USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 -52:sc= 1.11 USER MOD Set 1.2: A 57 SER OG : rot -84:sc= 0.455 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.788 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.77 K(o=1.6,f=0.57) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 157:sc= 1.18 (180deg=-0.241) USER MOD Set 3.2: A 12 THR OG1 : rot 151:sc= 1 USER MOD Set 4.1: A 7 THR OG1 : rot 115:sc= 0.168 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.074) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.31 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.935 (180deg=-0.0423!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.18 (180deg=0.362) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0108) USER MOD Single : A 31 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 41 GLN : amide:sc= -0.151 K(o=-0.15,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.97) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.346 USER MOD Single : A 60 ASN : amide:sc= -0.0151 K(o=-0.015,f=-0.78) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 72:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0984 K(o=0.098,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.001 -7.558 -4.619 1.00 9.67 N ATOM 2 CA MET A 1 11.671 -7.999 -3.264 1.00 10.38 C ATOM 3 C MET A 1 10.178 -8.233 -3.002 1.00 9.62 C ATOM 4 O MET A 1 9.283 -7.902 -3.750 1.00 9.62 O ATOM 5 CB MET A 1 12.304 -6.929 -2.281 1.00 13.77 C ATOM 6 CG MET A 1 11.676 -5.501 -2.337 1.00 16.29 C ATOM 7 SD MET A 1 12.551 -4.334 -1.214 1.00 17.17 S ATOM 8 CE MET A 1 11.208 -3.081 -1.147 1.00 16.11 C ATOM 0 H1 MET A 1 12.988 -7.233 -4.647 1.00 9.67 H new ATOM 0 H2 MET A 1 11.878 -8.350 -5.281 1.00 9.67 H new ATOM 0 H3 MET A 1 11.371 -6.777 -4.893 1.00 9.67 H new ATOM 0 HA MET A 1 12.091 -8.992 -3.101 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.217 -7.304 -1.261 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.368 -6.846 -2.501 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.717 -5.124 -3.359 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.623 -5.554 -2.059 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.586 -2.166 -0.690 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.861 -2.865 -2.157 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.379 -3.467 -0.553 1.00 16.11 H new ATOM 20 N GLN A 2 9.859 -8.830 -1.886 1.00 9.27 N ATOM 21 CA GLN A 2 8.615 -9.079 -1.329 1.00 9.07 C ATOM 22 C GLN A 2 8.208 -8.080 -0.158 1.00 8.72 C ATOM 23 O GLN A 2 9.053 -7.665 0.631 1.00 8.22 O ATOM 24 CB GLN A 2 8.635 -10.561 -0.925 1.00 14.46 C ATOM 25 CG GLN A 2 7.363 -11.056 -0.193 1.00 17.01 C ATOM 26 CD GLN A 2 7.351 -12.545 0.000 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.674 -13.064 1.075 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.046 -13.359 -1.043 1.00 19.49 N ATOM 0 H GLN A 2 10.596 -9.194 -1.282 1.00 9.27 H new ATOM 0 HA GLN A 2 7.821 -8.888 -2.051 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.779 -11.165 -1.821 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.497 -10.735 -0.282 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.294 -10.567 0.779 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.482 -10.760 -0.763 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.776 -12.958 -1.941 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.087 -14.372 -0.928 1.00 19.49 H new ATOM 37 N ILE A 3 6.906 -7.719 -0.084 1.00 5.87 N ATOM 38 CA ILE A 3 6.364 -7.021 1.088 1.00 5.07 C ATOM 39 C ILE A 3 4.987 -7.536 1.332 1.00 4.01 C ATOM 40 O ILE A 3 4.238 -8.035 0.473 1.00 4.61 O ATOM 41 CB ILE A 3 6.272 -5.454 0.949 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.769 -5.026 -0.469 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.709 -4.835 1.168 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.107 -3.620 -0.450 1.00 10.83 C ATOM 0 H ILE A 3 6.222 -7.901 -0.819 1.00 5.87 H new ATOM 0 HA ILE A 3 7.058 -7.217 1.906 1.00 5.07 H new ATOM 0 HB ILE A 3 5.563 -5.093 1.694 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.607 -5.023 -1.166 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.052 -5.760 -0.836 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.656 -3.750 1.074 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.070 -5.096 2.163 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.394 -5.231 0.418 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.772 -3.362 -1.455 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.252 -3.629 0.226 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.832 -2.881 -0.108 1.00 10.83 H new ATOM 56 N PHE A 4 4.529 -7.372 2.592 1.00 4.55 N ATOM 57 CA PHE A 4 3.217 -7.883 3.057 1.00 4.68 C ATOM 58 C PHE A 4 2.266 -6.751 3.412 1.00 5.30 C ATOM 59 O PHE A 4 2.666 -5.723 3.960 1.00 5.58 O ATOM 60 CB PHE A 4 3.373 -8.806 4.317 1.00 4.83 C ATOM 61 CG PHE A 4 4.317 -9.966 4.061 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.896 -11.142 3.524 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.681 -9.806 4.427 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.750 -12.266 3.487 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.540 -10.973 4.491 1.00 10.61 C ATOM 66 CZ PHE A 4 6.031 -12.191 4.093 1.00 8.90 C ATOM 0 H PHE A 4 5.056 -6.883 3.316 1.00 4.55 H new ATOM 0 HA PHE A 4 2.805 -8.458 2.228 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.744 -8.215 5.155 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.396 -9.192 4.607 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.897 -11.217 3.121 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.074 -8.826 4.655 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.431 -13.176 3.001 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.558 -10.890 4.843 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.609 -13.091 4.243 1.00 8.90 H new ATOM 76 N VAL A 5 0.943 -6.833 3.075 1.00 4.44 N ATOM 77 CA VAL A 5 -0.081 -5.836 3.325 1.00 3.87 C ATOM 78 C VAL A 5 -1.213 -6.430 4.152 1.00 4.93 C ATOM 79 O VAL A 5 -2.038 -7.253 3.652 1.00 6.84 O ATOM 80 CB VAL A 5 -0.686 -5.195 2.033 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.707 -4.104 2.356 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.487 -4.587 1.242 1.00 9.13 C ATOM 0 H VAL A 5 0.568 -7.652 2.596 1.00 4.44 H new ATOM 0 HA VAL A 5 0.426 -5.039 3.869 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.212 -5.959 1.460 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.100 -3.688 1.429 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.524 -4.531 2.937 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.225 -3.314 2.933 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.110 -4.127 0.329 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.984 -3.831 1.851 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.199 -5.372 0.986 1.00 9.13 H new ATOM 92 N LYS A 6 -1.346 -5.960 5.419 1.00 6.04 N ATOM 93 CA LYS A 6 -2.247 -6.513 6.342 1.00 6.12 C ATOM 94 C LYS A 6 -3.569 -5.738 6.287 1.00 6.57 C ATOM 95 O LYS A 6 -3.659 -4.594 6.669 1.00 5.76 O ATOM 96 CB LYS A 6 -1.810 -6.522 7.840 1.00 7.45 C ATOM 97 CG LYS A 6 -0.826 -7.695 8.043 1.00 11.12 C ATOM 98 CD LYS A 6 -0.300 -7.836 9.461 1.00 14.54 C ATOM 99 CE LYS A 6 -0.205 -9.320 9.901 1.00 18.84 C ATOM 100 NZ LYS A 6 0.672 -10.046 8.908 1.00 20.55 N ATOM 0 H LYS A 6 -0.805 -5.178 5.787 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.317 -7.555 6.031 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.336 -5.577 8.104 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.678 -6.636 8.489 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.323 -8.623 7.759 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.019 -7.566 7.367 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.685 -7.374 9.530 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.954 -7.296 10.146 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.214 -9.394 10.905 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.196 -9.772 9.935 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.070 -10.897 9.354 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.105 -10.321 8.080 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.446 -9.420 8.605 1.00 20.55 H new ATOM 114 N THR A 7 -4.605 -6.337 5.756 1.00 7.41 N ATOM 115 CA THR A 7 -5.960 -5.816 5.664 1.00 7.48 C ATOM 116 C THR A 7 -6.611 -5.761 7.001 1.00 8.75 C ATOM 117 O THR A 7 -6.327 -6.517 7.875 1.00 8.58 O ATOM 118 CB THR A 7 -6.858 -6.447 4.619 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.355 -7.731 5.029 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.135 -6.588 3.279 1.00 9.17 C ATOM 0 H THR A 7 -4.526 -7.267 5.346 1.00 7.41 H new ATOM 0 HA THR A 7 -5.824 -4.801 5.290 1.00 7.48 H new ATOM 0 HB THR A 7 -7.708 -5.774 4.502 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.327 -7.685 5.142 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.805 -7.044 2.550 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.829 -5.603 2.925 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.254 -7.218 3.405 1.00 9.17 H new ATOM 128 N LEU A 8 -7.512 -4.743 7.200 1.00 9.84 N