1.00 12.65 H new ATOM 302 N PRO A 19 11.922 -0.913 -5.129 1.00 7.24 N ATOM 303 CA PRO A 19 11.922 0.203 -4.207 1.00 7.07 C ATOM 304 C PRO A 19 11.569 1.537 -4.996 1.00 6.65 C ATOM 305 O PRO A 19 11.184 2.518 -4.377 1.00 6.37 O ATOM 306 CB PRO A 19 13.359 0.186 -3.635 1.00 7.61 C ATOM 307 CG PRO A 19 14.199 -0.574 -4.697 1.00 8.16 C ATOM 308 CD PRO A 19 13.207 -1.599 -5.201 1.00 7.49 C ATOM 0 HA PRO A 19 11.183 0.143 -3.408 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.736 1.197 -3.482 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.394 -0.317 -2.669 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.545 0.086 -5.493 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.083 -1.040 -4.262 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.437 -1.909 -6.220 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.214 -2.498 -4.585 1.00 7.49 H new ATOM 316 N SER A 20 11.698 1.567 -6.351 1.00 6.80 N ATOM 317 CA SER A 20 11.461 2.723 -7.315 1.00 6.28 C ATOM 318 C SER A 20 10.066 2.874 -7.755 1.00 8.45 C ATOM 319 O SER A 20 9.626 3.907 -8.337 1.00 7.26 O ATOM 320 CB SER A 20 12.396 2.558 -8.586 1.00 8.57 C ATOM 321 OG SER A 20 12.175 1.305 -9.213 1.00 11.13 O ATOM 0 H SER A 20 11.992 0.730 -6.855 1.00 6.80 H new ATOM 0 HA SER A 20 11.704 3.628 -6.758 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.201 3.364 -9.294 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.441 2.642 -8.288 1.00 8.57 H new ATOM 0 HG SER A 20 12.759 1.223 -9.995 1.00 11.13 H new ATOM 327 N ASP A 21 9.236 1.867 -7.425 1.00 7.50 N ATOM 328 CA ASP A 21 7.808 1.962 -7.616 1.00 7.70 C ATOM 329 C ASP A 21 7.237 3.116 -6.749 1.00 7.08 C ATOM 330 O ASP A 21 7.664 3.361 -5.599 1.00 8.11 O ATOM 331 CB ASP A 21 7.105 0.602 -7.271 1.00 11.00 C ATOM 332 CG ASP A 21 7.349 -0.557 -8.267 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.552 -0.232 -9.475 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.280 -1.718 -7.889 1.00 14.36 O ATOM 0 H ASP A 21 9.548 0.982 -7.025 1.00 7.50 H new ATOM 0 HA ASP A 21 7.608 2.180 -8.665 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.439 0.283 -6.284 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.031 0.777 -7.203 1.00 11.00 H new ATOM 339 N THR A 22 6.189 3.780 -7.322 1.00 5.37 N ATOM 340 CA THR A 22 5.401 4.729 -6.514 1.00 6.01 C ATOM 341 C THR A 22 4.338 3.982 -5.728 1.00 8.01 C ATOM 342 O THR A 22 4.015 2.820 -6.013 1.00 8.11 O ATOM 343 CB THR A 22 4.687 5.914 -7.243 1.00 8.92 C ATOM 344 OG1 THR A 22 3.858 5.429 -8.267 1.00 10.22 O ATOM 345 CG2 THR A 22 5.674 6.940 -7.878 1.00 9.65 C ATOM 0 H THR A 22 5.890 3.677 -8.292 1.00 5.37 H new ATOM 0 HA THR A 22 6.171 5.196 -5.900 1.00 6.01 H new ATOM 0 HB THR A 22 4.112 6.426 -6.471 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.408 5.023 -8.969 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.109 7.734 -8.366 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.304 7.369 -7.099 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.300 6.435 -8.614 1.00 9.65 H new ATOM 353 N ILE A 23 3.750 4.679 -4.703 1.00 8.32 N ATOM 354 CA ILE A 23 2.753 4.058 -3.853 1.00 9.92 C ATOM 355 C ILE A 23 1.543 3.689 -4.617 1.00 10.01 C ATOM 356 O ILE A 23 1.109 2.539 -4.550 1.00 8.71 O ATOM 357 CB ILE A 23 2.361 4.879 -2.550 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.646 5.298 -1.765 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.419 4.048 -1.583 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.378 4.176 -0.960 1.00 12.30 C ATOM 0 H ILE A 23 3.963 5.649 -4.472 1.00 8.32 H new ATOM 0 HA ILE A 23 3.243 3.156 -3.486 1.00 9.92 H new ATOM 0 HB ILE A 23 1.818 5.763 -2.884 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.355 5.723 -2.476 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.375 6.093 -1.070 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.177 4.649 -0.706 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.500 3.785 -2.107 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.931 3.138 -1.270 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.252 4.596 -0.462 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.700 3.762 -0.214 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.694 3.386 -1.642 1.00 12.30 H new ATOM 372 N GLU A 24 1.116 4.586 -5.542 1.00 9.54 N ATOM 373 CA GLU A 24 0.065 4.339 -6.429 1.00 11.81 C ATOM 374 C GLU A 24 0.272 3.217 -7.471 1.00 11.14 C ATOM 375 O GLU A 24 -0.643 2.482 -7.819 1.00 10.62 O ATOM 376 CB GLU A 24 -0.382 5.643 -7.193 1.00 19.24 C ATOM 377 CG GLU A 24 -1.863 5.497 -7.687 1.00 27.76 C ATOM 378 CD GLU A 24 -2.265 6.651 -8.505 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.725 6.716 -9.622 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.102 7.536 -8.109 1.00 36.51 O ATOM 0 H GLU A 24 1.535 5.509 -5.655 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.712 3.981 -5.753 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.293 6.508 -6.535 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.277 5.820 -8.043 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.967 4.581 -8.269 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.529 5.406 -6.829 1.00 27.76 H new ATOM 387 N ASN A 25 1.505 3.010 -7.893 1.00 9.43 N ATOM 388 CA ASN A 25 1.885 1.790 -8.575 1.00 10.96 C ATOM 389 C ASN A 25 1.597 0.515 -7.841 1.00 9.68 C ATOM 390 O ASN A 25 1.274 -0.525 -8.366 1.00 9.33 O ATOM 391 CB ASN A 25 3.276 1.771 -9.244 1.00 16.78 C ATOM 392 CG ASN A 25 3.648 2.858 -10.198 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.640 3.606 -9.997 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.879 3.024 -11.310 1.00 24.70 N ATOM 0 H ASN A 25 2.266 3.679 -7.773 1.00 9.43 H new ATOM 0 HA ASN A 25 1.181 1.822 -9.406 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.021 1.766 -8.448 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.370 0.824 -9.775 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.106 3.756 -11.983 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.076 2.416 -11.470 1.00 24.70 H new ATOM 401 N VAL A 26 1.804 0.491 -6.507 1.00 6.52 N ATOM 402 CA VAL A 26 1.704 -0.744 -5.657 1.00 5.53 C ATOM 403 C VAL A 26 0.245 -0.985 -5.196 1.00 4.42 C ATOM 404 O VAL A 26 -0.220 -2.135 -5.117 1.00 3.40 O ATOM 405 CB VAL A 26 2.609 -0.597 -4.462 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.436 -1.638 -3.380 1.00 7.25 C ATOM 407 CG2 VAL A 26 4.047 -0.517 -5.058 1.00 8.12 C ATOM 0 H VAL A 26 2.047 1.326 -5.974 1.00 6.52 H new ATOM 0 HA VAL A 26 2.013 -1.605 -6.249 1.00 5.53 H new ATOM 0 HB VAL A 26 2.356 0.302 -3.900 1.00 3.86 H new ATOM 0 HG11 VAL A 26 3.135 -1.438 -2.568 