USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.34 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.505 X(o=-0.17,f=-0.018) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.117) USER MOD Single : A 1 MET N :NH3+ 174:sc= 2.38 (180deg=2.36) USER MOD Single : A 2 GLN : amide:sc= -0.0766 X(o=-0.077,f=-0.0017) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= 0.586 (180deg=-2.22!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.462 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0816 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.6 (180deg=1.39) USER MOD Single : A 29 LYS NZ :NH3+ -105:sc= 0.366 (180deg=-0.00946) USER MOD Single : A 31 GLN : amide:sc= -0.0135 X(o=-0.014,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.23 X(o=0.23,f=-0.24) USER MOD Single : A 41 GLN : amide:sc= 1.2 K(o=1.2,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.579 K(o=0.58,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot -42:sc= 0.372 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.0166 USER MOD Single : A 60 ASN : amide:sc=-0.00755 K(o=-0.0076,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 77:sc= 1.35 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.144 -7.061 -4.597 1.00 9.67 N ATOM 2 CA MET A 1 11.955 -7.453 -3.208 1.00 10.38 C ATOM 3 C MET A 1 10.517 -7.725 -2.846 1.00 9.62 C ATOM 4 O MET A 1 9.620 -7.055 -3.366 1.00 9.62 O ATOM 5 CB MET A 1 12.481 -6.310 -2.324 1.00 13.77 C ATOM 6 CG MET A 1 11.519 -5.056 -2.050 1.00 16.29 C ATOM 7 SD MET A 1 12.472 -3.677 -1.260 1.00 17.17 S ATOM 8 CE MET A 1 11.016 -2.645 -1.589 1.00 16.11 C ATOM 0 H1 MET A 1 13.137 -6.792 -4.750 1.00 9.67 H new ATOM 0 H2 MET A 1 11.902 -7.859 -5.219 1.00 9.67 H new ATOM 0 H3 MET A 1 11.529 -6.252 -4.816 1.00 9.67 H new ATOM 0 HA MET A 1 12.496 -8.387 -3.052 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.755 -6.736 -1.359 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.397 -5.933 -2.778 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.080 -4.714 -2.987 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.695 -5.356 -1.403 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.116 -1.696 -1.061 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.937 -2.458 -2.660 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.120 -3.160 -1.243 1.00 16.11 H new ATOM 20 N GLN A 2 10.215 -8.674 -1.910 1.00 9.27 N ATOM 21 CA GLN A 2 8.843 -8.894 -1.528 1.00 9.07 C ATOM 22 C GLN A 2 8.439 -7.926 -0.455 1.00 8.72 C ATOM 23 O GLN A 2 9.300 -7.535 0.336 1.00 8.22 O ATOM 24 CB GLN A 2 8.747 -10.241 -0.874 1.00 14.46 C ATOM 25 CG GLN A 2 9.114 -11.484 -1.727 1.00 17.01 C ATOM 26 CD GLN A 2 7.942 -12.109 -2.419 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.419 -13.178 -1.931 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.545 -11.593 -3.597 1.00 19.49 N ATOM 0 H GLN A 2 10.899 -9.265 -1.437 1.00 9.27 H new ATOM 0 HA GLN A 2 8.221 -8.794 -2.418 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.393 -10.234 0.004 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.725 -10.369 -0.517 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.853 -11.195 -2.474 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.584 -12.228 -1.084 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.982 -10.743 -3.955 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.808 -12.052 -4.132 1.00 19.49 H new ATOM 37 N ILE A 3 7.148 -7.549 -0.358 1.00 5.87 N ATOM 38 CA ILE A 3 6.542 -6.837 0.767 1.00 5.07 C ATOM 39 C ILE A 3 5.236 -7.535 1.125 1.00 4.01 C ATOM 40 O ILE A 3 4.659 -8.272 0.333 1.00 4.61 O ATOM 41 CB ILE A 3 6.319 -5.343 0.453 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.383 -5.216 -0.772 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.676 -4.570 0.284 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.916 -3.803 -1.086 1.00 10.83 C ATOM 0 H ILE A 3 6.476 -7.745 -1.099 1.00 5.87 H new ATOM 0 HA ILE A 3 7.221 -6.864 1.619 1.00 5.07 H new ATOM 0 HB ILE A 3 5.828 -4.863 1.300 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.899 -5.614 -1.646 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.507 -5.843 -0.606 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.473 -3.522 0.064 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.253 -4.642 1.206 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.245 -5.009 -0.535 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.266 -3.821 -1.961 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.367 -3.403 -0.233 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.780 -3.171 -1.289 1.00 10.83 H new ATOM 56 N PHE A 4 4.762 -7.230 2.346 1.00 4.55 N ATOM 57 CA PHE A 4 3.498 -7.660 2.924 1.00 4.68 C ATOM 58 C PHE A 4 2.552 -6.457 3.057 1.00 5.30 C ATOM 59 O PHE A 4 3.042 -5.388 3.469 1.00 5.58 O ATOM 60 CB PHE A 4 3.721 -8.438 4.209 1.00 4.83 C ATOM 61 CG PHE A 4 4.756 -9.504 4.036 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.524 -10.568 3.134 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.995 -9.604 4.759 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.417 -11.624 2.899 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.869 -10.652 4.519 1.00 10.61 C ATOM 66 CZ PHE A 4 6.636 -11.647 3.586 1.00 8.90 C ATOM 0 H PHE A 4 5.292 -6.640 2.987 1.00 4.55 H new ATOM 0 HA PHE A 4 3.000 -8.365 2.258 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.031 -7.754 4.999 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.782 -8.890 4.529 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.593 -10.568 2.587 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.247 -8.855 5.496 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.168 -12.407 2.199 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.783 -10.695 5.092 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.370 -12.416 3.394 1.00 8.90 H new ATOM 76 N VAL A 5 1.273 -6.634 2.824 1.00 4.44 N ATOM 77 CA VAL A 5 0.185 -5.751 3.107 1.00 3.87 C ATOM 78 C VAL A 5 -0.698 -6.496 3.986 1.00 4.93 C ATOM 79 O VAL A 5 -1.116 -7.630 3.779 1.00 6.84 O ATOM 80 CB VAL A 5 -0.603 -5.250 1.856 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.747 -4.342 2.323 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.388 -4.498 0.937 1.00 9.13 C ATOM 0 H VAL A 5 0.943 -7.494 2.385 1.00 4.44 H new ATOM 0 HA VAL A 5 0.582 -4.838 3.551 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.039 -6.078 1.297 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.305 -3.985 1.457 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.413 -4.904 2.978 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.337 -3.490 2.866 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.138 -4.137 0.053 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.815 -3.652 1.477 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.187 -5.174 0.633 1.00 9.13 H new ATOM 92 N LYS A 6 -1.101 -5.867 5.087 1.00 6.04 N ATOM 93 CA LYS A 6 -2.017 -6.444 6.020 1.00 6.12 C ATOM 94 C LYS A 6 -3.255 -5.677 6.126 1.00 6.57 C ATOM 95 O LYS A 6 -3.268 -4.457 6.427 1.00 5.76 O ATOM 96 CB LYS A 6 -1.316 -6.620 7.378 1.00 7.45 C ATOM 97 CG LYS A 6 -1.800 -7.790 8.200 1.00 11.12 C ATOM 98 CD LYS A 6 -0.858 -8.044 9.354 1.00 14.54 C ATOM 99 CE LYS A 6 -1.090 -9.391 10.086 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.217 -9.424 11.307 1.00 20.55 N ATOM 0 H LYS A 6 -0.787 -4.931 5.344 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.317 -7.426 5.655 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.246 -6.735 7.205 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.449 -5.708 7.959 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.803 -7.588 8.577 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.868 -8.680 7.574 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.167 -8.018 8.983 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.957 -7.232 10.074 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.138 -9.494 10.366 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.852 -10.226 9.427 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.360 -10.322 11.812 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.780 -9.341 11.023 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.466 -8.632 11.933 1.00 20.55 H new ATOM 114 N THR A 7 -4.390 -6.308 5.902 1.00 7.41 N ATOM 115 CA THR A 7 -5.662 -5.613 5.905 1.00 7.48 C ATOM 116 C THR A 7 -6.129 -5.360 7.288 1.00 8.75 C ATOM 117 O THR A 7 -5.548 -5.841 8.272 1.00 8.58 O ATOM 118 CB THR A 7 -6.763 -6.374 5.122 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.255 -7.481 5.903 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.272 -6.893 3.798 1.00 9.17 C ATOM 0 H THR A 7 -4.457 -7.308 5.714 1.00 7.41 H new ATOM 0 HA THR A 7 -5.487 -4.664 5.399 1.00 7.48 H new ATOM 0 HB THR A 7 -7.562 -5.658 4.930 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.951 -7.953 5.399 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.081 -7.418 3.290 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.937 -6.059 3.182 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.441 -7.579 3.962 1.00 9.17 H new ATOM 128 N LEU A 8 -7.163 -4.570 7.493 1.00 9.84 N ATOM 129 CA LEU A 8 -7.712 -4.261 8.824 1.00 14.15 C ATOM 130 C LEU A 8 -8.218 -5.447 9.518 1.00 17.37 C ATOM 131 O LEU A 8 -8.027 -5.580 10.729 1.00 17.01 O ATOM 132 CB LEU A 8 -8.916 -3.273 8.681 1.00 16.63 C ATOM 133 CG LEU A 8 -9.702 -2.782 9.923 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.773 -1.890 10.750 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.017 -2.037 9.510 1.00 18.59 C ATOM 0 H LEU A 8 -7.664 -4.109 6.733 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.892 -3.832 9.400 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.541 -2.386 8.170 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.637 -3.744 8.013 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.018 -3.634 10.526 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.304 -1.531 11.632 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.900 -2.463 11.061 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.453 -1.040 10.147 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.544 -1.706 10.405 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.767 -1.172 8.895 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.656 -2.714 8.942 1.00 18.59 H new ATOM 147 N THR A 9 -8.765 -6.458 8.839 1.00 18.33 N ATOM 148 CA THR A 9 -9.070 -7.765 9.445 1.00 19.24 C ATOM 149 C THR A 9 -7.909 -8.784 9.606 1.00 19.48 C ATOM 150 O THR A 9 -8.006 -9.840 10.267 1.00 23.14 O ATOM 151 CB THR A 9 -10.222 -8.514 8.764 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.075 -8.552 7.329 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.501 -7.666 9.042 1.00 19.70 C ATOM 0 H THR A 9 -9.011 -6.398 7.851 1.00 18.33 H new ATOM 0 HA THR A 9 -9.340 -7.424 10.444 1.00 19.24 H new ATOM 0 HB THR A 9 -10.255 -9.536 9.142 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.829 -9.039 6.936 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.364 -8.147 8.581 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.660 -7.589 10.118 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.374 -6.668 8.622 1.00 19.70 H new ATOM 161 N GLY A 10 -6.714 -8.366 9.184 1.00 19.43 N ATOM 162 CA GLY A 10 -5.411 -8.954 9.476 1.00 18.74 C ATOM 163 C GLY A 10 -4.835 -9.891 8.434 1.00 17.62 C ATOM 164 O GLY A 10 -3.772 -10.509 8.719 1.00 19.74 O ATOM 0 H GLY A 10 -6.629 -7.545 8.584 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.700 -8.143 9.634 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.487 -9.498 10.417 1.00 18.74 H new ATOM 168 N LYS A 11 -5.530 -10.058 7.304 1.00 13.56 N ATOM 169 CA LYS A 11 -5.116 -10.835 6.158 1.00 11.91 C ATOM 170 C LYS A 11 -3.882 -10.400 5.444 1.00 10.18 C ATOM 171 O LYS A 11 -3.847 -9.275 5.025 1.00 9.10 O ATOM 172 CB LYS A 11 -6.278 -10.819 5.094 1.00 13.43 C ATOM 173 CG LYS A 11 -6.043 -11.765 3.896 1.00 16.69 C ATOM 174 CD LYS A 11 -7.199 -11.800 2.912 1.00 17.92 C ATOM 175 CE LYS A 11 -7.002 -10.694 1.764 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.123 -10.720 0.842 1.00 21.93 N ATOM 0 H LYS A 11 -6.444 -9.626 7.169 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.887 -11.814 6.579 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.211 -11.096 5.585 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.403 -9.802 4.722 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.139 -11.455 3.371 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.864 -12.773 4.270 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.270 -12.790 2.462 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.137 -11.622 3.438 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.915 -9.705 2.214 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.074 -10.882 1.224 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.795 -11.032 -0.094 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.846 -11.380 1.193 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.532 -9.767 0.765 1.00 21.93 H new ATOM 190 N THR A 12 -2.863 -11.332 5.277 1.00 9.63 N ATOM 191 CA THR A 12 -1.615 -11.011 4.680 1.00 9.85 C ATOM 192 C THR A 12 -1.747 -11.124 3.174 1.00 11.66 C ATOM 193 O THR A 12 -2.101 -12.185 2.658 1.00 12.33 O ATOM 194 CB THR A 12 -0.447 -11.848 5.228 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.411 -11.738 6.620 1.00 10.91 O ATOM 196 CG2 THR A 12 0.764 -11.139 4.818 1.00 9.63 C ATOM 0 H THR A 12 -2.941 -12.306 5.570 1.00 9.63 H new ATOM 0 HA THR A 12 -1.364 -9.984 4.944 1.00 9.85 H new ATOM 0 HB THR A 12 -0.535 -12.881 4.892 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.332 -12.272 6.971 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.641 -11.680 5.175 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.796 -11.073 3.730 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.759 -10.135 5.242 1.00 9.63 H new ATOM 204 N ILE A 13 -1.447 -10.030 2.412 1.00 10.42 N ATOM 205 CA ILE A 13 -1.207 -10.119 1.008 1.00 11.84 C ATOM 206 C ILE A 13 0.300 -9.960 0.770 1.00 10.55 C ATOM 207 O ILE A 13 0.899 -9.060 1.339 1.00 11.92 O ATOM 208 CB ILE A 13 -1.909 -8.919 0.231 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.323 -8.622 0.715 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.920 -9.254 -1.294 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.074 -7.529 -0.066 1.00 16.46 C ATOM 0 H ILE A 13 -1.374 -9.084 2.787 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.595 -11.074 0.654 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.332 -8.016 0.431 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.905 -9.542 0.669 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.275 -8.327 1.763 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.398 -8.442 -1.842 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.896 -9.377 -1.647 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.474 -10.178 -1.460 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.069 -7.396 0.359 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.523 -6.591 0.000 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.163 -7.825 -1.111 1.00 16.46 H new ATOM 223 N THR A 14 0.893 -10.795 -0.079 1.00 9.39 N ATOM 224 CA THR A 14 2.272 -10.616 -0.422 1.00 9.63 C ATOM 225 C THR A 14 2.340 -10.111 -1.793 1.00 11.20 C ATOM 226 O THR A 14 1.625 -10.599 -2.674 1.00 11.63 O ATOM 227 CB THR A 14 3.017 -11.964 -0.357 1.00 10.38 C ATOM 228 OG1 THR A 14 2.772 -12.501 0.933 1.00 16.30 O ATOM 229 CG2 THR A 14 4.521 -11.775 -0.582 1.00 11.66 C ATOM 0 H THR A 14 0.435 -11.588 -0.529 1.00 9.39 H new ATOM 0 HA THR A 14 2.734 -9.919 0.277 1.00 9.63 H new ATOM 0 HB THR A 14 2.664 -12.636 -1.139 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.436 -12.153 1.564 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.021 -12.742 -0.531 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.689 -11.331 -1.563 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.924 -11.117 0.188 1.00 11.66 H new ATOM 237 N LEU A 15 3.168 -9.083 -2.012 1.00 8.29 N ATOM 238 CA LEU A 15 3.441 -8.458 -3.287 1.00 9.03 C ATOM 239 C LEU A 15 4.954 -8.336 -3.484 1.00 8.59 C ATOM 240 O LEU A 15 5.715 -8.409 -2.541 1.00 7.79 O ATOM 241 CB LEU A 15 2.751 -7.087 -3.356 1.00 11.08 C ATOM 242 CG LEU A 15 1.207 -7.137 -3.112 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.768 -5.762 -2.554 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.425 -7.659 -4.329 1.00 15.27 C ATOM 0 H LEU A 15 3.690 -8.648 -1.251 1.00 8.29 H new ATOM 0 HA LEU A 15 3.042 -9.073 -4.094 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.204 -6.427 -2.616 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.939 -6.646 -4.335 1.00 11.08 H new ATOM 0 HG LEU A 15 0.956 -7.883 -2.358 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.307 -5.769 -2.374 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.291 -5.565 -1.618 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.010 -4.982 -3.276 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.640 -7.671 -4.099 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.605 -7.007 -5.184 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.756 -8.670 -4.568 1.00 15.27 H new ATOM 256 N GLU A 16 5.400 -8.273 -4.758 1.00 11.04 N ATOM 257 CA GLU A 16 6.787 -8.165 -5.266 1.00 11.50 C ATOM 258 C GLU A 16 7.019 -6.820 -5.915 1.00 10.13 C ATOM 259 O GLU A 16 6.278 -6.396 -6.805 1.00 9.83 O ATOM 260 CB GLU A 16 7.082 -9.293 -6.235 1.00 17.22 C ATOM 261 CG GLU A 16 8.449 -9.350 -6.984 1.00 23.33 C ATOM 262 CD GLU A 16 9.632 -9.558 -6.085 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.603 -10.606 -5.357 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.560 -8.695 -6.013 1.00 28.86 O ATOM 0 H GLU A 16 4.735 -8.299 -5.531 1.00 11.04 H new ATOM 0 HA GLU A 16 7.471 -8.250 -4.422 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.977 -10.228 -5.684 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.299 -9.280 -6.993 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.416 -10.157 -7.716 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.586 -8.422 -7.538 1.00 23.33 H new ATOM 271 N VAL A 17 8.011 -5.995 -5.415 1.00 8.99 N ATOM 272 CA VAL A 17 8.139 -4.583 -5.728 1.00 8.85 C ATOM 273 C VAL A 17 9.563 -4.239 -5.906 1.00 8.04 C ATOM 274 O VAL A 17 10.454 -4.972 -5.397 1.00 8.99 O ATOM 275 CB VAL A 17 7.512 -3.767 -4.609 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.940 -3.739 -4.698 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.950 -4.269 -3.243 1.00 10.54 C ATOM 0 H VAL A 17 8.734 -6.331 -4.779 1.00 8.99 H new ATOM 0 HA VAL A 17 7.619 -4.356 -6.659 1.00 8.85 H new ATOM 0 HB VAL A 17 7.870 -2.745 -4.737 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.540 -3.144 -3.877 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.637 -3.298 -5.648 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.554 -4.756 -4.631 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.483 -3.663 -2.466 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.647 -5.309 -3.123 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.034 -4.195 -3.159 1.00 10.54 H new ATOM 287 N GLU A 18 9.870 -3.166 -6.583 1.00 7.29 N ATOM 288 CA GLU A 18 11.260 -2.664 -6.445 1.00 7.08 C ATOM 289 C GLU A 18 11.180 -1.338 -5.703 1.00 6.45 C ATOM 290 O GLU A 18 10.127 -0.704 -5.811 1.00 5.28 O ATOM 291 CB GLU A 18 12.014 -2.382 -7.704 1.00 10.28 C ATOM 292 CG GLU A 18 12.206 -3.609 -8.641 1.00 12.65 C ATOM 293 CD GLU A 18 13.152 -4.649 -8.079 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.347 -4.391 -7.843 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.714 -5.818 -7.857 1.00 18.17 O ATOM 0 H GLU A 