USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0112 USER MOD Set 2.2: A 25 ASN : amide:sc= -1.47! C(o=-1.5!,f=-2.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 150:sc= -0.612 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.208 (180deg=-0.225) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.28 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0351) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.23) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -61:sc= 0.00341 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 0.169 (180deg=-0.682) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 1.24 (180deg=0.647) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.28 F(o=-1.9,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.525 K(o=0.53,f=-2.5!) USER MOD Single : A 41 GLN : amide:sc= 0.223 K(o=0.22,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.791 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.294 K(o=0.29,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.375 -6.849 -4.933 1.00 9.67 N ATOM 2 CA MET A 1 11.238 -6.638 -3.471 1.00 10.38 C ATOM 3 C MET A 1 9.884 -7.201 -3.085 1.00 9.62 C ATOM 4 O MET A 1 8.863 -6.829 -3.574 1.00 9.62 O ATOM 5 CB MET A 1 11.380 -5.148 -3.336 1.00 13.77 C ATOM 6 CG MET A 1 11.718 -4.621 -1.903 1.00 16.29 C ATOM 7 SD MET A 1 11.729 -2.787 -1.920 1.00 17.17 S ATOM 8 CE MET A 1 10.066 -2.401 -1.379 1.00 16.11 C ATOM 0 H1 MET A 1 12.383 -6.904 -5.183 1.00 9.67 H new ATOM 0 H2 MET A 1 10.902 -7.736 -5.202 1.00 9.67 H new ATOM 0 H3 MET A 1 10.936 -6.055 -5.441 1.00 9.67 H new ATOM 0 HA MET A 1 11.959 -7.126 -2.816 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.161 -4.814 -4.019 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.450 -4.683 -3.663 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.982 -4.985 -1.186 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.689 -4.999 -1.583 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.025 -1.366 -1.039 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.372 -2.538 -2.209 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.787 -3.063 -0.560 1.00 16.11 H new ATOM 20 N GLN A 2 9.834 -8.197 -2.199 1.00 9.27 N ATOM 21 CA GLN A 2 8.529 -8.647 -1.606 1.00 9.07 C ATOM 22 C GLN A 2 8.061 -7.719 -0.505 1.00 8.72 C ATOM 23 O GLN A 2 8.820 -7.239 0.292 1.00 8.22 O ATOM 24 CB GLN A 2 8.600 -10.096 -0.994 1.00 14.46 C ATOM 25 CG GLN A 2 8.782 -11.263 -2.055 1.00 17.01 C ATOM 26 CD GLN A 2 8.387 -12.652 -1.613 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.517 -12.995 -0.404 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.866 -13.494 -2.520 1.00 19.49 N ATOM 0 H GLN A 2 10.651 -8.711 -1.868 1.00 9.27 H new ATOM 0 HA GLN A 2 7.829 -8.638 -2.441 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.429 -10.135 -0.287 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.688 -10.280 -0.427 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.200 -11.010 -2.941 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.829 -11.287 -2.357 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.768 -13.200 -3.492 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.568 -14.427 -2.237 1.00 19.49 H new ATOM 37 N ILE A 3 6.744 -7.441 -0.404 1.00 5.87 N ATOM 38 CA ILE A 3 6.320 -6.712 0.718 1.00 5.07 C ATOM 39 C ILE A 3 4.934 -7.278 1.160 1.00 4.01 C ATOM 40 O ILE A 3 4.259 -7.883 0.370 1.00 4.61 O ATOM 41 CB ILE A 3 6.147 -5.205 0.458 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.263 -4.922 -0.758 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.548 -4.629 0.277 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.810 -3.454 -0.890 1.00 10.83 C ATOM 0 H ILE A 3 6.020 -7.711 -1.069 1.00 5.87 H new ATOM 0 HA ILE A 3 7.094 -6.820 1.478 1.00 5.07 H new ATOM 0 HB ILE A 3 5.636 -4.735 1.298 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.806 -5.204 -1.660 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.380 -5.559 -0.706 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.479 -3.558 0.089 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.132 -4.802 1.181 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.035 -5.115 -0.568 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.188 -3.344 -1.778 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.236 -3.170 -0.008 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.685 -2.810 -0.977 1.00 10.83 H new ATOM 56 N PHE A 4 4.558 -7.153 2.449 1.00 4.55 N ATOM 57 CA PHE A 4 3.421 -7.800 3.018 1.00 4.68 C ATOM 58 C PHE A 4 2.414 -6.691 3.487 1.00 5.30 C ATOM 59 O PHE A 4 2.802 -5.607 3.945 1.00 5.58 O ATOM 60 CB PHE A 4 3.783 -8.622 4.276 1.00 4.83 C ATOM 61 CG PHE A 4 4.921 -9.618 4.039 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.111 -10.383 2.815 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.859 -9.818 5.136 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.243 -11.187 2.750 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.923 -10.691 4.975 1.00 10.61 C ATOM 66 CZ PHE A 4 7.088 -11.337 3.832 1.00 8.90 C ATOM 0 H PHE A 4 5.069 -6.577 3.118 1.00 4.55 H new ATOM 0 HA PHE A 4 3.008 -8.466 2.261 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.066 -7.941 5.078 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.900 -9.163 4.615 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.407 -10.328 1.998 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.726 -9.289 6.068 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.467 -11.707 1.831 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.620 -10.845 5.785 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.924 -12.014 3.741 1.00 8.90 H new ATOM 76 N VAL A 5 1.082 -6.850 3.261 1.00 4.44 N ATOM 77 CA VAL A 5 0.075 -5.856 3.611 1.00 3.87 C ATOM 78 C VAL A 5 -0.908 -6.562 4.501 1.00 4.93 C ATOM 79 O VAL A 5 -1.451 -7.606 4.163 1.00 6.84 O ATOM 80 CB VAL A 5 -0.675 -5.284 2.418 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.685 -4.185 2.797 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.298 -4.572 1.543 1.00 9.13 C ATOM 0 H VAL A 5 0.691 -7.686 2.826 1.00 4.44 H new ATOM 0 HA VAL A 5 0.573 -5.009 4.083 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.184 -6.131 1.958 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.183 -3.823 1.898 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.427 -4.594 3.483 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.161 -3.360 3.279 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.224 -4.155 0.682 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.771 -3.767 2.105 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.060 -5.272 1.201 1.00 9.13 H new ATOM 92 N LYS A 6 -1.219 -5.993 5.688 1.00 6.04 N ATOM 93 CA LYS A 6 -2.234 -6.470 6.578 1.00 6.12 C ATOM 94 C LYS A 6 -3.564 -5.913 6.141 1.00 6.57 C ATOM 95 O LYS A 6 -3.727 -4.693 6.011 1.00 5.76 O ATOM 96 CB LYS A 6 -1.983 -6.010 8.034 1.00 7.45 C ATOM 97 CG LYS A 6 -0.619 -6.476 8.576 1.00 11.12 C ATOM 98 CD LYS A 6 -0.416 -6.142 10.061 1.00 14.54 C ATOM 99 CE LYS A 6 -1.400 -6.806 11.067 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.216 -8.210 11.027 1.00 20.55 N ATOM 0 H LYS A 6 -0.739 -5.164 6.039 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.221 -7.559 6.546 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.036 -4.922 8.082 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.776 -6.396 8.675 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.528 -7.553 8.436 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.176 -6.010 7.993 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.599 -6.428 10.338 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.486 -5.061 10.179 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.220 -6.430 12.074 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.429 -6.553 10.811 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.808 -8.659 11.755 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.488 -8.569 10.090 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.216 -8.434 11.207 1.00 20.55 H new ATOM 114 N THR A 7 -4.598 -6.753 5.880 1.00 7.41 N ATOM 115 CA THR A 7 -5.899 -6.231 5.454 1.00 7.48 C ATOM 116 C THR A 7 -6.728 -5.939 6.692 1.00 8.75 C ATOM 117 O THR A 7 -6.417 -6.287 7.811 1.00 8.58 O ATOM 118 CB THR A 7 -6.586 -7.075 4.398 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.196 -8.179 5.050 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.583 -7.404 3.222 1.00 9.17 C ATOM 0 H THR A 7 -4.549 -7.769 5.958 1.00 7.41 H new ATOM 0 HA THR A 7 -5.754 -5.292 4.920 1.00 7.48 H new ATOM 0 HB THR A 7 -7.395 -6.548 3.892 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.994 -8.453 4.552 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.089 -8.010 2.471 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.239 -6.475 2.767 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.728 -7.954 3.616 1.00 9.17 H new ATOM 128 N LEU A 8 -7.932 -5.396 6.517 1.00 9.84 N ATOM 129 CA LEU A 8 -8.852 -5.077 7.628 1.00 14.15 C ATOM 130 C LEU A 8 -9.656 -6.245 8.121 1.00 17.37 C ATOM 131 O LEU A 8 -10.130 -6.205 9.276 1.00 17.01 O ATOM 132 CB LEU A 8 -9.832 -3.946 7.225 1.00 16.63 C ATOM 133 CG LEU A 8 -9.054 -2.617 6.851 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.076 -1.564 6.337 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.307 -2.141 8.159 1.00 18.59 C ATOM 0 H LEU A 8 -8.307 -5.160 5.598 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.201 -4.762 8.444 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.434 -4.269 6.376 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.520 -3.748 8.047 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.323 -2.769 6.057 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.551 -0.645 6.077 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.587 -1.953 5.456 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.807 -1.356 7.118 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.755 -1.225 7.950 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.037 -1.953 8.947 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.613 -2.916 8.484 1.00 18.59 H new ATOM 147 N THR A 9 -9.680 -7.400 7.425 1.00 18.33 N ATOM 148 CA THR A 9 -10.261 -8.704 7.951 1.00 19.24 C ATOM 149 C THR A 9 -9.212 -9.561 8.647 1.00 19.48 C ATOM 150 O THR A 9 -9.463 -10.653 9.168 1.00 23.14 O ATOM 151 CB THR A 9 -10.894 -9.472 6.880 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.000 -9.662 5.703 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.004 -8.505 6.280 1.00 19.70 C ATOM 0 H THR A 9 -9.303 -7.481 6.481 1.00 18.33 H new ATOM 0 HA THR A 9 -11.017 -8.430 8.687 1.00 19.24 H new ATOM 0 HB THR A 9 -11.212 -10.429 7.294 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.468 -10.182 5.017 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.526 -9.010 5.467 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.717 -8.241 7.061 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.531 -7.600 5.900 1.00 19.70 H new ATOM 161 N GLY A 10 -7.975 -9.053 8.713 1.00 19.43 N ATOM 162 CA GLY A 10 -6.920 -9.641 9.526 1.00 18.74 C ATOM 163 C GLY A 10 -6.132 -10.741 8.785 1.00 17.62 C ATOM 164 O GLY A 10 -5.345 -11.516 9.388 1.00 19.74 O ATOM 0 H GLY A 10 -7.684 -8.221 8.200 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.231 -8.857 9.840 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.358 -10.062 10.431 1.00 18.74 H new ATOM 168 N LYS A 11 -6.192 -10.818 7.461 1.00 13.56 N ATOM 169 CA LYS A 11 -5.256 -11.656 6.725 1.00 11.91 C ATOM 170 C LYS A 11 -4.010 -10.805 6.284 1.00 10.18 C ATOM 171 O LYS A 11 -4.018 -9.576 6.276 1.00 9.10 O ATOM 172 CB LYS A 11 -5.916 -12.110 5.447 1.00 13.43 C ATOM 173 CG LYS A 11 -6.432 -11.114 4.417 1.00 16.69 C ATOM 174 CD LYS A 11 -7.044 -11.767 3.142 1.00 17.92 C ATOM 175 CE LYS A 11 -7.532 -10.808 2.092 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.139 -11.487 0.948 1.00 21.93 N ATOM 0 H LYS A 11 -6.868 -10.319 6.883 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.962 -12.490 7.362 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.202 -12.754 4.934 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.761 -12.736 5.733 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.187 -10.483 4.886 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.612 -10.461 4.118 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.294 -12.418 2.693 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.877 -12.401 3.445 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.261 -10.130 2.536 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.697 -10.198 1.747 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.443 -10.782 0.247 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.443 -12.128 0.516 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.963 -12.035 1.267 1.00 21.93 H new ATOM 190 N THR A 12 -2.942 -11.501 5.887 1.00 9.63 N ATOM 191 CA THR A 12 -1.680 -10.859 5.462 1.00 9.85 C ATOM 192 C THR A 12 -1.397 -11.336 4.078 1.00 11.66 C ATOM 193 O THR A 12 -1.153 -12.509 3.802 1.00 12.33 O ATOM 194 CB THR A 12 -0.479 -11.195 6.314 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.840 -11.290 7.697 1.00 10.91 O ATOM 196 CG2 THR A 12 0.494 -10.039 6.109 1.00 9.63 C ATOM 0 H THR A 12 -2.920 -12.520 5.848 1.00 9.63 H new ATOM 0 HA THR A 12 -1.825 -9.782 5.547 1.00 9.85 H new ATOM 0 HB THR A 12 -0.049 -12.156 6.033 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.046 -11.510 8.228 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.394 -10.212 6.698 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.759 -9.969 5.054 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.025 -9.108 6.428 1.00 9.63 H new ATOM 204 N ILE A 13 -1.618 -10.419 3.094 1.00 10.42 N ATOM 205 CA ILE A 13 -1.294 -10.670 1.704 1.00 11.84 C ATOM 206 C ILE A 13 0.190 -10.287 1.374 1.00 10.55 C ATOM 207 O ILE A 13 0.774 -9.394 2.017 1.00 11.92 O ATOM 208 CB ILE A 13 -2.240 -10.006 0.668 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.483 -8.504 0.898 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.644 -10.711 0.700 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.318 -7.806 -0.161 1.00 16.46 C ATOM 0 H ILE A 13 -2.024 -9.499 3.264 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.438 -11.745 1.601 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.734 -10.120 -0.291 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.973 -8.377 1.864 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.517 -8.003 0.962 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.304 -10.241 -0.029 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.527 -11.767 0.456 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.077 -10.615 1.696 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.428 -6.753 0.098 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.824 -7.892 -1.129 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.302 -8.271 -0.213 1.00 16.46 H new ATOM 223 N THR A 14 0.795 -10.931 0.290 1.00 9.39 N ATOM 224 CA THR A 14 2.178 -10.837 -0.164 1.00 9.63 C ATOM 225 C THR A 14 2.153 -10.233 -1.540 1.00 11.20 C ATOM 226 O THR A 14 1.518 -10.775 -2.448 1.00 11.63 O ATOM 227 CB THR A 14 2.905 -12.198 -0.230 1.00 10.38 C ATOM 228 OG1 THR A 14 3.105 -12.882 1.006 1.00 16.30 O ATOM 229 CG2 THR A 14 4.324 -12.015 -0.763 1.00 11.66 C ATOM 0 H THR A 14 0.256 -11.563 -0.302 1.00 9.39 H new ATOM 0 HA THR A 14 2.728 -10.232 0.556 1.00 9.63 H new ATOM 0 HB THR A 14 2.233 -12.783 -0.858 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.654 -12.329 1.601 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.825 -12.982 -0.804 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.284 -11.584 -1.763 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.878 -11.348 -0.102 1.00 11.66 H new ATOM 237 N LEU A 15 2.818 -9.111 -1.709 1.00 8.29 N ATOM 238 CA LEU A 15 3.038 -8.498 -2.972 1.00 9.03 C ATOM 239 C LEU A 15 4.485 -8.687 -3.427 1.00 8.59 C ATOM 240 O LEU A 15 5.399 -8.854 -2.596 1.00 7.79 O ATOM 241 CB LEU A 15 2.739 -6.958 -2.926 1.00 11.08 C ATOM 242 CG LEU A 15 1.434 -6.663 -2.107 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.474 -5.076 -1.959 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.119 -7.167 -2.761 1.00 15.27 C ATOM 0 H LEU A 15 3.230 -8.593 -0.933 1.00 8.29 H new ATOM 0 HA LEU A 15 2.358 -8.980 -3.674 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.582 -6.434 -2.475 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.630 -6.575 -3.941 1.00 11.08 H new ATOM 0 HG LEU A 15 1.423 -7.201 -1.159 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.602 -4.741 -1.397 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.381 -4.783 -1.431 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.466 -4.618 -2.948 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.726 -6.916 -2.120 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.009 -6.691 -3.733 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.168 -8.248 -2.890 1.00 15.27 H new ATOM 256 N GLU A 16 4.825 -8.579 -4.771 1.00 11.04 N ATOM 257 CA GLU A 16 6.176 -8.262 -5.167 1.00 11.50 C ATOM 258 C GLU A 16 6.177 -6.924 -5.894 1.00 10.13 C ATOM 259 O GLU A 16 5.309 -6.681 -6.724 1.00 9.83 O ATOM 260 CB GLU A 16 6.766 -9.269 -6.207 1.00 17.22 C ATOM 261 CG GLU A 16 8.233 -9.020 -6.765 1.00 23.33 C ATOM 262 CD GLU A 16 8.755 -10.175 -7.537 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.189 -10.622 -8.554 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.872 -10.621 -7.114 1.00 28.90 O ATOM 0 H GLU A 16 4.172 -8.710 -5.543 1.00 11.04 H new ATOM 0 HA GLU A 16 6.765 -8.278 -4.250 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.749 -10.260 -5.753 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.088 -9.297 -7.060 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.230 -8.135 -7.401 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.904 -8.812 -5.932 1.00 23.33 H new ATOM 271 N VAL A 17 7.060 -5.966 -5.546 1.00 8.99 N ATOM 272 CA VAL A 17 7.123 -4.627 -6.104 1.00 8.85 C ATOM 273 C VAL A 17 8.663 -4.293 -6.188 1.00 8.04 C ATOM 274 O VAL A 17 9.482 -5.170 -5.835 1.00 8.99 O ATOM 275 CB VAL A 17 6.392 -3.672 -5.126 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.875 -4.033 -4.928 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.047 -3.695 -3.696 1.00 10.54 C ATOM 0 H VAL A 17 7.774 -6.126 -4.836 1.00 8.99 H new ATOM 0 HA VAL A 17 6.654 -4.531 -7.083 1.00 8.85 H new ATOM 0 HB VAL A 17 6.480 -2.689 -5.588 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.421 -3.327 -4.232 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.360 -3.980 -5.887 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.791 -5.043 -4.527 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.508 -3.014 -3.038 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.999 -4.705 -3.290 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.089 -3.382 -3.768 1.00 10.54 H new ATOM 287 N GLU A 18 9.104 -3.110 -6.706 1.00 7.29 N ATOM 288 CA GLU A 18 10.512 -2.669 -6.779 1.00 7.08 C ATOM 289 C GLU A 18 10.649 -1.446 -5.999 1.00 6.45 C ATOM 290 O GLU A 18 9.631 -0.753 -6.020 1.00 5.28 O ATOM 291 CB GLU A 18 10.975 -2.414 -8.199 1.00 10.28 C ATOM 292 CG GLU A 18 10.910 -3.663 -9.150 1.00 12.65 C ATOM 293 CD GLU A 18 11.594 -4.924 -8.708 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.700 -4.809 -8.106 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.083 -6.013 -9.118 1.00 14.33 O ATOM 0 H GLU A 18 8.460 -2.421 -7.095 1.00 7.29 H new ATOM 0 HA GLU A 18 11.136 -3.469 -6.381 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.366 -1.618 -8.627 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.002 -2.050 -8.171 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.859 -3.896 -9.323 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.334 -3.373 -10.111 1.00 12.65 H new ATOM 302 N PRO A 19 11.725 -1.075 -5.272 1.00 7.24 N ATOM 303 CA PRO A 19 11.743 0.135 -4.396 1.00 7.07 C ATOM 304 C PRO A 19 11.664 1.499 -5.101 1.00 6.65 C ATOM 305 O PRO A 19 11.053 2.455 -4.564 1.00 6.37 O ATOM 306 CB PRO A 19 13.115 0.046 -3.727 1.00 7.61 C ATOM 307 CG PRO A 19 13.992 -0.664 -4.825 1.00 8.16 C ATOM 308 CD PRO A 19 13.015 -1.712 -5.412 1.00 7.49 C ATOM 0 HA PRO A 19 10.862 0.115 -3.754 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.505 1.031 -3.472 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.078 -0.531 -2.803 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.338 0.038 -5.584 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.878 -1.132 -4.396 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.243 -1.936 -6.454 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.060 -2.655 -4.867 1.00 7.49 H new ATOM 316 N SER A 20 12.276 1.712 -6.335 1.00 6.80 N ATOM 317 CA SER A 20 12.086 2.995 -7.005 1.00 6.28 C ATOM 318 C SER A 20 10.760 3.108 -7.779 1.00 8.45 C ATOM 319 O SER A 20 10.671 3.702 -8.899 1.00 7.26 O ATOM 320 CB SER A 20 13.222 3.355 -7.934 1.00 8.57 C ATOM 321 OG SER A 20 14.494 3.392 -7.325 1.00 11.13 O ATOM 0 H SER A 20 12.861 1.037 -6.828 1.00 6.80 H new ATOM 0 HA SER A 20 12.060 3.706 -6.179 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.247 2.634 -8.751 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.017 4.331 -8.375 1.00 8.57 H new ATOM 0 HG SER A 20 15.170 3.630 -7.993 1.00 11.13 H new ATOM 327 N ASP A 21 9.648 2.546 -7.250 1.00 7.50 N ATOM 328 CA ASP A 21 8.319 2.503 -7.885 1.00 7.70 C ATOM 329 C ASP A 21 7.322 2.993 -6.865 1.00 7.08 C ATOM 330 O ASP A 21 7.625 3.050 -5.684 1.00 8.11 O ATOM 331 CB ASP A 21 7.899 1.034 -8.173 1.00 11.00 C ATOM 332 CG ASP A 21 6.908 1.000 -9.321 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.089 1.728 -10.295 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.885 0.259 -9.214 1.00 14.36 O ATOM 0 H ASP A 21 9.657 2.095 -6.335 1.00 7.50 H new ATOM 0 HA ASP A 21 8.348 3.091 -8.802 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.777 0.437 -8.420 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.453 0.592 -7.282 1.00 11.00 H new ATOM 339 N THR A 22 6.126 3.437 -7.287 1.00 5.37 N ATOM 340 CA THR A 22 5.285 4.266 -6.551 1.00 6.01 C ATOM 341 C THR A 22 4.292 3.555 -5.651 1.00 8.01 C ATOM 342 O THR A 22 3.898 2.419 -5.831 1.00 8.11 O ATOM 343 CB THR A 22 4.489 5.402 -7.352 1.00 8.92 C ATOM 344 OG1 THR A 22 3.511 4.911 -8.199 1.00 10.22 O ATOM 345 CG2 THR A 22 5.453 6.280 -8.225 1.00 9.65 C ATOM 0 H THR A 22 5.743 3.190 -8.199 1.00 5.37 H new ATOM 0 HA THR A 22 6.045 4.760 -5.946 1.00 6.01 H new ATOM 0 HB THR A 22 4.015 5.993 -6.569 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.066 5.657 -8.653 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.876 7.039 -8.753 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.187 6.765 -7.581 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.967 5.647 -8.948 1.00 9.65 H new ATOM 353 N ILE A 23 3.884 4.278 -4.568 1.00 8.32 N ATOM 354 CA ILE A 23 2.739 3.944 -3.685 1.00 9.92 C ATOM 355 C ILE A 23 1.365 3.785 -4.463 1.00 10.01 C ATOM 356 O ILE A 23 0.557 2.950 -4.129 1.00 8.71 O ATOM 357 CB ILE A 23 2.613 5.000 -2.566 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.865 5.170 -1.769 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.498 4.614 -1.587 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.386 3.915 -1.015 1.00 12.30 C ATOM 0 H ILE A 23 4.360 5.133 -4.282 1.00 8.32 H new ATOM 0 HA ILE A 23 2.951 2.967 -3.250 1.00 9.92 H new ATOM 0 HB ILE A 23 2.393 5.938 -3.076 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.652 5.515 -2.440 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.699 5.962 -1.038 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.423 5.369 -0.805 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.550 4.550 -2.122 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.727 3.648 -1.138 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.299 4.168 -0.475 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.629 3.575 -0.309 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.596 3.121 -1.732 1.00 12.30 H new ATOM 372 N GLU A 24 1.121 4.533 -5.569 1.00 9.54 N ATOM 373 CA GLU A 24 -0.105 4.288 -6.363 1.00 11.81 C ATOM 374 C GLU A 24 -0.036 3.102 -7.321 1.00 11.14 C ATOM 375 O GLU A 24 -1.059 2.526 -7.747 1.00 10.62 O ATOM 376 CB GLU A 24 -0.495 5.580 -7.199 1.00 19.24 C ATOM 377 CG GLU A 24 -1.955 5.669 -7.495 1.00 27.76 C ATOM 378 CD GLU A 24 -2.275 6.825 -8.464 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.413 7.975 -8.014 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.332 6.498 -9.683 1.00 34.80 O ATOM 0 H GLU A 24 1.726 5.276 -5.918 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.862 4.044 -5.617 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.188 6.468 -6.647 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.060 5.579 -8.137 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.296 4.728 -7.927 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.506 5.811 -6.565 1.00 27.76 H new ATOM 387 N ASN A 25 1.222 2.652 -7.636 1.00 9.43 N ATOM 388 CA ASN A 25 1.454 1.279 -8.209 1.00 10.96 C ATOM 389 C ASN A 25 1.128 0.186 -7.261 1.00 9.68 C ATOM 390 O ASN A 25 0.558 -0.814 -7.640 1.00 9.33 O ATOM 391 CB ASN A 25 2.893 1.118 -8.768 1.00 16.78 C ATOM 392 CG ASN A 25 2.987 2.070 -9.938 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.015 2.453 -10.560 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.179 2.368 -10.371 1.00 24.70 N ATOM 0 H ASN A 25 2.071 3.203 -7.508 1.00 9.43 H new ATOM 0 HA ASN A 25 0.756 1.189 -9.041 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.637 1.357 -8.008 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.078 0.091 -9.083 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.289 2.917 -11.223 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.002 2.052 -9.858 1.00 24.70 H new ATOM 401 N VAL A 26 1.389 0.372 -5.932 1.00 6.52 N ATOM 402 CA VAL A 26 1.115 -0.591 -4.946 1.00 5.53 C ATOM 403 C VAL A 26 -0.418 -0.687 -4.795 1.00 4.42 C ATOM 404 O VAL A 26 -0.938 -1.792 -4.637 1.00 3.40 O ATOM 405 CB VAL A 26 1.763 -0.310 -3.569 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.183 -1.287 -2.500 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.265 -0.284 -3.719 1.00 8.12 C ATOM 0 H VAL A 26 1.803 1.227 -5.562 1.00 6.52 H new ATOM 0 HA VAL A 26 1.558 -1.530 -5.280 1.00 5.53 H new ATOM 0 HB VAL A 26 1.507 0.679 -3.189 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.644 -1.084 -1.533 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.105 -1.146 -2.425 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.395 -2.315 -2.794 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.724 -0.086 -2.750 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.610 -1.248 -4.094 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.547 0.501 -4.421 1.00 8.12 H new ATOM 417 N LYS A 27 -1.158 0.486 -4.850 1.00 2.64 N ATOM 418 CA LYS A 27 -2.595 0.497 -4.854 1.00 4.14 C ATOM 419 C LYS A 27 -3.152 -0.191 -6.072 1.00 5.58 C ATOM 420 O LYS A 27 -4.096 -0.957 -5.947 1.00 4.11 O ATOM 421 CB LYS A 27 -3.304 1.780 -4.491 1.00 3.97 C ATOM 422 CG LYS A 27 -2.792 2.470 -3.244 1.00 7.45 C ATOM 423 CD LYS A 27 -3.412 3.761 -2.913 1.00 9.02 C ATOM 424 CE LYS A 27 -2.712 4.412 -1.758 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.332 5.707 -1.390 1.00 15.47 N ATOM 0 H LYS A 27 -0.737 1.414 -4.891 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.844 -0.100 -3.977 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.221 2.472 -5.329 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.364 1.565 -4.358 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.932 1.797 -2.398 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.719 2.624 -3.355 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.377 4.419 -3.782 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.464 3.611 -2.668 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.733 3.743 -0.898 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.664 4.571 -2.012 