USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 160:sc= 0.619 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.887 (180deg=-0.887) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.32 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 1.08 (180deg=-0.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.821 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 25 ASN : amide:sc= 0.601 K(o=0.6,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.311 K(o=-0.31,f=-0.99) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.208 K(o=-0.21,f=-1) USER MOD Single : A 41 GLN : amide:sc= 0.344 K(o=0.34,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0505 X(o=-0.051,f=0) USER MOD Single : A 55 THR OG1 : rot -46:sc= 1.26 USER MOD Single : A 57 SER OG : rot 45:sc= 1.24 USER MOD Single : A 59 TYR OH : rot 156:sc= 0.127 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=-0.86) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.781 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.683 4.871 -4.699 1.00 9.67 N ATOM 2 CA MET A 1 -12.478 5.464 -3.359 1.00 10.38 C ATOM 3 C MET A 1 -11.038 5.794 -3.166 1.00 9.62 C ATOM 4 O MET A 1 -10.175 5.320 -3.903 1.00 9.62 O ATOM 5 CB MET A 1 -12.996 4.439 -2.336 1.00 13.77 C ATOM 6 CG MET A 1 -12.063 3.330 -1.847 1.00 16.29 C ATOM 7 SD MET A 1 -12.934 2.196 -0.723 1.00 17.17 S ATOM 8 CE MET A 1 -11.553 1.022 -0.602 1.00 16.11 C ATOM 0 H1 MET A 1 -13.595 4.371 -4.722 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.683 5.625 -5.416 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.915 4.200 -4.903 1.00 9.67 H new ATOM 0 HA MET A 1 -13.022 6.401 -3.236 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.333 4.993 -1.460 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.875 3.960 -2.768 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.674 2.775 -2.700 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.207 3.769 -1.335 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.833 0.197 0.054 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.318 0.634 -1.593 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.679 1.529 -0.194 1.00 16.11 H new ATOM 20 N GLN A 2 -10.811 6.454 -2.016 1.00 9.27 N ATOM 21 CA GLN A 2 -9.447 6.696 -1.662 1.00 9.07 C ATOM 22 C GLN A 2 -8.948 5.870 -0.526 1.00 8.72 C ATOM 23 O GLN A 2 -9.676 5.296 0.282 1.00 8.22 O ATOM 24 CB GLN A 2 -9.383 8.183 -1.274 1.00 14.46 C ATOM 25 CG GLN A 2 -9.652 9.092 -2.475 1.00 17.01 C ATOM 26 CD GLN A 2 -10.086 10.478 -2.020 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.614 10.926 -0.976 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.093 11.131 -2.660 1.00 19.49 N ATOM 0 H GLN A 2 -11.519 6.800 -1.369 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.811 6.428 -2.506 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.114 8.387 -0.492 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.401 8.409 -0.859 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.753 9.170 -3.086 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.426 8.652 -3.103 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.478 10.752 -3.525 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.463 12.000 -2.275 1.00 19.49 H new ATOM 37 N ILE A 3 -7.619 5.666 -0.558 1.00 5.87 N ATOM 38 CA ILE A 3 -6.815 5.070 0.463 1.00 5.07 C ATOM 39 C ILE A 3 -5.751 6.090 0.678 1.00 4.01 C ATOM 40 O ILE A 3 -5.261 6.775 -0.218 1.00 4.61 O ATOM 41 CB ILE A 3 -6.251 3.718 0.137 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.722 3.625 -1.304 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.410 2.773 0.497 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.039 2.288 -1.588 1.00 10.83 C ATOM 0 H ILE A 3 -7.062 5.942 -1.367 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.409 4.844 1.349 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.351 3.459 0.694 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.548 3.763 -2.001 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.016 4.436 -1.482 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.114 1.743 0.299 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.655 2.884 1.553 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.283 3.022 -0.106 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.683 2.273 -2.618 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.195 2.160 -0.911 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.751 1.477 -1.438 1.00 10.83 H new ATOM 56 N PHE A 4 -5.290 6.175 1.939 1.00 4.55 N ATOM 57 CA PHE A 4 -4.001 6.700 2.269 1.00 4.68 C ATOM 58 C PHE A 4 -2.949 5.713 2.642 1.00 5.30 C ATOM 59 O PHE A 4 -3.151 4.802 3.443 1.00 5.58 O ATOM 60 CB PHE A 4 -4.107 7.546 3.549 1.00 4.83 C ATOM 61 CG PHE A 4 -5.075 8.679 3.530 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.735 9.959 3.162 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.306 8.424 4.089 1.00 8.34 C ATOM 64 CE1 PHE A 4 -5.628 10.997 3.285 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.243 9.428 4.134 1.00 10.61 C ATOM 66 CZ PHE A 4 -6.885 10.701 3.756 1.00 8.90 C ATOM 0 H PHE A 4 -5.828 5.871 2.751 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.717 7.216 1.352 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.376 6.884 4.372 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.119 7.948 3.773 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.748 10.153 2.769 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -6.533 7.446 4.488 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -5.352 12.007 3.021 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.250 9.220 4.463 1.00 10.61 H new ATOM 0 HZ PHE A 4 -7.615 11.493 3.832 1.00 8.90 H new ATOM 76 N VAL A 5 -1.743 5.928 2.086 1.00 4.44 N ATOM 77 CA VAL A 5 -0.537 5.209 2.360 1.00 3.87 C ATOM 78 C VAL A 5 0.408 6.167 2.999 1.00 4.93 C ATOM 79 O VAL A 5 0.429 7.338 2.623 1.00 6.84 O ATOM 80 CB VAL A 5 0.050 4.627 1.108 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.389 3.916 1.371 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.949 3.706 0.389 1.00 9.13 C ATOM 0 H VAL A 5 -1.602 6.661 1.391 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.740 4.368 3.023 1.00 3.87 H new ATOM 0 HB VAL A 5 0.262 5.462 0.441 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.776 3.511 0.436 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.105 4.628 1.781 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.236 3.104 2.082 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.488 3.303 -0.513 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.229 2.886 1.050 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.839 4.275 0.119 1.00 9.13 H new ATOM 92 N LYS A 6 1.156 5.638 3.983 1.00 6.04 N ATOM 93 CA LYS A 6 1.901 6.337 4.984 1.00 6.12 C ATOM 94 C LYS A 6 3.223 5.705 5.258 1.00 6.57 C ATOM 95 O LYS A 6 3.329 4.492 5.435 1.00 5.76 O ATOM 96 CB LYS A 6 1.098 6.320 6.295 1.00 7.45 C ATOM 97 CG LYS A 6 1.719 7.046 7.490 1.00 11.12 C ATOM 98 CD LYS A 6 0.713 7.254 8.624 1.00 14.54 C ATOM 99 CE LYS A 6 1.134 7.497 10.075 1.00 18.84 C ATOM 100 NZ LYS A 6 1.760 8.814 10.331 1.00 20.55 N ATOM 0 H LYS A 6 1.246 4.627 4.086 1.00 6.04 H new ATOM 0 HA LYS A 6 2.072 7.348 4.615 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.120 6.760 6.101 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.930 5.281 6.578 1.00 7.45 H new ATOM 0 HG2 LYS A 6 2.569 6.472 7.860 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.104 8.013 7.166 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.092 8.102 8.335 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.069 6.375 8.632 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.256 7.398 10.714 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.833 6.715 10.371 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.012 8.889 11.337 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 2.618 8.909 9.752 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.090 9.571 10.084 1.00 20.55 H new ATOM 114 N THR A 7 4.323 6.478 5.274 1.00 7.41 N ATOM 115 CA THR A 7 5.657 5.991 5.449 1.00 7.48 C ATOM 116 C THR A 7 5.950 6.027 6.910 1.00 8.75 C ATOM 117 O THR A 7 5.136 6.403 7.752 1.00 8.58 O ATOM 118 CB THR A 7 6.603 6.835 4.647 1.00 9.61 C ATOM 119 OG1 THR A 7 6.600 8.195 5.054 1.00 11.78 O ATOM 120 CG2 THR A 7 6.003 6.899 3.233 1.00 9.17 C ATOM 0 H THR A 7 4.281 7.491 5.160 1.00 7.41 H new ATOM 0 HA THR A 7 5.773 4.968 5.092 1.00 7.48 H new ATOM 0 HB THR A 7 7.601 6.408 4.743 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.424 8.629 4.750 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.646 7.502 2.592 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.926 5.891 2.824 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.011 7.349 3.279 1.00 9.17 H new ATOM 128 N LEU A 8 7.181 5.676 7.322 1.00 9.84 N ATOM 129 CA LEU A 8 7.703 5.714 8.652 1.00 14.15 C ATOM 130 C LEU A 8 7.789 7.110 9.167 1.00 17.37 C ATOM 131 O LEU A 8 7.270 7.489 10.215 1.00 17.01 O ATOM 132 CB LEU A 8 9.119 5.114 8.624 1.00 