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.416 -1.600 -2.998 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.632 -2.628 -3.793 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.770 -0.409 -4.250 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.261 -1.428 -5.616 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.117 0.342 -5.725 1.00 8.12 H new ATOM 417 N LYS A 27 -0.515 0.104 -5.186 1.00 2.64 N ATOM 418 CA LYS A 27 -1.974 0.046 -5.108 1.00 4.14 C ATOM 419 C LYS A 27 -2.623 -0.710 -6.302 1.00 5.58 C ATOM 420 O LYS A 27 -3.653 -1.400 -6.079 1.00 4.11 O ATOM 421 CB LYS A 27 -2.689 1.370 -4.878 1.00 3.97 C ATOM 422 CG LYS A 27 -2.262 2.146 -3.672 1.00 7.45 C ATOM 423 CD LYS A 27 -3.062 3.423 -3.385 1.00 9.02 C ATOM 424 CE LYS A 27 -3.076 4.060 -1.996 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.951 5.242 -2.126 1.00 15.47 N ATOM 0 H LYS A 27 -0.140 1.052 -5.232 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.125 -0.531 -4.195 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.544 1.996 -5.758 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.758 1.174 -4.799 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.329 1.494 -2.801 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.212 2.415 -3.789 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.705 4.184 -4.079 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.099 3.213 -3.648 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.459 3.366 -1.248 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.072 4.345 -1.682 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.078 5.684 -1.193 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.516 5.926 -2.777 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.876 4.949 -2.500 1.00 15.47 H new ATOM 439 N ALA A 28 -2.036 -0.634 -7.514 1.00 6.61 N ATOM 440 CA ALA A 28 -2.504 -1.401 -8.666 1.00 7.74 C ATOM 441 C ALA A 28 -2.470 -2.878 -8.382 1.00 9.17 C ATOM 442 O ALA A 28 -3.282 -3.718 -8.765 1.00 11.45 O ATOM 443 CB ALA A 28 -1.665 -1.003 -9.927 1.00 7.68 C ATOM 0 H ALA A 28 -1.230 -0.041 -7.712 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.547 -1.160 -8.870 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.011 -1.573 -10.789 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.787 0.062 -10.124 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.612 -1.221 -9.747 1.00 7.68 H new ATOM 449 N LYS A 29 -1.368 -3.290 -7.707 1.00 8.96 N ATOM 450 CA LYS A 29 -1.228 -4.728 -7.453 1.00 7.90 C ATOM 451 C LYS A 29 -2.163 -5.268 -6.361 1.00 6.92 C ATOM 452 O LYS A 29 -2.578 -6.430 -6.458 1.00 6.87 O ATOM 453 CB LYS A 29 0.191 -5.032 -6.950 1.00 10.28 C ATOM 454 CG LYS A 29 1.338 -4.645 -7.871 1.00 14.94 C ATOM 455 CD LYS A 29 2.711 -4.449 -7.132 1.00 19.69 C ATOM 456 CE LYS A 29 3.762 -3.833 -8.044 1.00 22.63 C ATOM 457 NZ LYS A 29 4.197 -4.674 -9.145 1.00 24.98 N ATOM 0 H LYS A 29 -0.620 -2.692 -7.355 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.469 -5.202 -8.405 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.332 -4.521 -5.998 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.260 -6.101 -6.751 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.454 -5.415 -8.634 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.080 -3.721 -8.388 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.567 -3.810 -6.261 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.067 -5.412 -6.766 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.365 -2.904 -8.453 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.632 -3.571 -7.443 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.750 -4.106 -9.818 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.787 -5.448 -8.778 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.366 -5.071 -9.628 1.00 24.98 H new ATOM 471 N ILE A 30 -2.537 -4.447 -5.371 1.00 4.57 N ATOM 472 CA ILE A 30 -3.553 -4.742 -4.373 1.00 5.58 C ATOM 473 C ILE A 30 -4.886 -4.902 -5.026 1.00 7.26 C ATOM 474 O ILE A 30 -5.640 -5.848 -4.757 1.00 9.46 O ATOM 475 CB ILE A 30 -3.564 -3.630 -3.292 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.239 -3.680 -2.458 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.785 -3.697 -2.308 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.021 -2.390 -1.596 1.00 2.00 C ATOM 0 H ILE A 30 -2.119 -3.525 -5.245 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.319 -5.685 -3.878 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.653 -2.692 -3.840 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.259 -4.551 -1.803 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.393 -3.808 -3.134 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.715 -2.884 -1.585 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.713 -3.602 -2.872 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.777 -4.652 -1.782 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.088 -2.478 -1.039 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.972 -1.519 -2.250 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.851 -2.274 -0.899 1.00 2.00 H new ATOM 490 N GLN A 31 -5.160 -3.935 -5.956 1.00 7.06 N ATOM 491 CA GLN A 31 -6.328 -3.912 -6.765 1.00 8.67 C ATOM 492 C GLN A 31 -6.470 -5.197 -7.616 1.00 10.90 C ATOM 493 O GLN A 31 -7.570 -5.745 -7.712 1.00 9.63 O ATOM 494 CB GLN A 31 -6.428 -2.730 -7.703 1.00 9.12 C ATOM 495 CG GLN A 31 -7.692 -2.632 -8.626 1.00 10.76 C ATOM 496 CD GLN A 31 -7.843 -1.334 -9.384 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.813 -0.841 -9.883 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.080 -0.830 -9.578 1.00 14.76 N ATOM 0 H GLN A 31 -4.533 -3.151 -6.135 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.134 -3.833 -6.036 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.381 -1.821 -7.103 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.546 -2.735 -8.343 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.660 -3.451 -9.345 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.581 -2.780 -8.013 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.887 -1.277 -9.143 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.208 -0.002 -10.160 1.00 14.76 H new ATOM 507 N ASP A 32 -5.381 -5.654 -8.208 1.00 10.93 N ATOM 508 CA ASP A 32 -5.316 -6.868 -9.005 1.00 14.01 C ATOM 509 C ASP A 32 -5.685 -8.089 -8.132 1.00 14.04 C ATOM 510 O ASP A 32 -6.378 -8.987 -8.499 1.00 13.39 O ATOM 511 CB ASP A 32 -3.992 -6.996 -9.793 1.00 18.01 C ATOM 512 CG ASP A 32 -4.145 -7.961 -10.918 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.906 -7.693 -11.865 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.505 -9.028 -10.898 1.00 25.17 O