USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 130:sc= 0.377 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.354 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 1.53 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.533) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.859 (180deg=0.737) USER MOD Single : A 2 GLN : amide:sc= -0.0368 K(o=-0.037,f=-7.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 0.773 (180deg=-1.05!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.067 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 25 ASN : amide:sc=-0.00383 X(o=-0.0038,f=-0.018) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.39) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.276 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.98!) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.22 (180deg=1.19) 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 X(o=0,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.084 -4.635 -3.520 1.00 0.78 N ATOM 2 CA MET A 1 12.846 -5.255 -2.197 1.00 0.70 C ATOM 3 C MET A 1 11.429 -5.650 -1.955 1.00 0.62 C ATOM 4 O MET A 1 10.532 -5.103 -2.596 1.00 0.68 O ATOM 5 CB MET A 1 13.406 -4.493 -0.984 1.00 0.75 C ATOM 6 CG MET A 1 12.584 -3.393 -0.310 1.00 0.79 C ATOM 7 SD MET A 1 12.353 -1.876 -1.285 1.00 1.10 S ATOM 8 CE MET A 1 11.528 -0.931 0.028 1.00 0.84 C ATOM 0 H1 MET A 1 14.025 -4.193 -3.532 1.00 0.78 H new ATOM 0 H2 MET A 1 13.035 -5.365 -4.259 1.00 0.78 H new ATOM 0 H3 MET A 1 12.359 -3.911 -3.700 1.00 0.78 H new ATOM 0 HA MET A 1 13.442 -6.164 -2.277 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.640 -5.234 -0.219 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.350 -4.045 -1.294 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.603 -3.798 -0.063 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.066 -3.129 0.631 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.003 -0.082 -0.410 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.814 -1.573 0.544 1.00 0.84 H new ATOM 0 HE3 MET A 1 12.272 -0.570 0.739 1.00 0.84 H new ATOM 20 N GLN A 2 11.142 -6.648 -1.102 1.00 0.59 N ATOM 21 CA GLN A 2 9.830 -7.155 -0.839 1.00 0.56 C ATOM 22 C GLN A 2 9.171 -6.360 0.235 1.00 0.50 C ATOM 23 O GLN A 2 9.766 -5.941 1.227 1.00 0.60 O ATOM 24 CB GLN A 2 9.731 -8.649 -0.490 1.00 0.71 C ATOM 25 CG GLN A 2 10.479 -9.147 0.749 1.00 1.15 C ATOM 26 CD GLN A 2 11.995 -9.215 0.629 1.00 1.30 C ATOM 27 OE1 GLN A 2 12.685 -8.200 0.719 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.442 -10.449 0.273 1.00 1.72 N ATOM 0 H GLN A 2 11.865 -7.128 -0.566 1.00 0.59 H new ATOM 0 HA GLN A 2 9.317 -7.050 -1.795 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.676 -8.894 -0.364 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.090 -9.217 -1.348 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.229 -8.495 1.586 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.109 -10.142 0.998 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.791 -11.233 0.226 1.00 1.72 H new ATOM 0 HE22 GLN A 2 13.428 -10.590 0.053 1.00 1.72 H new ATOM 37 N ILE A 3 7.839 -6.191 0.153 1.00 0.44 N ATOM 38 CA ILE A 3 6.965 -5.573 1.101 1.00 0.42 C ATOM 39 C ILE A 3 5.702 -6.358 1.198 1.00 0.40 C ATOM 40 O ILE A 3 5.213 -6.988 0.263 1.00 0.50 O ATOM 41 CB ILE A 3 6.613 -4.165 0.722 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.212 -4.086 -0.761 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.687 -3.168 1.188 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.477 -2.794 -1.112 1.00 0.72 C ATOM 0 H ILE A 3 7.324 -6.523 -0.663 1.00 0.44 H new ATOM 0 HA ILE A 3 7.493 -5.550 2.054 1.00 0.42 H new ATOM 0 HB ILE A 3 5.722 -3.848 1.263 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.106 -4.168 -1.378 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.577 -4.937 -1.006 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.398 -2.159 0.896 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.784 -3.218 2.273 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.642 -3.420 0.726 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.221 -2.798 -2.171 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.566 -2.721 -0.518 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.119 -1.940 -0.897 1.00 0.72 H new ATOM 56 N PHE A 4 5.122 -6.292 2.411 1.00 0.37 N ATOM 57 CA PHE A 4 3.871 -6.948 2.631 1.00 0.38 C ATOM 58 C PHE A 4 2.737 -5.982 2.651 1.00 0.39 C ATOM 59 O PHE A 4 2.656 -5.069 3.471 1.00 0.60 O ATOM 60 CB PHE A 4 3.845 -7.698 3.973 1.00 0.45 C ATOM 61 CG PHE A 4 4.913 -8.728 4.104 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.102 -9.625 3.080 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.798 -8.723 5.157 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.105 -10.565 3.117 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.838 -9.621 5.207 1.00 1.40 C ATOM 66 CZ PHE A 4 6.958 -10.546 4.195 1.00 0.85 C ATOM 0 H PHE A 4 5.506 -5.800 3.218 1.00 0.37 H new ATOM 0 HA PHE A 4 3.761 -7.648 1.803 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.946 -6.977 4.784 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.873 -8.177 4.092 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.445 -9.591 2.223 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.674 -8.005 5.954 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.219 -11.293 2.327 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.545 -9.601 6.023 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.748 -11.281 4.249 1.00 0.85 H new ATOM 76 N VAL A 5 1.798 -6.146 1.703 1.00 0.35 N ATOM 77 CA VAL A 5 0.561 -5.429 1.721 1.00 0.35 C ATOM 78 C VAL A 5 -0.474 -6.262 2.395 1.00 0.35 C ATOM 79 O VAL A 5 -0.790 -7.324 1.862 1.00 0.46 O ATOM 80 CB VAL A 5 0.095 -4.933 0.383 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.352 -4.414 0.413 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.160 -3.924 -0.079 1.00 0.56 C ATOM 0 H VAL A 5 1.898 -6.784 0.914 1.00 0.35 H new ATOM 0 HA VAL A 5 0.737 -4.514 2.287 1.00 0.35 H new ATOM 0 HB VAL A 5 0.021 -5.733 -0.354 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.635 -4.068 -0.581 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.020 -5.218 0.722 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.428 -3.588 1.120 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.882 -3.521 -1.053 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.229 -3.111 0.644 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.126 -4.424 -0.156 1.00 0.56 H new ATOM 92 N LYS A 6 -0.985 -5.948 3.598 1.00 0.36 N ATOM 93 CA LYS A 6 -1.925 -6.769 4.295 1.00 0.39 C ATOM 94 C LYS A 6 -3.281 -6.154 4.350 1.00 0.46 C ATOM 95 O LYS A 6 -3.483 -4.957 4.554 1.00 0.53 O ATOM 96 CB LYS A 6 -1.353 -7.238 5.644 1.00 0.54 C ATOM 97 CG LYS A 6 -2.031 -8.342 6.458 1.00 1.22 C ATOM 98 CD LYS A 6 -1.343 -8.597 7.800 1.00 1.37 C ATOM 99 CE LYS A 6 -1.935 -9.534 8.855 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.443 -10.922 8.708 1.00 2.09 N ATOM 0 H LYS A 6 -0.737 -5.096 4.102 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.085 -7.683 3.724 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.330 -7.564 5.458 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.296 -6.360 6.287 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.072 -8.070 6.634 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.037 -9.264 5.877 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.344 -8.971 7.574 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.219 -7.625 8.278 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.683 -9.164 9.849 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.022 -9.525 8.777 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.870 -11.521 9.443 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.705 -11.286 7.769 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.408 -10.936 8.808 1.00 2.09 H new ATOM 114 N THR A 7 -4.283 -7.029 4.158 1.00 0.58 N ATOM 115 CA THR A 7 -5.663 -6.653 4.132 1.00 0.78 C ATOM 116 C THR A 7 -6.178 -6.620 5.530 1.00 0.94 C ATOM 117 O THR A 7 -5.491 -7.041 6.459 1.00 0.99 O ATOM 118 CB THR A 7 -6.520 -7.318 3.096 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.667 -8.718 3.282 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.901 -7.111 1.703 1.00 0.92 C ATOM 0 H THR A 7 -4.130 -8.027 4.017 1.00 0.58 H new ATOM 0 HA THR A 7 -5.734 -5.639 3.738 1.00 0.78 H new ATOM 0 HB THR A 7 -7.503 -6.857 3.191 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.237 -9.084 2.574 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.525 -7.595 0.952 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.836 -6.044 1.488 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.902 -7.547 1.680 1.00 0.92 H new ATOM 128 N LEU A 8 -7.357 -6.011 5.748 1.00 1.17 N ATOM 129 CA LEU A 8 -7.988 -6.128 7.027 1.00 1.39 C ATOM 130 C LEU A 8 -8.672 -7.440 7.198 1.00 1.44 C ATOM 131 O LEU A 8 -9.031 -7.891 8.284 1.00 1.60 O ATOM 132 CB LEU A 8 -9.024 -5.008 7.212 1.00 1.66 C ATOM 133 CG