ATOM 129 CA LEU A 8 -8.246 -4.534 8.441 1.00 14.15 C ATOM 130 C LEU A 8 -9.181 -5.749 8.796 1.00 17.37 C ATOM 131 O LEU A 8 -9.251 -6.242 9.891 1.00 17.01 O ATOM 132 CB LEU A 8 -8.996 -3.234 8.412 1.00 16.63 C ATOM 133 CG LEU A 8 -9.445 -2.644 9.759 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.224 -2.004 10.435 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.592 -1.671 9.529 1.00 18.59 C ATOM 0 H LEU A 8 -7.732 -4.053 6.481 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.512 -4.472 9.244 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.369 -2.495 7.913 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.882 -3.371 7.792 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.826 -3.413 10.430 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.520 -1.578 11.394 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.458 -2.763 10.596 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.826 -1.216 9.796 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.911 -1.252 10.484 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.261 -0.867 8.872 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.427 -2.196 9.066 1.00 18.59 H new ATOM 147 N THR A 9 -9.767 -6.311 7.761 1.00 18.33 N ATOM 148 CA THR A 9 -10.572 -7.551 7.832 1.00 19.24 C ATOM 149 C THR A 9 -9.781 -8.755 8.121 1.00 19.48 C ATOM 150 O THR A 9 -10.263 -9.674 8.805 1.00 23.14 O ATOM 151 CB THR A 9 -11.405 -7.739 6.569 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.578 -7.891 5.429 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.310 -6.546 6.306 1.00 19.70 C ATOM 0 H THR A 9 -9.707 -5.925 6.819 1.00 18.33 H new ATOM 0 HA THR A 9 -11.242 -7.420 8.682 1.00 19.24 H new ATOM 0 HB THR A 9 -12.003 -8.635 6.736 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.137 -8.011 4.633 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.886 -6.720 5.397 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.990 -6.413 7.147 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.703 -5.649 6.185 1.00 19.70 H new ATOM 161 N GLY A 10 -8.476 -8.883 7.753 1.00 19.43 N ATOM 162 CA GLY A 10 -7.677 -9.925 8.383 1.00 18.74 C ATOM 163 C GLY A 10 -6.587 -10.498 7.506 1.00 17.62 C ATOM 164 O GLY A 10 -5.591 -11.003 8.037 1.00 19.74 O ATOM 0 H GLY A 10 -7.994 -8.306 7.063 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.223 -9.520 9.287 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.338 -10.734 8.694 1.00 18.74 H new ATOM 168 N LYS A 11 -6.832 -10.628 6.139 1.00 13.56 N ATOM 169 CA LYS A 11 -5.888 -11.295 5.222 1.00 11.91 C ATOM 170 C LYS A 11 -4.552 -10.540 5.262 1.00 10.18 C ATOM 171 O LYS A 11 -4.543 -9.311 5.222 1.00 9.10 O ATOM 172 CB LYS A 11 -6.398 -11.255 3.709 1.00 13.43 C ATOM 173 CG LYS A 11 -5.540 -11.916 2.679 1.00 16.69 C ATOM 174 CD LYS A 11 -6.310 -12.065 1.347 1.00 17.92 C ATOM 175 CE LYS A 11 -5.435 -12.651 0.231 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.306 -13.010 -0.870 1.00 21.93 N ATOM 0 H LYS A 11 -7.673 -10.274 5.682 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.793 -12.332 5.543 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.385 -11.717 3.673 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.524 -10.211 3.423 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.636 -11.329 2.519 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.224 -12.897 3.035 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.177 -12.707 1.501 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.687 -11.090 1.037 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.690 -11.924 -0.092 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.892 -13.525 0.590 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.742 -13.119 -1.737 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.787 -13.907 -0.654 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.015 -12.262 -1.010 1.00 21.93 H new ATOM 190 N THR A 12 -3.402 -11.253 5.329 1.00 9.63 N ATOM 191 CA THR A 12 -2.090 -10.770 4.971 1.00 9.85 C ATOM 192 C THR A 12 -1.843 -10.967 3.412 1.00 11.66 C ATOM 193 O THR A 12 -1.414 -12.032 3.009 1.00 12.33 O ATOM 194 CB THR A 12 -0.866 -11.352 5.696 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.036 -11.269 7.068 1.00 10.91 O ATOM 196 CG2 THR A 12 0.379 -10.537 5.386 1.00 9.63 C ATOM 0 H THR A 12 -3.387 -12.221 5.651 1.00 9.63 H new ATOM 0 HA THR A 12 -2.143 -9.730 5.294 1.00 9.85 H new ATOM 0 HB THR A 12 -0.760 -12.384 5.362 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.548 -11.999 7.503 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.234 -10.966 5.909 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.566 -10.552 4.312 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.231 -9.508 5.714 1.00 9.63 H new ATOM 204 N ILE A 13 -2.004 -9.934 2.604 1.00 10.42 N ATOM 205 CA ILE A 13 -1.622 -9.925 1.155 1.00 11.84 C ATOM 206 C ILE A 13 -0.124 -9.965 0.941 1.00 10.55 C ATOM 207 O ILE A 13 0.614 -9.230 1.633 1.00 11.92 O ATOM 208 CB ILE A 13 -2.109 -8.667 0.362 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.526 -8.205 0.821 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.020 -9.037 -1.154 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.991 -6.924 0.095 1.00 16.46 C ATOM 0 H ILE A 13 -2.408 -9.051 2.917 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.115 -10.823 0.784 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.479 -7.799 0.559 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.243 -9.005 0.637 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.517 -8.027 1.896 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.350 -8.190 -1.755 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.989 -9.283 -1.409 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.659 -9.897 -1.357 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.983 -6.644 0.450 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.290 -6.115 0.300 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.029 -7.108 -0.979 1.00 16.46 H new ATOM 223 N THR A 14 0.443 -10.904 0.135 1.00 9.39 N ATOM 224 CA THR A 14 1.797 -10.873 -0.252 1.00 9.63 C ATOM 225 C THR A 14 1.909 -10.203 -1.612 1.00 11.20 C ATOM 226 O THR A 14 1.191 -10.496 -2.581 1.00 11.63 O ATOM 227 CB THR A 14 2.353 -12.256 -0.536 1.00 10.38 C ATOM 228 OG1 THR A 14 2.222 -13.133 0.527 1.00 16.30 O ATOM 229 CG2 THR A 14 3.857 -12.268 -0.863 1.00 11.66 C ATOM 0 H THR A 14 -0.073 -11.697 -0.246 1.00 9.39 H new ATOM 0 HA THR A 14 2.323 -10.376 0.563 1.00 9.63 H new ATOM 0 HB THR A 14 1.757 -12.568 -1.394 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.597 -14.004 0.280 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.180 -13.291 -1.054 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.042 -11.658 -1.747 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.416 -11.863 -0.020 1.00 11.66 H new ATOM 237 N LEU A 15 2.758 -9.148 -1.668 1.00 8.29 N ATOM 238 CA LEU A 15 3.074 -8.350 -2.891 1.00 9.03 C ATOM 239 C LEU A 15 4.549 -8.512 -3.301 1.00 8.59 C ATOM 240 O LEU A 15 5.423 -8.905 -2.539 1.00 7.79 O ATOM 241 CB LEU A 15 2.754 -6.838 -2.708 1.00 11.08 C ATOM 242 CG LEU A 15 1.305 -6.411 -2.546 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.234 -4.860 -2.252 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.417 -6.866 -3.692 1.00 15.27 C ATOM 0 H LEU A 15 3.259 -8.815 -0.844 1.00 8.29 H new ATOM 0 HA LEU A 15 2.435 -8.742 -3.682 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.301 -6.489 -1.832 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.160 -6.308 -3.570 1.00 11.08 H new ATOM 0 HG LEU A 15 0.889 -6.926 -1.680 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.193 -4.559 -2.137 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.780 -4.638 -1.335 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.681 -4.312 -3.081 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.605 -6.530 -3.516 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.783 -6.441 -4.627 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.435 -7.954 -3.756 1.00 15.27 H new ATOM 256 N GLU A 16 4.867 -8.162 -4.565 1.00 11.04 N ATOM 257 CA GLU A 16 6.160 -8.193 -5.231 1.00 11.50 C ATOM 258 C GLU A 16 6.379 -6.806 -5.728 1.00 10.13 C ATOM 259 O GLU A 16 5.507 -6.134 -6.294 1.00 9.83 O ATOM 260 CB GLU A 16 6.152 -9.200 -6.388 1.00 17.22 C ATOM 261 CG GLU A 16 7.612 -9.392 -6.792 1.00 23.33 C ATOM 262 CD GLU A 16 7.821 -10.361 -7.966 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.434 -9.962 -9.117 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.340 -11.478 -7.817 1.00 28.86 O ATOM 0 H GLU A 16 4.143 -7.818 -5.196 1.00 11.04 H new ATOM 0 HA GLU A 16 6.957 -8.509 -4.558 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.706 -10.145 -6.079 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.562 -8.827 -7.225 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.034 -8.423 -7.057 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.170 -9.758 -5.930 1.00 23.33 H new ATOM 271 N VAL A 17 7.597 -6.337 -5.443 1.00 8.99 N ATOM 272 CA VAL A 17 7.989 -4.939 -5.527 1.00 8.85 C ATOM 273 C VAL A 17 9.441 -4.766 -5.760 