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.618 6.321 -0.949 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.705 6.168 -2.244 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.109 5.542 -0.718 1.00 15.47 H new ATOM 439 N ALA A 28 -2.628 0.012 -7.274 1.00 6.61 N ATOM 440 CA ALA A 28 -3.034 -0.688 -8.462 1.00 7.74 C ATOM 441 C ALA A 28 -2.767 -2.199 -8.391 1.00 9.17 C ATOM 442 O ALA A 28 -3.585 -3.049 -8.733 1.00 11.45 O ATOM 443 CB ALA A 28 -2.250 -0.175 -9.640 1.00 7.68 C ATOM 0 H ALA A 28 -1.886 0.692 -7.443 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.106 -0.517 -8.561 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.558 -0.706 -10.541 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.437 0.891 -9.765 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.186 -0.339 -9.468 1.00 7.68 H new ATOM 449 N LYS A 29 -1.653 -2.564 -7.821 1.00 8.96 N ATOM 450 CA LYS A 29 -1.344 -3.992 -7.606 1.00 7.90 C ATOM 451 C LYS A 29 -2.291 -4.749 -6.666 1.00 6.92 C ATOM 452 O LYS A 29 -2.775 -5.879 -6.878 1.00 6.87 O ATOM 453 CB LYS A 29 0.106 -4.148 -7.138 1.00 10.28 C ATOM 454 CG LYS A 29 0.572 -5.622 -6.858 1.00 14.94 C ATOM 455 CD LYS A 29 2.067 -5.803 -7.232 1.00 19.69 C ATOM 456 CE LYS A 29 2.394 -6.088 -8.648 1.00 22.63 C ATOM 457 NZ LYS A 29 3.787 -6.058 -8.894 1.00 24.98 N ATOM 0 H LYS A 29 -0.936 -1.917 -7.492 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.495 -4.460 -8.579 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.762 -3.716 -7.894 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.240 -3.564 -6.228 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.423 -5.862 -5.805 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.039 -6.318 -7.433 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.597 -4.896 -6.942 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.468 -6.615 -6.625 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.000 -7.068 -8.919 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.899 -5.357 -9.287 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.044 -6.839 -9.531 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.042 -5.152 -9.336 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.300 -6.161 -7.996 1.00 24.98 H new ATOM 471 N ILE A 30 -2.724 -4.040 -5.606 1.00 4.57 N ATOM 472 CA ILE A 30 -3.790 -4.447 -4.686 1.00 5.58 C ATOM 473 C ILE A 30 -5.126 -4.491 -5.435 1.00 7.26 C ATOM 474 O ILE A 30 -5.945 -5.378 -5.143 1.00 9.46 O ATOM 475 CB ILE A 30 -3.826 -3.589 -3.409 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.455 -3.815 -2.732 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.907 -4.028 -2.430 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.263 -2.762 -1.523 1.00 2.00 C ATOM 0 H ILE A 30 -2.322 -3.135 -5.362 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.580 -5.455 -4.328 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.036 -2.552 -3.671 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.390 -4.835 -2.352 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.654 -3.695 -3.462 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.883 -3.386 -1.550 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.884 -3.952 -2.908 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.729 -5.061 -2.131 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.295 -2.925 -1.049 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.308 -1.746 -1.915 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.056 -2.903 -0.788 1.00 2.00 H new ATOM 490 N GLN A 31 -5.430 -3.624 -6.517 1.00 7.06 N ATOM 491 CA GLN A 31 -6.644 -3.751 -7.299 1.00 8.67 C ATOM 492 C GLN A 31 -6.655 -5.110 -8.090 1.00 10.90 C ATOM 493 O GLN A 31 -7.614 -5.911 -8.121 1.00 9.63 O ATOM 494 CB GLN A 31 -6.807 -2.572 -8.316 1.00 9.12 C ATOM 495 CG GLN A 31 -8.079 -2.738 -9.160 1.00 10.76 C ATOM 496 CD GLN A 31 -8.153 -1.428 -10.080 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.047 -0.975 -10.688 1.00 14.48 O flip ATOM 498 NE2 GLN A 31 -9.251 -0.994 -10.374 1.00 14.76 N flip ATOM 0 H GLN A 31 -4.822 -2.861 -6.815 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.477 -3.724 -6.596 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.846 -1.626 -7.776 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.936 -2.530 -8.970 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.033 -3.642 -9.767 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.962 -2.824 -8.527 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.083 -1.349 -9.902 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.340 -0.275 -11.092 1.00 14.76 H new ATOM 507 N ASP A 32 -5.504 -5.409 -8.690 1.00 10.93 N ATOM 508 CA ASP A 32 -5.312 -6.635 -9.479 1.00 14.01 C ATOM 509 C ASP A 32 -5.475 -7.865 -8.639 1.00 14.04 C ATOM 510 O ASP A 32 -6.117 -8.847 -9.043 1.00 13.39 O ATOM 511 CB ASP A 32 -3.930 -6.583 -10.161 1.00 18.01 C ATOM 512 CG ASP A 32 -3.706 -7.730 -11.199 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.529 -7.956 -12.104 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.657 -8.394 -11.107 1.00 25.17 O ATOM 0 H ASP A 32 -4.677 -4.813 -8.646 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.083 -6.690 -10.248 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.817 -5.622 -10.663 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.154 -6.637 -9.397 1.00 18.01 H new ATOM 519 N LYS A 33 -4.800 -7.868 -7.449 1.00 14.22 N ATOM 520 CA LYS A 33 -4.876 -8.901 -6.462 1.00 14.00 C ATOM 521 C LYS A 33 -6.214 -9.066 -5.763 1.00 12.37 C ATOM 522 O LYS A 33 -6.822 -10.114 -5.800 1.00 12.17 O ATOM 523 CB LYS A 33 -3.742 -8.723 -5.393 1.00 18.62 C ATOM 524 CG