LEU A 8 -8.284 -3.686 6.946 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.455 -2.699 7.079 1.00 2.53 C ATOM 135 CD2 LEU A 8 -7.259 -3.375 8.050 1.00 2.43 C ATOM 0 H LEU A 8 -7.863 -5.452 5.061 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.200 -6.048 7.776 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.858 -5.132 6.521 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -9.439 -5.025 8.220 1.00 1.66 H new ATOM 0 HG LEU A 8 -7.730 -3.671 6.007 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.095 -1.683 6.915 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.218 -2.938 6.338 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.883 -2.775 8.078 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -6.757 -2.434 7.826 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -7.771 -3.294 9.009 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -6.522 -4.176 8.098 1.00 2.43 H new ATOM 147 N THR A 9 -8.930 -8.079 6.042 1.00 1.41 N ATOM 148 CA THR A 9 -9.688 -9.287 5.925 1.00 1.51 C ATOM 149 C THR A 9 -8.770 -10.430 6.187 1.00 1.37 C ATOM 150 O THR A 9 -9.088 -11.332 6.960 1.00 1.62 O ATOM 151 CB THR A 9 -10.445 -9.381 4.633 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.999 -8.434 3.673 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.858 -8.870 4.965 1.00 2.08 C ATOM 0 H THR A 9 -8.592 -7.735 5.143 1.00 1.41 H new ATOM 0 HA THR A 9 -10.482 -9.304 6.672 1.00 1.51 H new ATOM 0 HB THR A 9 -10.350 -10.397 4.249 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.519 -8.534 2.849 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.478 -8.906 4.069 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.300 -9.499 5.738 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.798 -7.842 5.323 1.00 2.08 H new ATOM 161 N GLY A 10 -7.580 -10.346 5.566 1.00 1.18 N ATOM 162 CA GLY A 10 -6.550 -11.248 5.981 1.00 1.22 C ATOM 163 C GLY A 10 -5.483 -11.660 5.026 1.00 0.99 C ATOM 164 O GLY A 10 -4.722 -12.549 5.406 1.00 1.31 O ATOM 0 H GLY A 10 -7.337 -9.695 4.820 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.056 -10.800 6.843 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.039 -12.157 6.331 1.00 1.22 H new ATOM 168 N LYS A 11 -5.485 -11.154 3.780 1.00 0.73 N ATOM 169 CA LYS A 11 -4.501 -11.605 2.845 1.00 0.60 C ATOM 170 C LYS A 11 -3.221 -10.847 2.916 1.00 0.51 C ATOM 171 O LYS A 11 -3.295 -9.654 3.205 1.00 0.63 O ATOM 172 CB LYS A 11 -5.083 -11.367 1.442 1.00 0.75 C ATOM 173 CG LYS A 11 -4.427 -12.346 0.468 1.00 0.87 C ATOM 174 CD LYS A 11 -5.212 -12.489 -0.838 1.00 1.04 C ATOM 175 CE LYS A 11 -5.286 -11.276 -1.768 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.022 -11.615 -3.006 1.00 1.40 N ATOM 0 H LYS A 11 -6.142 -10.458 3.428 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.280 -12.648 3.070 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.164 -11.510 1.452 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.900 -10.340 1.126 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.415 -12.008 0.245 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.339 -13.323 0.944 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.777 -13.315 -1.400 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.232 -12.778 -0.585 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.781 -10.450 -1.258 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.280 -10.940 -2.017 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.490 -11.272 -3.831 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.135 -12.647 -3.071 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.959 -11.165 -2.987 1.00 1.40 H new ATOM 190 N THR A 12 -2.065 -11.487 2.662 1.00 0.49 N ATOM 191 CA THR A 12 -0.809 -10.819 2.521 1.00 0.48 C ATOM 192 C THR A 12 -0.329 -10.969 1.118 1.00 0.52 C ATOM 193 O THR A 12 0.100 -12.003 0.608 1.00 0.72 O ATOM 194 CB THR A 12 0.205 -11.348 3.491 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.304 -11.403 4.816 1.00 0.77 O ATOM 196 CG2 THR A 12 1.429 -10.419 3.546 1.00 0.78 C ATOM 0 H THR A 12 -2.003 -12.499 2.552 1.00 0.49 H new ATOM 0 HA THR A 12 -0.946 -9.761 2.746 1.00 0.48 H new ATOM 0 HB THR A 12 0.464 -12.347 3.141 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.386 -11.754 5.417 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.156 -10.816 4.254 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.883 -10.356 2.557 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.117 -9.425 3.866 1.00 0.78 H new ATOM 204 N ILE A 13 -0.349 -9.827 0.408 1.00 0.48 N ATOM 205 CA ILE A 13 0.120 -9.730 -0.940 1.00 0.55 C ATOM 206 C ILE A 13 1.555 -9.337 -0.859 1.00 0.51 C ATOM 207 O ILE A 13 1.956 -8.237 -0.483 1.00 0.56 O ATOM 208 CB ILE A 13 -0.575 -8.726 -1.810 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.100 -8.868 -1.671 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.026 -8.907 -3.236 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.960 -8.049 -2.633 1.00 1.55 C ATOM 0 H ILE A 13 -0.701 -8.946 0.782 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.072 -10.697 -1.405 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.375 -7.697 -1.510 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.356 -9.920 -1.798 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.375 -8.594 -0.652 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.507 -8.193 -3.904 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.050 -8.736 -3.236 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.232 -9.921 -3.579 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.014 -8.239 -2.431 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.750 -6.988 -2.496 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.730 -8.335 -3.660 1.00 1.55 H new ATOM 223 N THR A 14 2.494 -10.240 -1.195 1.00 0.55 N ATOM 224 CA THR A 14 3.894 -9.955 -1.235 1.00 0.54 C ATOM 225 C THR A 14 4.151 -9.333 -2.565 1.00 0.55 C ATOM 226 O THR A 14 3.886 -9.908 -3.618 1.00 0.72 O ATOM 227 CB THR A 14 4.892 -11.069 -1.104 1.00 0.67 C ATOM 228 OG1 THR A 14 4.562 -11.875 0.018 1.00 1.08 O ATOM 229 CG2 THR A 14 6.336 -10.545 -1.086 1.00 1.03 C ATOM 0 H THR A 14 2.270 -11.202 -1.448 1.00 0.55 H new ATOM 0 HA THR A 14 4.058 -9.352 -0.342 1.00 0.54 H new ATOM 0 HB THR A 14 4.839 -11.706 -1.987 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.213 -12.602 0.101 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.026 -11.383 -0.990 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.541 -10.011 -2.014 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.467 -9.869 -0.241 1.00 1.03 H new ATOM 237 N LEU A 15 4.561 -8.052 -2.587 1.00 0.50 N ATOM 238 CA LEU A 15 4.964 -7.253 -3.703 1.00 0.55 C ATOM 239 C LEU A 15 6.437 -7.028 -3.659 1.00 0.52 C ATOM 240 O LEU A 15 7.089 -6.975 -2.618 1.00 0.58 O ATOM 241 CB LEU A 15 4.211 -5.921 -3.854 1.00 0.69 C ATOM 242 CG LEU A 15 2.681 -6.057 -3.924 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.958 -5.458 -2.706 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.092 -5.528 -5.243 1.00 1.55 C ATOM 0 H LEU A 15 4.615 -7.518 -1.720 1.00 0.50 H new ATOM 0 HA LEU A 15 4.694 -7.825 -4.591 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.468 -5.276 -3.014 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.560 -5.421 -4.758 1.00 0.69 H new ATOM 0 HG LEU A 15 2.495 -7.131 -3.898 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.882 -5.589 -2.821 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.290 -5.965 -1.800 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.189 -4.395 -2.632 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.009 -5.651 -5.233 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.336 -4.471 -5.353 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.513 -6.086 -6.079 1.00 1.55 H new ATOM 256 N GLU A 16 7.041 -6.739 -4.826 1.00 0.59 N ATOM 257 CA GLU A 16 8.375 -6.230 -4.908 1.00 0.63 C ATOM 258 C GLU A 16 8.399 -4.883 -5.543 1.00 0.65 C ATOM 259 O GLU A 16 7.875 -4.690 -6.640 1.00 0.81 O ATOM 260 CB GLU A 16 9.348 -7.178 -5.629 1.00 0.76 C ATOM 261 CG GLU A 16 9.431 -8.549 -4.955 1.00 1.41 C ATOM 262 CD GLU A 16 10.532 -9.359 -5.628 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.220 -9.926 -6.708 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.700 -9.340 -5.158 1.00 1.95 O ATOM 0 H GLU A 16 6.592 -6.862 -5.733 1.00 0.59 H new ATOM 0 HA GLU A 16 8.724 -6.147 -3.879 1.00 0.63 H new ATOM 0 HB2 GLU A 16 9.030 -7.303 -6.664 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.340 -6.727 -5.653 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.642 -8.435 -3.892 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.476 -9.068 -5.037 1.00 1.41 H new ATOM 271 N VAL A 17 9.100 -3.910 -4.934 1.00 0.61 N ATOM 272 CA VAL A 17 9.162 -2.542 -5.344 1.00 0.63 C ATOM 273 C VAL A 17 10.530 -1.961 -5.247 1.00 0.65 C ATOM 274 O VAL A 17 11.403 -2.592 -4.653 1.00 0.76 O ATOM 275 CB VAL A 17 8.211 -1.722 -4.522 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.690 -1.889 -4.671 