1.00 8.04 C ATOM 274 O VAL A 17 10.274 -5.701 -5.707 1.00 8.99 O ATOM 275 CB VAL A 17 7.614 -4.013 -4.319 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.015 -3.992 -4.219 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.341 -4.586 -3.070 1.00 10.54 C ATOM 0 H VAL A 17 8.357 -6.945 -5.138 1.00 8.99 H new ATOM 0 HA VAL A 17 7.390 -4.617 -6.379 1.00 8.85 H new ATOM 0 HB VAL A 17 7.933 -2.976 -4.423 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.711 -3.356 -3.387 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.598 -3.601 -5.147 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.647 -5.005 -4.055 1.00 12.05 H new ATOM 0 HG21 VAL A 17 8.109 -3.971 -2.200 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.007 -5.608 -2.892 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.417 -4.581 -3.241 1.00 10.54 H new ATOM 287 N GLU A 18 9.776 -3.513 -6.138 1.00 7.29 N ATOM 288 CA GLU A 18 11.085 -3.001 -6.255 1.00 7.08 C ATOM 289 C GLU A 18 11.086 -1.650 -5.468 1.00 6.45 C ATOM 290 O GLU A 18 10.054 -0.980 -5.466 1.00 5.28 O ATOM 291 CB GLU A 18 11.420 -2.716 -7.759 1.00 10.28 C ATOM 292 CG GLU A 18 12.857 -2.233 -8.144 1.00 12.65 C ATOM 293 CD GLU A 18 13.703 -3.472 -8.334 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.886 -4.156 -7.316 1.00 18.17 O ATOM 295 OE2 GLU A 18 14.133 -3.764 -9.452 1.00 14.33 O ATOM 0 H GLU A 18 9.067 -2.819 -6.376 1.00 7.29 H new ATOM 0 HA GLU A 18 11.822 -3.706 -5.869 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.221 -3.630 -8.318 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.715 -1.965 -8.115 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.832 -1.639 -9.058 1.00 12.65 H new ATOM 0 HG3 GLU A 18 13.273 -1.598 -7.362 1.00 12.65 H new ATOM 302 N PRO A 19 12.099 -1.181 -4.702 1.00 7.24 N ATOM 303 CA PRO A 19 12.085 0.056 -3.946 1.00 7.07 C ATOM 304 C PRO A 19 11.850 1.308 -4.763 1.00 6.65 C ATOM 305 O PRO A 19 11.638 2.377 -4.200 1.00 6.37 O ATOM 306 CB PRO A 19 13.525 0.059 -3.326 1.00 7.61 C ATOM 307 CG PRO A 19 14.305 -0.796 -4.272 1.00 8.16 C ATOM 308 CD PRO A 19 13.340 -1.907 -4.526 1.00 7.49 C ATOM 0 HA PRO A 19 11.259 0.082 -3.235 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.934 1.067 -3.263 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.529 -0.350 -2.316 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.568 -0.263 -5.186 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.236 -1.153 -3.831 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.605 -2.486 -5.411 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.291 -2.606 -3.691 1.00 7.49 H new ATOM 316 N SER A 20 11.948 1.305 -6.122 1.00 6.80 N ATOM 317 CA SER A 20 11.477 2.357 -7.018 1.00 6.28 C ATOM 318 C SER A 20 9.992 2.365 -7.285 1.00 8.45 C ATOM 319 O SER A 20 9.591 3.304 -7.935 1.00 7.26 O ATOM 320 CB SER A 20 12.262 2.308 -8.374 1.00 8.57 C ATOM 321 OG SER A 20 12.301 0.967 -8.905 1.00 11.13 O ATOM 0 H SER A 20 12.378 0.530 -6.627 1.00 6.80 H new ATOM 0 HA SER A 20 11.677 3.286 -6.485 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.789 2.974 -9.096 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.278 2.672 -8.223 1.00 8.57 H new ATOM 0 HG SER A 20 12.795 0.965 -9.752 1.00 11.13 H new ATOM 327 N ASP A 21 9.165 1.360 -6.873 1.00 7.50 N ATOM 328 CA ASP A 21 7.740 1.199 -7.072 1.00 7.70 C ATOM 329 C ASP A 21 7.012 2.333 -6.278 1.00 7.08 C ATOM 330 O ASP A 21 7.317 2.618 -5.145 1.00 8.11 O ATOM 331 CB ASP A 21 7.246 -0.210 -6.772 1.00 11.00 C ATOM 332 CG ASP A 21 7.668 -1.203 -7.789 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.126 -0.853 -8.941 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.452 -2.401 -7.530 1.00 18.03 O ATOM 0 H ASP A 21 9.544 0.576 -6.342 1.00 7.50 H new ATOM 0 HA ASP A 21 7.496 1.311 -8.128 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.618 -0.519 -5.795 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.158 -0.202 -6.711 1.00 11.00 H new ATOM 339 N THR A 22 6.042 3.003 -6.942 1.00 5.37 N ATOM 340 CA THR A 22 5.269 4.071 -6.334 1.00 6.01 C ATOM 341 C THR A 22 4.056 3.586 -5.575 1.00 8.01 C ATOM 342 O THR A 22 3.414 2.620 -5.904 1.00 8.11 O ATOM 343 CB THR A 22 4.781 5.278 -7.241 1.00 8.92 C ATOM 344 OG1 THR A 22 3.859 4.789 -8.244 1.00 10.22 O ATOM 345 CG2 THR A 22 6.070 5.916 -7.891 1.00 9.65 C ATOM 0 H THR A 22 5.786 2.807 -7.910 1.00 5.37 H new ATOM 0 HA THR A 22 6.045 4.468 -5.679 1.00 6.01 H new ATOM 0 HB THR A 22 4.251 6.033 -6.661 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.557 5.536 -8.803 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.781 6.754 -8.526 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.737 6.270 -7.105 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.584 5.166 -8.492 1.00 9.65 H new ATOM 353 N ILE A 23 3.551 4.426 -4.641 1.00 8.32 N ATOM 354 CA ILE A 23 2.294 4.070 -3.891 1.00 9.92 C ATOM 355 C ILE A 23 1.031 4.076 -4.790 1.00 10.01 C ATOM 356 O ILE A 23 0.041 3.407 -4.560 1.00 8.71 O ATOM 357 CB ILE A 23 2.072 4.920 -2.708 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.357 5.168 -1.901 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.911 4.378 -1.859 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.039 3.875 -1.329 1.00 12.30 C ATOM 0 H ILE A 23 3.965 5.323 -4.386 1.00 8.32 H new ATOM 0 HA ILE A 23 2.458 3.049 -3.547 1.00 9.92 H new ATOM 0 HB ILE A 23 1.775 5.908 -3.061 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.073 5.688 -2.537 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.124 5.836 -1.071 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.764 5.020 -0.991 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.000 4.362 -2.457 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.145 3.367 -1.527 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.937 4.151 -0.776 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.345 3.362 -0.663 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.309 3.212 -2.151 1.00 12.30 H new ATOM 372 N GLU A 24 1.064 4.773 -5.938 1.00 9.54 N ATOM 373 CA GLU A 24 0.140 4.566 -7.058 1.00 11.81 C ATOM 374 C GLU A 24 0.187 3.226 -7.689 1.00 11.14 C ATOM 375 O GLU A 24 -0.863 2.629 -7.911 1.00 10.62 O ATOM 376 CB GLU A 24 0.439 5.689 -8.036 1.00 19.24 C ATOM 377 CG GLU A 24 -0.769 6.034 -8.936 1.00 27.76 C ATOM 378 CD GLU A 24 -0.483 7.169 -9.887 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.456 7.148 -10.722 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.290 8.153 -9.851 1.00 34.80 O ATOM 0 H GLU A 24 1.748 5.509 -6.114 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.886 4.594 -6.692 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.739 6.578 -7.481 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.284 5.404 -8.663 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.055 5.151 -9.507 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.620 6.297 -8.309 1.00 27.76 H new ATOM 387 N ASN A 25 1.421 2.712 -7.963 1.00 9.43 N ATOM 388 CA ASN A 25 1.580 1.323 -8.359 1.00 10.96 C ATOM 389 C ASN A 25 1.336 0.342 -7.188 1.00 9.68 C ATOM 390 O ASN A 25 0.968 -0.791 -7.463 1.00 9.33 O ATOM 391 CB ASN A 25 3.003 1.095 -8.831 1.00 16.78 C ATOM 392 CG ASN A 25 3.216 1.654 -10.253 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.900 0.970 -11.268 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.689 2.898 -10.429 1.00 24.70 N ATOM 0 H ASN A 25 2.290 3.244 -7.912 1.00 9.43 H new ATOM 0 HA ASN A 25 0.847 1.136 -9.144 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.699 1.573 -8.141 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.226 0.028 -8.820 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.789 3.277 -11.371 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.949 3.464 -9.621 1.00 24.70 H new ATOM 401 N VAL A 26 1.478 0.706 -5.893 1.00 6.52 N ATOM 402 CA VAL A 26 1.133 -0.223 -4.768 1.00 5.53 C ATOM 403 C VAL A 26 -0.319 -0.601 -4.744 1.00 4.42 C ATOM 404 O VAL A 26 -0.836 -1.709 -4.580 1.00 3.40 O ATOM 405 CB VAL A 26 1.509 0.269 -3.357 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.101 -0.695 -2.221 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.019 0.425 -3.360 1.00 8.12 C ATOM 0 H VAL A 26 1.822 1.618 -5.594 1.00 6.52 H new ATOM 0 HA VAL A 26 1.755 -1.089 -4.996 1.00 5.53 H new ATOM 0 HB VAL A 26 0.972 1.196 -3.156 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.402 -0.274 -1.261 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.020 -0.835 -2.233 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.593 -1.657 -2.366 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.351 0.773 -2.382 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.484 -0.536 -3.580 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.308 1.150 -4.121 1.00 8.12 H new ATOM 417 N LYS A 27 -1.163 0.465 -5.011 1.00 2.64 N ATOM 418 CA LYS A 27 -2.605 0.312 -4.977 1.00 4.14 C ATOM 419 C LYS A 27 -3.132 -0.418 -6.206 1.00 5.58 C ATOM 420 O LYS A 27 -4.054 -1.226 -6.179 1.00 4.11 O ATOM 421 CB LYS A 27 -3.360 1.599 -4.779 1.00 3.97 C ATOM 422 CG LYS A 27 -3.020 2.399 -3.501 1.00 7.45 C ATOM 423 CD LYS A 27 -3.748 3.699 -3.292 1.00 9.02 C ATOM 424 