ATOM 0 H ASP A 32 -4.484 -5.173 -8.145 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.066 -6.819 -9.795 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.697 -6.021 -10.180 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.196 -7.329 -9.127 1.00 18.01 H new ATOM 519 N LYS A 33 -5.225 -8.173 -6.882 1.00 14.22 N ATOM 520 CA LYS A 33 -5.535 -9.222 -5.956 1.00 14.00 C ATOM 521 C LYS A 33 -6.926 -9.202 -5.480 1.00 12.37 C ATOM 522 O LYS A 33 -7.705 -10.151 -5.617 1.00 12.17 O ATOM 523 CB LYS A 33 -4.610 -9.232 -4.692 1.00 18.62 C ATOM 524 CG LYS A 33 -3.182 -9.762 -5.117 1.00 24.00 C ATOM 525 CD LYS A 33 -2.416 -10.252 -3.913 1.00 27.61 C ATOM 526 CE LYS A 33 -1.024 -10.880 -4.224 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.117 -12.153 -4.903 1.00 30.06 N ATOM 0 H LYS A 33 -4.599 -7.471 -6.487 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.365 -10.122 -6.546 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.532 -8.229 -4.272 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.035 -9.870 -3.917 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.289 -10.571 -5.840 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.625 -8.965 -5.610 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.275 -9.417 -3.227 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.023 -10.993 -3.393 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.449 -10.188 -4.839 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.474 -11.011 -3.292 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.161 -12.521 -5.083 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.641 -12.826 -4.308 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.616 -12.029 -5.807 1.00 30.06 H new ATOM 541 N GLU A 34 -7.429 -8.058 -4.954 1.00 10.11 N ATOM 542 CA GLU A 34 -8.639 -7.867 -4.106 1.00 10.07 C ATOM 543 C GLU A 34 -9.724 -6.906 -4.662 1.00 9.32 C ATOM 544 O GLU A 34 -10.728 -6.682 -3.977 1.00 11.61 O ATOM 545 CB GLU A 34 -8.178 -7.357 -2.669 1.00 14.77 C ATOM 546 CG GLU A 34 -7.018 -8.209 -2.008 1.00 18.75 C ATOM 547 CD GLU A 34 -7.530 -9.612 -1.723 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.360 -9.619 -0.748 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.209 -10.617 -2.384 1.00 25.19 O ATOM 0 H GLU A 34 -6.961 -7.168 -5.125 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.124 -8.843 -4.076 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.847 -6.322 -2.754 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.040 -7.362 -2.002 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.156 -8.252 -2.674 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.684 -7.736 -1.085 1.00 18.75 H new ATOM 556 N GLY A 35 -9.508 -6.342 -5.881 1.00 7.22 N ATOM 557 CA GLY A 35 -10.500 -5.527 -6.488 1.00 6.29 C ATOM 558 C GLY A 35 -10.776 -4.155 -5.887 1.00 6.93 C ATOM 559 O GLY A 35 -11.707 -3.488 -6.266 1.00 7.41 O ATOM 0 H GLY A 35 -8.654 -6.457 -6.427 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.218 -5.382 -7.531 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.436 -6.085 -6.485 1.00 6.29 H new ATOM 563 N ILE A 36 -9.974 -3.680 -4.962 1.00 5.86 N ATOM 564 CA ILE A 36 -10.237 -2.430 -4.197 1.00 6.07 C ATOM 565 C ILE A 36 -9.641 -1.214 -5.036 1.00 6.36 C ATOM 566 O ILE A 36 -8.434 -1.294 -5.356 1.00 6.18 O ATOM 567 CB ILE A 36 -9.539 -2.451 -2.882 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.798 -3.744 -2.064 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.959 -1.205 -2.052 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.802 -3.863 -0.889 1.00 9.49 C ATOM 0 H ILE A 36 -9.102 -4.139 -4.698 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.310 -2.335 -4.031 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.470 -2.430 -3.092 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.819 -3.739 -1.681 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.706 -4.614 -2.714 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.448 -1.220 -1.089 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.687 -0.299 -2.593 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.037 -1.221 -1.891 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.005 -4.777 -0.331 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.784 -3.893 -1.277 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.914 -3.003 -0.229 1.00 9.49 H new ATOM 582 N PRO A 37 -10.343 -0.122 -5.401 1.00 8.65 N ATOM 583 CA PRO A 37 -9.715 0.896 -6.256 1.00 9.18 C ATOM 584 C PRO A 37 -8.496 1.525 -5.572 1.00 9.85 C ATOM 585 O PRO A 37 -8.662 1.640 -4.354 1.00 8.51 O ATOM 586 CB PRO A 37 -10.899 1.859 -6.558 1.00 11.42 C ATOM 587 CG PRO A 37 -12.114 0.936 -6.552 1.00 9.27 C ATOM 588 CD PRO A 37 -11.815 -0.016 -5.379 1.00 8.33 C ATOM 0 HA PRO A 37 -9.279 0.522 -7.182 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.984 2.641 -5.803 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.777 2.357 -7.520 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.041 1.489 -6.398 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.217 0.397 -7.494 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.176 0.385 -4.432 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.291 -0.987 -5.516 1.00 8.33 H new ATOM 596 N PRO A 38 -7.427 1.974 -6.150 1.00 8.71 N ATOM 597 CA PRO A 38 -6.477 2.813 -5.510 1.00 9.08 C ATOM 598 C PRO A 38 -6.906 3.996 -4.645 1.00 9.28 C ATOM 599 O PRO A 38 -6.327 4.168 -3.571 1.00 6.50 O ATOM 600 CB PRO A 38 -5.619 3.353 -6.673 1.00 10.31 C ATOM 601 CG PRO A 38 -5.594 2.157 -7.674 1.00 10.81 C ATOM 602 CD PRO A 38 -6.958 1.541 -7.516 1.00 12.00 C ATOM 0 HA PRO A 38 -6.011 2.181 -4.754 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.060 4.244 -7.120 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.616 3.624 -6.343 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.421 2.492 -8.697 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.802 1.448 -7.433 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.639 1.885 -8.294 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.911 0.455 -7.591 1.00 12.00 H new ATOM 610 N ASP A 39 -7.901 4.784 -5.114 1.00 11.20 N ATOM 611 CA ASP A 39 -8.343 5.948 -4.390 1.00 14.96 C ATOM 612 C ASP A 39 -9.042 5.564 -3.072 1.00 13.99 C ATOM 613 O ASP A 39 -9.175 6.391 -2.153 1.00 13.75 O ATOM 614 CB ASP A 39 -9.404 6.670 -5.287 1.00 24.16 C ATOM 615 CG ASP A 39 -8.819 7.232 -6.586 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.268 8.343 -6.513 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.109 6.704 -7.670 1.00 34.22 O ATOM 0 H ASP A 39 -8.397 4.617 -5.989 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.480 