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.530 -1.892 -3.027 1.00 0.92 C ATOM 0 H VAL A 17 9.660 -4.092 -4.101 1.00 0.61 H new ATOM 0 HA VAL A 17 8.880 -2.518 -6.396 1.00 0.63 H new ATOM 0 HB VAL A 17 8.402 -0.735 -4.944 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.181 -1.207 -3.990 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.398 -1.663 -5.697 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.412 -2.915 -4.432 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.836 -1.294 -2.437 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.430 -2.942 -2.751 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.550 -1.561 -2.833 1.00 0.92 H new ATOM 287 N GLU A 18 10.772 -0.742 -5.762 1.00 0.68 N ATOM 288 CA GLU A 18 11.965 -0.012 -5.467 1.00 0.74 C ATOM 289 C GLU A 18 11.522 1.001 -4.466 1.00 0.71 C ATOM 290 O GLU A 18 10.319 1.225 -4.354 1.00 0.74 O ATOM 291 CB GLU A 18 12.581 0.679 -6.694 1.00 0.88 C ATOM 292 CG GLU A 18 13.401 -0.210 -7.630 1.00 1.16 C ATOM 293 CD GLU A 18 14.631 -0.790 -6.947 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.584 0.027 -6.839 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.656 -2.019 -6.667 1.00 2.33 O ATOM 0 H GLU A 18 10.132 -0.257 -6.391 1.00 0.68 H new ATOM 0 HA GLU A 18 12.751 -0.677 -5.108 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.776 1.133 -7.271 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.220 1.490 -6.345 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.774 -1.023 -7.996 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.711 0.370 -8.499 1.00 1.16 H new ATOM 302 N PRO A 19 12.293 1.585 -3.597 1.00 0.74 N ATOM 303 CA PRO A 19 11.838 2.559 -2.648 1.00 0.74 C ATOM 304 C PRO A 19 11.779 3.902 -3.289 1.00 0.70 C ATOM 305 O PRO A 19 11.280 4.847 -2.680 1.00 0.74 O ATOM 306 CB PRO A 19 12.818 2.440 -1.483 1.00 0.86 C ATOM 307 CG PRO A 19 14.121 1.953 -2.137 1.00 0.95 C ATOM 308 CD PRO A 19 13.671 1.172 -3.382 1.00 0.82 C ATOM 0 HA PRO A 19 10.823 2.399 -2.284 1.00 0.74 H new ATOM 0 HB2 PRO A 19 12.958 3.397 -0.980 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.461 1.735 -0.732 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.764 2.790 -2.407 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.691 1.319 -1.458 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.294 1.408 -4.244 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.742 0.096 -3.222 1.00 0.82 H new ATOM 316 N SER A 20 12.109 4.048 -4.585 1.00 0.70 N ATOM 317 CA SER A 20 11.900 5.265 -5.307 1.00 0.74 C ATOM 318 C SER A 20 10.512 5.371 -5.840 1.00 0.71 C ATOM 319 O SER A 20 10.073 6.441 -6.257 1.00 0.80 O ATOM 320 CB SER A 20 12.882 5.358 -6.487 1.00 0.89 C ATOM 321 OG SER A 20 12.845 4.101 -7.146 1.00 1.45 O ATOM 0 H SER A 20 12.530 3.305 -5.143 1.00 0.70 H new ATOM 0 HA SER A 20 12.066 6.081 -4.604 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.596 6.160 -7.167 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.889 5.582 -6.136 1.00 0.89 H new ATOM 0 HG SER A 20 13.458 4.114 -7.911 1.00 1.45 H new ATOM 327 N ASP A 21 9.773 4.252 -5.941 1.00 0.70 N ATOM 328 CA ASP A 21 8.395 4.170 -6.311 1.00 0.73 C ATOM 329 C ASP A 21 7.528 4.807 -5.279 1.00 0.64 C ATOM 330 O ASP A 21 7.804 4.919 -4.086 1.00 0.66 O ATOM 331 CB ASP A 21 7.868 2.773 -6.684 1.00 0.87 C ATOM 332 CG ASP A 21 8.823 2.156 -7.696 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.013 2.745 -8.794 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.253 1.005 -7.417 1.00 1.69 O ATOM 0 H ASP A 21 10.172 3.333 -5.748 1.00 0.70 H new ATOM 0 HA ASP A 21 8.342 4.728 -7.246 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.797 2.144 -5.796 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.865 2.845 -7.104 1.00 0.87 H new ATOM 339 N THR A 22 6.504 5.499 -5.808 1.00 0.63 N ATOM 340 CA THR A 22 5.525 6.180 -5.018 1.00 0.58 C ATOM 341 C THR A 22 4.436 5.334 -4.453 1.00 0.53 C ATOM 342 O THR A 22 4.245 4.272 -5.043 1.00 0.58 O ATOM 343 CB THR A 22 4.793 7.181 -5.863 1.00 0.63 C ATOM 344 OG1 THR A 22 4.505 6.713 -7.173 1.00 0.70 O ATOM 345 CG2 THR A 22 5.601 8.456 -6.151 1.00 0.75 C ATOM 0 H THR A 22 6.352 5.588 -6.813 1.00 0.63 H new ATOM 0 HA THR A 22 6.116 6.597 -4.203 1.00 0.58 H new ATOM 0 HB THR A 22 3.902 7.364 -5.263 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.027 7.409 -7.671 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.007 9.132 -6.767 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.852 8.948 -5.211 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.517 8.194 -6.680 1.00 0.75 H new ATOM 353 N ILE A 23 3.629 5.735 -3.455 1.00 0.51 N ATOM 354 CA ILE A 23 2.533 4.984 -2.926 1.00 0.48 C ATOM 355 C ILE A 23 1.477 4.792 -3.960 1.00 0.48 C ATOM 356 O ILE A 23 0.922 3.694 -3.995 1.00 0.51 O ATOM 357 CB ILE A 23 2.014 5.623 -1.672 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.119 5.997 -0.670 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.841 4.869 -1.023 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.108 4.883 -0.324 1.00 0.73 C ATOM 0 H ILE A 23 3.749 6.635 -2.991 1.00 0.51 H new ATOM 0 HA ILE A 23 2.882 3.989 -2.650 1.00 0.48 H new ATOM 0 HB ILE A 23 1.589 6.570 -2.006 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.678 6.841 -1.073 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.647 6.338 0.252 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.524 5.395 -0.122 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.009 4.817 -1.725 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.158 3.859 -0.761 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.842 5.257 0.389 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.570 4.043 0.115 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.617 4.554 -1.230 1.00 0.73 H new ATOM 372 N GLU A 24 1.248 5.802 -4.818 1.00 0.50 N ATOM 373 CA GLU A 24 0.448 5.731 -6.001 1.00 0.53 C ATOM 374 C GLU A 24 0.914 4.695 -6.965 1.00 0.50 C ATOM 375 O GLU A 24 0.065 4.021 -7.545 1.00 0.55 O ATOM 376 CB GLU A 24 0.350 7.106 -6.684 1.00 0.64 C ATOM 377 CG GLU A 24 -0.709 7.140 -7.788 1.00 0.95 C ATOM 378 CD GLU A 24 -0.544 8.349 -8.699 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.533 8.423 -9.350 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.433 9.241 -8.677 1.00 1.56 O ATOM 0 H GLU A 24 1.649 6.729 -4.675 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.547 5.426 -5.677 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.114 7.863 -5.936 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.320 7.367 -7.108 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.644 6.228 -8.381 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.702 7.158 -7.338 1.00 0.95 H new ATOM 387 N ASN A 25 2.233 4.440 -7.043 1.00 0.51 N ATOM 388 CA ASN A 25 2.848 3.408 -7.818 1.00 0.52 C ATOM 389 C ASN A 25 2.488 2.026 -7.395 1.00 0.47 C ATOM 390 O ASN A 25 2.276 1.094 -8.169 1.00 0.53 O ATOM 391 CB ASN A 25 4.327 3.688 -8.136 1.00 0.64 C ATOM 392 CG ASN A 25 4.887 2.703 -9.151 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.237 1.543 -8.935 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.850 3.122 -10.444 1.00 1.57 N ATOM 0 H ASN A 25 2.916 4.995 -6.528 1.00 0.51 H new ATOM 0 HA ASN A 25 2.387 3.446 -8.805 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.430 4.703 -8.521 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.912 3.635 -7.218 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.107 2.482 -11.195 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.565 4.077 -10.663 1.00 1.57 H new ATOM 401 N VAL A 26 2.412 1.845 -6.064 1.00 0.45 N ATOM 402 CA VAL A 26 1.984 0.634 -5.436 1.00 0.44 C ATOM 403 C VAL A 26 0.562 0.286 -5.710 1.00 0.40 C ATOM 404 O VAL A 26 0.175 -0.802 -6.132 1.00 0.44 O ATOM 405 CB VAL A 26 2.287 0.625 -3.967 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.145 -0.834 -3.499 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.745 1.048 -3.721 1.00 0.62 C ATOM 0 H VAL A 26 2.660 2.575 -5.397 1.00 0.45 H new ATOM 0 HA VAL A 26 2.574 -0.157 -5.900 1.00 0.44 H new ATOM 0 HB VAL A 26 1.619 1.307 -3.440 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.356 -0.896 -2.431 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.129 -1.180 -3.689 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.849 -1.461 -4.045 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.951 1.037 -2.651 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.416 0.353 -4.227 1.00 0.62 H new ATOM 0 HG23 VAL A 26 3.903 2.054 -4.111 1.00 0.62 H new ATOM 417 N LYS A 27 -0.312 1.300 -5.576 1.00 0.40 N ATOM 418 CA LYS A 27 -1.715 1.125 -5.790 1.00 0.41 C ATOM 419 C LYS A 27 -2.157 0.814 -7.178 1.00 0.38 C ATOM 420 O LYS A 27 -3.145 0.146 -7.482 1.00 0.42 O ATOM 421 CB LYS A 27 -2.540 2.359 -5.387 1.00 0.51 C ATOM 422 CG LYS A 27 -2.443 2.621 -3.882 1.00 0.76 C ATOM 423 CD LYS A 27 -3.278 3.873 -3.603 1.00 0.82 C ATOM 424 CE LYS A 27 -3.202 4.495 -2.208 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.957 5.769 -2.207 1.00 1.11 N ATOM 0 H LYS A 