CE LYS A 27 -3.160 4.901 -4.017 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.964 6.130 -3.758 1.00 15.47 N ATOM 0 H LYS A 27 -0.842 1.405 -5.243 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.791 -0.297 -4.093 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.179 2.239 -5.642 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.426 1.373 -4.768 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.215 1.760 -2.640 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.950 2.608 -3.507 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.782 3.572 -3.613 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.770 3.916 -2.224 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.132 5.060 -3.691 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.127 4.703 -5.088 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.834 6.802 -4.541 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.970 5.877 -3.682 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.650 6.570 -2.869 1.00 15.47 H new ATOM 439 N ALA A 28 -2.534 -0.237 -7.390 1.00 6.61 N ATOM 440 CA ALA A 28 -2.941 -0.811 -8.605 1.00 7.74 C ATOM 441 C ALA A 28 -2.629 -2.332 -8.554 1.00 9.17 C ATOM 442 O ALA A 28 -3.257 -3.139 -9.248 1.00 11.45 O ATOM 443 CB ALA A 28 -2.237 -0.095 -9.785 1.00 7.68 C ATOM 0 H ALA A 28 -1.709 0.354 -7.493 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.013 -0.688 -8.760 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.556 -0.544 -10.726 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.502 0.962 -9.779 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.157 -0.199 -9.681 1.00 7.68 H new ATOM 449 N LYS A 29 -1.596 -2.772 -7.829 1.00 8.96 N ATOM 450 CA LYS A 29 -1.345 -4.154 -7.562 1.00 7.90 C ATOM 451 C LYS A 29 -2.413 -4.778 -6.660 1.00 6.92 C ATOM 452 O LYS A 29 -2.966 -5.846 -6.870 1.00 6.87 O ATOM 453 CB LYS A 29 0.064 -4.379 -6.969 1.00 10.28 C ATOM 454 CG LYS A 29 1.185 -4.076 -7.901 1.00 14.94 C ATOM 455 CD LYS A 29 2.441 -3.873 -7.018 1.00 19.69 C ATOM 456 CE LYS A 29 3.673 -3.496 -7.930 1.00 22.63 C ATOM 457 NZ LYS A 29 3.963 -4.452 -9.053 1.00 24.98 N ATOM 0 H LYS A 29 -0.907 -2.147 -7.411 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.392 -4.661 -8.526 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.172 -3.760 -6.078 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.147 -5.417 -6.647 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.334 -4.892 -8.608 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.973 -3.182 -8.487 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.261 -3.084 -6.288 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.655 -4.783 -6.458 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.500 -2.507 -8.354 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.560 -3.422 -7.301 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.818 -4.144 -9.559 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.115 -5.406 -8.667 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.158 -4.469 -9.711 1.00 24.98 H new ATOM 471 N ILE A 30 -2.778 -4.139 -5.581 1.00 4.57 N ATOM 472 CA ILE A 30 -3.795 -4.582 -4.641 1.00 5.58 C ATOM 473 C ILE A 30 -5.155 -4.707 -5.342 1.00 7.26 C ATOM 474 O ILE A 30 -5.886 -5.657 -5.208 1.00 9.46 O ATOM 475 CB ILE A 30 -3.822 -3.679 -3.390 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.430 -3.937 -2.655 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.981 -4.021 -2.427 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.285 -3.119 -1.385 1.00 2.00 C ATOM 0 H ILE A 30 -2.358 -3.249 -5.312 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.543 -5.579 -4.280 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.972 -2.640 -3.683 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.341 -4.996 -2.414 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.613 -3.695 -3.335 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.948 -3.353 -1.566 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.932 -3.899 -2.945 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.881 -5.053 -2.089 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.321 -3.331 -0.923 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.346 -2.058 -1.627 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.084 -3.379 -0.691 1.00 2.00 H new ATOM 490 N GLN A 31 -5.502 -3.789 -6.312 1.00 7.06 N ATOM 491 CA GLN A 31 -6.697 -3.967 -7.238 1.00 8.67 C ATOM 492 C GLN A 31 -6.657 -5.241 -8.105 1.00 10.90 C ATOM 493 O GLN A 31 -7.593 -6.013 -8.112 1.00 9.63 O ATOM 494 CB GLN A 31 -7.077 -2.726 -8.024 1.00 9.12 C ATOM 495 CG GLN A 31 -8.504 -2.908 -8.574 1.00 10.76 C ATOM 496 CD GLN A 31 -9.017 -1.714 -9.377 1.00 13.78 C ATOM 497 OE1 GLN A 31 -10.051 -1.081 -9.157 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.143 -1.212 -10.262 1.00 14.76 N ATOM 0 H GLN A 31 -4.982 -2.927 -6.476 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.522 -4.126 -6.543 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.028 -1.844 -7.385 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.374 -2.567 -8.842 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.528 -3.796 -9.206 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.183 -3.091 -7.741 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.278 -1.713 -10.465 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.343 -0.329 -10.732 1.00 14.76 H new ATOM 507 N ASP A 32 -5.482 -5.591 -8.609 1.00 10.93 N ATOM 508 CA ASP A 32 -5.165 -6.844 -9.270 1.00 14.01 C ATOM 509 C ASP A 32 -5.316 -8.069 -8.398 1.00 14.04 C ATOM 510 O ASP A 32 -5.821 -9.019 -8.905 1.00 13.39 O ATOM 511 CB ASP A 32 -3.762 -6.689 -9.975 1.00 18.01 C ATOM 512 CG ASP A 32 -3.725 -7.700 -11.057 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.629 -7.829 -11.912 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.681 -8.377 -11.156 1.00 26.29 O ATOM 0 H ASP A 32 -4.676 -4.967 -8.563 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.913 -7.042 -10.037 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.639 -5.684 -10.378 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.951 -6.850 -9.265 1.00 18.01 H new ATOM 519 N LYS A 33 -4.939 -7.989 -7.133 1.00 14.22 N ATOM 520 CA LYS A 33 -4.979 -9.129 -6.276 1.00 14.00 C ATOM 521 C LYS A 33 -6.385 -9.288 -5.777 1.00 12.37 C ATOM 522 O LYS A 33 -6.940 -10.400 -5.857 1.00 12.17 O ATOM 523 CB LYS A 33 -4.034 -8.902 -5.084 1.00 18.62 C ATOM 524 CG LYS A 33 -2.506 -9.001 -5.437 1.00 24.00 C ATOM 525 CD LYS A 33 -2.097 -10.452 -5.552 1.00 27.61 C ATOM 526 CE LYS A 33 -0.559 -10.606 -5.618 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.161 -12.019 -5.857 1.00 30.06 N ATOM 0 H LYS A 33 -4.602 -7.135 -6.689 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.666 -10.023 -6.815 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.233 -7.918 -4.661 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.263 -9.634 -4.310 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.306 -8.482 -6.375 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.913 -8.507 -4.667 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.483 -11.008 -4.698 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.546 -10.888 -6.445 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.163 -9.976 -6.415 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.117 -10.255 -4.685 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.876 -12.086 -5.896 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.518 -12.616 -5.084 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.563 -12.345 -6.759 1.00 30.06 H new ATOM 541 N GLU A 34 -7.005 -8.244 -5.165 1.00 10.11 N ATOM 542 CA GLU A 34 -8.192 -8.446 -4.322 1.00 10.07 C ATOM 543 C GLU A 34 -9.379 -7.637 -4.861 1.00 9.32 C ATOM 544 O GLU A 34 -10.445 -7.597 -4.204 1.00 11.61 O ATOM 545 CB GLU A 34 -7.955 -7.943 -2.849 1.00 14.77 C ATOM 546 CG GLU A 34 -6.757 -8.658 -2.112 1.00 18.75 C ATOM 547 CD GLU A 34 -6.883 -10.148 -2.254 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.801 -10.737 -1.637 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.085 -10.789 -2.958 1.00 21.95 O ATOM 0 H GLU A 34 -6.701 -7.273 -5.243 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.393 -9.517 -4.334 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.768 -6.869 -2.868 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.867 -8.097 -2.272 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.809 -8.323 -2.532 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.753 -8.384 -1.057 1.00 18.75 H new ATOM 556 N GLY A 35 -9.317 -6.976 -6.066 1.00 7.22 N ATOM 557 CA GLY A 35 -10.399 -6.243 -6.656 1.00 6.29 C ATOM 558 C GLY A 35 -10.816 -5.011 -5.875 1.00 6.93 C ATOM 559 O GLY A 35 -11.977 -4.555 -5.993 1.00 7.41 O ATOM 0 H GLY A 35 -8.472 -6.963 -6.637 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.111 -5.941 -7.663 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.259 -6.905 -6.755 1.00 6.29 H new ATOM 563 N ILE A 36 -9.926 -4.454 -5.030 1.00 5.86 N ATOM 564 CA ILE A 36 -10.174 -3.189 -4.295 1.00 6.07 C ATOM 565 C ILE A 36 -9.711 -1.927 -5.116 1.00 6.36 C ATOM 566 