LYS A 33 -3.668 -9.800 -4.304 1.00 24.00 C ATOM 525 CD LYS A 33 -2.270 -9.959 -3.721 1.00 27.61 C ATOM 526 CE LYS A 33 -1.101 -10.329 -4.680 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.174 -11.762 -5.149 1.00 30.06 N ATOM 0 H LYS A 33 -4.176 -7.108 -7.177 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.743 -9.820 -7.033 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.784 -8.692 -5.911 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.874 -7.755 -4.910 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.363 -9.548 -3.503 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.993 -10.753 -4.720 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.009 -9.023 -3.227 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.319 -10.725 -2.948 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.120 -9.665 -5.544 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.151 -10.164 -4.172 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.375 -11.960 -5.785 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.130 -12.399 -4.328 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.068 -11.916 -5.658 1.00 30.06 H new ATOM 541 N GLU A 34 -6.833 -8.021 -5.238 1.00 10.11 N ATOM 542 CA GLU A 34 -7.973 -8.152 -4.279 1.00 10.07 C ATOM 543 C GLU A 34 -9.209 -7.488 -4.749 1.00 9.32 C ATOM 544 O GLU A 34 -10.227 -7.687 -4.122 1.00 11.61 O ATOM 545 CB GLU A 34 -7.558 -7.506 -2.960 1.00 14.77 C ATOM 546 CG GLU A 34 -6.584 -8.223 -2.052 1.00 18.75 C ATOM 547 CD GLU A 34 -7.133 -9.555 -1.647 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.214 -9.574 -0.972 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.547 -10.626 -2.062 1.00 21.95 O ATOM 0 H GLU A 34 -6.579 -7.056 -5.448 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.193 -9.214 -4.174 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.129 -6.532 -3.195 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.466 -7.324 -2.386 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.630 -8.356 -2.563 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.390 -7.618 -1.166 1.00 18.75 H new ATOM 556 N GLY A 35 -9.187 -6.730 -5.878 1.00 7.22 N ATOM 557 CA GLY A 35 -10.411 -6.218 -6.507 1.00 6.29 C ATOM 558 C GLY A 35 -10.895 -4.941 -5.884 1.00 6.93 C ATOM 559 O GLY A 35 -11.942 -4.400 -6.318 1.00 7.41 O ATOM 0 H GLY A 35 -8.329 -6.466 -6.363 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.226 -6.052 -7.568 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.194 -6.972 -6.434 1.00 6.29 H new ATOM 563 N ILE A 36 -10.118 -4.319 -4.961 1.00 5.86 N ATOM 564 CA ILE A 36 -10.357 -3.059 -4.322 1.00 6.07 C ATOM 565 C ILE A 36 -9.808 -2.016 -5.275 1.00 6.36 C ATOM 566 O ILE A 36 -8.631 -2.035 -5.671 1.00 6.18 O ATOM 567 CB ILE A 36 -9.708 -2.902 -2.959 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.071 -4.034 -1.944 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.960 -1.526 -2.362 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.856 -4.449 -1.101 1.00 9.49 C ATOM 0 H ILE A 36 -9.248 -4.743 -4.640 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.425 -2.961 -4.125 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.639 -3.002 -3.145 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.870 -3.692 -1.287 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.452 -4.900 -2.485 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.477 -1.458 -1.387 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.551 -0.762 -3.023 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.033 -1.370 -2.247 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.147 -5.238 -0.407 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.066 -4.816 -1.757 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.491 -3.589 -0.540 1.00 9.49 H new ATOM 582 N PRO A 37 -10.553 -1.047 -5.819 1.00 8.65 N ATOM 583 CA PRO A 37 -9.982 0.042 -6.630 1.00 9.18 C ATOM 584 C PRO A 37 -8.818 0.813 -5.969 1.00 9.85 C ATOM 585 O PRO A 37 -8.683 0.805 -4.765 1.00 8.51 O ATOM 586 CB PRO A 37 -11.159 1.036 -6.768 1.00 11.42 C ATOM 587 CG PRO A 37 -12.345 0.096 -6.747 1.00 9.27 C ATOM 588 CD PRO A 37 -11.919 -0.945 -5.598 1.00 8.33 C ATOM 0 HA PRO A 37 -9.573 -0.375 -7.550 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.189 1.754 -5.948 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.106 1.610 -7.693 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.273 0.614 -6.506 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.495 -0.395 -7.709 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.148 -0.572 -4.600 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.426 -1.904 -5.704 1.00 8.33 H new ATOM 596 N PRO A 38 -7.912 1.444 -6.723 1.00 8.71 N ATOM 597 CA PRO A 38 -6.779 2.103 -6.137 1.00 9.08 C ATOM 598 C PRO A 38 -7.189 3.430 -5.517 1.00 9.28 C ATOM 599 O PRO A 38 -6.353 4.040 -4.926 1.00 6.50 O ATOM 600 CB PRO A 38 -5.918 2.289 -7.436 1.00 10.31 C ATOM 601 CG PRO A 38 -6.894 2.517 -8.533 1.00 10.81 C ATOM 602 CD PRO A 38 -8.020 1.602 -8.184 1.00 12.00 C ATOM 0 HA PRO A 38 -6.277 1.580 -5.323 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.236 3.133 -7.337 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.308 1.407 -7.631 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.218 3.557 -8.574 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.468 2.278 -9.507 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.982 2.027 -8.469 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.930 0.644 -8.697 1.00 12.00 H new ATOM 610 N ASP A 39 -8.422 3.902 -5.756 1.00 11.20 N ATOM 611 CA ASP A 39 -8.897 5.169 -5.217 1.00 14.96 