6.572 -4.160 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.202 5.968 -5.530 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.857 7.483 -4.719 1.00 24.16 H new ATOM 622 N GLN A 40 -9.532 4.335 -2.983 1.00 11.60 N ATOM 623 CA GLN A 40 -10.333 3.812 -1.825 1.00 10.76 C ATOM 624 C GLN A 40 -9.512 2.963 -0.899 1.00 8.01 C ATOM 625 O GLN A 40 -10.069 2.351 0.026 1.00 8.96 O ATOM 626 CB GLN A 40 -11.542 3.049 -2.359 1.00 11.14 C ATOM 627 CG GLN A 40 -12.814 3.874 -2.738 1.00 14.85 C ATOM 628 CD GLN A 40 -13.977 2.981 -2.892 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.278 2.156 -2.035 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.722 3.128 -4.025 1.00 18.16 N ATOM 0 H GLN A 40 -9.395 3.639 -3.716 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.673 4.659 -1.230 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.225 2.496 -3.243 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.831 2.313 -1.609 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.017 4.617 -1.966 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.639 4.418 -3.666 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.454 3.820 -4.725 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.547 2.546 -4.172 1.00 18.16 H new ATOM 639 N GLN A 41 -8.186 3.003 -1.043 1.00 6.52 N ATOM 640 CA GLN A 41 -7.161 2.363 -0.237 1.00 3.87 C ATOM 641 C GLN A 41 -6.474 3.540 0.428 1.00 4.79 C ATOM 642 O GLN A 41 -6.192 4.606 -0.130 1.00 6.34 O ATOM 643 CB GLN A 41 -6.174 1.768 -1.217 1.00 4.20 C ATOM 644 CG GLN A 41 -6.625 0.427 -1.924 1.00 3.20 C ATOM 645 CD GLN A 41 -5.581 -0.205 -2.815 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.494 -0.342 -2.268 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.960 -0.570 -4.096 1.00 7.13 N ATOM 0 H GLN A 41 -7.769 3.539 -1.804 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.526 1.610 0.462 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.965 2.510 -1.988 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.237 1.582 -0.692 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.911 -0.293 -1.157 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.516 0.629 -2.519 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.911 -0.390 -4.417 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.288 -1.018 -4.718 1.00 7.13 H new ATOM 656 N ARG A 42 -6.129 3.377 1.724 1.00 5.73 N ATOM 657 CA ARG A 42 -5.393 4.276 2.555 1.00 6.97 C ATOM 658 C ARG A 42 -4.349 3.401 3.258 1.00 7.15 C ATOM 659 O ARG A 42 -4.706 2.550 4.081 1.00 7.33 O ATOM 660 CB ARG A 42 -6.189 5.053 3.623 1.00 13.23 C ATOM 661 CG ARG A 42 -5.414 5.778 4.711 1.00 21.27 C ATOM 662 CD ARG A 42 -6.275 6.506 5.693 1.00 26.14 C ATOM 663 NE ARG A 42 -6.750 7.819 4.941 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.773 8.668 5.320 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.509 8.315 6.377 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.924 9.806 4.640 1.00 36.39 N ATOM 0 H ARG A 42 -6.394 2.533 2.232 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.997 5.062 1.912 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.807 5.789 3.108 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.867 4.351 4.109 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.801 5.055 5.248 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.733 6.489 4.244 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.126 5.897 5.997 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.719 6.751 6.598 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.248 8.063 4.087 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.307 7.447 6.872 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.273 8.914 6.689 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.295 10.026 3.868 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.668 10.456 4.892 1.00 36.39 H new ATOM 680 N LEU A 43 -3.073 3.545 2.851 1.00 4.65 N ATOM 681 CA LEU A 43 -1.973 2.651 3.240 1.00 3.51 C ATOM 682 C LEU A 43 -1.207 3.294 4.392 1.00 5.56 C ATOM 683 O LEU A 43 -0.738 4.419 4.345 1.00 4.19 O ATOM 684 CB LEU A 43 -1.031 2.298 2.068 1.00 3.74 C ATOM 685 CG LEU A 43 -1.586 1.276 1.032 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.968 1.418 -0.366 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.532 -0.207 1.485 1.00 6.41 C ATOM 0 H LEU A 43 -2.776 4.300 2.232 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.404 1.702 3.558 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.778 3.218 1.541 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.103 1.901 2.480 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.639 1.551 0.970 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.403 0.674 -1.033 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.171 2.416 -0.754 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.109 1.265 -0.305 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.939 -0.843 0.699 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.498 -0.490 1.681 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.121 -0.331 2.394 1.00 6.41 H new ATOM 699 N ILE A 44 -1.004 2.555 5.523 1.00 4.58 N ATOM 700 CA ILE A 44 -0.398 3.037 6.737 1.00 5.55 C ATOM 701 C ILE A 44 0.891 2.265 7.008 1.00 5.46 C ATOM 702 O ILE A 44 0.969 1.038 6.929 1.00 6.04 O ATOM 703 CB ILE A 44 -1.366 2.949 7.895 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.708 3.654 7.651 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.729 3.452 9.114 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.739 5.159 7.389 1.00 13.90 C ATOM 0 H ILE A 44 -1.279 1.575 5.585 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.144 4.090 6.619 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.613 1.893 8.008 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.181 3.166 6.799 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.339 3.462 8.519 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.431 3.386 9.945 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.154 2.853 9.337 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.435 4.492 8.969 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.770 5.481 7.239 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.315 5.686 8.244 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.155 5.385 6.497 1.00 13.90 H new ATOM 718 N PHE A 45 2.003 3.033 7.244 1.00 6.75 N ATOM 719 CA PHE A 45 3.237 2.390 7.608 1.00 4.70 C ATOM 720 C PHE A 45 4.004 3.409 8.454 1.00 6.34 C ATOM 721 O PHE A 45 4.295 4.551 8.125 1.00 5.45 O ATOM 722 CB PHE A 45 4.131 1.910 6.416 1.00 5.51 C ATOM 723 CG PHE A 45 5.488 1.402 6.736 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.698 