27 -0.043 2.249 -5.317 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.895 0.255 -5.158 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.185 3.232 -5.935 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.583 2.210 -5.667 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.820 1.770 -3.315 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.406 2.771 -3.581 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.986 4.636 -4.324 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.321 3.629 -3.803 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.617 3.811 -1.468 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.163 4.673 -1.931 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.786 6.273 -1.314 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.643 6.359 -3.003 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.973 5.570 -2.303 1.00 1.11 H new ATOM 439 N ALA A 28 -1.293 1.257 -8.108 1.00 0.39 N ATOM 440 CA ALA A 28 -1.378 1.027 -9.517 1.00 0.39 C ATOM 441 C ALA A 28 -1.160 -0.422 -9.789 1.00 0.36 C ATOM 442 O ALA A 28 -1.839 -1.162 -10.498 1.00 0.42 O ATOM 443 CB ALA A 28 -0.425 1.901 -10.349 1.00 0.51 C ATOM 0 H ALA A 28 -0.477 1.816 -7.857 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.378 1.322 -9.834 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.548 1.669 -11.407 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.655 2.953 -10.180 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.604 1.702 -10.051 1.00 0.51 H new ATOM 449 N LYS A 29 -0.161 -1.011 -9.108 1.00 0.39 N ATOM 450 CA LYS A 29 0.133 -2.410 -9.131 1.00 0.43 C ATOM 451 C LYS A 29 -0.957 -3.262 -8.580 1.00 0.44 C ATOM 452 O LYS A 29 -1.240 -4.338 -9.108 1.00 0.54 O ATOM 453 CB LYS A 29 1.413 -2.683 -8.323 1.00 0.54 C ATOM 454 CG LYS A 29 2.172 -3.962 -8.682 1.00 0.65 C ATOM 455 CD LYS A 29 3.191 -3.773 -9.808 1.00 1.08 C ATOM 456 CE LYS A 29 4.087 -4.961 -10.169 1.00 1.24 C ATOM 457 NZ LYS A 29 5.204 -4.497 -11.020 1.00 1.44 N ATOM 0 H LYS A 29 0.475 -0.483 -8.510 1.00 0.39 H new ATOM 0 HA LYS A 29 0.254 -2.674 -10.182 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.087 -1.836 -8.451 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.150 -2.725 -7.266 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.687 -4.330 -7.795 1.00 0.65 H new ATOM 0 HG3 LYS A 29 1.456 -4.729 -8.976 1.00 0.65 H new ATOM 0 HD2 LYS A 29 2.647 -3.479 -10.706 1.00 1.08 H new ATOM 0 HD3 LYS A 29 3.836 -2.937 -9.538 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.475 -5.426 -9.263 1.00 1.24 H new ATOM 0 HE3 LYS A 29 3.508 -5.721 -10.694 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 5.812 -5.304 -11.265 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.824 -4.073 -11.890 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.762 -3.787 -10.504 1.00 1.44 H new ATOM 471 N ILE A 30 -1.626 -2.829 -7.497 1.00 0.41 N ATOM 472 CA ILE A 30 -2.770 -3.492 -6.954 1.00 0.44 C ATOM 473 C ILE A 30 -3.954 -3.368 -7.851 1.00 0.45 C ATOM 474 O ILE A 30 -4.801 -4.252 -7.963 1.00 0.56 O ATOM 475 CB ILE A 30 -3.055 -3.032 -5.555 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.856 -3.525 -4.728 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.339 -3.629 -4.953 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.009 -3.237 -3.235 1.00 1.32 C ATOM 0 H ILE A 30 -1.362 -1.989 -6.982 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.541 -4.556 -6.893 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.199 -1.952 -5.551 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.735 -4.598 -4.876 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.947 -3.048 -5.094 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.477 -3.249 -3.941 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.194 -3.346 -5.566 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.257 -4.716 -4.925 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.133 -3.607 -2.701 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.101 -2.162 -3.079 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.901 -3.736 -2.858 1.00 1.32 H new ATOM 490 N GLN A 31 -4.164 -2.314 -8.659 1.00 0.41 N ATOM 491 CA GLN A 31 -5.219 -2.140 -9.610 1.00 0.48 C ATOM 492 C GLN A 31 -4.892 -3.005 -10.777 1.00 0.52 C ATOM 493 O GLN A 31 -5.819 -3.624 -11.299 1.00 0.66 O ATOM 494 CB GLN A 31 -5.236 -0.656 -10.011 1.00 0.52 C ATOM 495 CG GLN A 31 -6.295 -0.243 -11.035 1.00 0.70 C ATOM 496 CD GLN A 31 -6.149 1.205 -11.480 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.286 2.000 -11.110 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.162 1.682 -12.252 1.00 1.43 N ATOM 0 H GLN A 31 -3.536 -1.510 -8.644 1.00 0.41 H new ATOM 0 HA GLN A 31 -6.198 -2.412 -9.216 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.380 -0.060 -9.110 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.255 -0.398 -10.410 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.226 -0.895 -11.906 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.286 -0.389 -10.605 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.895 1.052 -12.577 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.188 2.670 -12.506 1.00 1.43 H new ATOM 507 N ASP A 32 -3.642 -3.098 -11.267 1.00 0.50 N ATOM 508 CA ASP A 32 -3.332 -4.123 -12.215 1.00 0.60 C ATOM 509 C ASP A 32 -3.633 -5.536 -11.848 1.00 0.65 C ATOM 510 O ASP A 32 -4.318 -6.318 -12.505 1.00 0.81 O ATOM 511 CB ASP A 32 -1.846 -3.890 -12.532 1.00 0.67 C ATOM 512 CG ASP A 32 -1.411 -4.594 -13.809 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.941 -4.206 -14.885 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.570 -5.531 -13.794 1.00 1.51 O ATOM 0 H ASP A 32 -2.867 -2.484 -11.017 1.00 0.50 H new ATOM 0 HA ASP A 32 -4.000 -4.026 -13.071 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.661 -2.820 -12.628 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.239 -4.245 -11.699 1.00 0.67 H new ATOM 519 N LYS A 33 -3.243 -5.939 -10.625 1.00 0.62 N ATOM 520 CA LYS A 33 -3.369 -7.305 -10.223 1.00 0.73 C ATOM 521 C LYS A 33 -4.647 -7.711 -9.572 1.00 0.69 C ATOM 522 O LYS A 33 -5.102 -8.786 -9.960 1.00 0.83 O ATOM 523 CB LYS A 33 -2.354 -7.502 -9.084 1.00 0.85 C ATOM 524 CG LYS A 33 -2.110 -8.905 -8.527 1.00 1.31 C ATOM 525 CD LYS A 33 -1.222 -8.862 -7.282 1.00 1.71 C ATOM 526 CE LYS A 33 -0.555 -10.200 -6.963 1.00 2.26 C ATOM 527 NZ LYS A 33 0.658 -10.348 -7.797 1.00 2.62 N ATOM 0 H LYS A 33 -2.843 -5.322 -9.918 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.256 -7.876 -11.145 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.395 -7.117 -9.431 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.669 -6.871 -8.253 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -3.064 -9.372 -8.280 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.640 -9.525 -9.290 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.451 -8.105 -7.421 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.823 -8.552 -6.427 1.00 1.71 H new ATOM 0 HE2 LYS A 33 -0.292 -10.247 -5.906 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -1.246 -11.020 -7.156 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 1.117 -11.257 -7.585 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.394 -10.320 -8.802 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.318 -9.571 -7.591 1.00 2.62 H new ATOM 541 N GLU A 34 -5.182 -6.899 -8.643 1.00 0.63 N ATOM 542 CA GLU A 34 -6.314 -7.302 -7.868 1.00 0.67 C ATOM 543 C GLU A 34 -7.535 -6.655 -8.424 1.00 0.69 C ATOM 544 O GLU A 34 -8.612 -7.248 -8.412 1.00 0.95 O ATOM 545 CB GLU A 34 -6.216 -6.991 -6.365 1.00 0.73 C ATOM 546 CG GLU A 34 -5.173 -7.815 -5.608 1.00 0.83 C ATOM 547 CD GLU A 34 -5.770 -9.086 -5.021 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.775 -8.976 -4.270 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.248 -10.186 -5.349 1.00 1.48 O ATOM 0 H GLU A 34 -4.832 -5.965 -8.429 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.356 -8.389 -7.941 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.983 -5.933 -6.241 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.192 -7.158 -5.909 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.357 -8.075 -6.282 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.745 -7.212 -4.807 1.00 0.83 H new ATOM 556 N GLY A 35 -7.377 -5.407 -8.900 1.00 0.63 N ATOM 557 CA GLY A 35 -8.503 -4.779 -9.521 1.00 0.68 C ATOM 558 C GLY A 35 -9.269 -3.891 -8.603 1.00 0.76 C ATOM 559 O GLY A 35 -10.484 -4.041 -8.477 1.00 1.12 O ATOM 0 H GLY A 35 -6.519 -4.856 -8.861 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.158 -4.195 -10.375 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.170 -5.549 -9.909 1.00 0.68 H new ATOM 563 N ILE A 36 -8.556 -2.914 -8.014 1.00 0.70 N ATOM 564 CA ILE A 36 -9.161 -2.060 -7.040 1.00 0.76 C ATOM 565 C ILE A 36 -8.713 -0.699 -7.447 1.00 0.71 C ATOM 566 O ILE A 36 -7.512 -0.547 -7.663 1.00 0.73 O ATOM 567 CB ILE A 36 -8.718 -2.396 -5.647 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.612 -3.896 -5.324 