O ILE A 36 -8.535 -1.878 -5.432 1.00 6.18 O ATOM 567 CB ILE A 36 -9.382 -3.200 -2.948 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.759 -4.449 -2.156 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.796 -1.938 -2.097 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.753 -4.627 -0.969 1.00 9.49 C ATOM 0 H ILE A 36 -9.013 -4.865 -4.835 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.248 -3.124 -4.123 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.312 -3.188 -3.155 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.777 -4.360 -1.776 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.736 -5.326 -2.803 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.247 -1.938 -1.155 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.561 -1.031 -2.654 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.866 -1.972 -1.894 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.017 -5.518 -0.399 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.742 -4.734 -1.362 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.799 -3.753 -0.319 1.00 9.49 H new ATOM 582 N PRO A 37 -10.567 -0.913 -5.440 1.00 8.65 N ATOM 583 CA PRO A 37 -10.186 0.310 -6.232 1.00 9.18 C ATOM 584 C PRO A 37 -9.087 1.124 -5.584 1.00 9.85 C ATOM 585 O PRO A 37 -9.117 1.242 -4.309 1.00 8.51 O ATOM 586 CB PRO A 37 -11.429 1.194 -6.158 1.00 11.42 C ATOM 587 CG PRO A 37 -12.549 0.095 -6.391 1.00 9.27 C ATOM 588 CD PRO A 37 -11.997 -1.149 -5.520 1.00 8.33 C ATOM 0 HA PRO A 37 -9.849 0.009 -7.224 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.529 1.696 -5.196 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.437 1.969 -6.924 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.527 0.431 -6.046 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.654 -0.161 -7.445 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.453 -1.177 -4.530 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.218 -2.102 -6.000 1.00 8.33 H new ATOM 596 N PRO A 38 -8.122 1.738 -6.267 1.00 8.71 N ATOM 597 CA PRO A 38 -7.153 2.572 -5.596 1.00 9.08 C ATOM 598 C PRO A 38 -7.723 3.778 -4.847 1.00 9.28 C ATOM 599 O PRO A 38 -7.056 4.197 -3.940 1.00 6.50 O ATOM 600 CB PRO A 38 -6.179 2.932 -6.705 1.00 10.31 C ATOM 601 CG PRO A 38 -6.248 1.757 -7.705 1.00 10.81 C ATOM 602 CD PRO A 38 -7.711 1.294 -7.628 1.00 12.00 C ATOM 0 HA PRO A 38 -6.680 2.046 -4.767 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.456 3.872 -7.183 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.169 3.058 -6.316 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.981 2.074 -8.713 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.560 0.957 -7.430 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.322 1.752 -8.405 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.801 0.214 -7.746 1.00 12.00 H new ATOM 610 N ASP A 39 -8.943 4.370 -5.148 1.00 11.20 N ATOM 611 CA ASP A 39 -9.508 5.531 -4.397 1.00 14.96 C ATOM 612 C ASP A 39 -10.072 5.103 -3.037 1.00 13.99 C ATOM 613 O ASP A 39 -10.259 5.937 -2.141 1.00 13.75 O ATOM 614 CB ASP A 39 -10.600 6.201 -5.164 1.00 24.16 C ATOM 615 CG ASP A 39 -10.042 6.804 -6.442 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.940 7.413 -6.443 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.679 6.551 -7.526 1.00 35.55 O ATOM 0 H ASP A 39 -9.541 4.049 -5.909 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.682 6.227 -4.249 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.382 5.481 -5.403 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.059 6.980 -4.555 1.00 24.16 H new ATOM 622 N GLN A 40 -10.245 3.813 -2.847 1.00 11.60 N ATOM 623 CA GLN A 40 -10.569 3.370 -1.442 1.00 10.76 C ATOM 624 C GLN A 40 -9.338 3.249 -0.541 1.00 8.01 C ATOM 625 O GLN A 40 -9.502 3.321 0.687 1.00 8.96 O ATOM 626 CB GLN A 40 -11.219 1.925 -1.341 1.00 11.14 C ATOM 627 CG GLN A 40 -12.635 1.958 -2.065 1.00 14.85 C ATOM 628 CD GLN A 40 -13.270 0.577 -2.028 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.999 -0.282 -1.170 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.133 0.307 -2.996 1.00 18.16 N ATOM 0 H GLN A 40 -10.182 3.082 -3.556 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.257 4.155 -1.127 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.571 1.184 -1.810 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.334 1.633 -0.297 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.287 2.680 -1.574 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.517 2.286 -3.098 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.351 1.015 -3.697 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.579 -0.609 -3.041 1.00 18.16 H new ATOM 639 N GLN A 41 -8.072 2.952 -1.137 1.00 6.52 N ATOM 640 CA GLN A 41 -7.044 2.356 -0.386 1.00 3.87 C ATOM 641 C GLN A 41 -6.261 3.373 0.336 1.00 4.79 C ATOM 642 O GLN A 41 -5.736 4.303 -0.283 1.00 6.34 O ATOM 643 CB GLN A 41 -6.086 1.551 -1.356 1.00 4.20 C ATOM 644 CG GLN A 41 -6.828 0.438 -2.130 1.00 3.20 C ATOM 645 CD GLN A 41 -5.764 -0.413 -2.813 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.679 -0.569 -2.299 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.096 -1.014 -3.980 1.00 7.13 N ATOM 0 H GLN A 41 -7.835 3.144 -2.110 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.494 1.683 0.343 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.630 2.241 -2.066 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.276 1.108 -0.776 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.430 -0.167 -1.453 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.509 0.867 -2.865 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.019 -0.862 -4.387 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.423 -1.619 -4.452 1.00 7.13 H new ATOM 656 N ARG A 42 -6.063 3.191 1.677 1.00 5.73 N ATOM 657 CA ARG A 42 -5.195 4.069 2.487 1.00 6.97 C ATOM 658 C ARG A 42 -4.110 3.117 3.082 1.00 7.15 C ATOM 659 O ARG A 42 -4.381 2.269 3.926 1.00 7.33 O ATOM 660 CB ARG A 42 -5.938 4.647 3.666 1.00 13.23 C ATOM 661 CG ARG A 42 -7.025 5.596 3.097 1.00 21.27 C ATOM 662 CD ARG A 42 -7.769 6.271 4.247 1.00 26.14 C ATOM 663 NE ARG A 42 -8.775 7.132 3.561 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.522 7.994 4.191 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.744 7.824 5.498 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.270 8.831 3.576 1.00 36.39 N ATOM 0 H ARG A 42 -6.499 2.439 2.210 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.812 4.886 1.876 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.391 3.855 4.262 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.258 5.190 4.322 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.566 6.349 2.456 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.725 5.034 2.478 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.246 5.540 4.899 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.095 6.860 4.869 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.883 7.042 2.551 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.331 7.029 5.986 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.326 8.489 6.007 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.296 8.839 2.556 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.840 9.490 4.106 1.00 36.39 H new ATOM 680 N LEU A 43 -2.878 3.332 2.634 1.00 4.65 N ATOM 681 CA LEU A 43 -1.728 2.624 3.101 1.00 3.51 C ATOM 682 C LEU A 43 -1.001 3.334 4.183 1.00 5.56 C ATOM 683 O LEU A 43 -0.698 4.548 4.109 1.00 4.19 O ATOM 684 CB LEU A 43 -0.772 2.483 1.903 1.00 3.74 C ATOM 685 CG LEU A 43 -1.091 1.447 0.803 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.049 0.020 1.297 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.475 1.689 0.188 1.00 6.41 C ATOM 0 H LEU A 43 -2.663 4.025 1.917 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.059 1.669 3.508 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.701 3.459 1.424 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.217 2.249 2.298 1.00 3.74 H new ATOM 0 HG LEU A 43 -0.309 1.583 0.056 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.282 -0.657 0.475 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.053 -0.203 1.680 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.781 -0.111 2.094 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.667 0.942 -0.582 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -3.236 1.613 0.964 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.507 2.684 -0.256 1.00 6.41 H new ATOM 699 N ILE A 44 -0.724 2.707 5.277 1.00 4.58 N ATOM 700 CA ILE A 44 -0.022 3.314 6.379 1.00 5.55 C ATOM 701 C ILE A 44 1.226 2.582 6.664 1.00 5.46 C ATOM 702 O ILE A 44 1.185 1.375 6.695 1.00 6.04 O ATOM 703 CB ILE A 44 -0.951 3.465 7.599 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.161 4.364 7.318 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.108 3.838 8.827 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.215 4.423 8.433 1.00 13.90 C ATOM 0 H ILE A 44 -0.982 1.734 5.442 1.00 4.58 H new ATOM 0 HA ILE A 44 0.279 4.326 6.107 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.425 2.510 7.828 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.803 5.376 