0.209 7.550 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.631 2.063 6.150 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.973 -0.180 7.895 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.879 1.623 6.479 1.00 6.64 C ATOM 728 CZ PHE A 45 8.084 0.560 7.360 1.00 6.84 C ATOM 0 H PHE A 45 2.038 4.051 7.184 1.00 6.75 H new ATOM 0 HA PHE A 45 2.992 1.468 8.136 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.593 1.122 5.889 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.239 2.742 5.721 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.850 -0.371 7.883 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.500 2.888 5.466 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.135 -1.022 8.552 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.737 2.113 6.044 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.090 0.290 7.644 1.00 6.84 H new ATOM 738 N ALA A 46 4.340 2.981 9.671 1.00 6.53 N ATOM 739 CA ALA A 46 5.085 3.740 10.632 1.00 7.15 C ATOM 740 C ALA A 46 4.425 5.046 11.144 1.00 9.00 C ATOM 741 O ALA A 46 5.101 6.051 11.457 1.00 11.15 O ATOM 742 CB ALA A 46 6.516 3.980 10.112 1.00 8.99 C ATOM 0 H ALA A 46 4.082 2.055 10.012 1.00 6.53 H new ATOM 0 HA ALA A 46 5.108 3.120 11.528 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.078 4.557 10.846 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.009 3.022 9.949 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.474 4.531 9.172 1.00 8.99 H new ATOM 748 N GLY A 47 3.064 5.045 11.152 1.00 9.35 N ATOM 749 CA GLY A 47 2.162 6.159 11.564 1.00 11.68 C ATOM 750 C GLY A 47 1.985 7.101 10.389 1.00 11.14 C ATOM 751 O GLY A 47 1.232 8.099 10.542 1.00 13.93 O ATOM 0 H GLY A 47 2.537 4.223 10.855 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.196 5.766 11.882 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.585 6.692 12.416 1.00 11.68 H new ATOM 755 N LYS A 48 2.701 6.842 9.258 1.00 10.47 N ATOM 756 CA LYS A 48 2.638 7.629 8.054 1.00 8.82 C ATOM 757 C LYS A 48 1.541 7.116 7.176 1.00 7.68 C ATOM 758 O LYS A 48 1.479 5.924 6.913 1.00 6.47 O ATOM 759 CB LYS A 48 4.011 7.597 7.323 1.00 9.74 C ATOM 760 CG LYS A 48 5.238 7.907 8.170 1.00 14.14 C ATOM 761 CD LYS A 48 6.509 7.534 7.411 1.00 16.32 C ATOM 762 CE LYS A 48 7.739 7.706 8.298 1.00 20.04 C ATOM 763 NZ LYS A 48 9.058 7.475 7.569 1.00 23.92 N ATOM 0 H LYS A 48 3.345 6.054 9.186 1.00 10.47 H new ATOM 0 HA LYS A 48 2.418 8.667 8.305 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.141 6.608 6.883 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.976 8.310 6.499 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.255 8.967 8.425 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.190 7.355 9.108 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.444 6.501 7.068 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.605 8.159 6.523 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.737 8.713 8.716 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.671 7.013 9.136 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.849 7.608 8.231 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.081 6.506 7.192 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.145 8.153 6.785 1.00 23.92 H new ATOM 777 N GLN A 49 0.584 8.033 6.803 1.00 8.89 N ATOM 778 CA GLN A 49 -0.375 7.823 5.780 1.00 7.18 C ATOM 779 C GLN A 49 0.227 8.096 4.377 1.00 8.23 C ATOM 780 O GLN A 49 0.470 9.249 3.965 1.00 9.70 O ATOM 781 CB GLN A 49 -1.584 8.802 5.882 1.00 11.67 C ATOM 782 CG GLN A 49 -2.802 8.516 4.998 1.00 15.82 C ATOM 783 CD GLN A 49 -3.772 9.646 5.251 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.971 10.502 4.394 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.423 9.614 6.440 1.00 20.67 N ATOM 0 H GLN A 49 0.499 8.947 7.248 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.689 6.787 5.908 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.918 8.818 6.920 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.226 9.804 5.647 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.519 8.472 3.946 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.249 7.554 5.248 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.216 8.878 7.115 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.119 10.326 6.659 1.00 20.67 H new ATOM 794 N LEU A 50 0.519 6.980 3.679 1.00 6.51 N ATOM 795 CA LEU A 50 1.391 6.925 2.540 1.00 7.41 C ATOM 796 C LEU A 50 0.760 7.628 1.332 1.00 8.27 C ATOM 797 O LEU A 50 -0.334 7.242 0.932 1.00 8.34 O ATOM 798 CB LEU A 50 1.750 5.499 2.083 1.00 7.13 C ATOM 799 CG LEU A 50 2.332 4.564 3.143 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.575 3.121 2.534 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.619 5.153 3.790 1.00 9.11 C ATOM 0 H LEU A 50 0.127 6.070 3.921 1.00 6.51 H new ATOM 0 HA LEU A 50 2.301 7.422 2.877 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.851 5.035 1.677 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.467 5.574 1.265 1.00 7.13 H new ATOM 0 HG LEU A 50 1.603 4.467 3.948 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.990 2.467 3.301 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.629 2.711 2.181 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.274 3.191 1.701 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.001 4.458 4.538 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.375 5.309 3.020 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.384 6.105 4.266 1.00 9.11 H new ATOM 813 N GLU A 51 1.481 8.529 0.693 1.00 9.43 N ATOM 814 CA GLU A 51 0.969 9.397 -0.354 1.00 11.90 C ATOM 815 C GLU A 51 1.285 8.738 -1.666 1.00 11.49 C ATOM 816 O GLU A 51 2.392 8.358 -2.021 1.00 9.88 O ATOM 817 CB GLU A 51 1.369 10.822 -0.328 1.00 16.56 C ATOM 818 CG GLU A 51 0.614 11.718 -1.326 1.00 26.06 C ATOM 819 CD GLU A 51 0.962 13.166 -1.006 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.148 13.532 -1.135 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.085 13.938 -0.548 1.00 32.13 O ATOM 0 H GLU A 51 2.469 8.683 0.893 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.103 9.492 -0.180 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.214 11.211 0.678 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.437 10.890 -0.535 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.898 11.474 -2.350 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.461 11.557 -1.247 1.00 26.06 H new ATOM 828 N ASP A 52 0.306 8.632 -2.510 1.00 12.71 N ATOM 829 CA ASP A 52 0.161 8.049 -3.837 1.00 16.56 C ATOM 830 C ASP A 52 1.418 8.259 -4.727 1.00 15.83 C ATOM 831 O ASP A 52 1.951 7.301 -5.306 1.00 17.21 O ATOM 832 CB ASP A 52 -1.147 8.369 -4.474 1.00 21.05 C ATOM 833 CG ASP A 52 -2.363 7.925 -3.726 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.613 8.527 -2.696 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.080 6.941 -4.106 1.00 28.37 O ATOM 0 H ASP A 52 -0.592 9.030 -2.236 1.00 12.71 H new ATOM 0 HA ASP A 52 0.118 6.967 -3.708 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.206 9.448 -4.617 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.168 7.915 -5.465 1.00 21.05 H new ATOM 840 N GLY A 53 1.942 9.536 -4.782 1.00 15.00 N ATOM 841 CA GLY A 53 2.875 9.903 -5.832 1.00 11.77 C ATOM 842 C GLY A 53 4.288 9.924 -5.386 1.00 11.10 C ATOM 843 O GLY A 53 5.272 10.299 -6.084 1.00 11.25 O ATOM 0 H GLY A 53 1.723 10.281 -4.120 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.774 9.200 -6.659 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.609 10.888 -6.216 1.00 11.77 H new ATOM 847 N ARG A 54 4.498 9.484 -4.116 1.00 8.53 N ATOM 848 CA ARG A 54 5.870 9.314 -3.619 1.00 9.05 C ATOM 849 C ARG A 54 6.260 7.837 -3.895 1.00 8.96 C ATOM 850 O ARG A 54 5.379 7.022 -4.258 1.00 11.60 O ATOM 851 CB ARG A 54 5.965 9.579 -2.142 1.00 7.97 C ATOM 852 CG ARG A 54 5.224 10.876 -1.700 1.00 9.62 C ATOM 853 CD ARG A 54 5.581 11.465 -0.340 1.00 12.20 C ATOM 854 NE ARG A 54 4.780 12.655 -0.312 1.00 18.23 N ATOM 855 CZ ARG A 54 4.699 13.422 0.795 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.479 13.221 1.857 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.619 14.242 0.878 1.00 23.38 N ATOM 0 H ARG A 54 3.761 9.252 -3.450 1.00 8.53 H new ATOM 0 HA ARG A 54 6.533 10.020 -4.118 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.550 8.729 -1.600 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.015 9.655 -1.860 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.406 11.641 -2.455 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.154 10.670 -1.706 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.333 10.787 0.476 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.645 11.687 -0.258 1.00 12.20 H new ATOM 0 HE ARG A 54 4.261 12.927 -1.147 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.166 12.467 1.850 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.389 13.821 2.677 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.928 14.252 0.128 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.500 14.847 1.690 1.00 23.38 H new ATOM 871 N THR A 55 7.489 7.497 -3.649 1.00 9.05 N ATOM 872 CA THR A 55 7.961 6.138 -3.856 1.00 9.03 C ATOM 873 C THR A 55 8.070 5.250 -2.591 1.00 8.15 C ATOM 874 O THR A 55 8.070 5.793 -1.513 1.00 5.91 O ATOM 875 CB THR A 55 9.359 6.148 -4.594 1.00 11.15 C ATOM 876 OG1 THR A 55 10.417 6.729 -3.820 1.00 11.95 O ATOM 877 CG2 THR A 55 9.268 6.997 -5.928 1.00 11.71 C ATOM 0 H THR A 55 8.199 8.141 -3.301 1.00 9.05 H new ATOM 0 HA THR A 55 7.181 5.682 -4.465 1.00 9.03 H new ATOM 0 HB THR A 55 9.588 5.098 -4.779 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.334 7.705 -3.834 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.237 6.996 -6.427 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.520 6.558 -6.588 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.984 8.022 -5.688 1.00 11.71 H new ATOM 885 N LEU A 56 8.236 3.904 -2.731 1.00 6.91 N ATOM 886 CA LEU A 56 8.554 3.003 -1.693 1.00 8.29 C ATOM 887 C LEU A 56 9.892 3.324 -0.983 1.00 8.05 C ATOM 888 O LEU A 56 10.024 3.246 0.241 1.00 10.17 O ATOM 889 CB LEU A 56 8.483 1.524 -2.201 1.00 6.60 C ATOM 890 CG LEU A 56 7.060 0.874 -2.194 1.00 7.73 C ATOM 891 CD1 LEU A 56 5.871 1.552 -2.984 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.146 -0.610 -2.618 1.00 8.64 C ATOM 0 H LEU A 56 8.137 3.440 -3.634 1.00 6.91 H new ATOM 0 HA LEU A 56 7.794 3.130 -0.922 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.874 1.489 -3.218 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.144 0.915 -1.584 1.00 6.60 H new ATOM 0 HG LEU A 56 6.775 1.028 -1.153 1.00 7.73 H new ATOM 0 HD11 LEU A 56 4.966 0.957 -2.861 1.00 9.85 H new ATOM 0 HD12 LEU A 56 5.701 2.556 -2.594 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.125 1.612 -4.042 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.149 -1.049 -2.609 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.563 -0.678 -3.623 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.787 -1.151 -1.922 1.00 8.64 H new ATOM 904 N SER A 57 10.892 3.723 -1.746 1.00 8.92 N ATOM 905 CA SER A 57 12.172 4.253 -1.308 1.00 9.00 C ATOM 906 C SER A 57 12.164 5.431 -0.388 1.00 9.44 C ATOM 907 O SER A 57 12.845 5.434 0.609 1.00 10.91 O ATOM 908 CB SER A 57 13.115 4.537 -2.534 1.00 10.32 C ATOM 909 OG SER A 57 14.475 4.726 -2.126 1.00 13.59 O ATOM 0 H SER A 57 10.827 3.683 -2.763 1.00 8.92 H new ATOM 0 HA SER A 57 12.556 3.445 -0.685 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.058 3.705 -3.236 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.767 5.425 -3.062 1.00 10.32 H new ATOM 0 HG SER A 57 15.032 4.899 -2.914 1.00 13.59 H new ATOM 915 N ASP A 58 11.383 6.526 -0.702 1.00 9.11 N ATOM 916 CA ASP A 58 11.247 7.790 0.056 1.00 7.91 C ATOM 917 C ASP A 58 10.703 7.501 1.416 1.00 9.12 C ATOM 918 O ASP A 58 11.096 7.997 2.465 1.00 8.61 O ATOM 919 CB ASP A 58 10.202 8.730 -0.577 1.00 8.41 C ATOM 920 CG ASP A 58 10.665 9.217 -1.940 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.764 9.850 -2.000 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.889 9.088 -2.957 1.00 10.05 O ATOM 0 H ASP A 58 10.806 6.531 -1.543 1.00 9.11 H new ATOM 0 HA ASP A 58 12.237 8.246 0.068 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.251 8.208 -0.677 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.030 9.583 0.079 1.00 8.41 H new ATOM 927 N TYR A 59 9.822 6.550 1.463 1.00 7.97 N ATOM 928 CA TYR A 59 9.174 6.237 2.695 1.00 8.45 C ATOM 929 C TYR A 59 9.884 5.188 3.505 1.00 10.98 C ATOM 930 O TYR A 59 9.347 4.717 4.501 1.00 12.95 O ATOM 931 CB TYR A 59 7.715 5.655 2.366 1.00 7.94 C ATOM 932 CG TYR A 59 6.662 6.758 2.357 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.466 7.535 3.490 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.917 6.997 1.164 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.441 8.481 3.474 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.921 7.944 1.177 1.00 6.52 C ATOM 937 CZ TYR A 59 4.641 8.752 2.323 1.00 6.76 C ATOM 938 OH TYR A 59 3.548 9.699 2.305 1.00 7.63 O ATOM 0 H TYR A 59 9.537 5.981 0.666 1.00 7.97 H new ATOM 0 HA TYR A 59 9.155 7.159 3.276 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.731 5.158 1.396 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.447 4.901 3.106 