18 9.250 -2.638 -7.197 1.00 7.29 H new ATOM 0 HA GLU A 18 11.800 -3.469 -5.946 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.492 -1.600 -8.256 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.995 -1.986 -7.442 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.237 -4.072 -8.826 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.584 -3.266 -9.604 1.00 12.65 H new ATOM 302 N PRO A 19 12.207 -0.804 -5.013 1.00 7.24 N ATOM 303 CA PRO A 19 12.028 0.445 -4.269 1.00 7.07 C ATOM 304 C PRO A 19 11.587 1.635 -5.061 1.00 6.65 C ATOM 305 O PRO A 19 11.152 2.633 -4.489 1.00 6.37 O ATOM 306 CB PRO A 19 13.466 0.621 -3.741 1.00 7.61 C ATOM 307 CG PRO A 19 13.991 -0.822 -3.500 1.00 8.16 C ATOM 308 CD PRO A 19 13.337 -1.624 -4.572 1.00 7.49 C ATOM 0 HA PRO A 19 11.225 0.385 -3.535 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.088 1.151 -4.462 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.479 1.204 -2.820 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.078 -0.869 -3.572 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.721 -1.185 -2.508 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.026 -1.824 -5.393 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.002 -2.590 -4.195 1.00 7.49 H new ATOM 316 N SER A 20 11.717 1.608 -6.425 1.00 6.80 N ATOM 317 CA SER A 20 11.383 2.628 -7.440 1.00 6.28 C ATOM 318 C SER A 20 9.933 2.442 -7.793 1.00 8.45 C ATOM 319 O SER A 20 9.364 3.311 -8.473 1.00 7.26 O ATOM 320 CB SER A 20 12.271 2.415 -8.671 1.00 8.57 C ATOM 321 OG SER A 20 12.267 1.024 -8.973 1.00 11.13 O ATOM 0 H SER A 20 12.100 0.777 -6.875 1.00 6.80 H new ATOM 0 HA SER A 20 11.551 3.639 -7.068 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.896 2.991 -9.517 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.286 2.761 -8.475 1.00 8.57 H new ATOM 0 HG SER A 20 12.827 0.858 -9.760 1.00 11.13 H new ATOM 327 N ASP A 21 9.191 1.439 -7.362 1.00 7.50 N ATOM 328 CA ASP A 21 7.759 1.411 -7.494 1.00 7.70 C ATOM 329 C ASP A 21 7.139 2.450 -6.513 1.00 7.08 C ATOM 330 O ASP A 21 7.671 2.856 -5.488 1.00 8.11 O ATOM 331 CB ASP A 21 7.277 0.000 -7.134 1.00 11.00 C ATOM 332 CG ASP A 21 7.320 -0.885 -8.355 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.735 -0.315 -9.343 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.840 -2.005 -8.395 1.00 14.36 O ATOM 0 H ASP A 21 9.578 0.613 -6.905 1.00 7.50 H new ATOM 0 HA ASP A 21 7.458 1.659 -8.512 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.906 -0.419 -6.348 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.261 0.043 -6.741 1.00 11.00 H new ATOM 339 N THR A 22 5.985 2.948 -6.959 1.00 5.37 N ATOM 340 CA THR A 22 5.324 4.091 -6.360 1.00 6.01 C ATOM 341 C THR A 22 4.380 3.510 -5.360 1.00 8.01 C ATOM 342 O THR A 22 4.124 2.328 -5.414 1.00 8.11 O ATOM 343 CB THR A 22 4.621 5.034 -7.328 1.00 8.92 C ATOM 344 OG1 THR A 22 3.498 4.450 -8.010 1.00 10.22 O ATOM 345 CG2 THR A 22 5.690 5.444 -8.316 1.00 9.65 C ATOM 0 H THR A 22 5.483 2.559 -7.757 1.00 5.37 H new ATOM 0 HA THR A 22 6.073 4.747 -5.915 1.00 6.01 H new ATOM 0 HB THR A 22 4.190 5.873 -6.781 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.099 5.114 -8.611 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.264 6.127 -9.051 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.503 5.942 -7.787 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.075 4.559 -8.823 1.00 9.65 H new ATOM 353 N ILE A 23 3.832 4.324 -4.427 1.00 8.32 N ATOM 354 CA ILE A 23 2.657 3.984 -3.563 1.00 9.92 C ATOM 355 C ILE A 23 1.495 3.546 -4.396 1.00 10.01 C ATOM 356 O ILE A 23 0.908 2.514 -4.145 1.00 8.71 O ATOM 357 CB ILE A 23 2.317 5.075 -2.627 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.570 5.441 -1.796 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.133 4.593 -1.718 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.519 4.368 -1.238 1.00 12.30 C ATOM 0 H ILE A 23 4.197 5.259 -4.243 1.00 8.32 H new ATOM 0 HA ILE A 23 2.937 3.139 -2.934 1.00 9.92 H new ATOM 0 HB ILE A 23 2.001 5.971 -3.162 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.175 6.105 -2.414 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.223 6.027 -0.945 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.866 5.385 -1.018 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.271 4.353 -2.340 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.438 3.706 -1.163 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.328 4.848 -0.688 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.968 3.707 -0.569 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.935 3.786 -2.061 1.00 12.30 H new ATOM 372 N GLU A 24 1.150 4.272 -5.444 1.00 9.54 N ATOM 373 CA GLU A 24 0.137 3.799 -6.388 1.00 11.81 C ATOM 374 C GLU A 24 0.406 2.502 -7.079 1.00 11.14 C ATOM 375 O GLU A 24 -0.538 1.728 -7.341 1.00 10.62 O ATOM 376 CB GLU A 24 -0.013 4.919 -7.458 1.00 19.24 C ATOM 377 CG GLU A 24 -1.176 4.699 -8.431 1.00 27.76 C ATOM 378 CD GLU A 24 -1.655 5.965 -9.085 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.779 7.019 -8.361 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.889 6.001 -10.305 1.00 36.51 O ATOM 0 H GLU A 24 1.548 5.184 -5.667 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.761 3.597 -5.804 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.152 5.874 -6.952 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.914 4.991 -8.026 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.866 3.995 -9.203 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.006 4.239 -7.895 1.00 27.76 H new ATOM 387 N ASN A 25 1.620 2.151 -7.507 1.00 9.43 N ATOM 388 CA ASN A 25 2.018 0.866 -8.137 1.00 10.96 C ATOM 389 C ASN A 25 1.743 -0.311 -7.155 1.00 9.68 C ATOM 390 O ASN A 25 1.342 -1.400 -7.639 1.00 9.33 O ATOM 391 CB ASN A 25 3.501 0.758 -8.727 1.00 16.78 C ATOM 392 CG ASN A 25 3.772 1.820 -9.763 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.935 2.456 -10.371 1.00 25.66 O ATOM 394 ND2 ASN A 25 5.091 2.040 -9.976 1.00 24.70 N ATOM 0 H ASN A 25 2.411 2.790 -7.423 1.00 9.43 H new ATOM 0 HA ASN A 25 1.392 0.812 -9.027 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.222 0.850 -7.915 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.645 -0.227 -9.171 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.388 2.744 -10.651 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.788 1.501 -9.461 1.00 24.70 H new ATOM 401 N VAL A 26 1.794 -0.071 -5.828 1.00 6.52 N ATOM 402 CA VAL A 26 1.350 -0.988 -4.782 1.00 5.53 C ATOM 403 C VAL A 26 -0.174 -1.067 -4.742 1.00 4.42 C ATOM 404 O VAL A 26 -0.820 -2.111 -4.705 1.00 3.40 O ATOM 405 CB VAL A 26 2.009 -0.833 -3.406 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.606 -1.969 -2.474 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.484 -0.933 -3.605 1.00 8.12 C ATOM 0 H VAL A 26 2.161 0.803 -5.452 1.00 6.52 H new ATOM 0 HA VAL A 26 1.731 -1.964 -5.081 1.00 5.53 H new ATOM 0 HB VAL A 26 1.702 0.118 -2.970 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.088 -1.834 -1.506 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.524 -1.967 -2.344 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.918 -2.921 -2.904 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.989 -0.827 -2.645 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.728 -1.903 -4.038 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.815 -0.142 -4.278 1.00 8.12 H new ATOM 417 N LYS A 27 -0.848 0.078 -4.977 1.00 2.64 N ATOM 418 CA LYS A 27 -2.294 0.062 -5.047 1.00 4.14 C ATOM 419 C LYS A 27 -2.908 -0.583 -6.320 1.00 5.58 C ATOM 420 O LYS A 27 -4.000 -1.129 -6.295 1.00 4.11 O ATOM 421 CB LYS A 27 -3.004 1.402 -4.960 1.00 3.97 C ATOM 422 CG LYS A 27 -2.667 2.240 -3.692 1.00 7.45 C ATOM 423 CD LYS A 27 -3.287 3.609 -3.660 1.00 9.02 C ATOM 424 CE LYS A 27 -2.927 4.475 -2.443 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.721 5.708 -2.456 1.00 15.47 N ATOM 0 H LYS A 27 -0.416 0.991 -5.116 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.465 -0.537 -4.153 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.752 1.989 -5.843 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.080 1.229 -4.989 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.994 1.688 -2.811 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.584 2.345 -3.620 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.991 4.143 -4.563 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.371 3.498 -3.696 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.114 3.921 -1.523 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.864 4.716 -2.459 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.669 6.164 -1.523 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.346 6.355 -3.179 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.712 5.481 -2.675 1.00 15.47 H new ATOM 439 N ALA A 28 -2.172 -0.573 -7.455 1.00 6.61 N ATOM 440 CA ALA A 28 -2.575 -1.240 -8.628 1.00 7.74 C ATOM 441 C ALA A 28 -2.443 -2.777 -8.430 1.00 9.17 C ATOM 442 O ALA A 28 -3.268 -3.580 -8.860 1.00 11.45 O ATOM 443 CB ALA A 28 -1.507 -0.938 -9.761 1.00 7.68 C ATOM 0 H ALA A 28 -1.280 -0.086 -7.542 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.591 -0.925 -8.867 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.799 -1.445 -10.681 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.459 0.136 -9.939 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.528 -1.297 -9.443 1.00 7.68 H new ATOM 449 N LYS A 29 -1.420 -3.162 -7.753 1.00 8.96 N ATOM 450 CA LYS A 29 -1.187 -4.538 -7.286 1.00 7.90 C ATOM 451 C LYS A 29 -2.198 -4.986 -6.255 1.00 6.92 C ATOM 452 O LYS A 29 -2.706 -6.079 -6.330 1.00 6.87 O ATOM 453 CB LYS A 29 0.204 -4.613 -6.643 1.00 10.28 C ATOM 454 CG LYS A 29 1.265 -4.640 -7.719 1.00 14.94 C ATOM 455 CD LYS A 29 2.697 -4.517 -7.111 1.00 19.69 C ATOM 456 CE LYS A 29 3.782 -4.690 -8.129 1.00 22.63 C ATOM 