7.127 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.644 4.018 6.404 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.758 3.947 9.695 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.624 3.053 9.018 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.409 4.779 8.641 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.026 5.086 8.132 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.611 3.423 8.613 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.757 4.802 9.347 1.00 13.90 H new ATOM 718 N PHE A 45 2.348 3.237 6.873 1.00 6.75 N ATOM 719 CA PHE A 45 3.569 2.679 7.359 1.00 4.70 C ATOM 720 C PHE A 45 4.152 3.704 8.371 1.00 6.34 C ATOM 721 O PHE A 45 4.426 4.883 8.097 1.00 5.45 O ATOM 722 CB PHE A 45 4.617 2.602 6.180 1.00 5.51 C ATOM 723 CG PHE A 45 5.816 1.764 6.478 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.717 0.406 6.440 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.091 2.377 6.688 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.873 -0.413 6.659 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.237 1.594 6.880 1.00 6.64 C ATOM 728 CZ PHE A 45 8.128 0.142 6.837 1.00 6.84 C ATOM 0 H PHE A 45 2.425 4.238 6.693 1.00 6.75 H new ATOM 0 HA PHE A 45 3.388 1.693 7.788 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.121 2.205 5.294 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.946 3.612 5.935 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.761 -0.057 6.244 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.171 3.454 6.699 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.762 -1.487 6.686 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.193 2.063 7.058 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.002 -0.484 6.941 1.00 6.84 H new ATOM 738 N ALA A 46 4.426 3.172 9.571 1.00 6.53 N ATOM 739 CA ALA A 46 5.197 3.848 10.606 1.00 7.15 C ATOM 740 C ALA A 46 4.820 5.226 11.003 1.00 9.00 C ATOM 741 O ALA A 46 5.677 6.123 10.950 1.00 11.15 O ATOM 742 CB ALA A 46 6.717 3.711 10.313 1.00 8.99 C ATOM 0 H ALA A 46 4.109 2.243 9.847 1.00 6.53 H new ATOM 0 HA ALA A 46 4.918 3.307 11.511 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.285 4.219 11.092 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.990 2.656 10.295 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.943 4.161 9.347 1.00 8.99 H new ATOM 748 N GLY A 47 3.575 5.510 11.399 1.00 9.35 N ATOM 749 CA GLY A 47 3.166 6.890 11.775 1.00 11.68 C ATOM 750 C GLY A 47 3.001 7.817 10.601 1.00 11.14 C ATOM 751 O GLY A 47 2.694 9.018 10.702 1.00 13.93 O ATOM 0 H GLY A 47 2.830 4.817 11.471 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.225 6.843 12.324 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.910 7.307 12.453 1.00 11.68 H new ATOM 755 N LYS A 48 3.073 7.337 9.329 1.00 10.47 N ATOM 756 CA LYS A 48 2.780 8.136 8.164 1.00 8.82 C ATOM 757 C LYS A 48 1.732 7.501 7.252 1.00 7.68 C ATOM 758 O LYS A 48 1.695 6.307 7.015 1.00 6.47 O ATOM 759 CB LYS A 48 4.069 8.397 7.375 1.00 9.74 C ATOM 760 CG LYS A 48 4.161 9.658 6.550 1.00 14.14 C ATOM 761 CD LYS A 48 4.762 10.870 7.284 1.00 16.32 C ATOM 762 CE LYS A 48 4.640 12.102 6.415 1.00 20.04 C ATOM 763 NZ LYS A 48 4.910 13.308 7.244 1.00 23.92 N ATOM 0 H LYS A 48 3.340 6.377 9.110 1.00 10.47 H new ATOM 0 HA LYS A 48 2.360 9.076 8.521 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.897 8.402 8.084 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.227 7.550 6.707 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.763 9.453 5.665 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.162 9.921 6.202 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.245 11.028 8.230 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.809 10.682 7.521 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.346 12.049 5.586 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.642 12.159 5.981 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.828 14.160 6.654 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.220 13.357 8.021 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.871 13.251 7.638 1.00 23.92 H new ATOM 777 N GLN A 49 0.792 8.283 6.704 1.00 8.89 N ATOM 778 CA GLN A 49 -0.072 7.767 5.714 1.00 7.18 C ATOM 779 C GLN A 49 0.494 8.029 4.334 1.00 8.23 C ATOM 780 O GLN A 49 0.832 9.164 3.959 1.00 9.70 O ATOM 781 CB GLN A 49 -1.543 8.189 5.774 1.00 11.67 C ATOM 782 CG GLN A 49 -2.470 7.268 4.938 1.00 15.82 C ATOM 783 CD GLN A 49 -3.860 7.798 5.083 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.634 7.100 5.758 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.069 8.986 4.522 1.00 20.67 N ATOM 0 H GLN A 49 0.636 9.261 6.947 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.105 6.701 5.938 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.875 8.184 6.812 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.637 9.214 5.414 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.166 7.263 3.891 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.411 6.239 5.291 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.324 9.438 3.991 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.974 9.445 4.623 1.00 20.67 H new ATOM 794 N LEU A 50 0.692 6.974 3.503 1.00 6.51 N ATOM 795 CA LEU A 50 1.546 7.162 2.330 1.00 7.41 C ATOM 796 C LEU A 50 0.854 7.891 1.159 1.00 8.27 C ATOM 797 O LEU A 50 -0.379 8.006 1.075 1.00 8.34 O ATOM 798 CB LEU A 50 2.084 5.768 1.809 1.00 7.13 C ATOM 799 CG LEU A 50 2.504 4.826 2.928 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.967 3.512 2.308 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.566 5.416 3.813 1.00 9.11 C ATOM 0 H LEU A 50 0.294 6.042 3.621 1.00 6.51 H new ATOM 0 HA LEU A 50 2.365 7.797 2.669 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.309 5.288 1.212 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.935 5.939 1.149 1.00 7.13 H new ATOM 0 HG LEU A 50 1.645 4.651 3.575 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.272 2.825 3.097 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.149 3.070 1.738 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.811 3.700 1.645 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.827 4.701 4.594 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.451 5.643 3.218 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.191 6.332 4.270 1.00 9.11 H new ATOM 813 N GLU A 51 1.681 8.393 0.190 1.00 9.43 N ATOM 814 CA GLU A 51 1.126 9.134 -0.906 1.00 11.90 C ATOM 815 C GLU A 51 1.603 8.792 -2.262 1.00 11.49 C ATOM 816 O GLU A 51 2.749 8.523 -2.515 1.00 9.88 O ATOM 817 CB GLU A 51 1.454 10.718 -0.766 1.00 16.56 C ATOM 818 CG GLU A 51 0.843 11.316 0.571 1.00 26.06 C ATOM 819 CD GLU A 51 0.931 12.829 0.702 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.051 13.587 0.190 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.933 13.350 1.254 1.00 33.44 O ATOM 0 H GLU A 51 2.695 8.285 0.174 1.00 9.43 H new ATOM 0 HA GLU A 51 0.071 8.871 -0.828 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.533 10.871 -0.775 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.049 11.253 -1.625 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.204 11.022 0.636 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.355 10.863 1.420 1.00 26.06 H new ATOM 828 N ASP A 52 0.633 8.748 -3.201 1.00 12.71 N ATOM 829 CA ASP A 52 0.609 8.108 -4.464 1.00 16.56 C ATOM 830 C ASP A 52 1.900 8.206 -5.277 1.00 15.83 C ATOM 831 O ASP A 52 2.326 7.199 -5.870 1.00 17.21 O ATOM 832 CB ASP A 52 -0.593 8.729 -5.255 1.00 21.05 C ATOM 833 CG ASP A 52 -1.850 8.461 -4.503 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.068 8.729 -3.320 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.866 8.059 -5.179 1.00 25.82 O ATOM 0 H ASP A 52 -0.248 9.234 -3.034 1.00 12.71 H new ATOM 0 HA ASP A 52 0.498 7.037 -4.294 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.449 9.802 -5.380 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.651 8.297 -6.254 1.00 21.05 H new ATOM 840 N GLY A 53 2.491 9.432 -5.421 1.00 15.00 N ATOM 841 CA GLY A 53 3.580 9.683 -6.350 1.00 11.77 C ATOM 842 C GLY A 53 4.987 9.465 -5.871 1.00 11.10 C ATOM 843 O GLY A 53 5.965 9.634 -6.587 1.00 11.25 O ATOM 0 H GLY A 53 2.209 10.254 -4.887 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.424 9.051 -7.224 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.499 10.717 -6.686 1.00 11.77 H new ATOM 847 N ARG A 54 5.067 9.128 -4.572 1.00 8.53 N ATOM 848 CA ARG A 54 6.295 8.790 -3.854 1.00 9.05 C ATOM 849 C ARG A 54 6.563 7.291 -4.128 1.00 8.96 C ATOM 850 O ARG A 54 5.667 6.473 -4.458 1.00 11.60 O ATOM 851 CB ARG A 54 6.075 8.923 -2.336 1.00 7.97 C ATOM 852 CG ARG A 54 5.666 10.321 -1.966 1.00 9.62 C ATOM 853 CD ARG A 54 6.649 11.483 -2.422 1.00 12.20 C ATOM 854 NE ARG A 54 6.232 12.682 -1.641 1.00 18.23 N ATOM 855 CZ ARG A 54 6.746 13.828 -2.088 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.577 13.914 -3.103 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.382 14.925 -1.491 1.00 23.38 N ATOM 0 H ARG A 54 4.241 9.084 -3.975 1.00 8.53 H new ATOM 0 HA ARG A 54 7.107 9.443 -4.173 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.307 8.220 -2.014 