16.63 C ATOM 133 CG LEU A 8 9.972 5.307 9.889 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.277 4.878 11.193 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.375 4.684 9.791 1.00 19.31 C ATOM 0 H LEU A 8 7.875 5.333 6.658 1.00 9.84 H new ATOM 0 HA LEU A 8 7.038 5.150 9.306 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.033 4.045 8.431 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.657 5.548 7.781 1.00 16.63 H new ATOM 0 HG LEU A 8 10.098 6.388 9.941 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.948 5.047 12.035 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.367 5.463 11.330 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.023 3.819 11.139 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.917 4.861 10.720 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.286 3.611 9.621 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.918 5.138 8.962 1.00 19.31 H new ATOM 147 N THR A 9 8.356 8.045 8.384 1.00 18.33 N ATOM 148 CA THR A 9 8.625 9.406 8.731 1.00 19.24 C ATOM 149 C THR A 9 7.388 10.230 8.618 1.00 19.48 C ATOM 150 O THR A 9 6.955 10.792 9.623 1.00 23.14 O ATOM 151 CB THR A 9 9.788 10.050 8.037 1.00 18.97 C ATOM 152 OG1 THR A 9 9.656 9.920 6.629 1.00 20.24 O ATOM 153 CG2 THR A 9 11.114 9.320 8.307 1.00 19.70 C ATOM 0 H THR A 9 8.650 7.830 7.431 1.00 18.33 H new ATOM 0 HA THR A 9 8.948 9.365 9.771 1.00 19.24 H new ATOM 0 HB THR A 9 9.794 11.077 8.401 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.421 10.346 6.188 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.923 9.828 7.781 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.319 9.323 9.377 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.041 8.291 7.954 1.00 19.70 H new ATOM 161 N GLY A 10 6.810 10.352 7.410 1.00 19.43 N ATOM 162 CA GLY A 10 5.571 11.064 7.352 1.00 18.74 C ATOM 163 C GLY A 10 5.266 11.659 6.020 1.00 17.62 C ATOM 164 O GLY A 10 4.791 12.791 5.952 1.00 19.74 O ATOM 0 H GLY A 10 7.169 9.986 6.528 1.00 19.43 H new ATOM 0 HA2 GLY A 10 4.763 10.386 7.628 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.588 11.860 8.097 1.00 18.74 H new ATOM 168 N LYS A 11 5.542 10.910 4.937 1.00 13.56 N ATOM 169 CA LYS A 11 5.041 11.196 3.629 1.00 11.91 C ATOM 170 C LYS A 11 3.724 10.509 3.506 1.00 10.18 C ATOM 171 O LYS A 11 3.667 9.282 3.441 1.00 9.10 O ATOM 172 CB LYS A 11 6.002 10.465 2.677 1.00 13.43 C ATOM 173 CG LYS A 11 6.057 10.788 1.182 1.00 16.69 C ATOM 174 CD LYS A 11 6.622 12.193 0.961 1.00 17.92 C ATOM 175 CE LYS A 11 6.633 12.667 -0.494 1.00 20.81 C ATOM 176 NZ LYS A 11 7.701 12.039 -1.304 1.00 21.93 N ATOM 0 H LYS A 11 6.133 10.079 4.973 1.00 13.56 H new ATOM 0 HA LYS A 11 4.955 12.264 3.429 1.00 11.91 H new ATOM 0 HB2 LYS A 11 7.008 10.614 3.069 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.781 9.401 2.762 1.00 13.43 H new ATOM 0 HG2 LYS A 11 6.678 10.054 0.667 1.00 16.69 H new ATOM 0 HG3 LYS A 11 5.058 10.719 0.751 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.039 12.899 1.552 1.00 17.92 H new ATOM 0 HD3 LYS A 11 7.642 12.222 1.344 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.666 12.449 -0.948 1.00 20.81 H new ATOM 0 HE3 LYS A 11 6.758 13.750 -0.516 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 7.418 12.030 -2.305 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 8.582 12.582 -1.198 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 7.855 11.063 -0.979 1.00 21.93 H new ATOM 190 N THR A 12 2.597 11.243 3.487 1.00 9.63 N ATOM 191 CA THR A 12 1.306 10.638 3.379 1.00 9.85 C ATOM 192 C THR A 12 0.817 10.837 1.985 1.00 11.66 C ATOM 193 O THR A 12 0.537 11.954 1.553 1.00 12.33 O ATOM 194 CB THR A 12 0.353 11.125 4.429 1.00 10.85 C ATOM 195 OG1 THR A 12 0.912 10.748 5.679 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.014 10.420 4.425 1.00 9.63 C ATOM 0 H THR A 12 2.581 12.261 3.547 1.00 9.63 H new ATOM 0 HA THR A 12 1.380 9.568 3.572 1.00 9.85 H new ATOM 0 HB THR A 12 0.210 12.191 4.249 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.324 11.047 6.404 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.639 10.834 5.216 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.499 10.573 3.461 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.873 9.353 4.595 1.00 9.63 H new ATOM 204 N ILE A 13 0.773 9.752 1.192 1.00 10.42 N ATOM 205 CA ILE A 13 0.241 9.738 -0.135 1.00 11.84 C ATOM 206 C ILE A 13 -1.166 9.248 -0.123 1.00 10.55 C ATOM 207 O ILE A 13 -1.410 8.304 0.626 1.00 11.92 O ATOM 208 CB ILE A 13 1.111 9.098 -1.176 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.322 7.582 -1.022 1.00 14.87 C ATOM 210 CG2 ILE A 13 2.414 9.909 -1.073 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.078 6.954 -2.192 1.00 16.46 C ATOM 0 H ILE A 13 1.125 8.842 1.490 1.00 10.42 H new ATOM 0 HA ILE A 13 0.230 10.775 -0.472 1.00 11.84 H new ATOM 0 HB ILE A 13 0.648 9.134 -2.162 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.870 7.391 -0.100 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.352 7.096 -0.923 1.00 14.87 H new ATOM 0 HG21 ILE A 13 3.137 9.529 -1.795 1.00 17.08 H new ATOM 0 HG22 ILE A 13 2.207 10.958 -1.284 1.00 17.08 H new ATOM 0 HG23 ILE A 13 2.823 9.815 -0.067 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.192 5.884 -2.019 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.520 7.115 -3.114 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.062 7.415 -2.278 1.00 16.46 H new ATOM 223 N THR A 14 -2.138 9.874 -0.811 1.00 9.39 N ATOM 224 CA THR A 14 -3.526 9.545 -0.908 1.00 9.63 C ATOM 225 C THR A 14 -3.779 9.046 -2.289 1.00 11.20 C ATOM 226 O THR A 14 -3.499 9.758 -3.252 1.00 11.63 O ATOM 227 CB THR A 14 -4.580 10.603 -0.767 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.283 11.525 0.272 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.918 9.948 -0.385 1.00 11.66 C ATOM 0 H THR A 14 -1.922 10.705 -1.361 1.00 9.39 H new ATOM 0 HA THR A 14 -3.636 8.875 -0.055 1.00 9.63 H new ATOM 0 HB THR A 14 -4.625 11.124 -1.724 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.545 11.141 1.135 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.684 10.717 -0.283 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.213 9.243 -1.162 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.807 9.419 0.561 1.00 11.66 H new ATOM 237 N LEU A 15 -4.103 7.763 -2.530 1.00 8.29 N ATOM 238 CA LEU A 15 -4.282 7.193 -3.830 1.00 9.03 C ATOM 239 C LEU A 15 -5.727 6.952 -4.101 1.00 8.59 C ATOM 240 O LEU A 15 -6.562 6.982 -3.199 1.00 7.79 O ATOM 241 CB LEU A 15 -3.468 5.923 -4.131 1.00 11.08 C ATOM 242 CG LEU A 15 -1.937 6.022 -4.236 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.425 7.355 -4.807 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.286 5.582 -2.914 1.00 15.88 C ATOM 0 H LEU A 15 -4.248 7.088 -1.779 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.879 7.945 -4.508 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.697 5.194 -3.354 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.836 5.512 -5.071 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.609 5.315 -4.998 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.336 7.340 -4.846 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.822 7.497 -5.812 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.753 8.175 -4.168 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.202 5.656 -3.000 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.631 6.227 -2.106 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.563 4.550 -2.698 1.00 15.88 H new ATOM 256 N GLU A 16 -6.150 6.809 -5.370 1.00 11.04 N ATOM 257 CA GLU A 16 -7.521 6.493 -5.626 1.00 11.50 C ATOM 258 C GLU A 16 -7.606 5.147 -6.261 1.00 10.13 C ATOM 259 O GLU A 16 -6.918 4.813 -7.224 1.00 9.83 O ATOM 260 CB GLU A 16 -8.142 7.567 -6.534 1.00 17.22 C ATOM 261 CG GLU A 16 -9.650 7.395 -6.722 1.00 23.33 C ATOM 262 CD GLU A 16 -10.275 8.479 -7.589 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.807 8.738 -8.730 1.00 28.90 O ATOM 264 OE2 GLU A 16 -11.251 9.124 -7.120 1.00 28.86 O ATOM 0 H GLU A 16 -5.562 6.909 -6.198 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.078 6.474 -4.689 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.945 8.551 -6.110 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.655 7.537 -7.508 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.845 6.422 -7.172 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -10.134 7.397 -5.745 1.00 23.33 H new ATOM 271 N VAL A 17 -8.506 4.286 -5.754 1.00 8.99 N ATOM 272 CA VAL A 17 -8.610 2.885 -6.020 1.00 8.85 C ATOM 273 C VAL A 17 -10.006 2.376 -6.128 1.00 8.04 C ATOM 274 O VAL A 17 -10.966 3.081 -5.818 1.00 8.99 O ATOM 275 CB VAL A 17 -7.766 2.073 -5.083 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.294 2.412 -5.374 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.195 2.231 -3.615 1.00 10.54 C ATOM 0 H VAL A 17 -9.223 4.600 -5.100 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.201 2.754 -7.022 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.908 