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.091 7.410 4.362 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.133 6.442 0.263 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.242 9.037 4.378 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.326 8.083 0.286 1.00 6.52 H new ATOM 0 HH TYR A 59 3.904 10.607 2.211 1.00 7.63 H new ATOM 948 N ASN A 60 11.046 4.749 3.065 1.00 12.38 N ATOM 949 CA ASN A 60 11.850 3.645 3.636 1.00 13.94 C ATOM 950 C ASN A 60 11.082 2.308 3.706 1.00 14.16 C ATOM 951 O ASN A 60 11.228 1.580 4.752 1.00 14.26 O ATOM 952 CB ASN A 60 12.370 4.062 5.020 1.00 19.23 C ATOM 953 CG ASN A 60 13.160 5.398 5.063 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.338 6.112 4.128 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.821 5.667 6.209 1.00 24.09 N ATOM 0 H ASN A 60 11.496 5.167 2.251 1.00 12.38 H new ATOM 0 HA ASN A 60 12.690 3.464 2.965 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.521 4.140 5.699 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.012 3.268 5.402 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.454 6.466 6.257 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.688 5.072 7.026 1.00 24.09 H new ATOM 962 N ILE A 61 10.371 1.873 2.661 1.00 11.08 N ATOM 963 CA ILE A 61 9.641 0.631 2.734 1.00 11.78 C ATOM 964 C ILE A 61 10.580 -0.382 2.173 1.00 13.74 C ATOM 965 O ILE A 61 11.041 -0.293 1.007 1.00 14.60 O ATOM 966 CB ILE A 61 8.348 0.708 1.900 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.272 1.652 2.548 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.849 -0.758 1.801 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.094 1.876 1.672 1.00 11.42 C ATOM 0 H ILE A 61 10.294 2.365 1.771 1.00 11.08 H new ATOM 0 HA ILE A 61 9.330 0.388 3.750 1.00 11.78 H new ATOM 0 HB ILE A 61 8.532 1.143 0.918 1.00 11.80 H new ATOM 0 HG12 ILE A 61 6.939 1.220 3.492 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.732 2.612 2.781 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.928 -0.790 1.220 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.608 -1.368 1.312 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.660 -1.146 2.802 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.387 2.536 2.175 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.417 2.335 0.738 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.612 0.922 1.459 1.00 11.42 H new ATOM 981 N GLN A 62 11.089 -1.251 3.066 1.00 13.97 N ATOM 982 CA GLN A 62 12.133 -2.255 2.733 1.00 15.52 C ATOM 983 C GLN A 62 11.536 -3.622 2.482 1.00 13.94 C ATOM 984 O GLN A 62 10.350 -3.879 2.798 1.00 12.15 O ATOM 985 CB GLN A 62 13.172 -2.256 3.893 1.00 19.53 C ATOM 986 CG GLN A 62 13.940 -0.870 3.951 1.00 26.38 C ATOM 987 CD GLN A 62 15.101 -1.010 4.876 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.931 -1.363 6.036 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.297 -0.837 4.369 1.00 32.71 N ATOM 0 H GLN A 62 10.792 -1.282 4.041 1.00 13.97 H new ATOM 0 HA GLN A 62 12.632 -1.989 1.801 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.667 -2.439 4.841 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.885 -3.068 3.750 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.281 -0.584 2.956 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.272 -0.081 4.298 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.402 -0.542 3.398 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.123 -0.997 4.945 1.00 32.71 H new ATOM 998 N LYS A 63 12.358 -4.478 1.864 1.00 11.73 N ATOM 999 CA LYS A 63 11.988 -5.811 1.583 1.00 11.97 C ATOM 1000 C LYS A 63 11.650 -6.621 2.825 1.00 10.41 C ATOM 1001 O LYS A 63 12.311 -6.483 3.851 1.00 9.59 O ATOM 1002 CB LYS A 63 13.100 -6.475 0.768 1.00 13.73 C ATOM 1003 CG LYS A 63 14.468 -6.551 1.504 1.00 16.98 C ATOM 1004 CD LYS A 63 15.656 -7.103 0.669 1.00 20.19 C ATOM 1005 CE LYS A 63 16.921 -7.481 1.369 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.569 -6.316 1.856 1.00 25.97 N ATOM 0 H LYS A 63 13.299 -4.233 1.555 1.00 11.73 H new ATOM 0 HA LYS A 63 11.066 -5.784 1.002 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.787 -7.484 0.501 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.231 -5.925 -0.164 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.727 -5.551 1.853 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.349 -7.176 2.389 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.301 -7.984 0.134 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.907 -6.353 -0.082 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.702 -8.158 2.195 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.580 -8.015 0.685 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.448 -6.585 2.342 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.793 -5.685 1.060 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.942 -5.823 2.523 1.00 25.97 H new ATOM 1020 N GLU A 64 10.550 -7.471 2.712 1.00 10.04 N ATOM 1021 CA GLU A 64 9.936 -8.156 3.802 1.00 10.94 C ATOM 1022 C GLU A 64 9.385 -7.249 4.879 1.00 9.74 C ATOM 1023 O GLU A 64 9.423 -7.617 6.071 1.00 9.42 O ATOM 1024 CB GLU A 64 10.765 -9.349 4.340 1.00 18.31 C ATOM 1025 CG GLU A 64 11.283 -10.272 3.250 1.00 24.16 C ATOM 1026 CD GLU A 64 12.186 -11.420 3.697 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.205 -11.147 4.395 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.978 -12.580 3.240 1.00 32.61 O ATOM 0 H GLU A 64 10.100 -7.664 1.817 1.00 10.04 H new ATOM 0 HA GLU A 64 9.048 -8.614 3.366 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.610 -8.965 4.911 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.150 -9.926 5.031 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.426 -10.697 2.728 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.831 -9.670 2.526 1.00 24.16 H new ATOM 1035 N SER A 65 8.825 -6.104 4.510 1.00 6.85 N ATOM 1036 CA SER A 65 8.246 -5.168 5.496 1.00 6.90 C ATOM 1037 C SER A 65 6.718 -5.199 5.397 1.00 4.72 C ATOM 1038 O SER A 65 6.203 -5.718 4.380 1.00 3.91 O ATOM 1039 CB SER A 65 8.782 -3.688 5.416 1.00 7.28 C ATOM 1040 OG SER A 65 9.008 -3.090 6.647 1.00 10.56 O ATOM 0 H SER A 65 8.754 -5.792 3.542 1.00 6.85 H new ATOM 0 HA SER A 65 8.577 -5.524 6.472 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.712 -3.682 4.847 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.064 -3.085 4.860 1.00 7.28 H new ATOM 0 HG SER A 65 9.340 -2.178 6.512 1.00 10.56 H new ATOM 1046 N THR A 66 6.012 -4.805 6.439 1.00 4.48 N ATOM 1047 CA THR A 66 4.588 -5.132 6.549 1.00 3.80 C ATOM 1048 C THR A 66 3.891 -3.787 6.503 1.00 4.60 C ATOM 1049 O THR A 66 4.325 -2.852 7.139 1.00 5.33 O ATOM 1050 CB THR A 66 4.253 -5.811 