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.991 8.658 -1.809 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.683 10.515 -2.395 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.556 10.371 -0.883 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.687 11.222 -2.217 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.571 11.666 -3.494 1.00 12.20 H new ATOM 0 HE ARG A 54 5.608 12.630 -0.836 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.865 13.071 -3.599 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.934 14.824 -3.394 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.726 14.888 -0.711 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.753 15.823 -1.803 1.00 23.38 H new ATOM 871 N THR A 55 7.826 6.906 -3.854 1.00 9.05 N ATOM 872 CA THR A 55 8.310 5.565 -3.933 1.00 9.03 C ATOM 873 C THR A 55 8.171 4.864 -2.595 1.00 8.15 C ATOM 874 O THR A 55 8.126 5.489 -1.531 1.00 5.91 O ATOM 875 CB THR A 55 9.747 5.366 -4.444 1.00 11.15 C ATOM 876 OG1 THR A 55 10.806 5.789 -3.600 1.00 11.95 O ATOM 877 CG2 THR A 55 9.967 6.109 -5.814 1.00 11.71 C ATOM 0 H THR A 55 8.545 7.569 -3.562 1.00 9.05 H new ATOM 0 HA THR A 55 7.672 5.125 -4.699 1.00 9.03 H new ATOM 0 HB THR A 55 9.805 4.280 -4.512 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.655 6.717 -3.325 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.991 5.952 -6.153 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.274 5.714 -6.557 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.788 7.176 -5.682 1.00 11.71 H new ATOM 885 N LEU A 56 8.411 3.527 -2.578 1.00 6.91 N ATOM 886 CA LEU A 56 8.594 2.666 -1.449 1.00 8.29 C ATOM 887 C LEU A 56 9.841 2.936 -0.575 1.00 8.05 C ATOM 888 O LEU A 56 9.825 2.866 0.652 1.00 10.17 O ATOM 889 CB LEU A 56 8.623 1.142 -1.865 1.00 6.60 C ATOM 890 CG LEU A 56 7.288 0.442 -2.245 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.627 -0.858 -2.970 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.234 0.254 -1.117 1.00 8.64 C ATOM 0 H LEU A 56 8.482 3.006 -3.452 1.00 6.91 H new ATOM 0 HA LEU A 56 7.722 2.902 -0.840 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.299 1.045 -2.714 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.065 0.583 -1.040 1.00 6.60 H new ATOM 0 HG LEU A 56 6.755 1.132 -2.899 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.706 -1.370 -3.248 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.203 -0.634 -3.868 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.214 -1.499 -2.312 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.354 -0.247 -1.521 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.661 -0.351 -0.317 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.947 1.228 -0.721 1.00 8.64 H new ATOM 904 N SER A 57 10.957 3.372 -1.192 1.00 8.92 N ATOM 905 CA SER A 57 12.178 3.676 -0.471 1.00 9.00 C ATOM 906 C SER A 57 12.205 5.056 0.057 1.00 9.44 C ATOM 907 O SER A 57 13.075 5.415 0.842 1.00 10.91 O ATOM 908 CB SER A 57 13.397 3.358 -1.324 1.00 10.32 C ATOM 909 OG SER A 57 13.442 4.094 -2.546 1.00 13.59 O ATOM 0 H SER A 57 11.023 3.518 -2.199 1.00 8.92 H new ATOM 0 HA SER A 57 12.206 3.030 0.407 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.299 3.568 -0.749 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.405 2.292 -1.550 1.00 10.32 H new ATOM 0 HG SER A 57 12.897 3.640 -3.222 1.00 13.59 H new ATOM 915 N ASP A 58 11.199 5.942 -0.282 1.00 9.11 N ATOM 916 CA ASP A 58 11.128 7.238 0.245 1.00 7.91 C ATOM 917 C ASP A 58 10.703 7.191 1.710 1.00 9.12 C ATOM 918 O ASP A 58 10.900 8.171 2.460 1.00 8.61 O ATOM 919 CB ASP A 58 10.095 8.098 -0.478 1.00 8.41 C ATOM 920 CG ASP A 58 10.514 8.677 -1.794 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.417 9.563 -1.770 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.950 8.309 -2.837 1.00 11.70 O ATOM 0 H ASP A 58 10.446 5.717 -0.932 1.00 9.11 H new ATOM 0 HA ASP A 58 12.122 7.669 0.124 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.201 7.495 -0.639 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.812 8.918 0.181 1.00 8.41 H new ATOM 927 N TYR A 59 10.125 6.099 2.112 1.00 7.97 N ATOM 928 CA TYR A 59 9.503 5.876 3.424 1.00 8.45 C ATOM 929 C TYR A 59 10.358 4.864 4.208 1.00 10.98 C ATOM 930 O TYR A 59 10.090 4.501 5.344 1.00 12.95 O ATOM 931 CB TYR A 59 8.093 5.214 3.396 1.00 7.94 C ATOM 932 CG TYR A 59 7.138 6.163 2.732 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.767 7.391 3.396 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.573 5.951 1.499 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.898 8.326 2.851 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.760 6.938 0.887 1.00 6.52 C ATOM 937 CZ TYR A 59 5.375 8.080 1.560 1.00 6.76 C ATOM 938 OH TYR A 59 4.485 8.964 0.869 1.00 7.63 O ATOM 0 H TYR A 59 10.060 5.277 1.511 1.00 7.97 H new ATOM 0 HA TYR A 59 9.424 6.874 3.855 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.128 4.269 2.853 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.760 4.987 4.409 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.189 7.593 4.370 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.751 5.017 0.987 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.628 9.217 3.398 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.433 6.793 -0.132 1.00 6.52 H new ATOM 0 HH TYR A 59 4.662 9.888 1.145 1.00 7.63 H new ATOM 948 N ASN A 60 11.450 4.376 3.643 1.00 12.38 N ATOM 949 CA ASN A 60 12.312 3.332 4.214 1.00 13.94 C ATOM 950 C ASN A 60 11.753 1.896 4.275 1.00 14.16 C ATOM 951 O ASN A 60 12.099 1.057 5.108 1.00 14.26 O ATOM 952 CB ASN A 60 13.041 3.680 5.540 1.00 19.23 C ATOM 953 CG ASN A 60 13.733 5.053 5.338 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.394 5.251 4.306 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.622 5.925 6.363 1.00 24.09 N ATOM 0 H ASN A 60 11.781 4.704 2.736 1.00 12.38 H new ATOM 0 HA ASN A 60 13.063 3.327 3.424 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.333 3.724 6.368 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.774 2.913 5.788 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.103 6.824 6.322 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.057 5.685 7.178 1.00 24.09 H new ATOM 962 N ILE A 61 10.903 1.577 3.253 1.00 11.08 N ATOM 963 CA ILE A 61 10.379 0.224 3.161 1.00 11.78 C ATOM 964 C ILE A 61 11.258 -0.710 2.347 1.00 13.74 C ATOM 965 O ILE A 61 11.577 -0.484 1.228 1.00 14.60 O ATOM 966 CB ILE A 61 9.018 0.348 2.439 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.110 1.418 3.133 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.351 -1.052 2.243 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.782 1.621 2.401 1.00 11.42 C ATOM 0 H ILE A 61 10.592 2.220 2.525 1.00 11.08 H new ATOM 0 HA ILE A 61 10.317 -0.199 4.164 1.00 11.78 H new ATOM 0 HB ILE A 61 9.180 0.724 1.429 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.912 1.111 4.160 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.644 2.367 3.181 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.395 -0.932 1.733 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.005 -1.686 1.644 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.187 -1.516 3.215 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.190 2.373 2.923 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.976 1.955 1.382 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.233 0.680 2.376 1.00 11.42 H new ATOM 981 N GLN A 62 11.678 -1.875 2.981 1.00 13.97 N ATOM 982 CA GLN A 62 12.682 -2.825 2.587 1.00 15.52 C ATOM 983 C GLN A 62 12.031 -4.125 2.562 1.00 13.94 C ATOM 984 O GLN A 62 10.873 -4.275 2.883 1.00 12.15 O ATOM 985 CB GLN A 62 13.905 -2.805 3.557 1.00 19.53 C ATOM 986 CG GLN A 62 14.519 -1.421 3.849 1.00 26.38 C ATOM 987 CD GLN A 62 15.459 -1.410 5.093 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.164 -1.822 6.179 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.727 -0.902 4.898 1.00 32.71 N ATOM 0 H GLN A 62 11.248 -2.154 3.863 1.00 13.97 H new ATOM 0 HA GLN A 62 13.087 -2.579 1.606 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.599 -3.251 4.503 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.683 -3.444 3.140 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.081 -1.089 2.976 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.716 -0.701 4.004 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.998 -0.546 3.981 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.393 -0.882 5.670 1.00 32.71 H new ATOM 998 N LYS A 63 12.736 -5.233 2.169 1.00 11.73 N ATOM 999 CA LYS A 63 12.112 -6.564 1.982 1.00 11.97 C ATOM 1000 C LYS A 63 11.525 -7.108 3.270 1.00 10.41 C ATOM 1001 O LYS A 63 12.029 -6.918 4.354 1.00 9.59 O ATOM 1002 CB LYS A 63 13.070 -7.541 1.263 1.00 13.73 C ATOM 1003 CG LYS A 63 14.111 -8.244 2.171 1.00 16.98 C ATOM 1004 CD LYS A 63 15.054 -9.028 1.335 1.00 20.19 C ATOM 1005 CE LYS A 63 16.263 -9.584 2.036 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.104 -10.336 1.096 1.00 25.97 N ATOM 0 H LYS A 63 13.738 -5.219 1.978 1.00 11.73 H new ATOM 0 HA LYS A 63 11.258 -6.443 1.315 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.474 -8.305 0.764 