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.642 -1.755 -4.598 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.077 -4.318 -3.956 1.00 1.16 C ATOM 0 H ILE A 36 -7.574 -2.717 -8.208 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.246 -2.158 -7.013 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.708 -1.988 -5.602 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.606 -4.329 -5.438 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.976 -4.353 -6.082 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.295 -2.017 -3.599 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.628 -0.671 -4.714 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.659 -2.122 -4.736 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.066 -5.406 -3.889 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.064 -3.937 -3.828 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.719 -3.913 -3.174 1.00 1.16 H new ATOM 582 N PRO A 37 -9.504 0.323 -7.587 1.00 0.75 N ATOM 583 CA PRO A 37 -8.972 1.609 -7.935 1.00 0.79 C ATOM 584 C PRO A 37 -8.108 2.273 -6.920 1.00 0.75 C ATOM 585 O PRO A 37 -8.366 1.966 -5.758 1.00 0.75 O ATOM 586 CB PRO A 37 -10.245 2.414 -8.185 1.00 0.95 C ATOM 587 CG PRO A 37 -11.345 1.461 -8.680 1.00 1.02 C ATOM 588 CD PRO A 37 -10.921 0.209 -7.897 1.00 0.85 C ATOM 0 HA PRO A 37 -8.282 1.524 -8.775 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.562 2.913 -7.269 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.060 3.193 -8.925 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.348 1.802 -8.424 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.324 1.313 -9.760 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.504 0.119 -6.981 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.110 -0.689 -8.485 1.00 0.85 H new ATOM 596 N PRO A 38 -7.207 3.135 -7.288 1.00 0.81 N ATOM 597 CA PRO A 38 -6.286 3.767 -6.389 1.00 0.85 C ATOM 598 C PRO A 38 -7.029 4.530 -5.346 1.00 0.89 C ATOM 599 O PRO A 38 -6.536 4.630 -4.224 1.00 0.99 O ATOM 600 CB PRO A 38 -5.409 4.728 -7.188 1.00 1.01 C ATOM 601 CG PRO A 38 -5.368 4.086 -8.584 1.00 1.25 C ATOM 602 CD PRO A 38 -6.560 3.115 -8.591 1.00 0.98 C ATOM 0 HA PRO A 38 -5.673 3.009 -5.901 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.834 5.731 -7.218 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.412 4.817 -6.756 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.461 4.836 -9.370 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.427 3.562 -8.753 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.271 3.400 -9.367 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.220 2.106 -8.825 1.00 0.98 H new ATOM 610 N ASP A 39 -8.204 5.064 -5.724 1.00 0.96 N ATOM 611 CA ASP A 39 -9.120 5.783 -4.893 1.00 1.11 C ATOM 612 C ASP A 39 -9.561 5.051 -3.672 1.00 1.00 C ATOM 613 O ASP A 39 -9.320 5.372 -2.510 1.00 1.14 O ATOM 614 CB ASP A 39 -10.311 6.222 -5.762 1.00 1.39 C ATOM 615 CG ASP A 39 -9.917 6.845 -7.093 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.537 8.044 -7.024 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.910 6.216 -8.185 1.00 2.23 O ATOM 0 H ASP A 39 -8.538 4.987 -6.685 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.594 6.650 -4.493 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.946 5.356 -5.953 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.910 6.939 -5.201 1.00 1.39 H new ATOM 622 N GLN A 40 -10.145 3.877 -3.973 1.00 0.87 N ATOM 623 CA GLN A 40 -10.732 2.925 -3.082 1.00 0.84 C ATOM 624 C GLN A 40 -9.709 2.401 -2.135 1.00 0.67 C ATOM 625 O GLN A 40 -10.009 2.012 -1.007 1.00 0.80 O ATOM 626 CB GLN A 40 -11.371 1.857 -3.984 1.00 0.95 C ATOM 627 CG GLN A 40 -12.282 0.876 -3.243 1.00 1.32 C ATOM 628 CD GLN A 40 -12.812 -0.187 -4.193 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.858 -1.330 -3.739 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.268 0.165 -5.425 1.00 2.02 N ATOM 0 H GLN A 40 -10.211 3.565 -4.942 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.499 3.353 -2.436 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.948 2.354 -4.764 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.580 1.296 -4.481 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.731 0.403 -2.431 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.115 1.415 -2.791 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.198 1.133 -5.737 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.680 -0.539 -6.037 1.00 2.02 H new ATOM 639 N GLN A 41 -8.430 2.407 -2.552 1.00 0.56 N ATOM 640 CA GLN A 41 -7.349 1.822 -1.822 1.00 0.51 C ATOM 641 C GLN A 41 -6.704 2.909 -1.033 1.00 0.49 C ATOM 642 O GLN A 41 -6.265 3.938 -1.544 1.00 0.65 O ATOM 643 CB GLN A 41 -6.205 1.382 -2.753 1.00 0.67 C ATOM 644 CG GLN A 41 -6.572 0.222 -3.680 1.00 0.69 C ATOM 645 CD GLN A 41 -5.301 -0.148 -4.430 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.251 -0.428 -3.852 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.373 -0.292 -5.782 1.00 0.61 N ATOM 0 H GLN A 41 -8.138 2.835 -3.430 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.759 0.990 -1.250 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.894 2.234 -3.358 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.347 1.092 -2.146 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.947 -0.627 -3.109 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.361 0.514 -4.373 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.237 -0.064 -6.274 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.563 -0.628 -6.303 1.00 0.61 H new ATOM 656 N ARG A 42 -6.507 2.605 0.262 1.00 0.47 N ATOM 657 CA ARG A 42 -5.689 3.357 1.162 1.00 0.55 C ATOM 658 C ARG A 42 -4.577 2.506 1.670 1.00 0.46 C ATOM 659 O ARG A 42 -4.790 1.383 2.124 1.00 0.52 O ATOM 660 CB ARG A 42 -6.489 3.703 2.429 1.00 0.73 C ATOM 661 CG ARG A 42 -7.747 4.556 2.261 1.00 1.04 C ATOM 662 CD ARG A 42 -8.535 4.661 3.568 1.00 1.28 C ATOM 663 NE ARG A 42 -9.709 5.561 3.381 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.888 5.348 4.035 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.959 4.668 5.217 1.00 2.34 N ATOM 666 NH2 ARG A 42 -12.008 6.058 3.711 1.00 2.78 N ATOM 0 H ARG A 42 -6.940 1.794 0.703 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.340 4.237 0.622 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.779 2.768 2.909 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.821 4.221 3.117 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.468 5.554 1.922 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.381 4.122 1.487 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.870 3.672 3.881 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.893 5.046 4.360 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.629 6.357 2.748 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.110 4.297 5.644 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.861 4.531 5.673 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.971 6.759 2.971 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.882 5.887 4.209 1.00 2.78 H new ATOM 680 N LEU A 43 -3.334 3.018 1.638 1.00 0.46 N ATOM 681 CA LEU A 43 -2.210 2.277 2.123 1.00 0.42 C ATOM 682 C LEU A 43 -1.800 2.985 3.369 1.00 0.43 C ATOM 683 O LEU A 43 -1.365 4.135 3.371 1.00 0.55 O ATOM 684 CB LEU A 43 -1.207 2.054 0.979 1.00 0.55 C ATOM 685 CG LEU A 43 -0.340 0.784 0.992 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.047 -0.501 0.524 1.00 1.17 C ATOM 687 CD2 LEU A 43 0.931 0.966 0.147 1.00 1.12 C ATOM 0 H LEU A 43 -3.107 3.944 1.277 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.383 1.244 2.424 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.766 2.063 0.043 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.535 2.912 0.957 1.00 0.55 H new ATOM 0 HG LEU A 43 -0.100 0.650 2.047 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.350 -1.338 0.571 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -1.900 -0.703 1.171 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -1.392 -0.373 -0.502 1.00 1.17 H new ATOM 0 HD21 LEU A 43 1.522 0.051 0.177 1.00 1.12 H new ATOM 0 HD22 LEU A 43 0.654 1.186 -0.884 1.00 1.12 H new ATOM 0 HD23 LEU A 43 1.520 1.791 0.548 1.00 1.12 H new ATOM 699 N ILE A 44 -1.840 2.247 4.492 1.00 0.42 N ATOM 700 CA ILE A 44 -1.493 2.645 5.821 1.00 0.46 C ATOM 701 C ILE A 44 -0.189 2.121 6.318 1.00 0.42 C ATOM 702 O ILE A 44 0.103 0.985 5.952 1.00 0.53 O ATOM 703 CB ILE A 44 -2.597 2.523 6.829 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.025 2.705 6.287 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.372 3.402 8.071 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.162 2.568 7.297 1.00 1.27 C ATOM 0 H ILE A 44 -2.146 1.275 4.464 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.336 3.718 5.706 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.534 1.475 7.124 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.093 3.692 5.830 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.184 1.975 5.494 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.203 3.272 8.764 