457 NZ LYS A 29 3.900 -6.107 -8.601 1.00 24.98 N ATOM 0 H LYS A 29 -0.674 -2.521 -7.483 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.275 -5.191 -8.154 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.359 -3.755 -5.988 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.280 -5.506 -6.022 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.187 -5.568 -8.285 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.095 -3.823 -8.420 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.802 -3.541 -6.638 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.819 -5.265 -6.328 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.583 -4.041 -8.982 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.733 -4.372 -7.701 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.739 -6.547 -8.172 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.050 -6.638 -8.323 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.993 -6.121 -9.637 1.00 24.98 H new ATOM 471 N ILE A 30 -2.587 -4.178 -5.257 1.00 4.57 N ATOM 472 CA ILE A 30 -3.766 -4.393 -4.429 1.00 5.58 C ATOM 473 C ILE A 30 -5.083 -4.320 -5.169 1.00 7.26 C ATOM 474 O ILE A 30 -5.951 -5.069 -4.747 1.00 9.46 O ATOM 475 CB ILE A 30 -3.728 -3.549 -3.218 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.455 -3.875 -2.356 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.022 -3.504 -2.378 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.086 -2.705 -1.384 1.00 2.00 C ATOM 0 H ILE A 30 -2.070 -3.336 -5.003 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.718 -5.433 -4.107 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.654 -2.527 -3.590 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.631 -4.783 -1.779 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.612 -4.076 -3.017 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.874 -2.854 -1.516 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.838 -3.118 -2.988 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.269 -4.509 -2.036 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.200 -2.975 -0.809 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.883 -1.803 -1.961 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.918 -2.521 -0.704 1.00 2.00 H new ATOM 490 N GLN A 31 -5.294 -3.571 -6.215 1.00 7.06 N ATOM 491 CA GLN A 31 -6.578 -3.518 -6.841 1.00 8.67 C ATOM 492 C GLN A 31 -6.876 -4.823 -7.643 1.00 10.90 C ATOM 493 O GLN A 31 -7.970 -5.321 -7.657 1.00 9.63 O ATOM 494 CB GLN A 31 -6.582 -2.302 -7.834 1.00 9.12 C ATOM 495 CG GLN A 31 -7.760 -2.219 -8.815 1.00 10.76 C ATOM 496 CD GLN A 31 -7.344 -1.285 -9.985 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.318 -1.420 -10.635 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.207 -0.288 -10.260 1.00 14.76 N ATOM 0 H GLN A 31 -4.583 -2.985 -6.653 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.343 -3.411 -6.072 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.562 -1.383 -7.248 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.659 -2.331 -8.412 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.014 -3.210 -9.190 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.647 -1.831 -8.314 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.060 -0.186 -9.710 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.007 0.365 -11.018 1.00 14.76 H new ATOM 507 N ASP A 32 -5.867 -5.368 -8.264 1.00 10.93 N ATOM 508 CA ASP A 32 -5.708 -6.692 -8.864 1.00 14.01 C ATOM 509 C ASP A 32 -6.020 -7.809 -7.940 1.00 14.04 C ATOM 510 O ASP A 32 -6.755 -8.730 -8.302 1.00 13.39 O ATOM 511 CB ASP A 32 -4.297 -6.814 -9.496 1.00 18.01 C ATOM 512 CG ASP A 32 -4.293 -7.784 -10.663 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.886 -7.446 -11.737 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.959 -8.978 -10.441 1.00 25.17 O ATOM 0 H ASP A 32 -5.010 -4.828 -8.385 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.453 -6.785 -9.654 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.963 -5.833 -9.835 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.586 -7.149 -8.740 1.00 18.01 H new ATOM 519 N LYS A 33 -5.523 -7.710 -6.633 1.00 14.22 N ATOM 520 CA LYS A 33 -5.789 -8.769 -5.647 1.00 14.00 C ATOM 521 C LYS A 33 -7.240 -8.673 -5.130 1.00 12.37 C ATOM 522 O LYS A 33 -7.956 -9.620 -4.865 1.00 12.17 O ATOM 523 CB LYS A 33 -4.804 -8.797 -4.409 1.00 18.62 C ATOM 524 CG LYS A 33 -3.264 -9.062 -4.734 1.00 24.00 C ATOM 525 CD LYS A 33 -2.981 -10.407 -5.438 1.00 27.61 C ATOM 526 CE LYS A 33 -1.869 -10.418 -6.408 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.631 -11.814 -6.935 1.00 30.06 N ATOM 0 H LYS A 33 -4.965 -6.930 -6.285 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.623 -9.699 -6.191 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.884 -7.843 -3.887 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.145 -9.568 -3.718 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.894 -8.252 -5.363 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.698 -9.027 -3.803 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.775 -11.156 -4.674 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.888 -10.720 -5.955 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.096 -9.746 -7.236 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.962 -10.044 -5.933 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.845 -11.799 -7.616 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.393 -12.447 -6.145 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.491 -12.158 -7.408 1.00 30.06 H new ATOM 541 N GLU A 34 -7.659 -7.437 -4.815 1.00 10.11 N ATOM 542 CA GLU A 34 -8.729 -7.229 -3.881 1.00 10.07 C ATOM 543 C GLU A 34 -9.867 -6.426 -4.494 1.00 9.32 C ATOM 544 O GLU A 34 -10.941 -6.545 -3.902 1.00 11.61 O ATOM 545 CB GLU A 34 -8.260 -6.444 -2.592 1.00 14.77 C ATOM 546 CG GLU A 34 -7.223 -7.184 -1.737 1.00 18.75 C ATOM 547 CD GLU A 34 -7.651 -8.511 -1.147 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.703 -8.582 -0.431 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.057 -9.577 -1.502 1.00 25.19 O ATOM 0 H GLU A 34 -7.262 -6.581 -5.203 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.064 -8.230 -3.610 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.842 -5.485 -2.898 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.133 -6.229 -1.976 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.336 -7.353 -2.348 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.926 -6.528 -0.919 1.00 18.75 H new ATOM 556 N GLY A 35 -9.779 -5.724 -5.646 1.00 7.22 N ATOM 557 CA GLY A 35 -10.952 -5.103 -6.249 1.00 6.29 C ATOM 558 C GLY A 35 -11.159 -3.632 -5.856 1.00 6.93 C ATOM 559 O GLY A 35 -12.209 -3.033 -6.095 1.00 7.41 O ATOM 0 H GLY A 35 -8.911 -5.581 -6.163 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.867 -5.169 -7.334 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.837 -5.672 -5.964 1.00 6.29 H new ATOM 563 N ILE A 36 -10.176 -3.014 -5.215 1.00 5.86 N ATOM 564 CA ILE A 36 -10.410 -1.767 -4.574 1.00 6.07 C ATOM 565 C ILE A 36 -9.898 -0.560 -5.456 1.00 6.36 C ATOM 566 O ILE A 36 -8.689 -0.551 -5.789 1.00 6.18 O ATOM 567 CB ILE A 36 -9.713 -1.647 -3.245 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.931 -2.920 -2.404 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.094 -0.338 -2.554 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.061 -3.077 -1.176 1.00 9.49 C ATOM 0 H ILE A 36 -9.223 -3.368 -5.136 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.490 -1.729 -4.431 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.635 -1.585 -3.390 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.974 -2.945 -2.088 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.772 -3.785 -3.048 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.580 -0.270 -1.595 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.803 0.503 -3.183 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.171 -0.313 -2.391 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.310 -4.010 -0.671 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.012 -3.093 -1.473 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.233 -2.241 -0.499 1.00 9.49 H new ATOM 582 N PRO A 37 -10.688 0.450 -5.876 1.00 8.65 N ATOM 583 CA PRO A 37 -10.169 1.686 -6.450 1.00 9.18 C ATOM 584 C PRO A 37 -8.966 2.373 -5.674 1.00 9.85 C ATOM 585 O PRO A 37 -9.139 2.503 -4.445 1.00 8.51 O ATOM 586 CB PRO A 37 -11.358 2.673 -6.351 1.00 11.42 C ATOM 587 CG PRO A 37 -12.522 1.710 -6.611 1.00 9.27 C ATOM 588 CD PRO A 37 -12.145 0.521 -5.767 1.00 8.33 C ATOM 0 HA PRO A 37 -9.785 1.453 -7.443 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.423 3.151 -5.374 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.302 3.470 -7.093 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.479 2.137 -6.309 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.607 1.450 -7.666 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.461 0.651 -4.732 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.616 -0.392 -6.132 1.00 8.33 H new ATOM 596 N PRO A 38 -7.855 2.847 -6.268 1.00 8.71 N ATOM 597 CA PRO A 38 -6.740 3.411 -5.461 1.00 9.08 C ATOM 598 C PRO A 38 -7.094 4.598 -4.506 1.00 9.28 C ATOM 599 O PRO A 38 -6.488 4.702 -3.398 1.00 6.50 O ATOM 600 CB PRO A 38 -5.783 3.849 -6.606 1.00 10.31 C ATOM 601 CG PRO A 38 -5.916 2.726 -7.620 1.00 10.81 C ATOM 602 CD PRO A 38 -7.403 2.436 -7.607 1.00 12.00 C ATOM 0 HA PRO A 38 -6.350 2.695 -4.738 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.075 4.810 -7.029 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.757 3.954 -6.254 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.572 3.031 -8.608 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.331 1.852 -7.334 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.921 2.993 -8.388 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.601 