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.603 -6.994 0.485 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.657 -7.504 2.756 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.606 -8.900 2.880 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.506 -9.858 0.888 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.395 -8.393 0.517 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.839 -8.772 2.479 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.950 -10.234 2.853 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.934 -10.712 1.597 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.556 -11.123 0.693 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.418 -9.706 0.331 1.00 25.97 H new ATOM 1020 N GLU A 64 10.349 -7.785 3.155 1.00 10.04 N ATOM 1021 CA GLU A 64 9.480 -8.326 4.130 1.00 10.94 C ATOM 1022 C GLU A 64 9.020 -7.298 5.157 1.00 9.74 C ATOM 1023 O GLU A 64 8.700 -7.610 6.299 1.00 9.42 O ATOM 1024 CB GLU A 64 10.157 -9.527 4.844 1.00 18.31 C ATOM 1025 CG GLU A 64 10.598 -10.744 3.952 1.00 24.16 C ATOM 1026 CD GLU A 64 11.048 -11.936 4.727 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.959 -11.742 5.602 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.576 -13.035 4.527 1.00 32.61 O ATOM 0 H GLU A 64 9.975 -7.966 2.223 1.00 10.04 H new ATOM 0 HA GLU A 64 8.588 -8.664 3.601 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.039 -9.155 5.366 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.469 -9.898 5.604 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.764 -11.033 3.313 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.407 -10.425 3.295 1.00 24.16 H new ATOM 1035 N SER A 65 8.958 -5.966 4.828 1.00 6.85 N ATOM 1036 CA SER A 65 8.187 -4.996 5.607 1.00 6.90 C ATOM 1037 C SER A 65 6.692 -5.347 5.675 1.00 4.72 C ATOM 1038 O SER A 65 6.072 -5.971 4.802 1.00 3.91 O ATOM 1039 CB SER A 65 8.190 -3.624 4.950 1.00 7.28 C ATOM 1040 OG SER A 65 9.478 -3.086 4.893 1.00 10.56 O ATOM 0 H SER A 65 9.440 -5.562 4.025 1.00 6.85 H new ATOM 0 HA SER A 65 8.661 -5.008 6.589 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.782 -3.701 3.942 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.538 -2.951 5.507 1.00 7.28 H new ATOM 0 HG SER A 65 10.006 -3.570 4.224 1.00 10.56 H new ATOM 1046 N THR A 66 6.073 -4.883 6.803 1.00 4.48 N ATOM 1047 CA THR A 66 4.625 -5.097 7.009 1.00 3.80 C ATOM 1048 C THR A 66 3.994 -3.759 6.702 1.00 4.60 C ATOM 1049 O THR A 66 4.306 -2.703 7.318 1.00 5.33 O ATOM 1050 CB THR A 66 4.197 -5.507 8.459 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.564 -6.851 8.743 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.722 -5.388 8.729 1.00 3.40 C ATOM 0 H THR A 66 6.543 -4.377 7.553 1.00 4.48 H new ATOM 0 HA THR A 66 4.312 -5.929 6.378 1.00 3.80 H new ATOM 0 HB THR A 66 4.723 -4.799 9.099 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.287 -7.080 9.655 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.514 -5.691 9.755 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.408 -4.354 8.586 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.173 -6.032 8.042 1.00 3.40 H new ATOM 1060 N LEU A 67 3.164 -3.605 5.684 1.00 4.17 N ATOM 1061 CA LEU A 67 2.387 -2.435 5.240 1.00 3.85 C ATOM 1062 C LEU A 67 0.990 -2.688 5.760 1.00 3.80 C ATOM 1063 O LEU A 67 0.542 -3.803 5.941 1.00 5.54 O ATOM 1064 CB LEU A 67 2.518 -2.323 3.688 1.00 7.18 C ATOM 1065 CG LEU A 67 3.594 -1.320 3.254 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.997 -1.889 3.455 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.283 -0.813 1.820 1.00 11.66 C ATOM 0 H LEU A 67 2.990 -4.395 5.062 1.00 4.17 H new ATOM 0 HA LEU A 67 2.726 -1.470 5.618 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.755 -3.304 3.276 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.558 -2.024 3.267 1.00 7.18 H new ATOM 0 HG LEU A 67 3.573 -0.439 3.895 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.737 -1.154 3.138 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.147 -2.123 4.509 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.110 -2.796 2.862 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.048 -0.100 1.512 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.274 -1.657 1.130 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.308 -0.326 1.810 1.00 11.66 H new ATOM 1079 N HIS A 68 0.236 -1.653 6.086 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.090 -1.813 6.670 1.00 4.17 C ATOM 1081 C HIS A 68 -2.027 -1.150 5.686 1.00 5.32 C ATOM 1082 O HIS A 68 -1.600 -0.159 5.109 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.122 -1.077 8.013 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.005 -1.425 8.972 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.288 -0.927 8.863 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.098 -2.367 10.002 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.094 -1.502 9.824 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.416 -2.415 10.524 1.00 16.30 N ATOM 0 H HIS A 68 0.521 -0.682 5.956 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.362 -2.854 6.847 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.092 -0.005 7.821 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.074 -1.287 8.500 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.595 -0.239 8.175 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.720 -2.978 10.354 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.131 -1.248 9.988 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.250 -1.814 5.515 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.222 -1.342 4.554 1.00 3.97 C ATOM 1098 C LEU A 69 -5.463 -1.051 5.320 1.00 5.07 C ATOM 1099 O LEU A 69 -6.040 -1.861 5.999 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.465 -2.286 3.346 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.562 -1.857 2.357 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.331 -0.537 1.640 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.806 -2.895 1.292 1.00 9.96 C ATOM 0 H LEU A 69 -3.532 -2.645 6.035 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.836 -0.446 4.067 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.529 -2.387 2.797 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.717 -3.275 3.729 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.424 -1.735 3.013 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.166 -0.336 0.969 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.253 0.266 2.373 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.408 -0.593 1.063 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.589 -2.547 0.618 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.888 -3.060 0.728 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.118 -3.829 1.759 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.973 0.192 5.105 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.308 0.628 5.518 1.00 6.26 C ATOM 1117 C VAL A 70 -8.103 1.086 4.321 1.00 9.22 C ATOM 1118 O VAL A 70 -7.566 1.737 3.406 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.265 1.825 6.506 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.611 1.985 7.283 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.077 1.630 7.504 1.00 8.54 C ATOM 0 H VAL A 70 -5.445 0.924 4.629 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.765 -0.233 6.005 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.116 2.739 5.931 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.540 2.833 7.964 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.422 2.155 6.575 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.812 1.078 7.853 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.044 2.469 8.199 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.218 0.703 8.060 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.140 1.582 6.949 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.446 0.822 4.358 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.321 1.202 3.311 1.00 16.06 C ATOM 1133 C LEU A 71 -11.280 2.277 3.718 1.00 18.09 C ATOM 1134 O LEU A 71 -12.006 2.235 4.705 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.068 -0.046 2.648 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.123 -1.095 2.197 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.936 -2.229 1.532 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.047 -0.581 1.208 1.00 19.57 C ATOM 0 H LEU A 71 -9.906 0.340 5.131 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.685 1.631 2.537 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.765 -0.474 3.369 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.659 0.297 1.798 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.583 -1.447 3.076 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.258 -3.012 1.193 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.638 -2.645 2.254 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.486 -1.831 0.679 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.392 -1.404 0.922 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.533 -0.178 0.319 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.458 0.202 1.686 1.00 19.57 H new