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.442 3.110 8.560 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.311 4.448 7.770 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.117 2.717 6.793 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.137 1.572 7.740 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.045 3.316 8.081 1.00 1.27 H new ATOM 718 N PHE A 45 0.673 2.794 7.100 1.00 0.42 N ATOM 719 CA PHE A 45 1.932 2.363 7.623 1.00 0.46 C ATOM 720 C PHE A 45 2.098 3.226 8.826 1.00 0.68 C ATOM 721 O PHE A 45 2.198 4.451 8.770 1.00 1.50 O ATOM 722 CB PHE A 45 3.054 2.503 6.579 1.00 0.56 C ATOM 723 CG PHE A 45 4.426 2.352 7.141 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.800 1.101 7.573 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.272 3.412 7.366 1.00 1.19 C ATOM 726 CE1 PHE A 45 6.055 0.899 8.094 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.499 3.195 7.948 1.00 1.33 C ATOM 728 CZ PHE A 45 6.904 1.948 8.360 1.00 1.02 C ATOM 0 H PHE A 45 0.461 3.746 7.397 1.00 0.42 H new ATOM 0 HA PHE A 45 1.976 1.305 7.881 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.907 1.755 5.800 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.973 3.480 6.102 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.106 0.276 7.503 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.974 4.412 7.087 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.383 -0.109 8.300 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.167 4.033 8.086 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.845 1.799 8.869 1.00 1.02 H new ATOM 738 N ALA A 46 2.264 2.503 9.948 1.00 0.81 N ATOM 739 CA ALA A 46 2.662 3.058 11.204 1.00 0.96 C ATOM 740 C ALA A 46 1.746 4.047 11.839 1.00 0.97 C ATOM 741 O ALA A 46 2.188 4.915 12.590 1.00 1.21 O ATOM 742 CB ALA A 46 4.127 3.524 11.196 1.00 1.20 C ATOM 0 H ALA A 46 2.115 1.494 9.981 1.00 0.81 H new ATOM 0 HA ALA A 46 2.574 2.206 11.878 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.382 3.938 12.171 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.777 2.676 10.980 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.261 4.289 10.431 1.00 1.20 H new ATOM 748 N GLY A 47 0.446 3.857 11.551 1.00 0.99 N ATOM 749 CA GLY A 47 -0.594 4.753 11.951 1.00 1.10 C ATOM 750 C GLY A 47 -0.971 5.803 10.963 1.00 1.03 C ATOM 751 O GLY A 47 -2.060 6.371 11.015 1.00 1.30 O ATOM 0 H GLY A 47 0.108 3.053 11.022 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.482 4.166 12.183 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.287 5.245 12.874 1.00 1.10 H new ATOM 755 N LYS A 48 -0.033 6.111 10.050 1.00 0.98 N ATOM 756 CA LYS A 48 -0.314 7.162 9.121 1.00 1.05 C ATOM 757 C LYS A 48 -0.768 6.685 7.784 1.00 0.84 C ATOM 758 O LYS A 48 -0.132 5.833 7.166 1.00 0.81 O ATOM 759 CB LYS A 48 0.998 7.955 9.003 1.00 1.42 C ATOM 760 CG LYS A 48 1.003 9.155 8.053 1.00 1.61 C ATOM 761 CD LYS A 48 2.434 9.669 7.884 1.00 1.87 C ATOM 762 CE LYS A 48 2.880 10.599 9.014 1.00 2.22 C ATOM 763 NZ LYS A 48 4.012 11.411 8.516 1.00 2.55 N ATOM 0 H LYS A 48 0.876 5.659 9.954 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.147 7.764 9.484 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.270 8.309 9.997 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.782 7.268 8.684 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.592 8.867 7.085 1.00 1.61 H new ATOM 0 HG3 LYS A 48 0.366 9.946 8.447 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.114 8.819 7.832 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.513 10.198 6.934 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.057 11.242 9.326 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.181 10.021 9.888 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.335 12.054 9.267 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.793 10.784 8.237 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.705 11.967 7.693 1.00 2.55 H new ATOM 777 N GLN A 49 -1.871 7.231 7.243 1.00 0.84 N ATOM 778 CA GLN A 49 -2.200 6.852 5.904 1.00 0.80 C ATOM 779 C GLN A 49 -1.324 7.496 4.885 1.00 0.72 C ATOM 780 O GLN A 49 -1.116 8.702 5.000 1.00 0.83 O ATOM 781 CB GLN A 49 -3.643 7.336 5.685 1.00 1.03 C ATOM 782 CG GLN A 49 -4.394 6.883 4.430 1.00 1.67 C ATOM 783 CD GLN A 49 -5.751 7.570 4.481 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.719 7.138 5.104 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.905 8.703 3.743 1.00 2.48 N ATOM 0 H GLN A 49 -2.500 7.893 7.697 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.072 5.776 5.787 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.229 7.025 6.550 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.628 8.426 5.685 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.849 7.162 3.528 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.506 5.799 4.413 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.116 9.081 3.218 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.809 9.175 3.715 1.00 2.48 H new ATOM 794 N LEU A 50 -0.763 6.710 3.950 1.00 0.69 N ATOM 795 CA LEU A 50 0.234 7.253 3.080 1.00 0.66 C ATOM 796 C LEU A 50 -0.223 8.129 1.964 1.00 0.72 C ATOM 797 O LEU A 50 -1.255 7.873 1.347 1.00 0.90 O ATOM 798 CB LEU A 50 1.048 6.052 2.567 1.00 0.65 C ATOM 799 CG LEU A 50 1.768 5.166 3.596 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.701 4.137 2.937 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.472 5.975 4.699 1.00 0.74 C ATOM 0 H LEU A 50 -0.990 5.727 3.797 1.00 0.69 H new ATOM 0 HA LEU A 50 0.821 7.961 3.666 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.375 5.415 1.993 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.798 6.431 1.872 1.00 0.65 H new ATOM 0 HG LEU A 50 0.985 4.597 4.097 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.184 3.538 3.708 1.00 0.77 H new ATOM 0 HD12 LEU A 50 2.121 3.487 2.282 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.460 4.656 2.352 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.962 5.293 5.394 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.217 6.632 4.249 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.737 6.574 5.236 1.00 0.74 H new ATOM 813 N GLU A 51 0.463 9.227 1.603 1.00 0.70 N ATOM 814 CA GLU A 51 0.094 10.072 0.509 1.00 0.76 C ATOM 815 C GLU A 51 0.597 9.513 -0.778 1.00 0.77 C ATOM 816 O GLU A 51 1.636 8.855 -0.817 1.00 1.23 O ATOM 817 CB GLU A 51 0.534 11.524 0.756 1.00 0.88 C ATOM 818 CG GLU A 51 0.220 12.125 2.128 1.00 1.35 C ATOM 819 CD GLU A 51 -1.231 12.546 2.316 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.753 13.392 1.542 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.885 11.980 3.233 1.00 1.94 O ATOM 0 H GLU A 51 1.304 9.538 2.089 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.993 10.098 0.433 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.611 11.582 0.600 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.068 12.152 -0.003 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.476 11.396 2.897 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.860 12.993 2.285 1.00 1.35 H new ATOM 828 N ASP A 52 -0.287 9.534 -1.791 1.00 0.66 N ATOM 829 CA ASP A 52 -0.157 8.928 -3.079 1.00 0.65 C ATOM 830 C ASP A 52 1.084 9.355 -3.786 1.00 0.60 C ATOM 831 O ASP A 52 1.986 8.560 -4.048 1.00 0.62 O ATOM 832 CB ASP A 52 -1.337 9.420 -3.934 1.00 0.81 C ATOM 833 CG ASP A 52 -2.658 9.066 -3.265 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.025 9.867 -2.365 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.295 7.997 -3.459 1.00 1.44 O ATOM 0 H ASP A 52 -1.177 10.023 -1.697 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.130 7.847 -2.944 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.269 10.499 -4.073 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.291 8.968 -4.925 1.00 0.81 H new ATOM 840 N GLY A 53 1.211 10.645 -4.141 1.00 0.68 N ATOM 841 CA GLY A 53 2.394 11.245 -4.676 1.00 0.73 C ATOM 842 C GLY A 53 3.422 11.549 -3.641 1.00 0.72 C ATOM 843 O GLY A 53 3.949 12.659 -3.676 1.00 0.97 O ATOM 0 H GLY A 53 0.442 11.309 -4.049 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.826 10.578 -5.422 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.124 12.167 -5.191 1.00 0.73 H new ATOM 847 N ARG A 54 3.809 10.526 -2.858 1.00 0.64 N ATOM 848 CA ARG A 54 5.027 10.537 -2.108 1.00 0.63 C ATOM 849 C ARG A 54 5.794 9.276 -2.311 1.00 0.59 C ATOM 850 O ARG A 54 5.130 8.312 -2.692 1.00 0.62 O ATOM 851 CB ARG A 54 4.719 10.803 -0.626 1.00 0.69 C ATOM 852 CG ARG A 54 5.987 11.120 0.170 1.00 0.82 C ATOM 853 CD ARG A 54 6.264 12.602 0.425 1.00 1.18 C ATOM 854 NE ARG A 54 5.117 13.160 1.195 1.00 1.50 N ATOM 855 CZ ARG A 54 4.749 12.938 2.490 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.637 12.379 3.363 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.539 13.313 2.999 1.00 2.49 N ATOM 0 H ARG A 54 3.263 9.672 -2.743 1.00 0.64 H new ATOM 0 HA ARG A 54 5.664 11.345 -2.468 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.021 11.636 -0.544 1.00 0.69 H new ATOM 0 HB3 ARG A 54 4.228 9.931 -0.195 