1.006 -5.257 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.650 1.837 -4.708 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.061 2.162 -6.409 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.127 3.477 -5.211 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.551 1.622 -2.980 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.109 3.277 -3.321 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.229 1.906 -3.501 1.00 10.54 H new ATOM 287 N GLU A 18 -10.231 1.147 -6.625 1.00 7.29 N ATOM 288 CA GLU A 18 -11.388 0.353 -6.346 1.00 7.08 C ATOM 289 C GLU A 18 -11.274 -0.563 -5.177 1.00 6.45 C ATOM 290 O GLU A 18 -10.245 -1.234 -5.116 1.00 5.28 O ATOM 291 CB GLU A 18 -11.751 -0.518 -7.560 1.00 10.28 C ATOM 292 CG GLU A 18 -12.541 0.340 -8.551 1.00 12.65 C ATOM 293 CD GLU A 18 -13.886 0.571 -7.878 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.764 -0.332 -7.851 1.00 14.33 O ATOM 295 OE2 GLU A 18 -14.123 1.717 -7.410 1.00 18.17 O ATOM 0 H GLU A 18 -9.574 0.684 -7.253 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.154 1.092 -6.110 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.848 -0.907 -8.031 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.343 -1.378 -7.246 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.032 1.283 -8.752 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.659 -0.168 -9.508 1.00 12.65 H new ATOM 302 N PRO A 19 -12.254 -0.762 -4.346 1.00 7.24 N ATOM 303 CA PRO A 19 -12.130 -1.736 -3.301 1.00 7.07 C ATOM 304 C PRO A 19 -12.087 -3.168 -3.711 1.00 6.65 C ATOM 305 O PRO A 19 -11.741 -3.989 -2.862 1.00 6.37 O ATOM 306 CB PRO A 19 -13.336 -1.474 -2.402 1.00 7.61 C ATOM 307 CG PRO A 19 -14.387 -0.916 -3.374 1.00 8.16 C ATOM 308 CD PRO A 19 -13.558 -0.118 -4.392 1.00 7.49 C ATOM 0 HA PRO A 19 -11.158 -1.610 -2.825 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.682 -2.387 -1.916 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.101 -0.762 -1.611 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.951 -1.715 -3.856 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.109 -0.281 -2.861 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.994 -0.165 -5.390 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.495 0.936 -4.121 1.00 7.49 H new ATOM 316 N SER A 20 -12.381 -3.510 -4.978 1.00 6.80 N ATOM 317 CA SER A 20 -12.134 -4.779 -5.589 1.00 6.28 C ATOM 318 C SER A 20 -10.738 -5.129 -5.974 1.00 8.45 C ATOM 319 O SER A 20 -10.468 -6.273 -6.337 1.00 7.26 O ATOM 320 CB SER A 20 -13.205 -5.094 -6.647 1.00 8.57 C ATOM 321 OG SER A 20 -13.174 -4.285 -7.814 1.00 11.13 O ATOM 0 H SER A 20 -12.823 -2.852 -5.620 1.00 6.80 H new ATOM 0 HA SER A 20 -12.242 -5.488 -4.768 1.00 6.28 H new ATOM 0 HB2 SER A 20 -13.098 -6.136 -6.947 1.00 8.57 H new ATOM 0 HB3 SER A 20 -14.187 -4.995 -6.184 1.00 8.57 H new ATOM 0 HG SER A 20 -13.889 -4.563 -8.424 1.00 11.13 H new ATOM 327 N ASP A 21 -9.883 -4.091 -5.987 1.00 7.50 N ATOM 328 CA ASP A 21 -8.624 -4.239 -6.650 1.00 7.70 C ATOM 329 C ASP A 21 -7.574 -4.938 -5.856 1.00 7.08 C ATOM 330 O ASP A 21 -7.713 -5.094 -4.644 1.00 8.11 O ATOM 331 CB ASP A 21 -8.166 -2.862 -7.157 1.00 11.00 C ATOM 332 CG ASP A 21 -7.287 -2.835 -8.400 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.190 -3.911 -9.048 1.00 14.36 O ATOM 334 OD2 ASP A 21 -6.799 -1.745 -8.800 1.00 18.03 O ATOM 0 H ASP A 21 -10.052 -3.182 -5.556 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.779 -4.911 -7.494 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -9.055 -2.264 -7.359 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.625 -2.368 -6.350 1.00 11.00 H new ATOM 339 N THR A 22 -6.456 -5.386 -6.455 1.00 5.37 N ATOM 340 CA THR A 22 -5.534 -6.201 -5.726 1.00 6.01 C ATOM 341 C THR A 22 -4.528 -5.391 -4.983 1.00 8.01 C ATOM 342 O THR A 22 -4.315 -4.191 -5.152 1.00 8.11 O ATOM 343 CB THR A 22 -4.859 -7.246 -6.564 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.255 -6.547 -7.642 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.924 -8.190 -7.148 1.00 9.65 C ATOM 0 H THR A 22 -6.194 -5.190 -7.421 1.00 5.37 H new ATOM 0 HA THR A 22 -6.147 -6.733 -4.999 1.00 6.01 H new ATOM 0 HB THR A 22 -4.140 -7.823 -5.982 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.794 -7.184 -8.227 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.439 -8.952 -7.758 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.470 -8.669 -6.336 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.618 -7.619 -7.764 1.00 9.65 H new ATOM 353 N ILE A 23 -3.936 -5.988 -3.933 1.00 8.32 N ATOM 354 CA ILE A 23 -2.978 -5.353 -3.081 1.00 9.92 C ATOM 355 C ILE A 23 -1.694 -5.098 -3.791 1.00 10.01 C ATOM 356 O ILE A 23 -1.134 -4.014 -3.631 1.00 8.71 O ATOM 357 CB ILE A 23 -2.749 -6.209 -1.871 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.976 -6.230 -0.943 1.00 11.38 C ATOM 359 CG2 ILE A 23 -1.468 -5.928 -1.067 1.00 10.90 C ATOM 360 CD1 ILE A 23 -4.533 -4.860 -0.558 1.00 12.30 C ATOM 0 H ILE A 23 -4.133 -6.953 -3.667 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.375 -4.385 -2.776 1.00 9.92 H new ATOM 0 HB ILE A 23 -2.592 -7.199 -2.298 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -4.767 -6.801 -1.429 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -3.711 -6.764 -0.031 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -1.415 -6.609 -0.218 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.598 -6.076 -1.706 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.483 -4.899 -0.706 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -5.395 -4.989 0.097 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.765 -4.288 -0.038 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.837 -4.325 -1.458 1.00 12.30 H new ATOM 372 N GLU A 24 -1.348 -5.924 -4.794 1.00 9.54 N ATOM 373 CA GLU A 24 -0.518 -5.621 -5.918 1.00 11.81 C ATOM 374 C GLU A 24 -0.854 -4.364 -6.644 1.00 11.14 C ATOM 375 O GLU A 24 -0.018 -3.509 -6.931 1.00 10.62 O ATOM 376 CB GLU A 24 -0.555 -6.771 -6.939 1.00 19.24 C ATOM 377 CG GLU A 24 0.592 -6.695 -7.949 1.00 27.76 C ATOM 378 CD GLU A 24 0.916 -8.113 -8.398 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.128 -8.720 -9.171 1.00 34.80 O ATOM 380 OE2 GLU A 24 2.006 -8.658 -8.077 1.00 36.51 O ATOM 0 H GLU A 24 -1.679 -6.888 -4.819 1.00 9.54 H new ATOM 0 HA GLU A 24 0.472 -5.483 -5.483 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.507 -7.723 -6.411 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.506 -6.749 -7.472 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.308 -6.080 -8.803 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.468 -6.229 -7.497 1.00 27.76 H new ATOM 387 N ASN A 25 -2.118 -4.095 -7.017 1.00 9.43 N ATOM 388 CA ASN A 25 -2.504 -2.858 -7.622 1.00 10.96 C ATOM 389 C ASN A 25 -2.620 -1.631 -6.784 1.00 9.68 C ATOM 390 O ASN A 25 -2.892 -0.558 -7.320 1.00 9.33 O ATOM 391 CB ASN A 25 -3.863 -3.077 -8.308 1.00 16.78 C ATOM 392 CG ASN A 25 -3.562 -3.824 -9.599 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.439 -4.202 -9.927 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.650 -4.002 -10.396 1.00 24.70 N ATOM 0 H ASN A 25 -2.889 -4.752 -6.895 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.663 -2.634 -8.278 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.534 -3.653 -7.671 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.355 -2.126 -8.512 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.550 -4.463 -11.300 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.566 -3.675 -10.089 1.00 24.70 H new ATOM 401 N VAL A 26 -2.324 -1.713 -5.474 1.00 6.52 N ATOM 402 CA VAL A 26 -2.007 -0.579 -4.663 1.00 5.53 C ATOM 403 C VAL A 26 -0.560 -0.319 -4.904 1.00 4.42 C ATOM 404 O VAL A 26 -0.071 0.809 -4.882 1.00 3.40 O ATOM 405 CB VAL A 26 -2.279 -0.788 -3.203 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.796 0.374 -2.319 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.794 -0.937 -2.986 1.00 8.12 C ATOM 0 H VAL A 26 -2.305 -2.596 -4.964 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.640 0.265 -4.935 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.729 -1.684 -2.914 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.025 0.157 -1.276 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.719 0.497 -2.437 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.301 1.293 -2.617 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.996 -1.089 -1.926 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.301 -0.034 -3.326 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.160 -1.794 -3.552 1.00 8.12 H new ATOM 417 N LYS A 27 0.306 -1.342 -5.019 1.00 2.64 N ATOM 418 CA LYS A 27 1.709 -1.164 -5.232 1.00 4.14 C ATOM 419 C LYS A 27 2.038 -0.513 -6.531 1.00 5.58 C ATOM 420 O LYS A 27 3.028 0.207 -6.649 1.00 4.11 O ATOM 421 CB LYS A 27 2.496 -2.485 -5.206 1.00 3.97 C ATOM 422 CG LYS A 27 2.202 -3.295 -3.941 1.00 7.45 C ATOM 423 CD LYS A 27 3.203 -4.437 -3.759 1.00 9.02 C ATOM 424 CE LYS A 27 3.464 -4.885 -2.319 1.00 12.90 C ATOM 425 NZ LYS A 27 4.293 -6.111 -2.336 1.00 15.47 N ATOM 0 H LYS A 27 0.023 -2.320 -4.962 1.00 2.64 H new ATOM 0 HA LYS A 27 2.001 -0.521 -4.402 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.241 -3.078 -6.085 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.564 -2.274 -5.263 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.236 -2.638 -3.072 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.192 -3.701 -3.995 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.848 -5.297 -4.326 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.152 -4.134 -4.201 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.972 -4.095 -1.766 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.520 -5.076 -1.808 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.629 -6.316 -1.373 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.724 -6.910 -2.681 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.109 -5.970 -2.965 1.00 15.47 H new ATOM 439 N ALA A 28 1.189 -0.610 -7.570 1.00 6.61 N ATOM 440 CA ALA A 28 1.319 0.129 -8.787 1.00 7.74 C ATOM 441 C ALA A 28 1.161 1.604 -8.646 1.00 9.17 C ATOM 442 O ALA A 28 1.933 2.408 -9.166 1.00 11.45 O ATOM 443 CB ALA A 28 0.355 -0.385 -9.870 1.00 7.68 C ATOM 0 H ALA A 28 0.378 -1.229 -7.561 1.00 6.61 H new ATOM 0 HA ALA A 28 2.351 -0.045 -9.090 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.484 0.202 -10.780 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.569 -1.433 -10.080 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.672 -0.288 -9.518 1.00 7.68 H new ATOM 449 N LYS A 29 0.174 2.094 -7.875 1.00 8.96 N ATOM 450 CA LYS A 29 -0.132 3.478 -7.690 1.00 7.90 C ATOM 451 C LYS A 29 0.886 4.157 -6.839 1.00 6.92 C ATOM 452 O LYS A 29 1.142 5.344 -7.032 1.00 6.87 O ATOM 453 CB LYS A 29 -1.543 3.769 -7.152 1.00 10.28 C ATOM 454 CG LYS A 29 -2.589 3.265 -8.148 1.00 14.94 C ATOM 455 CD LYS A 29 -2.854 4.213 -9.320 1.00 19.69 C ATOM 456 CE LYS A 29 -4.006 3.861 -10.262 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.411 4.927 -11.205 1.00 24.98 N ATOM 0 H LYS A 29 -0.450 1.483 -7.347 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.106 3.890 -8.699 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.682 3.282 -6.187 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.667 4.840 -6.990 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.264 2.302 -8.542 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.525 3.093 -7.617 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.043 5.207 -8.914 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -1.942 4.279 -9.913 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.724 2.980 -10.838 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.872 3.585 -9.660 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.196 4.588 -11.796 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.717 5.765 -10.671 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.605 5.178 -11.812 1.00 24.98 H new ATOM 471 N ILE A 30 1.530 3.384 -5.947 1.00 4.57 N ATOM 472 CA ILE A 30 2.671 3.803 -5.193 1.00 5.58 C ATOM 473 C ILE A 30 3.893 4.079 -5.999 1.00 7.26 C ATOM 474 O ILE A 30 4.500 5.147 -5.943 1.00 9.46 O ATOM 475 CB ILE A 30 2.978 2.857 -4.070 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.819 2.981 -3.066 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.266 3.175 -3.291 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.770 1.812 -2.083 1.00 2.00 C ATOM 0 H ILE A 30 1.244 2.427 -5.742 1.00 4.57 H new ATOM 0 HA ILE A 30 2.375 4.766 -4.776 1.00 5.58 H new ATOM 0 HB ILE A 30 3.108 1.869 -4.512 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.921 3.914 -2.512 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.876 3.035 -3.609 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.404 2.438 -2.500 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.119 3.143 -3.969 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.189 4.169 -2.851 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.934 1.949 -1.397 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.640 0.880 -2.633 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.701 1.773 -1.518 1.00 2.00 H new ATOM 490 N GLN A 31 4.161 3.167 -6.951 1.00 7.06 N ATOM 491 CA GLN A 31 5.127 3.372 -7.985 1.00 8.67 C ATOM 492 C GLN A 31 4.852 4.535 -8.875 1.00 10.90 C ATOM 493 O GLN A 31 5.798 5.265 -9.165 1.00 9.63 O ATOM 494 CB GLN A 31 5.292 2.016 -8.691 1.00 9.12 C ATOM 495 CG GLN A 31 6.238 1.967 -9.893 1.00 10.76 C ATOM 496 CD GLN A 31 6.296 0.560 -10.470 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.255 -0.201 -10.352 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.208 0.174 -11.190 1.00 14.76 N ATOM 0 H GLN A 31 3.693 2.262 -7.003 1.00 7.06 H new ATOM 0 HA GLN A 31 6.082 3.683 -7.562 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.642 1.292 -7.955 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.308 1.685 -9.021 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.900 2.666 -10.658 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.236 2.284 -9.591 1.00 10.76 H new ATOM 0 HE21 GLN A 31 4.412 0.804 -11.289 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.188 -0.745 -11.631 1.00 14.76 H new ATOM 507 N ASP A 32 3.632 4.788 -9.383 1.00 10.93 N ATOM 508 CA ASP A 32 3.375 5.920 -10.218 1.00 14.01 C ATOM 509 C ASP A 32 3.549 7.201 -9.478 1.00 14.04 C ATOM 510 O ASP A 32 4.123 8.177 -9.960 1.00 13.39 O ATOM 511 CB ASP A 32 1.910 5.701 -10.633 1.00 18.01 C ATOM 512 CG ASP A 32 1.464 6.773 -11.617 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.367 7.479 -12.139 1.00 25.17 O ATOM 514 OD2 ASP A 32 0.256 7.081 -11.805 1.00 26.29 O ATOM 0 H ASP A 32 2.815 4.201 -9.213 1.00 10.93 H new ATOM 0 HA ASP A 32 4.059 5.997 -11.063 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.798 4.716 -11.086 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.270 5.721 -9.751 1.00 18.01 H new ATOM 519 N LYS A 33 3.030 7.277 -8.240 1.00 14.22 N ATOM 520 CA LYS A 33 3.109 8.454 -7.431 1.00 14.00 C ATOM 521 C LYS A 33 4.427 8.752 -6.803 1.00 12.37 C ATOM 522 O LYS A 33 5.084 9.750 -7.095 1.00 12.17 O ATOM 523 CB LYS A 33 1.959 8.399 -6.411 1.00 18.62 C ATOM 524 CG LYS A 33 2.009 9.461 -5.311 1.00 24.00 C ATOM 525 CD LYS A 33 1.496 10.801 -5.841 1.00 27.61 C ATOM 526 CE LYS A 33 1.769 12.036 -4.979 1.00 27.64 C ATOM 527 NZ LYS A 33 1.422 13.259 -5.736 1.00 30.06 N ATOM 0 H LYS A 33 2.543 6.502 -7.790 1.00 14.22 H new ATOM 0 HA LYS A 33 3.003 9.306 -8.102 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.015 8.499 -6.947 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.957 7.415 -5.943 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.404 9.143 -4.462 1.00 24.00 H new ATOM 0 HG3 LYS A 33 3.032 9.573 -4.950 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.937 10.969 -6.824 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.419 10.719 -5.985 1.00 27.61 H new ATOM 0 HE2 LYS A 33 1.184 11.987 -4.061 1.00 27.64 H new ATOM 0 HE3 LYS A 33 2.819 12.063 -4.687 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.609 14.096 -5.148 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.999 13.308 -6.600 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.415 13.234 -5.993 1.00 30.06 H new ATOM 541 N GLU A 34 4.889 7.923 -5.850 1.00 10.11 N ATOM 542 CA GLU A 34 6.130 8.068 -5.155 1.00 10.07 C ATOM 543 C GLU A 34 7.324 7.539 -5.872 1.00 9.32 C ATOM 544 O GLU A 34 8.342 8.222 -5.972 1.00 11.61 O ATOM 545 CB GLU A 34 5.958 7.340 -3.811 1.00 14.77 C ATOM 546 CG GLU A 34 7.001 7.629 -2.729 1.00 18.75 C ATOM 547 CD GLU A 34 7.266 9.086 -2.377 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.786 10.002 -3.097 1.00 25.19 O ATOM 549 OE2 GLU A 34 8.131 9.371 -1.506 1.00 21.95 O ATOM 0 H GLU A 34 4.364 7.103 -5.547 1.00 10.11 H new ATOM 0 HA GLU A 34 6.334 9.133 -5.048 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.976 7.593 -3.412 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.957 6.267 -4.004 1.00 14.77 H new ATOM 0 HG2 GLU A 34 6.693 7.114 -1.819 1.00 18.75 H new ATOM 0 HG3 GLU A 34 7.944 7.182 -3.044 1.00 18.75 H new ATOM 556 N GLY A 35 7.155 6.346 -6.470 1.00 7.22 N ATOM 557 CA GLY A 35 8.191 5.726 -7.235 1.00 6.29 C ATOM 558 C GLY A 35 9.148 4.843 -6.510 1.00 6.93 C ATOM 559 O GLY A 35 10.372 4.941 -6.573 1.00 7.41 O ATOM 0 H GLY A 35 6.291 5.806 -6.422 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.721 5.137 -8.023 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.764 6.513 -7.725 1.00 6.29 H new ATOM 563 N ILE A 36 8.559 3.890 -5.765 1.00 5.86 N ATOM 564 CA ILE A 36 9.174 2.907 -4.928 1.00 6.07 C ATOM 565 C ILE A 36 8.876 1.643 -5.658 1.00 6.36 C ATOM 566 O ILE A 36 7.690 1.416 -5.892 1.00 6.18 O ATOM 567 CB ILE A 36 8.439 2.810 -3.624 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.560 4.154 -2.886 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.039 1.618 -2.861 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.431 4.284 -1.864 1.00 9.49 C ATOM 0 H ILE A 36 7.543 3.802 -5.750 1.00 5.86 H new ATOM 