1.379 -7.784 1.00 12.00 H new ATOM 610 N ASP A 39 -8.080 5.389 -4.906 1.00 11.20 N ATOM 611 CA ASP A 39 -8.697 6.441 -4.157 1.00 14.96 C ATOM 612 C ASP A 39 -9.444 6.057 -2.940 1.00 13.99 C ATOM 613 O ASP A 39 -9.336 6.690 -1.919 1.00 13.75 O ATOM 614 CB ASP A 39 -9.634 7.365 -4.935 1.00 24.16 C ATOM 615 CG ASP A 39 -8.890 8.002 -6.137 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.816 8.646 -6.009 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.469 7.980 -7.246 1.00 34.22 O ATOM 0 H ASP A 39 -8.490 5.293 -5.835 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.781 6.961 -3.878 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.497 6.802 -5.290 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.012 8.148 -4.277 1.00 24.16 H new ATOM 622 N GLN A 40 -10.064 4.882 -2.962 1.00 11.60 N ATOM 623 CA GLN A 40 -10.544 4.213 -1.777 1.00 10.76 C ATOM 624 C GLN A 40 -9.501 3.423 -1.003 1.00 8.01 C ATOM 625 O GLN A 40 -9.812 2.977 0.106 1.00 8.96 O ATOM 626 CB GLN A 40 -11.625 3.214 -2.101 1.00 11.14 C ATOM 627 CG GLN A 40 -12.945 3.934 -2.699 1.00 14.85 C ATOM 628 CD GLN A 40 -14.114 2.954 -2.614 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.465 2.106 -3.455 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.778 3.110 -1.418 1.00 18.16 N ATOM 0 H GLN A 40 -10.246 4.366 -3.823 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.893 5.046 -1.166 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.247 2.490 -2.823 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.889 2.659 -1.201 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.169 4.840 -2.137 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.777 4.234 -3.733 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.466 3.814 -0.749 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.582 2.521 -1.201 1.00 18.16 H new ATOM 639 N GLN A 41 -8.223 3.278 -1.499 1.00 6.52 N ATOM 640 CA GLN A 41 -7.149 2.626 -0.774 1.00 3.87 C ATOM 641 C GLN A 41 -6.355 3.527 0.094 1.00 4.79 C ATOM 642 O GLN A 41 -5.646 4.408 -0.336 1.00 6.34 O ATOM 643 CB GLN A 41 -6.157 1.885 -1.686 1.00 4.20 C ATOM 644 CG GLN A 41 -6.916 0.771 -2.542 1.00 3.20 C ATOM 645 CD GLN A 41 -5.869 -0.141 -3.249 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.784 -0.291 -2.756 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.310 -0.734 -4.367 1.00 7.13 N ATOM 0 H GLN A 41 -7.943 3.622 -2.417 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.692 1.917 -0.149 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.666 2.594 -2.353 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.376 1.421 -1.084 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.557 0.173 -1.894 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.562 1.243 -3.282 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.252 -0.542 -4.709 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.704 -1.377 -4.876 1.00 7.13 H new ATOM 656 N ARG A 42 -6.516 3.298 1.415 1.00 5.73 N ATOM 657 CA ARG A 42 -5.690 4.040 2.392 1.00 6.97 C ATOM 658 C ARG A 42 -4.594 3.132 2.825 1.00 7.15 C ATOM 659 O ARG A 42 -4.817 2.153 3.498 1.00 7.33 O ATOM 660 CB ARG A 42 -6.665 4.437 3.504 1.00 13.23 C ATOM 661 CG ARG A 42 -6.152 5.604 4.263 1.00 21.27 C ATOM 662 CD ARG A 42 -6.996 5.809 5.496 1.00 26.14 C ATOM 663 NE ARG A 42 -6.542 7.141 6.123 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.157 7.642 7.182 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.935 6.866 7.979 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.056 8.931 7.526 1.00 36.39 N ATOM 0 H ARG A 42 -7.179 2.636 1.817 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.206 4.941 2.015 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.637 4.677 3.073 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.815 3.595 4.180 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.112 5.440 4.544 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.177 6.497 3.639 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.055 5.842 5.240 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.864 4.985 6.198 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.755 7.645 5.715 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.055 5.876 7.766 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.400 7.273 8.790 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.489 9.566 6.964 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.546 9.279 8.350 1.00 36.39 H new ATOM 680 N LEU A 43 -3.340 3.426 2.608 1.00 4.65 N ATOM 681 CA LEU A 43 -2.201 2.597 2.969 1.00 3.51 C ATOM 682 C LEU A 43 -1.530 3.467 4.089 1.00 5.56 C ATOM 683 O LEU A 43 -1.227 4.691 3.960 1.00 4.19 O ATOM 684 CB LEU A 43 -1.230 2.328 1.783 1.00 3.74 C ATOM 685 CG LEU A 43 -1.868 1.601 0.601 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.853 1.440 -0.580 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.455 0.231 1.017 1.00 6.41 C ATOM 0 H LEU A 43 -3.062 4.294 2.151 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.484 1.592 3.282 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.828 3.279 1.435 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.387 1.739 2.145 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.696 2.219 0.253 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.336 0.919 -1.407 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.524 2.424 -0.914 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.009 0.865 -0.243 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.899 -0.254 0.148 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.660 -0.399 1.417 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.219 0.379 1.780 1.00 6.41 H new ATOM 699 N ILE A 44 -1.284 2.768 5.285 1.00 4.58 N ATOM 700 CA ILE A 44 -0.599 3.252 6.432 1.00 5.55 C ATOM 701 C ILE A 44 0.669 2.411 6.518 1.00 5.46 C ATOM 702 O ILE A 44 0.682 1.199 6.568 1.00 6.04 O ATOM 703 CB ILE A 44 -1.465 3.047 7.635 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.896 3.603 7.462 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.701 3.714 8.823 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.965 5.077 7.219 1.00 13.90 C ATOM 0 H ILE A 44 -1.603 1.807 5.411 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.363 4.315 6.377 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.628 1.984 7.814 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.374 3.088 6.629 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.474 3.368 8.356 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.281 3.600 9.739 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.270 3.234 8.947 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.557 4.774 8.614 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.006 5.379 7.110 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.520 5.606 8.062 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.419 5.322 6.308 1.00 13.90 H new ATOM 718 N PHE A 45 1.817 3.092 6.723 1.00 6.75 N ATOM 719 CA PHE A 45 3.043 2.492 7.162 1.00 4.70 C ATOM 720 C PHE A 45 3.393 3.126 8.451 1.00 6.34 C ATOM 721 O PHE A 45 3.719 4.261 8.593 1.00 5.45 O ATOM 722 CB PHE A 45 4.161 2.772 6.075 1.00 5.51 C ATOM 723 CG PHE A 45 5.494 2.067 6.329 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.519 0.718 6.409 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.679 2.814 6.318 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.753 0.034 6.562 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.918 2.194 6.461 1.00 6.64 C ATOM 728 CZ PHE A 45 7.965 0.764 6.557 1.00 6.84 C ATOM 0 H PHE A 45 1.893 4.099 6.577 1.00 6.75 H new ATOM 0 HA PHE A 45 2.951 1.413 7.289 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.784 2.465 5.099 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.338 3.846 6.025 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.597 0.159 6.356 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.631 3.886 6.197 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.767 -1.039 6.682 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.825 2.779 6.499 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.913 0.251 6.625 1.00 6.84 H new ATOM 738 N ALA A 46 3.182 2.344 9.562 1.00 6.53 N ATOM 739 CA ALA A 46 3.450 2.650 10.927 1.00 7.15 C ATOM 740 C ALA A 46 2.793 3.921 11.476 1.00 9.00 C ATOM 741 O ALA A 46 3.429 4.870 11.966 1.00 11.15 O ATOM 742 CB ALA A 46 4.983 2.675 11.268 1.00 8.99 C ATOM 0 H ALA A 46 2.783 1.410 9.467 1.00 6.53 H new ATOM 0 HA ALA A 46 2.973 1.812 11.436 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.117 2.914 12.323 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.418 1.698 11.059 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.479 3.431 10.659 1.00 8.99 H new ATOM 748 N GLY A 47 1.484 4.058 11.234 1.00 9.35 N ATOM 749 CA GLY A 47 0.838 5.298 11.702 1.00 11.68 C ATOM 750 C GLY A 47 1.016 6.405 10.673 1.00 11.14 C ATOM 751 O GLY A 47 0.630 7.496 10.937 1.00 13.93 O ATOM 0 H GLY A 47 0.886 3.385 10.755 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.223 5.120 11.876 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.270 5.604 12.655 1.00 11.68 H new ATOM 755 N LYS A 48 1.689 6.274 9.516 1.00 10.47 N ATOM 756 CA LYS A 48 1.910 7.344 8.566 1.00 8.82 C ATOM 757 C LYS A 48 1.306 6.909 7.288 1.00 7.68 C ATOM 758 O LYS A 48 1.619 5.804 6.791 1.00 6.47 O ATOM 759 CB LYS A 48 3.412 7.590 8.367 1.00 9.74 C ATOM 760 CG LYS A 48 3.828 8.643 7.356 1.00 14.14 C ATOM 761 CD LYS A 48 3.487 10.086 7.788 1.00 16.32 C ATOM 762 CE LYS A 48 4.429 10.620 8.828 1.00 20.04 C ATOM 763 NZ LYS A 48 4.123 12.000 9.339 1.00 23.92 N ATOM 0 H LYS A 48 2.101 5.389 9.221 1.00 10.47 H new ATOM 0 HA LYS A 48 1.466 8.272 8.925 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.837 7.866 9.332 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.870 6.645 8.075 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.902 