7.934 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.043 -7.059 8.120 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.726 -6.200 7.982 1.00 3.40 C ATOM 0 H THR A 66 6.388 -4.264 7.218 1.00 4.48 H new ATOM 0 HA THR A 66 4.283 -5.824 5.764 1.00 3.80 H new ATOM 0 HB THR A 66 4.499 -5.098 8.721 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.820 -7.461 8.985 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.500 -6.668 8.940 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.118 -5.303 7.864 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.503 -6.898 7.175 1.00 3.40 H new ATOM 1060 N LEU A 67 2.871 -3.591 5.711 1.00 4.17 N ATOM 1061 CA LEU A 67 2.092 -2.402 5.633 1.00 3.85 C ATOM 1062 C LEU A 67 0.712 -2.696 6.112 1.00 3.80 C ATOM 1063 O LEU A 67 0.322 -3.881 6.132 1.00 5.54 O ATOM 1064 CB LEU A 67 1.889 -1.956 4.174 1.00 7.18 C ATOM 1065 CG LEU A 67 3.172 -1.696 3.328 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.773 -1.049 1.988 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.336 -0.830 3.912 1.00 11.66 C ATOM 0 H LEU A 67 2.548 -4.310 5.064 1.00 4.17 H new ATOM 0 HA LEU A 67 2.614 -1.644 6.217 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.297 -2.718 3.666 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.295 -1.042 4.179 1.00 7.18 H new ATOM 0 HG LEU A 67 3.592 -2.700 3.270 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.667 -0.865 1.392 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.106 -1.719 1.445 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.263 -0.105 2.178 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.141 -0.761 3.180 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.966 0.170 4.141 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.713 -1.294 4.823 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.008 -1.673 6.556 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.399 -1.795 6.926 1.00 4.17 C ATOM 1081 C HIS A 68 -2.330 -1.036 5.919 1.00 5.32 C ATOM 1082 O HIS A 68 -2.036 0.065 5.457 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.695 -1.275 8.373 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.459 -2.385 9.312 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.146 -2.860 9.591 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.303 -3.104 10.097 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.278 -3.861 10.476 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.542 -4.071 10.804 1.00 16.30 N ATOM 0 H HIS A 68 0.367 -0.731 6.668 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.612 -2.863 6.896 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.051 -0.429 8.613 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.724 -0.924 8.449 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.371 -2.964 10.171 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.551 -4.428 10.873 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.899 -4.785 11.439 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.498 -1.703 5.528 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.323 -1.173 4.471 1.00 3.97 C ATOM 1098 C LEU A 69 -5.687 -0.881 5.083 1.00 5.07 C ATOM 1099 O LEU A 69 -6.417 -1.762 5.494 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.436 -2.197 3.309 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.623 -1.931 2.355 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.725 -0.594 1.693 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.520 -2.991 1.306 1.00 9.96 C ATOM 0 H LEU A 69 -3.835 -2.572 5.943 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.892 -0.264 4.050 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.510 -2.183 2.734 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.536 -3.198 3.728 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.522 -1.946 2.972 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.610 -0.569 1.058 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.802 0.183 2.453 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.837 -0.420 1.085 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.330 -2.871 0.587 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.563 -2.902 0.792 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.591 -3.973 1.773 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.090 0.433 5.022 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.398 0.901 5.490 1.00 6.26 C ATOM 1117 C VAL A 70 -8.235 1.274 4.338 1.00 9.22 C ATOM 1118 O VAL A 70 -7.834 2.005 3.429 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.237 2.108 6.522 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.647 2.743 6.864 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.563 1.646 7.858 1.00 8.54 C ATOM 0 H VAL A 70 -5.503 1.177 4.645 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.896 0.092 6.024 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.598 2.849 6.041 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.515 3.564 7.569 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.108 3.119 5.951 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.290 1.983 7.308 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.472 2.497 8.533 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.175 0.875 8.327 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.572 1.244 7.646 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.431 0.783 4.323 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.434 1.032 3.299 1.00 16.06 C ATOM 1133 C LEU A 71 -10.989 2.463 3.509 1.00 18.09 C ATOM 1134 O LEU A 71 -11.090 2.938 4.641 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.585 0.027 3.278 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.241 -1.346 2.605 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.507 -1.180 1.079 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.837 -1.915 2.825 1.00 19.57 C ATOM 0 H LEU A 71 -9.768 0.162 5.058 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.940 0.921 2.333 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.908 -0.157 4.303 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.429 0.473 2.752 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.877 -2.083 3.095 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.280 -2.115 0.566 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.554 -0.922 0.918 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.873 -0.386 0.683 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.744 -2.866 2.301 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.096 -1.215 2.440 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.670 -2.070 3.891 1.00 19.57 H new