0 HA ILE A 36 10.226 3.119 -4.735 1.00 6.07 H new ATOM 0 HB ILE A 36 7.371 2.628 -3.743 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.526 4.219 -2.385 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.514 4.977 -3.599 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.533 1.508 -1.902 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.908 0.708 -3.447 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.102 1.791 -2.693 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.520 5.237 -1.343 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.470 4.238 -2.376 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.497 3.469 -1.143 1.00 9.49 H new ATOM 582 N PRO A 37 9.718 0.735 -6.054 1.00 8.65 N ATOM 583 CA PRO A 37 9.326 -0.376 -6.871 1.00 9.18 C ATOM 584 C PRO A 37 8.692 -1.478 -6.094 1.00 9.85 C ATOM 585 O PRO A 37 8.842 -1.407 -4.875 1.00 8.51 O ATOM 586 CB PRO A 37 10.645 -0.796 -7.517 1.00 11.42 C ATOM 587 CG PRO A 37 11.667 -0.499 -6.409 1.00 9.27 C ATOM 588 CD PRO A 37 11.161 0.871 -5.930 1.00 8.33 C ATOM 0 HA PRO A 37 8.555 -0.116 -7.596 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.643 -1.850 -7.795 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.852 -0.227 -8.423 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.651 -1.248 -5.617 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.689 -0.456 -6.787 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.462 1.078 -4.903 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.546 1.684 -6.546 1.00 8.33 H new ATOM 596 N PRO A 38 7.933 -2.435 -6.538 1.00 8.71 N ATOM 597 CA PRO A 38 6.876 -3.028 -5.772 1.00 9.08 C ATOM 598 C PRO A 38 7.417 -3.976 -4.758 1.00 9.28 C ATOM 599 O PRO A 38 6.728 -4.473 -3.869 1.00 6.50 O ATOM 600 CB PRO A 38 6.149 -3.906 -6.788 1.00 10.31 C ATOM 601 CG PRO A 38 6.172 -3.059 -8.071 1.00 10.81 C ATOM 602 CD PRO A 38 7.606 -2.519 -7.954 1.00 12.00 C ATOM 0 HA PRO A 38 6.278 -2.264 -5.275 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.655 -4.861 -6.928 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.130 -4.128 -6.471 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.014 -3.651 -8.973 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.420 -2.270 -8.072 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.306 -3.177 -8.470 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.685 -1.539 -8.424 1.00 12.00 H new ATOM 610 N ASP A 39 8.677 -4.425 -4.899 1.00 11.20 N ATOM 611 CA ASP A 39 9.323 -5.451 -4.141 1.00 14.96 C ATOM 612 C ASP A 39 9.763 -4.928 -2.817 1.00 13.99 C ATOM 613 O ASP A 39 10.086 -5.695 -1.911 1.00 13.75 O ATOM 614 CB ASP A 39 10.511 -6.101 -4.870 1.00 24.16 C ATOM 615 CG ASP A 39 11.464 -5.081 -5.475 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.209 -4.443 -6.531 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.518 -4.878 -4.814 1.00 35.55 O ATOM 0 H ASP A 39 9.297 -4.033 -5.608 1.00 11.20 H new ATOM 0 HA ASP A 39 8.577 -6.233 -4.001 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.059 -6.732 -4.170 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.135 -6.752 -5.659 1.00 24.16 H new ATOM 622 N GLN A 40 9.966 -3.601 -2.741 1.00 11.60 N ATOM 623 CA GLN A 40 10.503 -2.860 -1.642 1.00 10.76 C ATOM 624 C GLN A 40 9.417 -2.419 -0.721 1.00 8.01 C ATOM 625 O GLN A 40 9.733 -1.964 0.377 1.00 8.96 O ATOM 626 CB GLN A 40 11.112 -1.552 -2.173 1.00 11.14 C ATOM 627 CG GLN A 40 11.957 -0.750 -1.180 1.00 14.85 C ATOM 628 CD GLN A 40 12.806 0.252 -1.949 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.379 1.405 -1.970 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.917 -0.104 -2.648 1.00 18.16 N ATOM 0 H GLN A 40 9.731 -2.991 -3.524 1.00 11.60 H new ATOM 0 HA GLN A 40 11.225 -3.501 -1.136 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.732 -1.789 -3.038 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.301 -0.915 -2.526 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.313 -0.231 -0.470 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.595 -1.419 -0.602 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.253 -1.066 -2.616 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.414 0.592 -3.204 1.00 18.16 H new ATOM 639 N GLN A 41 8.149 -2.742 -1.030 1.00 6.52 N ATOM 640 CA GLN A 41 6.965 -2.382 -0.313 1.00 3.87 C ATOM 641 C GLN A 41 6.402 -3.434 0.579 1.00 4.79 C ATOM 642 O GLN A 41 6.049 -4.540 0.172 1.00 6.34 O ATOM 643 CB GLN A 41 5.828 -1.919 -1.240 1.00 4.20 C ATOM 644 CG GLN A 41 6.197 -0.709 -2.101 1.00 3.20 C ATOM 645 CD GLN A 41 5.178 -0.197 -3.108 1.00 4.89 C ATOM 646 OE1 GLN A 41 3.982 -0.383 -2.888 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.615 0.373 -4.263 1.00 7.13 N ATOM 0 H GLN A 41 7.935 -3.304 -1.854 1.00 6.52 H new ATOM 0 HA GLN A 41 7.324 -1.566 0.314 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.542 -2.745 -1.891 1.00 4.20 H new ATOM 0 HB3 GLN A 41 4.955 -1.672 -0.636 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.441 0.114 -1.429 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.108 -0.956 -2.647 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.614 0.514 -4.416 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.944 0.659 -4.976 1.00 7.13 H new ATOM 656 N ARG A 42 6.100 -3.155 1.859 1.00 5.73 N ATOM 657 CA ARG A 42 5.324 -4.018 2.696 1.00 6.97 C ATOM 658 C ARG A 42 4.240 -3.254 3.375 1.00 7.15 C ATOM 659 O ARG A 42 4.566 -2.366 4.161 1.00 7.33 O ATOM 660 CB ARG A 42 6.189 -4.766 3.724 1.00 13.23 C ATOM 661 CG ARG A 42 5.343 -5.814 4.450 1.00 21.27 C ATOM 662 CD ARG A 42 5.229 -7.236 3.896 1.00 26.14 C ATOM 663 NE ARG A 42 6.591 -7.804 3.691 1.00 32.26 N ATOM 664 CZ ARG A 42 6.761 -8.942 2.958 1.00 34.32 C ATOM 665 NH1 ARG A 42 5.709 -9.509 2.299 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.004 -9.499 2.868 1.00 36.39 N ATOM 0 H ARG A 42 6.405 -2.302 2.327 1.00 5.73 H new ATOM 0 HA ARG A 42 4.872 -4.771 2.051 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.030 -5.247 3.224 1.00 13.23 H new ATOM 0 HB3 ARG A 42 6.607 -4.061 4.443 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.731 -5.894 5.466 1.00 21.27 H new ATOM 0 HG3 ARG A 42 4.331 -5.415 4.526 1.00 21.27 H new ATOM 0 HD2 ARG A 42 4.663 -7.862 4.586 1.00 26.14 H new ATOM 0 HD3 ARG A 42 4.682 -7.227 2.953 1.00 26.14 H new ATOM 0 HE ARG A 42 7.401 -7.339 4.101 1.00 32.26 H new ATOM 0 HH11 ARG A 42 4.784 -9.082 2.352 1.00 35.30 H new ATOM 0 HH12 ARG A 42 5.848 -10.360 1.754 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.793 -9.064 3.346 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.143 -10.350 2.323 1.00 36.39 H new ATOM 680 N LEU A 43 2.949 -3.506 3.097 1.00 4.65 N ATOM 681 CA LEU A 43 1.855 -2.747 3.620 1.00 3.51 C ATOM 682 C LEU A 43 1.114 -3.415 4.726 1.00 5.56 C ATOM 683 O LEU A 43 0.779 -4.583 4.537 1.00 4.19 O ATOM 684 CB LEU A 43 0.948 -2.487 2.405 1.00 3.74 C ATOM 685 CG LEU A 43 1.471 -1.380 1.475 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.017 -1.466 0.007 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.382 0.036 2.068 1.00 9.55 C ATOM 0 H LEU A 43 2.655 -4.267 2.485 1.00 4.65 H new ATOM 0 HA LEU A 43 2.219 -1.832 4.087 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.844 -3.410 1.835 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.047 -2.215 2.756 1.00 3.74 H new ATOM 0 HG LEU A 43 2.536 -1.603 1.419 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.445 -0.636 -0.555 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.355 -2.409 -0.424 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.071 -1.414 -0.041 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.771 0.757 1.349 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.342 0.272 2.292 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.970 0.084 2.984 1.00 9.55 H new ATOM 699 N ILE A 44 0.759 -2.645 5.771 1.00 4.58 N ATOM 700 CA ILE A 44 0.335 -3.166 7.033 1.00 5.55 C ATOM 701 C ILE A 44 -0.978 -2.483 7.198 1.00 5.46 C ATOM 702 O ILE A 44 -0.964 -1.258 7.089 1.00 6.04 O ATOM 703 CB ILE A 44 1.169 -2.927 8.257 1.00 6.80 C ATOM 704 CG1 ILE A 44 2.683 -2.981 7.992 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.715 -3.936 9.325 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.589 -2.611 9.166 1.00 13.90 C ATOM 0 H ILE A 44 0.768 -1.626 5.736 1.00 4.58 H new ATOM 0 HA ILE A 44 0.367 -4.254 6.984 1.00 5.55 H new ATOM 0 HB ILE A 44 1.009 -1.908 8.609 1.00 6.80 H new ATOM 0 HG12 ILE A 44 2.938 -3.990 7.668 1.00 10.31 H new ATOM 0 HG13 ILE A 44 2.909 -2.313 7.161 1.00 10.31 H new ATOM 0 HG21 ILE A 44 1.301 -3.793 10.233 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.341 -3.781 9.546 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.863 -4.950 8.954 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.632 -2.686 8.858 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.376 -1.590 9.482 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.406 -3.293 9.996 1.00 13.90 H new ATOM 718 N PHE A 45 -2.073 -3.159 7.590 1.00 6.75 N ATOM 719 CA PHE A 45 -3.335 -2.568 7.912 1.00 4.70 C ATOM 720 C PHE A 45 -3.485 -2.953 9.343 1.00 6.34 C ATOM 721 O PHE A 45 -3.889 -4.062 9.691 1.00 5.45 O ATOM 722 CB PHE A 45 -4.592 -3.089 7.195 1.00 5.51 C ATOM 723 CG PHE A 45 -5.922 -2.505 7.527 1.00 5.98 C ATOM 724 CD1 PHE A 45 -6.128 -1.174 7.804 1.00 6.86 C ATOM 725 CD2 PHE A 45 -7.002 -3.353 7.452 1.00 5.87 C ATOM 726 CE1 PHE A 45 -7.434 -0.758 7.907 1.00 6.68 C ATOM 727 CE2 PHE A 45 -8.295 -2.943 7.673 1.00 6.64 C ATOM 728 CZ PHE A 45 -8.489 -1.630 8.032 1.00 6.84 C ATOM 0 H PHE A 45 -2.077 -4.174 7.687 1.00 6.75 H new ATOM 0 HA PHE A 45 -3.298 -1.515 7.631 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -4.436 -2.957 6.124 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -4.651 -4.162 7.378 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -5.304 -0.489 7.934 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -6.826 -4.390 7.208 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -7.640 0.302 7.889 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -9.126 -3.625 7.569 1.00 6.64 H new ATOM 0 HZ PHE A 45 -9.446 -1.293 8.403 1.00 6.84 H new ATOM 738 N ALA A 46 -3.081 -1.985 10.185 1.00 6.53 N ATOM 739 CA ALA A 46 -2.930 -2.138 11.599 1.00 7.15 C ATOM 740 C ALA A 46 -2.015 -3.252 11.976 1.00 9.00 C ATOM 741 O ALA A 46 -0.823 -3.006 12.147 1.00 11.15 O ATOM 742 CB ALA A 46 -4.347 -2.129 12.199 1.00 8.99 C ATOM 0 H ALA A 46 -2.847 -1.046 9.862 1.00 6.53 H new ATOM 0 HA ALA A 46 -2.390 -1.307 12.052 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.285 -2.243 13.281 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -4.837 -1.185 11.962 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.925 -2.953 11.780 1.00 8.99 H new ATOM 748 N GLY A 47 -2.518 -4.471 12.240 1.00 9.35 N ATOM 749 CA GLY A 47 -1.679 -5.602 12.491 1.00 11.68 C ATOM 750 C GLY A 47 -1.348 -6.459 11.317 1.00 11.14 C ATOM 751 O GLY A 47 -0.515 -7.346 11.495 1.00 13.93 O ATOM 0 H GLY A 47 -3.517 -4.675 12.280 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.746 -5.244 12.926 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -2.163 -6.226 13.243 1.00 11.68 H new ATOM 755 N LYS A 48 -2.126 -6.303 10.231 1.00 10.47 N ATOM 756 CA LYS A 48 -2.250 -7.325 9.239 1.00 8.82 C ATOM 757 C LYS A 48 -1.509 -7.013 7.985 1.00 7.68 C ATOM 758 O LYS A 48 -1.750 -5.979 7.365 1.00 6.47 O ATOM 759 CB LYS A 48 -3.726 -7.415 8.816 1.00 9.74 C ATOM 760 CG LYS A 48 -4.697 -8.141 9.749 1.00 14.14 C ATOM 761 CD LYS A 48 -5.910 -8.626 8.952 1.00 16.32 C ATOM 762 CE LYS A 48 -6.937 -9.288 9.873 1.00 20.04 C ATOM 763 NZ LYS A 48 -8.265 -9.453 9.241 1.00 23.92 N ATOM 0 H LYS A 48 -2.672 -5.463 10.039 1.00 10.47 H new ATOM 0 HA LYS A 48 -1.854 -8.238 9.685 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -4.095 -6.399 8.674 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -3.766 -7.907 7.844 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -4.198 -8.987 10.222 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -5.018 -7.472 10.548 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -6.369 -7.785 8.433 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -5.589 -9.335 8.189 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -6.564 -10.265 10.180 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -7.044 -8.689 10.777 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -8.916 -9.906 9.914 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -8.639 -8.521 8.972 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -8.174 -10.048 8.393 1.00 23.92 H new ATOM 777 N GLN A 49 -0.654 -7.975 7.593 1.00 8.89 N ATOM 778 CA GLN A 49 0.308 -7.680 6.576 1.00 7.18 C ATOM 779 C GLN A 49 -0.110 -8.143 5.223 1.00 8.23 C ATOM 780 O GLN A 49 -0.441 -9.320 5.093 1.00 9.70 O ATOM 781 CB GLN A 49 1.696 -8.298 6.811 1.00 11.67 C ATOM 782 CG GLN A 49 2.418 -7.629 7.983 1.00 15.82 C ATOM 783 CD GLN A 49 3.679 -8.418 8.307 1.00 20.21 C ATOM 784 OE1 GLN A 49 4.794 -7.919 8.162 1.00 23.23 O ATOM 785 NE2 GLN A 49 3.551 -9.721 8.675 1.00 20.67 N ATOM 0 H GLN A 49 -0.626 -8.925 7.964 1.00 8.89 H new ATOM 0 HA GLN A 49 0.367 -6.593 6.629 1.00 7.18 H new ATOM 0 HB2 GLN A 49 1.591 -9.365 7.008 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.297 -8.198 5.907 1.00 11.67 H new ATOM 0 HG2 GLN A 49 2.673 -6.600 7.730 1.00 15.82 H new ATOM 0 HG3 GLN A 49 1.764 -7.590 8.854 1.00 15.82 H new ATOM 0 HE21 GLN A 49 2.624 -10.129 8.794 1.00 20.67 H new ATOM 0 HE22 GLN A 49 4.382 -10.291 8.832 1.00 20.67 H new ATOM 794 N LEU A 50 -0.166 -7.243 4.225 1.00 6.51 N ATOM 795 CA LEU A 50 -0.967 -7.484 3.065 1.00 7.41 C ATOM 796 C LEU A 50 -0.161 -8.144 2.000 1.00 8.27 C ATOM 797 O LEU A 50 0.878 -7.592 1.641 1.00 8.34 O ATOM 798 CB LEU A 50 -1.550 -6.176 2.504 1.00 7.13 C ATOM 799 CG LEU A 50 -2.209 -5.371 3.636 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.562 -4.020 2.990 1.00 9.11 C ATOM 801 CD2 LEU A 50 -3.374 -6.105 4.321 1.00 8.14 C ATOM 0 H LEU A 50 0.338 -6.356 4.220 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.785 -8.137 3.369 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.761 -5.586 2.038 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -2.283 -6.397 1.728 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.542 -5.224 4.485 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.040 -3.377 3.729 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.652 -3.542 2.627 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -3.244 -4.183 2.156 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.788 -5.475 5.108 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -4.149 -6.324 3.586 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -3.012 -7.037 4.755 1.00 8.14 H new ATOM 813 N GLU A 51 -0.594 -9.299 1.465 1.00 9.43 N ATOM 814 CA GLU A 51 -0.134 -10.057 0.344 1.00 11.90 C ATOM 815 C GLU A 51 -0.705 -9.694 -0.984 1.00 11.49 C ATOM 816 O GLU A 51 -1.812 -9.157 -0.973 1.00 9.88 O ATOM 817 CB GLU A 51 -0.363 -11.569 0.511 1.00 16.56 C ATOM 818 CG GLU A 51 0.191 -12.088 1.839 1.00 26.06 C ATOM 819 CD GLU A 51 0.139 -13.609 1.868 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.154 -14.248 1.484 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.857 -14.171 2.398 1.00 32.13 O ATOM 0 H GLU A 51 -1.393 -9.769 1.892 1.00 9.43 H new ATOM 0 HA GLU A 51 0.925 -9.798 0.342 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.430 -11.783 0.455 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.112 -12.101 -0.313 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.218 -11.749 1.971 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.388 -11.681 2.668 1.00 26.06 H new ATOM 828 N ASP A 52 -0.002 -9.905 -2.110 1.00 12.71 N ATOM 829 CA ASP A 52 -0.095 -9.179 -3.339 1.00 16.56 C ATOM 830 C ASP A 52 -1.346 -9.592 -4.036 1.00 15.83 C ATOM 831 O ASP A 52 -2.175 -8.826 -4.525 1.00 17.21 O ATOM 832 CB ASP A 52 1.180 -9.491 -4.140 1.00 21.05 C ATOM 833 CG ASP A 52 2.476 -8.939 -3.562 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.772 -7.743 -3.823 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.297 -9.722 -3.015 1.00 25.82 O ATOM 0 H ASP A 52 0.693 -10.650 -2.164 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.155 -8.100 -3.198 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.275 -10.573 -4.228 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.058 -9.098 -5.149 1.00 21.05 H new ATOM 840 N GLY A 53 -1.571 -10.912 -4.158 1.00 15.00 N ATOM 841 CA GLY A 53 -2.614 -11.516 -4.928 1.00 11.77 C ATOM 842 C GLY A 53 -3.877 -11.750 -4.174 1.00 11.10 C ATOM 843 O GLY A 53 -4.630 -12.688 -4.432 1.00 11.25 O ATOM 0 H GLY A 53 -0.986 -11.602 -3.688 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.830 -10.880 -5.787 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.256 -12.469 -5.318 1.00 11.77 H new ATOM 847 N ARG A 54 -4.225 -10.851 -3.236 1.00 8.53 N ATOM 848 CA ARG A 54 -5.433 -10.869 -2.470 1.00 9.05 C ATOM 849 C ARG A 54 -5.983 -9.524 -2.802 1.00 8.96 C ATOM 850 O ARG A 54 -5.249 -8.620 -3.197 1.00 11.60 O ATOM 851 CB ARG A 54 -5.267 -11.040 -0.951 1.00 7.97 C ATOM 852 CG ARG A 54 -4.878 -12.475 -0.588 1.00 9.62 C ATOM 853 CD ARG A 54 -5.804 -13.594 -1.067 1.00 12.20 C ATOM 854 NE ARG A 54 -5.201 -14.886 -0.632 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.755 -16.132 -0.699 1.00 22.08 C ATOM 856 NH1 ARG A 54 -7.040 -16.361 -1.096 1.00 23.38 N ATOM 857 NH2 ARG A 54 -5.056 -17.198 -0.212 1.00 25.50 N ATOM 0 H ARG A 54 -3.624 -10.062 -2.998 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.057 -11.728 -2.716 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.504 -10.352 -0.587 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.199 -10.776 -0.450 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.882 -12.666 -0.988 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.803 -12.540 0.497 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -6.802 -13.474 -0.645 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.911 -13.566 -2.151 