8.568 7.187 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.340 8.433 6.404 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.511 10.737 6.914 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.469 10.113 8.178 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.434 9.932 9.674 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.437 10.622 8.412 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.831 12.272 10.050 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.148 12.676 8.549 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.177 12.008 9.772 1.00 23.92 H new ATOM 777 N GLN A 49 0.392 7.761 6.766 1.00 8.89 N ATOM 778 CA GLN A 49 -0.358 7.641 5.549 1.00 7.18 C ATOM 779 C GLN A 49 0.502 7.962 4.375 1.00 8.23 C ATOM 780 O GLN A 49 1.224 8.940 4.328 1.00 9.70 O ATOM 781 CB GLN A 49 -1.616 8.459 5.642 1.00 11.67 C ATOM 782 CG GLN A 49 -2.738 7.966 4.758 1.00 15.82 C ATOM 783 CD GLN A 49 -3.802 9.061 4.770 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.538 9.184 5.775 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.821 9.903 3.708 1.00 20.67 N ATOM 0 H GLN A 49 0.158 8.625 7.255 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.680 6.610 5.399 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.958 8.464 6.677 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.386 9.491 5.378 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.382 7.780 3.745 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.143 7.025 5.131 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.193 9.744 2.920 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.463 10.695 3.697 1.00 20.67 H new ATOM 794 N LEU A 50 0.507 6.999 3.469 1.00 6.51 N ATOM 795 CA LEU A 50 1.350 7.022 2.258 1.00 7.41 C ATOM 796 C LEU A 50 0.632 7.728 1.132 1.00 8.27 C ATOM 797 O LEU A 50 -0.595 7.758 0.970 1.00 8.34 O ATOM 798 CB LEU A 50 1.681 5.608 1.771 1.00 7.13 C ATOM 799 CG LEU A 50 2.428 4.671 2.724 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.659 3.283 2.092 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.744 5.290 3.266 1.00 9.11 C ATOM 0 H LEU A 50 -0.076 6.165 3.543 1.00 6.51 H new ATOM 0 HA LEU A 50 2.269 7.543 2.527 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.745 5.124 1.494 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.274 5.700 0.861 1.00 7.13 H new ATOM 0 HG LEU A 50 1.781 4.530 3.590 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.192 2.646 2.798 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.698 2.830 1.848 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.251 3.391 1.183 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.231 4.581 3.936 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.409 5.517 2.433 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.518 6.207 3.810 1.00 9.11 H new ATOM 813 N GLU A 51 1.426 8.417 0.269 1.00 9.43 N ATOM 814 CA GLU A 51 0.998 9.307 -0.781 1.00 11.90 C ATOM 815 C GLU A 51 1.370 8.820 -2.138 1.00 11.49 C ATOM 816 O GLU A 51 2.520 8.451 -2.404 1.00 9.88 O ATOM 817 CB GLU A 51 1.489 10.743 -0.569 1.00 16.56 C ATOM 818 CG GLU A 51 1.016 11.806 -1.570 1.00 26.06 C ATOM 819 CD GLU A 51 1.518 13.205 -1.265 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.597 13.629 -1.740 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.728 13.966 -0.692 1.00 32.13 O ATOM 0 H GLU A 51 2.442 8.343 0.313 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.091 9.316 -0.725 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.183 11.060 0.428 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.579 10.731 -0.580 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.346 11.522 -2.569 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.074 11.817 -1.585 1.00 26.06 H new ATOM 828 N ASP A 52 0.362 8.825 -3.077 1.00 12.71 N ATOM 829 CA ASP A 52 0.323 8.032 -4.295 1.00 16.56 C ATOM 830 C ASP A 52 1.566 8.144 -5.234 1.00 15.83 C ATOM 831 O ASP A 52 2.105 7.165 -5.755 1.00 17.21 O ATOM 832 CB ASP A 52 -0.971 8.440 -5.020 1.00 21.05 C ATOM 833 CG ASP A 52 -2.205 8.365 -4.128 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.355 9.161 -3.173 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.086 7.496 -4.381 1.00 25.82 O ATOM 0 H ASP A 52 -0.463 9.415 -2.973 1.00 12.71 H new ATOM 0 HA ASP A 52 0.345 6.979 -4.015 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.864 9.457 -5.397 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.115 7.793 -5.885 1.00 21.05 H new ATOM 840 N GLY A 53 2.102 9.390 -5.458 1.00 15.00 N ATOM 841 CA GLY A 53 3.181 9.675 -6.338 1.00 11.77 C ATOM 842 C GLY A 53 4.503 9.650 -5.755 1.00 11.10 C ATOM 843 O GLY A 53 5.493 10.039 -6.368 1.00 11.25 O ATOM 0 H GLY A 53 1.747 10.224 -4.990 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.154 8.956 -7.157 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.017 10.661 -6.773 1.00 11.77 H new ATOM 847 N ARG A 54 4.615 9.133 -4.510 1.00 8.53 N ATOM 848 CA ARG A 54 5.888 8.935 -3.932 1.00 9.05 C ATOM 849 C ARG A 54 6.263 7.474 -4.013 1.00 8.96 C ATOM 850 O ARG A 54 5.494 6.659 -4.522 1.00 11.60 O ATOM 851 CB ARG A 54 5.881 9.432 -2.470 1.00 7.97 C ATOM 852 CG ARG A 54 5.236 10.882 -2.285 1.00 9.62 C ATOM 853 CD ARG A 54 6.059 12.067 -2.754 1.00 12.20 C ATOM 854 NE ARG A 54 5.202 13.295 -2.592 1.00 18.23 N ATOM 855 CZ ARG A 54 5.717 14.571 -2.609 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.020 14.848 -2.742 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.881 15.586 -2.412 1.00 23.38 N ATOM 0 H ARG A 54 3.827 8.860 -3.923 1.00 8.53 H new ATOM 0 HA ARG A 54 6.635 9.508 -4.481 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.331 8.719 -1.856 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.905 9.450 -2.097 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.284 10.899 -2.816 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.014 11.021 -1.227 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.974 12.156 -2.168 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.358 11.941 -3.795 1.00 12.20 H new ATOM 0 HE ARG A 54 4.197 13.176 -2.464 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.695 14.090 -2.838 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.337 15.817 -2.747 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.889 15.407 -2.254 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.231 16.544 -2.419 1.00 23.38 H new ATOM 871 N THR A 55 7.505 7.140 -3.675 1.00 9.05 N ATOM 872 CA THR A 55 8.008 5.779 -3.719 1.00 9.03 C ATOM 873 C THR A 55 8.087 5.037 -2.422 1.00 8.15 C ATOM 874 O THR A 55 7.813 5.503 -1.305 1.00 5.91 O ATOM 875 CB THR A 55 9.316 5.613 -4.410 1.00 11.15 C ATOM 876 OG1 THR A 55 10.365 6.273 -3.778 1.00 11.95 O ATOM 877 CG2 THR A 55 9.139 6.205 -5.867 1.00 11.71 C ATOM 0 H THR A 55 8.197 7.820 -3.359 1.00 9.05 H new ATOM 0 HA THR A 55 7.210 5.329 -4.309 1.00 9.03 H new ATOM 0 HB THR A 55 9.577 4.555 -4.408 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.064 7.158 -3.483 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.075 6.106 -6.416 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.353 5.659 -6.389 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.866 7.258 -5.801 1.00 11.71 H new ATOM 885 N LEU A 56 8.344 3.772 -2.517 1.00 6.91 N ATOM 886 CA LEU A 56 8.710 2.897 -1.428 1.00 8.29 C ATOM 887 C LEU A 56 10.056 3.399 -0.791 1.00 8.05 C ATOM 888 O LEU A 56 10.248 3.529 0.380 1.00 10.17 O ATOM 889 CB LEU A 56 8.896 1.447 -1.976 1.00 6.60 C ATOM 890 CG LEU A 56 7.587 0.917 -2.544 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.867 -0.488 -3.079 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.458 0.874 -1.506 1.00 8.64 C ATOM 0 H LEU A 56 8.304 3.282 -3.411 1.00 6.91 H new ATOM 0 HA LEU A 56 7.927 2.901 -0.670 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.664 1.441 -2.750 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.244 0.792 -1.177 1.00 6.60 H new ATOM 0 HG LEU A 56 7.242 1.589 -3.330 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.952 -0.907 -3.497 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.630 -0.436 -3.855 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.219 -1.123 -2.266 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.551 0.487 -1.971 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.748 0.224 -0.680 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.272 1.880 -1.129 1.00 8.64 H new ATOM 904 N SER A 57 11.004 3.738 -1.681 1.00 8.92 N ATOM 905 CA SER A 57 12.260 4.400 -1.268 1.00 9.00 C ATOM 906 C SER A 57 12.115 5.677 -0.424 1.00 9.44 C ATOM 907 O SER A 57 12.860 6.058 0.422 1.00 10.91 O ATOM 908 CB SER A 57 13.105 4.718 -2.470 1.00 10.32 C ATOM 909 OG SER A 57 14.457 4.975 -2.152 1.00 13.59 O ATOM 0 H SER A 57 10.929 3.568 -2.684 1.00 8.92 H new ATOM 0 HA SER A 57 12.731 3.666 -0.614 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.056 3.884 -3.170 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.688 5.587 -2.979 1.00 10.32 H new ATOM 0 HG SER A 57 14.954 5.173 -2.973 1.00 13.59 H new ATOM 915 N ASP A 58 10.987 6.412 -0.646 1.00 9.11 N ATOM 916 CA ASP A 58 10.593 7.569 0.111 1.00 7.91 C ATOM 917 C ASP A 58 10.243 7.206 1.545 1.00 9.12 C ATOM 918 O ASP A 58 10.566 8.019 2.440 1.00 8.61 O ATOM 919 CB ASP A 58 9.398 8.411 -0.467 1.00 8.41 C ATOM 920 CG ASP A 58 9.837 9.152 -1.766 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.658 10.083 -1.699 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.197 8.923 -2.860 1.00 11.70 O ATOM 0 H ASP A 58 10.326 6.182 -1.388 1.00 9.11 H new ATOM 0 HA ASP A 58 11.481 8.198 0.050 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.553 7.756 -0.681 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.061 9.134 0.276 1.00 8.41 H new ATOM 927 N TYR A 59 9.546 6.117 1.834 1.00 7.97 N ATOM 928 CA TYR A 59 9.021 5.905 3.215 1.00 