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.925 10.611 1.132 1.00 0.82 H new ATOM 0 HG3 ARG A 54 6.840 10.697 -0.360 1.00 0.82 H new ATOM 0 HD2 ARG A 54 7.193 12.726 0.982 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.385 13.135 -0.518 1.00 1.18 H new ATOM 0 HE ARG A 54 4.518 13.803 0.677 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.574 12.128 3.047 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.364 12.212 4.331 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.859 13.784 2.403 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.315 13.122 3.976 1.00 2.49 H new ATOM 871 N THR A 55 7.096 9.054 -2.057 1.00 0.63 N ATOM 872 CA THR A 55 7.811 7.828 -2.231 1.00 0.61 C ATOM 873 C THR A 55 7.914 7.045 -0.967 1.00 0.59 C ATOM 874 O THR A 55 7.916 7.571 0.146 1.00 0.64 O ATOM 875 CB THR A 55 9.226 8.025 -2.688 1.00 0.68 C ATOM 876 OG1 THR A 55 10.063 8.695 -1.757 1.00 0.75 O ATOM 877 CG2 THR A 55 9.281 8.786 -4.023 1.00 0.76 C ATOM 0 H THR A 55 7.698 9.796 -1.700 1.00 0.63 H new ATOM 0 HA THR A 55 7.229 7.301 -2.987 1.00 0.61 H new ATOM 0 HB THR A 55 9.612 7.012 -2.800 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.893 8.187 -1.639 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.320 8.913 -4.327 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.746 8.221 -4.786 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.816 9.765 -3.903 1.00 0.76 H new ATOM 885 N LEU A 56 8.096 5.723 -1.134 1.00 0.58 N ATOM 886 CA LEU A 56 8.353 4.770 -0.100 1.00 0.59 C ATOM 887 C LEU A 56 9.569 5.069 0.710 1.00 0.64 C ATOM 888 O LEU A 56 9.737 4.567 1.819 1.00 0.70 O ATOM 889 CB LEU A 56 8.468 3.371 -0.729 1.00 0.60 C ATOM 890 CG LEU A 56 7.283 2.733 -1.473 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.766 1.784 -2.583 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.338 1.996 -0.510 1.00 1.03 C ATOM 0 H LEU A 56 8.061 5.291 -2.057 1.00 0.58 H new ATOM 0 HA LEU A 56 7.515 4.820 0.595 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.303 3.404 -1.429 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.749 2.685 0.070 1.00 0.60 H new ATOM 0 HG LEU A 56 6.723 3.545 -1.936 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.905 1.349 -3.090 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.367 2.341 -3.302 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.369 0.989 -2.145 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.513 1.559 -1.073 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.886 1.206 0.004 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.944 2.700 0.223 1.00 1.03 H new ATOM 904 N SER A 57 10.563 5.815 0.195 1.00 0.68 N ATOM 905 CA SER A 57 11.754 6.219 0.876 1.00 0.75 C ATOM 906 C SER A 57 11.598 7.365 1.817 1.00 0.76 C ATOM 907 O SER A 57 12.337 7.532 2.786 1.00 0.84 O ATOM 908 CB SER A 57 12.966 6.621 0.019 1.00 0.84 C ATOM 909 OG SER A 57 12.763 7.567 -1.019 1.00 1.19 O ATOM 0 H SER A 57 10.531 6.159 -0.765 1.00 0.68 H new ATOM 0 HA SER A 57 11.943 5.274 1.385 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.731 7.017 0.687 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.373 5.715 -0.430 1.00 0.84 H new ATOM 0 HG SER A 57 13.611 7.733 -1.481 1.00 1.19 H new ATOM 915 N ASP A 58 10.637 8.280 1.595 1.00 0.75 N ATOM 916 CA ASP A 58 10.266 9.339 2.482 1.00 0.78 C ATOM 917 C ASP A 58 9.617 8.920 3.756 1.00 0.77 C ATOM 918 O ASP A 58 9.797 9.529 4.809 1.00 0.86 O ATOM 919 CB ASP A 58 9.408 10.357 1.714 1.00 0.83 C ATOM 920 CG ASP A 58 9.478 11.718 2.391 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.439 12.529 2.478 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.364 12.092 2.845 1.00 1.86 O ATOM 0 H ASP A 58 10.083 8.279 0.739 1.00 0.75 H new ATOM 0 HA ASP A 58 11.198 9.795 2.818 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.758 10.436 0.685 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.374 10.015 1.674 1.00 0.83 H new ATOM 927 N TYR A 59 8.825 7.837 3.659 1.00 0.72 N ATOM 928 CA TYR A 59 8.182 7.203 4.767 1.00 0.73 C ATOM 929 C TYR A 59 9.116 6.219 5.384 1.00 0.76 C ATOM 930 O TYR A 59 8.866 5.733 6.485 1.00 0.89 O ATOM 931 CB TYR A 59 6.942 6.473 4.225 1.00 0.73 C ATOM 932 CG TYR A 59 5.883 7.485 3.950 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.591 8.490 4.843 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.157 7.452 2.784 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.498 9.313 4.707 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.083 8.292 2.607 1.00 0.70 C ATOM 937 CZ TYR A 59 3.798 9.277 3.523 1.00 0.74 C ATOM 938 OH TYR A 59 2.867 10.307 3.275 1.00 0.86 O ATOM 0 H TYR A 59 8.624 7.383 2.768 1.00 0.72 H new ATOM 0 HA TYR A 59 7.896 7.935 5.522 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.191 5.928 3.315 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.587 5.740 4.949 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.248 8.639 5.687 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.432 6.761 2.001 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.197 9.971 5.509 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.454 8.177 1.736 1.00 0.70 H new ATOM 0 HH TYR A 59 3.024 10.683 2.384 1.00 0.86 H new ATOM 948 N ASN A 60 10.277 5.920 4.776 1.00 0.74 N ATOM 949 CA ASN A 60 11.267 5.015 5.272 1.00 0.79 C ATOM 950 C ASN A 60 10.731 3.638 5.470 1.00 0.75 C ATOM 951 O ASN A 60 10.819 3.045 6.545 1.00 0.86 O ATOM 952 CB ASN A 60 11.967 5.464 6.566 1.00 0.95 C ATOM 953 CG ASN A 60 12.747 6.765 6.456 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.968 6.741 6.305 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.141 7.979 6.554 1.00 1.83 N ATOM 0 H ASN A 60 10.541 6.336 3.883 1.00 0.74 H new ATOM 0 HA ASN A 60 12.018 5.014 4.482 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.216 5.573 7.349 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.648 4.675 6.885 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.697 8.832 6.502 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.130 8.036 6.680 1.00 1.83 H new ATOM 962 N ILE A 61 10.127 3.047 4.424 1.00 0.67 N ATOM 963 CA ILE A 61 9.650 1.700 4.367 1.00 0.65 C ATOM 964 C ILE A 61 10.783 0.821 3.960 1.00 0.66 C ATOM 965 O ILE A 61 11.353 0.813 2.870 1.00 0.75 O ATOM 966 CB ILE A 61 8.443 1.587 3.484 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.264 2.281 4.188 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.175 0.085 3.292 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.319 2.904 3.161 1.00 0.82 C ATOM 0 H ILE A 61 9.960 3.550 3.553 1.00 0.67 H new ATOM 0 HA ILE A 61 9.306 1.370 5.347 1.00 0.65 H new ATOM 0 HB ILE A 61 8.586 2.061 2.513 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.722 1.559 4.799 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.638 3.052 4.862 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.302 -0.050 2.654 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.042 -0.383 2.825 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.991 -0.379 4.261 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.491 3.390 3.677 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.861 3.641 2.568 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.930 2.125 2.505 1.00 0.82 H new ATOM 981 N GLN A 62 11.199 -0.066 4.882 1.00 0.67 N ATOM 982 CA GLN A 62 12.249 -1.008 4.649 1.00 0.70 C ATOM 983 C GLN A 62 11.717 -2.296 4.121 1.00 0.62 C ATOM 984 O GLN A 62 10.505 -2.312 3.909 1.00 0.64 O ATOM 985 CB GLN A 62 12.857 -1.465 5.986 1.00 0.85 C ATOM 986 CG GLN A 62 13.547 -0.328 6.740 1.00 1.27 C ATOM 987 CD GLN A 62 14.226 -0.892 7.980 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.114 -2.068 8.321 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.953 -0.004 8.710 1.00 2.16 N ATOM 0 H GLN A 62 10.793 -0.130 5.816 1.00 0.67 H new ATOM 0 HA GLN A 62 12.943 -0.507 3.974 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.071 -1.886 6.613 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.577 -2.261 5.799 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.281 0.158 6.098 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.819 0.432 7.023 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.029 0.966 8.404 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.422 -0.308 9.563 1.00 2.16 H new ATOM 998 N LYS A 63 12.519 -3.322 3.780 1.00 0.64 N ATOM 999 CA LYS A 63 11.856 -4.499 3.313 1.00 0.62 C ATOM 1000 C LYS A 63 11.161 -5.258 4.390 1.00 0.59 C ATOM 1001 O LYS A 63 11.482 -5.188 5.575 1.00 0.66 O ATOM 1002 CB LYS A 63 12.891 -5.422 2.650 1.00 0.74 C ATOM 1003 CG LYS A 63 13.721 -6.354 3.537 1.00 0.89 C ATOM 1004 CD LYS A 63 14.912 -6.919 2.760 1.00 1.11 C ATOM 1005 CE LYS A 63 15.767 -7.893 3.575 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.205 -9.248 3.380 1.00 2.12 N ATOM 0 H LYS A 63 13.538 -3.345 3.820 1.00 0.64 H new ATOM 0 HA LYS A 63 11.091 -4.172 2.608 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.365 -6.040 1.923 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.584 -4.793 2.091 