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.262 -14.833 -0.237 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -7.639 -15.579 -1.362 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -7.402 -17.314 -1.127 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -4.132 -17.058 0.196 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -5.458 -18.134 -0.256 1.00 25.50 H new ATOM 871 N THR A 55 -7.286 -9.284 -2.575 1.00 9.05 N ATOM 872 CA THR A 55 -7.827 -7.999 -2.893 1.00 9.03 C ATOM 873 C THR A 55 -7.978 -7.079 -1.731 1.00 8.15 C ATOM 874 O THR A 55 -7.921 -7.541 -0.592 1.00 5.91 O ATOM 875 CB THR A 55 -9.160 -8.019 -3.581 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.241 -8.478 -2.782 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.104 -8.876 -4.856 1.00 11.71 C ATOM 0 H THR A 55 -7.947 -9.955 -2.184 1.00 9.05 H new ATOM 0 HA THR A 55 -7.060 -7.630 -3.574 1.00 9.03 H new ATOM 0 HB THR A 55 -9.358 -6.972 -3.812 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.972 -9.290 -2.303 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.082 -8.876 -5.338 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.362 -8.463 -5.540 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.828 -9.898 -4.596 1.00 11.71 H new ATOM 885 N LEU A 56 -8.174 -5.754 -1.851 1.00 6.91 N ATOM 886 CA LEU A 56 -8.571 -4.831 -0.833 1.00 8.29 C ATOM 887 C LEU A 56 -9.728 -5.167 0.043 1.00 8.05 C ATOM 888 O LEU A 56 -9.789 -4.944 1.251 1.00 10.17 O ATOM 889 CB LEU A 56 -8.796 -3.479 -1.532 1.00 6.60 C ATOM 890 CG LEU A 56 -7.491 -2.784 -1.954 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.748 -1.955 -3.224 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.923 -1.880 -0.848 1.00 9.85 C ATOM 0 H LEU A 56 -8.041 -5.286 -2.748 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.759 -4.841 -0.106 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.418 -3.634 -2.414 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.350 -2.820 -0.863 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.749 -3.559 -2.147 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.826 -1.460 -3.528 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.088 -2.612 -4.025 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.512 -1.205 -3.021 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -6.002 -1.413 -1.197 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.650 -1.107 -0.601 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.713 -2.478 0.039 1.00 9.85 H new ATOM 904 N SER A 57 -10.726 -5.796 -0.603 1.00 8.92 N ATOM 905 CA SER A 57 -11.898 -6.315 0.031 1.00 9.00 C ATOM 906 C SER A 57 -11.648 -7.587 0.767 1.00 9.44 C ATOM 907 O SER A 57 -12.473 -7.911 1.620 1.00 10.91 O ATOM 908 CB SER A 57 -13.155 -6.454 -0.844 1.00 10.32 C ATOM 909 OG SER A 57 -13.513 -5.189 -1.381 1.00 13.59 O ATOM 0 H SER A 57 -10.715 -5.949 -1.611 1.00 8.92 H new ATOM 0 HA SER A 57 -12.130 -5.521 0.740 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.970 -7.162 -1.652 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.978 -6.854 -0.252 1.00 10.32 H new ATOM 0 HG SER A 57 -12.712 -4.740 -1.722 1.00 13.59 H new ATOM 915 N ASP A 58 -10.546 -8.341 0.605 1.00 9.11 N ATOM 916 CA ASP A 58 -10.257 -9.466 1.438 1.00 7.91 C ATOM 917 C ASP A 58 -9.784 -9.017 2.778 1.00 9.12 C ATOM 918 O ASP A 58 -9.990 -9.703 3.778 1.00 8.61 O ATOM 919 CB ASP A 58 -9.292 -10.497 0.828 1.00 8.41 C ATOM 920 CG ASP A 58 -9.802 -11.143 -0.452 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.731 -11.994 -0.430 1.00 11.70 O ATOM 922 OD2 ASP A 58 -9.336 -10.703 -1.536 1.00 10.05 O ATOM 0 H ASP A 58 -9.845 -8.167 -0.115 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.203 -9.998 1.540 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.339 -10.009 0.622 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -9.098 -11.277 1.564 1.00 8.41 H new ATOM 927 N TYR A 59 -8.981 -7.938 2.785 1.00 7.97 N ATOM 928 CA TYR A 59 -8.349 -7.526 4.000 1.00 8.45 C ATOM 929 C TYR A 59 -9.248 -6.535 4.656 1.00 10.98 C ATOM 930 O TYR A 59 -8.875 -6.038 5.718 1.00 12.95 O ATOM 931 CB TYR A 59 -6.936 -6.968 3.758 1.00 7.94 C ATOM 932 CG TYR A 59 -6.030 -8.117 3.478 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.634 -8.968 4.482 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.421 -8.256 2.253 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.592 -9.843 4.284 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.415 -9.168 2.035 1.00 5.39 C ATOM 937 CZ TYR A 59 -4.033 -10.025 3.041 1.00 6.76 C ATOM 938 OH TYR A 59 -3.012 -10.964 2.781 1.00 7.63 O ATOM 0 H TYR A 59 -8.772 -7.362 1.970 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.202 -8.383 4.657 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.939 -6.272 2.919 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.590 -6.414 4.631 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.145 -8.949 5.433 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.743 -7.628 1.435 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.204 -10.400 5.124 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.925 -9.211 1.074 1.00 5.39 H new ATOM 0 HH TYR A 59 -3.029 -11.211 1.833 1.00 7.63 H new ATOM 948 N ASN A 60 -10.422 -6.260 4.062 1.00 12.38 N ATOM 949 CA ASN A 60 -11.401 -5.339 4.552 1.00 13.94 C ATOM 950 C ASN A 60 -11.000 -3.913 4.710 1.00 14.16 C ATOM 951 O ASN A 60 -11.293 -3.225 5.686 1.00 14.26 O ATOM 952 CB ASN A 60 -12.025 -5.797 5.881 1.00 19.23 C ATOM 953 CG ASN A 60 -12.554 -7.224 5.855 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.995 -8.158 6.428 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.679 -7.366 5.105 1.00 24.09 N ATOM 0 H ASN A 60 -10.704 -6.706 3.189 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.118 -5.360 3.731 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.278 -5.711 6.670 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.841 -5.122 6.140 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -14.105 -8.286 4.994 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -14.097 -6.552 4.654 1.00 24.09 H new ATOM 962 N ILE A 61 -10.315 -3.393 3.675 1.00 11.08 N ATOM 963 CA ILE A 61 -9.804 -2.060 3.600 1.00 11.78 C ATOM 964 C ILE A 61 -10.906 -1.217 3.057 1.00 13.74 C ATOM 965 O ILE A 61 -11.665 -1.508 2.135 1.00 14.60 O ATOM 966 CB ILE A 61 -8.551 -2.064 2.776 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.463 -2.820 3.558 1.00 11.56 C ATOM 968 CG2 ILE A 61 -8.042 -0.618 2.650 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.174 -2.965 2.750 1.00 11.42 C ATOM 0 H ILE A 61 -10.106 -3.939 2.839 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.511 -1.646 4.565 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.753 -2.514 1.804 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.251 -2.291 4.487 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.833 -3.808 3.831 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -7.130 -0.604 2.053 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.802 -0.005 2.166 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.832 -0.218 3.642 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.433 -3.505 3.340 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.380 -3.517 1.833 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.788 -1.977 2.500 1.00 11.42 H new ATOM 981 N GLN A 62 -11.073 -0.049 3.704 1.00 13.97 N ATOM 982 CA GLN A 62 -12.241 0.769 3.600 1.00 15.52 C ATOM 983 C GLN A 62 -11.893 2.052 2.928 1.00 13.94 C ATOM 984 O GLN A 62 -10.720 2.391 2.778 1.00 12.15 O ATOM 985 CB GLN A 62 -13.000 0.919 4.930 1.00 19.53 C ATOM 986 CG GLN A 62 -14.001 -0.223 5.116 1.00 26.38 C ATOM 987 CD GLN A 62 -14.937 -0.136 6.313 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.174 0.987 6.755 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.571 -1.252 6.763 1.00 32.71 N ATOM 0 H GLN A 62 -10.364 0.341 4.325 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.969 0.264 2.965 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.292 0.927 5.759 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.524 1.875 4.949 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.610 -0.289 4.214 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.441 -1.155 5.192 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.342 -2.164 6.367 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.276 -1.177 7.497 1.00 32.71 H new ATOM 998 N LYS A 63 -12.927 2.810 2.522 1.00 11.73 N ATOM 999 CA LYS A 63 -12.838 4.179 2.119 1.00 11.97 C ATOM 1000 C LYS A 63 -12.207 5.025 3.171 1.00 10.41 C ATOM 1001 O LYS A 63 -12.694 5.197 4.287 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.238 4.753 1.844 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.300 6.105 1.130 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.648 6.323 0.441 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.734 6.668 1.462 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.927 6.745 0.590 1.00 25.97 N ATOM 0 H LYS A 63 -13.879 2.446 2.472 