8.45 C ATOM 929 C TYR A 59 9.845 4.948 4.061 1.00 10.98 C ATOM 930 O TYR A 59 9.434 4.582 5.124 1.00 12.95 O ATOM 931 CB TYR A 59 7.514 5.467 3.100 1.00 7.94 C ATOM 932 CG TYR A 59 6.590 6.552 2.666 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.144 7.434 3.673 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.293 6.857 1.376 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.222 8.450 3.302 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.418 7.839 0.976 1.00 6.52 C ATOM 937 CZ TYR A 59 4.848 8.690 1.983 1.00 6.76 C ATOM 938 OH TYR A 59 3.929 9.671 1.521 1.00 7.63 O ATOM 0 H TYR A 59 9.325 5.376 1.169 1.00 7.97 H new ATOM 0 HA TYR A 59 9.100 6.847 3.758 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.441 4.640 2.394 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.183 5.090 4.068 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.491 7.340 4.691 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.783 6.283 0.604 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.792 9.064 4.079 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.166 7.967 -0.066 1.00 6.52 H new ATOM 0 HH TYR A 59 4.336 10.183 0.791 1.00 7.63 H new ATOM 948 N ASN A 60 11.026 4.640 3.515 1.00 12.38 N ATOM 949 CA ASN A 60 12.021 3.751 4.024 1.00 13.94 C ATOM 950 C ASN A 60 11.443 2.332 4.014 1.00 14.16 C ATOM 951 O ASN A 60 11.497 1.593 5.002 1.00 14.26 O ATOM 952 CB ASN A 60 12.591 4.198 5.354 1.00 19.23 C ATOM 953 CG ASN A 60 13.303 5.555 5.249 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.783 5.955 4.162 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.467 6.254 6.418 1.00 24.09 N ATOM 0 H ASN A 60 11.314 5.054 2.629 1.00 12.38 H new ATOM 0 HA ASN A 60 12.898 3.762 3.376 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.788 4.266 6.088 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.293 3.448 5.718 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.993 7.128 6.420 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.063 5.900 7.285 1.00 24.09 H new ATOM 962 N ILE A 61 10.802 1.962 2.906 1.00 11.08 N ATOM 963 CA ILE A 61 10.054 0.721 2.766 1.00 11.78 C ATOM 964 C ILE A 61 11.013 -0.239 1.967 1.00 13.74 C ATOM 965 O ILE A 61 11.580 0.181 0.927 1.00 14.60 O ATOM 966 CB ILE A 61 8.749 0.788 1.999 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.681 1.616 2.802 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.223 -0.688 1.772 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.378 1.833 2.104 1.00 11.42 C ATOM 0 H ILE A 61 10.790 2.534 2.062 1.00 11.08 H new ATOM 0 HA ILE A 61 9.768 0.407 3.770 1.00 11.78 H new ATOM 0 HB ILE A 61 8.914 1.281 1.041 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.487 1.107 3.746 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.109 2.588 3.046 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.283 -0.659 1.221 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.960 -1.253 1.202 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.063 -1.170 2.737 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.715 2.414 2.744 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.549 2.374 1.173 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.918 0.870 1.884 1.00 11.42 H new ATOM 981 N GLN A 62 11.203 -1.450 2.522 1.00 13.97 N ATOM 982 CA GLN A 62 12.313 -2.297 2.167 1.00 15.52 C ATOM 983 C GLN A 62 11.745 -3.688 2.150 1.00 13.94 C ATOM 984 O GLN A 62 10.564 -3.882 2.446 1.00 12.15 O ATOM 985 CB GLN A 62 13.512 -2.099 3.193 1.00 19.53 C ATOM 986 CG GLN A 62 13.022 -2.165 4.646 1.00 26.38 C ATOM 987 CD GLN A 62 14.191 -1.976 5.678 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.359 -1.922 5.295 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.807 -1.918 6.961 1.00 32.71 N ATOM 0 H GLN A 62 10.583 -1.851 3.225 1.00 13.97 H new ATOM 0 HA GLN A 62 12.748 -2.062 1.196 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.266 -2.868 3.026 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.992 -1.137 3.013 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.269 -1.394 4.808 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.538 -3.126 4.821 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.817 -1.969 7.200 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.505 -1.822 7.698 1.00 32.71 H new ATOM 998 N LYS A 63 12.630 -4.678 1.946 1.00 11.73 N ATOM 999 CA LYS A 63 12.272 -6.121 1.951 1.00 11.97 C ATOM 1000 C LYS A 63 11.544 -6.672 3.176 1.00 10.41 C ATOM 1001 O LYS A 63 11.850 -6.295 4.277 1.00 9.59 O ATOM 1002 CB LYS A 63 13.609 -6.844 1.791 1.00 13.73 C ATOM 1003 CG LYS A 63 14.605 -6.723 2.941 1.00 16.98 C ATOM 1004 CD LYS A 63 15.823 -7.486 2.487 1.00 20.19 C ATOM 1005 CE LYS A 63 16.929 -7.612 3.513 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.135 -8.371 3.048 1.00 25.97 N ATOM 0 H LYS A 63 13.620 -4.507 1.771 1.00 11.73 H new ATOM 0 HA LYS A 63 11.541 -6.278 1.158 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.404 -7.902 1.630 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.089 -6.471 0.886 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.847 -5.680 3.145 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.198 -7.142 3.861 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.513 -8.487 2.187 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.227 -6.998 1.600 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.241 -6.612 3.815 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.528 -8.103 4.400 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.839 -8.407 3.813 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.857 -9.339 2.787 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.547 -7.895 2.221 1.00 25.97 H new ATOM 1020 N GLU A 64 10.539 -7.485 2.967 1.00 10.04 N ATOM 1021 CA GLU A 64 9.576 -8.019 3.981 1.00 10.94 C ATOM 1022 C GLU A 64 9.011 -7.060 4.963 1.00 9.74 C ATOM 1023 O GLU A 64 8.519 -7.419 6.031 1.00 9.42 O ATOM 1024 CB GLU A 64 10.306 -9.220 4.676 1.00 18.31 C ATOM 1025 CG GLU A 64 10.732 -10.385 3.690 1.00 24.16 C ATOM 1026 CD GLU A 64 11.663 -11.396 4.341 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.206 -11.938 5.375 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.752 -11.752 3.815 1.00 32.61 O ATOM 0 H GLU A 64 10.331 -7.833 2.031 1.00 10.04 H new ATOM 0 HA GLU A 64 8.671 -8.313 3.450 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.196 -8.845 5.182 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.652 -9.632 5.444 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.839 -10.898 3.333 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.223 -9.955 2.817 1.00 24.16 H new ATOM 1035 N SER A 65 8.869 -5.805 4.535 1.00 6.85 N ATOM 1036 CA SER A 65 8.149 -4.803 5.316 1.00 6.90 C ATOM 1037 C SER A 65 6.670 -5.048 5.313 1.00 4.72 C ATOM 1038 O SER A 65 6.102 -5.614 4.353 1.00 3.91 O ATOM 1039 CB SER A 65 8.331 -3.348 4.804 1.00 7.28 C ATOM 1040 OG SER A 65 9.694 -3.119 4.749 1.00 10.56 O ATOM 0 H SER A 65 9.244 -5.460 3.651 1.00 6.85 H new ATOM 0 HA SER A 65 8.581 -4.903 6.312 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.877 -3.223 3.821 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.845 -2.638 5.473 1.00 7.28 H new ATOM 0 HG SER A 65 10.068 -3.561 3.959 1.00 10.56 H new ATOM 1046 N THR A 66 5.924 -4.646 6.422 1.00 4.48 N ATOM 1047 CA THR A 66 4.456 -4.836 6.616 1.00 3.80 C ATOM 1048 C THR A 66 3.836 -3.461 6.444 1.00 4.60 C ATOM 1049 O THR A 66 4.040 -2.540 7.234 1.00 5.33 O ATOM 1050 CB THR A 66 3.875 -5.453 7.881 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.297 -6.802 7.966 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.349 -5.464 7.882 1.00 3.40 C ATOM 0 H THR A 66 6.358 -4.171 7.213 1.00 4.48 H new ATOM 0 HA THR A 66 4.217 -5.612 5.889 1.00 3.80 H new ATOM 0 HB THR A 66 4.224 -4.849 8.719 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.930 -7.209 8.778 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.989 -5.915 8.807 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.978 -4.442 7.808 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.989 -6.043 7.032 1.00 3.40 H new ATOM 1060 N LEU A 67 3.022 -3.289 5.400 1.00 4.17 N ATOM 1061 CA LEU A 67 2.187 -2.109 5.138 1.00 3.85 C ATOM 1062 C LEU A 67 0.785 -2.414 5.589 1.00 3.80 C ATOM 1063 O LEU A 67 0.396 -3.562 5.620 1.00 5.54 O ATOM 1064 CB LEU A 67 2.175 -1.668 3.638 1.00 7.18 C ATOM 1065 CG LEU A 67 3.483 -1.159 2.983 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.548 -2.253 2.903 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.184 -0.686 1.528 1.00 11.66 C ATOM 0 H LEU A 67 2.921 -4.002 4.678 1.00 4.17 H new ATOM 0 HA LEU A 67 2.615 -1.274 5.693 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.824 -2.517 3.051 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.430 -0.879 3.535 1.00 7.18 H new ATOM 0 HG LEU A 67 3.857 -0.344 3.602 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.448 -1.851 2.437 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.785 -2.604 3.907 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.171 -3.085 2.308 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.104 -0.327 1.066 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.788 -1.520 0.949 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.451 0.121 1.551 1.00 11.66 H new ATOM 1079 N HIS A 68 0.000 -1.371 5.915 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.359 -1.599 6.406 1.00 4.17 C ATOM 1081 C HIS A 68 -2.410 -1.024 5.518 1.00 5.32 C ATOM 1082 O HIS A 68 -2.276 0.138 5.114 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.576 -0.913 7.809 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.740 -1.513 8.855 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.099 -2.704 9.463 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.562 -1.299 9.144 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.022 -3.095 10.196 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.988 -2.239 10.061 1.00 16.30 N ATOM 0 H HIS A 68 0.278 -0.392 5.848 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.455 -2.684 6.452 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.349 0.150 7.731 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.625 -0.995 8.093 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.174 -0.515 8.723 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.009 -3.984 10.808 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.890 -2.271 10.536 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.396 -1.817 5.112 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.458 -1.453 4.102 1.00 3.97 C ATOM 1098 C LEU A 69 -5.700 -1.271 4.928 1.00 5.07 C ATOM 1099 O LEU A 69 -6.053 -2.082 5.811 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.696 -2.579 3.005 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.955 -2.362 2.177 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.061 -1.058 1.408 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.206 -3.534 1.188 1.00 9.96 C ATOM 0 H LEU A 69 -3.507 -2.766 5.470 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.166 -0.568 3.537 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.834 -2.614 2.339 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.758 -3.549 3.498 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.723 -2.314 2.949 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.004 -1.033 0.862 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.022 -0.221 2.105 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.232 -0.983 0.704 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.114 -3.340 0.617 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.360 -3.622 0.506 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.321 -4.463 1.746 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.308 -0.100 4.732 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.531 0.343 5.353 1.00 6.26 C ATOM 1117 C VAL A 70 -8.297 0.980 4.229 1.00 9.22 C ATOM 1118 O VAL A 70 -7.737 1.330 3.168 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.373 1.236 6.615 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.550 0.338 7.801 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.037 1.961 6.609 1.00 8.54 C ATOM 0 H VAL A 70 -5.926 0.598 4.094 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.065 -0.496 5.799 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.122 2.028 6.643 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.448 0.920 8.717 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.540 -0.116 7.769 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.791 -0.444 7.782 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.954 2.578 7.504 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.227 1.232 6.595 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.970 2.594 5.724 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.615 1.189 4.501 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.519 1.593 3.418 1.00 16.06 C ATOM 1133 C LEU A 71 -10.920 3.007 3.593 1.00 18.09 C ATOM 1134 O LEU A 71 -11.087 3.435 4.724 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.825 0.779 3.384 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.807 0.920 2.176 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.050 0.461 0.896 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.114 0.033 2.368 1.00 19.57 C ATOM 0 H LEU A 71 -10.048 1.087 5.419 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.963 1.426 2.496 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.552 -0.274 3.458 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.384 1.027 4.286 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.130 1.958 2.098 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.710 0.547 0.033 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.173 1.090 0.747 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.737 -0.577 1.011 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.770 0.160 1.507 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.832 -1.016 2.458 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.637 0.347 3.271 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.025 3.727 2.485 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.541 5.082 2.406 1.00 25.83 C ATOM 1152 C ARG A 72 -12.833 5.202 1.634 1.00 27.74 C ATOM 1153 O ARG A 72 -12.983 4.726 0.490 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.480 6.051 1.804 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.896 7.555 1.718 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.875 8.303 0.888 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.044 9.832 0.902 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.285 10.667 0.199 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.233 10.256 -0.557 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.625 11.947 -0.018 1.00 35.02 N ATOM 0 H ARG A 72 -10.739 3.363 1.576 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.762 5.365 3.435 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.571 5.980 2.402 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.230 5.706 0.801 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.885 7.647 1.270 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.957 7.986 2.717 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.878 8.056 1.252 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.934 7.952 -0.142 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.781 10.228 1.485 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.995 9.265 -0.603 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.682 10.938 -1.078 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.497 12.315 0.363 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.012 12.552 -0.564 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.846 5.752 2.318 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.240 5.759 1.857 1.00 30.76 C ATOM 1176 C LEU A 73 -15.453 7.079 1.088 1.00 32.18 C ATOM 1177 O LEU A 73 -14.702 8.034 1.282 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.279 5.544 2.952 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.307 4.272 3.812 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.483 4.157 4.853 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.252 3.068 2.940 1.00 29.11 C ATOM 0 H LEU A 73 -13.717 6.211 3.220 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.398 4.897 1.209 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.190 6.385 3.639 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.257 5.623 2.477 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.416 4.342 4.437 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.395 3.218 5.399 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.431 4.990 5.554 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.438 4.183 4.328 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.272 2.170 3.558 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.110 3.066 2.268 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.333 3.085 2.354 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.476 7.103 0.301 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.754 8.222 -0.558 1.00 35.33 C ATOM 1195 C ARG A 74 -17.298 9.441 0.161 1.00 36.22 C ATOM 1196 O ARG A 74 -18.000 9.334 1.148 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.620 7.928 -1.792 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.146 6.869 -2.804 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.713 7.111 -3.304 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.483 6.102 -4.311 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.472 6.116 -5.189 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.471 6.989 -5.091 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.498 5.362 -6.249 1.00 41.93 N ATOM 0 H ARG A 74 -17.153 6.343 0.230 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.753 8.449 -0.926 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.605 7.626 -1.437 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.750 8.865 -2.333 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.202 5.883 -2.342 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.825 6.860 -3.656 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.606 8.113 -3.720 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.993 7.025 -2.490 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.138 5.322 -4.357 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.461 7.671 -4.332 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.714 6.976 -5.775 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.296 4.750 -6.420 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.721 5.383 -6.909 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.056 10.659 -0.339 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.373 11.900 0.355 1.00 36.07 C ATOM 1219 C GLY A 75 -16.407 12.342 1.416 1.00 36.16 C ATOM 1220 O GLY A 75 -16.769 12.998 2.419 1.00 36.26 O ATOM 0 H GLY A 75 -16.627 10.805 -1.253 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.452 12.695 -0.387 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.356 11.793 0.813 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.174 11.927 1.209 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.209 12.314 2.154 1.00 36.19 C ATOM 1226 C GLY A 76 -12.787 11.738 1.825 1.00 36.20 C ATOM 1227 O GLY A 76 -11.868 12.549 1.486 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.548 10.537 1.877 1.00 0.00 O ATOM 0 H GLY A 76 -14.850 11.353 0.431 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.158 13.402 2.192 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.516 11.974 3.143 1.00 36.19 H new TER 1232 GLY A 76