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.076 -5.810 4.413 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.097 -7.170 3.900 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.545 -7.428 1.869 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.539 -6.094 2.421 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.806 -7.858 3.247 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.756 -7.622 4.631 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.929 -9.960 3.606 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.385 -9.377 4.007 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.906 -9.361 2.390 1.00 2.12 H new ATOM 1020 N GLU A 64 10.236 -6.083 3.866 1.00 0.57 N ATOM 1021 CA GLU A 64 9.444 -6.996 4.630 1.00 0.58 C ATOM 1022 C GLU A 64 8.500 -6.383 5.607 1.00 0.56 C ATOM 1023 O GLU A 64 8.185 -6.914 6.671 1.00 0.70 O ATOM 1024 CB GLU A 64 10.152 -8.258 5.149 1.00 0.72 C ATOM 1025 CG GLU A 64 10.806 -9.126 4.070 1.00 0.96 C ATOM 1026 CD GLU A 64 11.772 -10.220 4.502 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.974 -9.906 4.714 1.00 1.71 O ATOM 1028 OE2 GLU A 64 11.404 -11.413 4.664 1.00 1.69 O ATOM 0 H GLU A 64 10.032 -6.115 2.867 1.00 0.57 H new ATOM 0 HA GLU A 64 8.794 -7.387 3.847 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.917 -7.958 5.865 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.428 -8.865 5.692 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.008 -9.597 3.495 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.340 -8.462 3.390 1.00 0.96 H new ATOM 1035 N SER A 65 8.019 -5.196 5.198 1.00 0.51 N ATOM 1036 CA SER A 65 7.340 -4.325 6.105 1.00 0.51 C ATOM 1037 C SER A 65 5.863 -4.437 5.933 1.00 0.43 C ATOM 1038 O SER A 65 5.413 -4.379 4.790 1.00 0.50 O ATOM 1039 CB SER A 65 7.936 -2.920 5.919 1.00 0.65 C ATOM 1040 OG SER A 65 7.505 -2.063 6.966 1.00 1.04 O ATOM 0 H SER A 65 8.099 -4.841 4.245 1.00 0.51 H new ATOM 0 HA SER A 65 7.493 -4.600 7.149 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.024 -2.977 5.910 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.630 -2.512 4.956 1.00 0.65 H new ATOM 0 HG SER A 65 7.891 -1.171 6.839 1.00 1.04 H new ATOM 1046 N THR A 66 5.041 -4.657 6.975 1.00 0.45 N ATOM 1047 CA THR A 66 3.619 -4.751 6.865 1.00 0.45 C ATOM 1048 C THR A 66 2.884 -3.467 6.684 1.00 0.43 C ATOM 1049 O THR A 66 2.656 -2.692 7.612 1.00 0.58 O ATOM 1050 CB THR A 66 2.999 -5.707 7.841 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.744 -6.893 8.072 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.595 -6.015 7.296 1.00 0.78 C ATOM 0 H THR A 66 5.380 -4.774 7.930 1.00 0.45 H new ATOM 0 HA THR A 66 3.477 -5.217 5.890 1.00 0.45 H new ATOM 0 HB THR A 66 2.970 -5.241 8.826 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.270 -7.456 8.719 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.089 -6.710 7.966 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.020 -5.091 7.229 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.679 -6.462 6.306 1.00 0.78 H new ATOM 1060 N LEU A 67 2.603 -3.070 5.431 1.00 0.38 N ATOM 1061 CA LEU A 67 1.828 -1.967 4.955 1.00 0.38 C ATOM 1062 C LEU A 67 0.428 -2.467 5.048 1.00 0.37 C ATOM 1063 O LEU A 67 0.235 -3.681 5.034 1.00 0.50 O ATOM 1064 CB LEU A 67 2.235 -1.582 3.523 1.00 0.46 C ATOM 1065 CG LEU A 67 3.741 -1.322 3.352 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.195 -0.938 1.934 1.00 1.40 C ATOM 1067 CD2 LEU A 67 4.389 -0.353 4.355 1.00 1.31 C ATOM 0 H LEU A 67 2.975 -3.602 4.644 1.00 0.38 H new ATOM 0 HA LEU A 67 1.970 -1.051 5.528 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.934 -2.380 2.843 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.686 -0.688 3.228 1.00 0.46 H new ATOM 0 HG LEU A 67 4.111 -2.323 3.576 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.273 -0.778 1.928 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.944 -1.741 1.241 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.691 -0.022 1.626 1.00 1.40 H new ATOM 0 HD21 LEU A 67 5.451 -0.253 4.130 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.909 0.623 4.281 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.267 -0.741 5.366 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.601 -1.606 5.136 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.958 -2.003 5.350 1.00 0.37 C ATOM 1081 C HIS A 68 -2.891 -1.472 4.316 1.00 0.35 C ATOM 1082 O HIS A 68 -2.982 -0.258 4.139 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.547 -1.564 6.701 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.892 -2.165 7.909 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.696 -1.605 8.310 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.981 -3.338 8.592 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.171 -2.412 9.270 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.926 -3.475 9.470 1.00 1.51 N ATOM 0 H HIS A 68 -0.484 -0.596 5.055 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.887 -3.090 5.308 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.479 -0.478 6.773 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.607 -1.819 6.717 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.771 -4.064 8.464 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.747 -2.209 9.801 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.764 -4.235 10.131 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.620 -2.327 3.579 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.520 -1.909 2.549 1.00 0.38 C ATOM 1098 C LEU A 69 -5.870 -1.871 3.180 1.00 0.41 C ATOM 1099 O LEU A 69 -6.458 -2.874 3.583 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.348 -2.882 1.370 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.262 -2.603 0.164 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.596 -1.688 -0.877 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.630 -3.941 -0.499 1.00 1.14 C ATOM 0 H LEU A 69 -3.583 -3.339 3.702 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.339 -0.918 2.133 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.311 -2.848 1.037 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.536 -3.896 1.724 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.151 -2.088 0.530 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.282 -1.522 -1.708 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.347 -0.732 -0.415 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.686 -2.160 -1.247 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.278 -3.756 -1.356 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.722 -4.444 -0.832 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.151 -4.573 0.221 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.379 -0.637 3.337 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.729 -0.474 3.780 1.00 0.56 C ATOM 1117 C VAL A 70 -8.615 -0.019 2.672 1.00 0.55 C ATOM 1118 O VAL A 70 -8.215 0.679 1.741 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.855 0.570 4.851 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.272 0.895 5.348 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.056 0.048 6.058 1.00 0.97 C ATOM 0 H VAL A 70 -5.871 0.230 3.162 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.022 -1.454 4.156 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.495 1.498 4.406 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.220 1.664 6.119 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.876 1.257 4.516 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.727 -0.004 5.762 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.113 0.771 6.872 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.474 -0.903 6.388 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.014 -0.094 5.771 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.828 -0.598 2.618 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.723 -0.267 1.552 1.00 0.84 C ATOM 1133 C LEU A 71 -11.868 0.580 1.991 1.00 0.85 C ATOM 1134 O LEU A 71 -12.395 0.425 3.091 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.180 -1.563 0.860 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.129 -2.476 0.207 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.872 -3.474 -0.697 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.113 -1.749 -0.691 1.00 2.78 C ATOM 0 H LEU A 71 -10.183 -1.277 3.292 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.186 0.350 0.832 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.717 -2.158 1.599 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.899 -1.287 0.089 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.574 -2.934 1.026 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.152 -4.137 -1.176 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.564 -4.063 -0.096 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.427 -2.930 -1.461 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.412 -2.473 -1.107 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.639 -1.245 -1.502 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.567 -1.013 -0.101 1.00 2.78 H new