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.226 4.197 1.217 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.792 4.028 1.247 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.760 4.847 2.796 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.127 6.905 1.850 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.501 6.163 0.391 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.562 7.127 -0.290 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.931 5.424 -0.107 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.834 5.903 2.232 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.535 7.610 1.973 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.762 6.978 1.164 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.784 7.482 -0.129 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.074 5.828 0.121 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.028 5.508 2.741 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.110 6.279 3.522 1.00 10.94 C ATOM 1022 C GLU A 64 -9.563 5.535 4.691 1.00 9.74 C ATOM 1023 O GLU A 64 -9.212 6.188 5.673 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.731 7.622 3.940 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.038 8.593 2.797 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.753 9.859 3.246 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.985 9.832 3.506 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -11.104 10.930 3.392 1.00 32.61 O ATOM 0 H GLU A 64 -10.695 5.350 1.790 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.255 6.487 2.878 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.656 7.422 4.481 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.054 8.113 4.638 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.105 8.868 2.305 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.652 8.084 2.054 1.00 24.16 H new ATOM 1035 N SER A 65 -9.267 4.227 4.589 1.00 6.85 N ATOM 1036 CA SER A 65 -8.366 3.600 5.505 1.00 6.90 C ATOM 1037 C SER A 65 -6.940 3.986 5.306 1.00 4.72 C ATOM 1038 O SER A 65 -6.505 4.276 4.193 1.00 3.91 O ATOM 1039 CB SER A 65 -8.371 2.071 5.335 1.00 7.28 C ATOM 1040 OG SER A 65 -9.686 1.582 5.558 1.00 10.56 O ATOM 0 H SER A 65 -9.649 3.606 3.876 1.00 6.85 H new ATOM 0 HA SER A 65 -8.723 3.927 6.482 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.035 1.803 4.333 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.675 1.612 6.038 1.00 7.28 H new ATOM 0 HG SER A 65 -9.642 0.744 6.064 1.00 10.56 H new ATOM 1046 N THR A 66 -6.084 4.039 6.342 1.00 4.48 N ATOM 1047 CA THR A 66 -4.709 4.400 6.190 1.00 3.80 C ATOM 1048 C THR A 66 -3.839 3.208 6.398 1.00 4.60 C ATOM 1049 O THR A 66 -3.951 2.473 7.378 1.00 5.33 O ATOM 1050 CB THR A 66 -4.205 5.474 7.108 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.043 6.598 6.885 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.794 5.947 6.722 1.00 3.40 C ATOM 0 H THR A 66 -6.352 3.827 7.303 1.00 4.48 H new ATOM 0 HA THR A 66 -4.659 4.797 5.176 1.00 3.80 H new ATOM 0 HB THR A 66 -4.196 5.090 8.128 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.760 7.337 7.463 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.469 6.725 7.413 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.102 5.106 6.771 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.809 6.346 5.708 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.930 2.949 5.442 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.963 1.897 5.470 1.00 3.85 C ATOM 1062 C LEU A 67 -0.572 2.291 5.831 1.00 3.80 C ATOM 1063 O LEU A 67 -0.105 3.311 5.328 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.920 1.016 4.210 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.309 0.666 3.651 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.070 0.083 2.248 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -4.119 -0.277 4.556 1.00 8.12 C ATOM 0 H LEU A 67 -2.867 3.512 4.594 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.357 1.305 6.296 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.347 1.529 3.438 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.388 0.093 4.441 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.931 1.560 3.604 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.026 -0.186 1.798 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.572 0.826 1.625 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.443 -0.805 2.325 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -5.087 -0.479 4.097 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.576 -1.213 4.685 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -4.269 0.192 5.528 1.00 8.12 H new ATOM 1079 N HIS A 68 0.112 1.451 6.628 1.00 2.94 N ATOM 1080 CA HIS A 68 1.451 1.719 7.055 1.00 4.17 C ATOM 1081 C HIS A 68 2.448 0.959 6.251 1.00 5.32 C ATOM 1082 O HIS A 68 2.587 -0.263 6.266 1.00 7.70 O ATOM 1083 CB HIS A 68 1.629 1.218 8.498 1.00 5.57 C ATOM 1084 CG HIS A 68 0.607 1.735 9.467 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.641 1.239 10.754 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.381 2.670 9.471 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.390 1.825 11.420 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.030 2.716 10.687 1.00 16.30 N ATOM 0 H HIS A 68 -0.269 0.573 6.981 1.00 2.94 H new ATOM 0 HA HIS A 68 1.609 2.792 6.950 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.593 0.129 8.498 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.621 1.504 8.849 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.627 3.298 8.627 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.656 1.587 12.439 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.820 3.302 10.957 1.00 16.30 H new ATOM 1096 N LEU A 69 3.222 1.689 5.428 1.00 5.29 N ATOM 1097 CA LEU A 69 4.156 1.098 4.520 1.00 3.97 C ATOM 1098 C LEU A 69 5.514 1.041 5.132 1.00 5.07 C ATOM 1099 O LEU A 69 6.037 2.044 5.614 1.00 4.34 O ATOM 1100 CB LEU A 69 4.260 1.971 3.258 1.00 6.08 C ATOM 1101 CG LEU A 69 5.502 1.781 2.370 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.582 0.377 1.747 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.610 2.947 1.373 1.00 6.87 C ATOM 0 H LEU A 69 3.199 2.708 5.392 1.00 5.29 H new ATOM 0 HA LEU A 69 3.809 0.093 4.280 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.377 1.787 2.647 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.222 3.016 3.566 1.00 6.08 H new ATOM 0 HG LEU A 69 6.396 1.822 2.992 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.479 0.303 1.131 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.623 -0.371 2.539 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.702 0.203 1.128 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.491 2.809 0.746 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.719 2.973 0.746 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.697 3.886 1.919 1.00 6.87 H new ATOM 1115 N VAL A 70 6.170 -0.133 5.152 1.00 4.29 N ATOM 1116 CA VAL A 70 7.559 -0.390 5.377 1.00 6.26 C ATOM 1117 C VAL A 70 8.360 -0.498 4.125 1.00 9.22 C ATOM 1118 O VAL A 70 8.088 -1.268 3.205 1.00 9.36 O ATOM 1119 CB VAL A 70 7.805 -1.596 6.235 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.297 -1.779 6.564 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.891 -1.450 7.463 1.00 8.54 C ATOM 0 H VAL A 70 5.663 -1.003 4.991 1.00 4.29 H new ATOM 0 HA VAL A 70 7.901 0.493 5.917 1.00 6.26 H new ATOM 0 HB VAL A 70 7.555 -2.520 5.713 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.426 -2.664 7.187 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.861 -1.900 5.639 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.662 -0.902 7.099 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.030 -2.305 8.124 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.143 -0.534 7.997 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.851 -1.407 7.139 1.00 8.54 H new ATOM 1131 N LEU A 71 9.398 0.352 4.029 1.00 12.71 N ATOM 1132 CA LEU A 71 10.406 0.405 3.016 1.00 16.06 C ATOM 1133 C LEU A 71 11.501 -0.538 3.380 1.00 18.09 C ATOM 1134 O LEU A 71 12.141 -0.595 4.428 1.00 19.26 O ATOM 1135 CB LEU A 71 11.052 1.800 2.983 1.00 17.10 C ATOM 1136 CG LEU A 71 10.174 2.989 2.561 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.765 4.387 2.810 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.731 2.833 1.096 1.00 17.51 C ATOM 0 H LEU A 71 9.543 1.075 4.734 1.00 12.71 H new ATOM 0 HA LEU A 71 9.944 0.161 2.059 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.444 2.010 3.978 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.905 1.758 2.306 1.00 17.10 H new ATOM 0 HG LEU A 71 9.312 2.945 3.227 1.00 19.37 H new ATOM 0 HD11 LEU A 71 10.059 5.146 2.474 1.00 19.57 H new ATOM 0 HD12 LEU A 71 10.957 4.517 3.875 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.699 4.491 2.258 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.110 3.682 0.811 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.610 2.794 0.452 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.159 1.912 0.985 1.00 17.51 H new