C ATOM 612 C ASP A 39 -9.771 4.906 -4.032 1.00 13.99 C ATOM 613 O ASP A 39 -10.436 5.770 -3.480 1.00 13.75 O ATOM 614 CB ASP A 39 -9.640 6.010 -6.302 1.00 24.16 C ATOM 615 CG ASP A 39 -8.763 6.333 -7.476 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.865 7.211 -7.263 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.067 5.942 -8.624 1.00 35.55 O ATOM 0 H ASP A 39 -9.110 3.412 -6.328 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.039 5.761 -4.898 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.516 5.460 -6.647 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.000 6.937 -5.856 1.00 24.16 H new ATOM 622 N GLN A 40 -9.869 3.626 -3.608 1.00 11.60 N ATOM 623 CA GLN A 40 -10.640 3.249 -2.373 1.00 10.76 C ATOM 624 C GLN A 40 -9.733 2.932 -1.238 1.00 8.01 C ATOM 625 O GLN A 40 -10.150 2.826 -0.101 1.00 8.96 O ATOM 626 CB GLN A 40 -11.580 2.053 -2.606 1.00 11.14 C ATOM 627 CG GLN A 40 -12.822 2.168 -1.697 1.00 14.85 C ATOM 628 CD GLN A 40 -13.431 0.784 -1.534 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.267 -0.118 -2.307 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.131 0.559 -0.380 1.00 18.16 N ATOM 0 H GLN A 40 -9.435 2.837 -4.086 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.244 4.122 -2.126 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.887 2.020 -3.651 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.054 1.121 -2.399 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.544 2.576 -0.725 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.549 2.853 -2.134 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.276 1.319 0.285 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.507 -0.369 -0.184 1.00 18.16 H new ATOM 639 N GLN A 41 -8.397 2.967 -1.478 1.00 6.52 N ATOM 640 CA GLN A 41 -7.460 2.514 -0.490 1.00 3.87 C ATOM 641 C GLN A 41 -6.564 3.648 0.072 1.00 4.79 C ATOM 642 O GLN A 41 -6.063 4.557 -0.622 1.00 6.34 O ATOM 643 CB GLN A 41 -6.469 1.701 -1.242 1.00 4.20 C ATOM 644 CG GLN A 41 -6.951 0.335 -1.714 1.00 3.20 C ATOM 645 CD GLN A 41 -5.956 -0.366 -2.604 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.760 -0.529 -2.244 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.396 -0.892 -3.790 1.00 7.13 N ATOM 0 H GLN A 41 -7.976 3.304 -2.344 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.027 2.035 0.308 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.145 2.272 -2.113 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.592 1.557 -0.611 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.158 -0.291 -0.846 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.891 0.454 -2.253 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.365 -0.758 -4.079 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.755 -1.417 -4.384 1.00 7.13 H new ATOM 656 N ARG A 42 -6.360 3.522 1.401 1.00 5.73 N ATOM 657 CA ARG A 42 -5.352 4.247 2.094 1.00 6.97 C ATOM 658 C ARG A 42 -4.348 3.276 2.624 1.00 7.15 C ATOM 659 O ARG A 42 -4.651 2.294 3.256 1.00 7.33 O ATOM 660 CB ARG A 42 -5.980 5.163 3.233 1.00 13.23 C ATOM 661 CG ARG A 42 -6.962 6.234 2.737 1.00 21.27 C ATOM 662 CD ARG A 42 -6.627 7.646 3.305 1.00 26.14 C ATOM 663 NE ARG A 42 -7.470 8.630 2.563 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.587 9.186 3.075 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.365 8.565 3.974 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.137 10.316 2.561 1.00 36.39 N ATOM 0 H ARG A 42 -6.909 2.903 1.998 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.847 4.930 1.411 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.495 4.523 3.950 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.170 5.656 3.770 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.941 6.268 1.648 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.976 5.958 3.028 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.835 7.690 4.374 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.568 7.872 3.176 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.186 8.895 1.620 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.121 7.630 4.300 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.201 9.028 4.332 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.704 10.775 1.759 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.983 10.706 2.976 1.00 36.39 H new ATOM 680 N LEU A 43 -3.063 3.605 2.399 1.00 4.65 N ATOM 681 CA LEU A 43 -1.943 2.795 2.965 1.00 3.51 C ATOM 682 C LEU A 43 -1.200 3.473 4.089 1.00 5.56 C ATOM 683 O LEU A 43 -0.836 4.660 3.966 1.00 4.19 O ATOM 684 CB LEU A 43 -0.901 2.429 1.874 1.00 3.74 C ATOM 685 CG LEU A 43 -1.473 1.639 0.732 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.434 1.593 -0.444 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.063 0.289 1.124 1.00 6.41 C ATOM 0 H LEU A 43 -2.767 4.407 1.843 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.431 1.904 3.361 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.459 3.346 1.484 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.095 1.856 2.332 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.357 2.163 0.370 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.848 1.020 -1.273 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.216 2.608 -0.777 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.485 1.119 -0.099 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.452 -0.210 0.236 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.288 -0.329 1.577 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.872 0.439 1.839 1.00 6.41 H new ATOM 699 N ILE A 44 -0.905 2.815 5.227 1.00 4.58 N ATOM 700 CA ILE A 44 -0.216 3.366 6.359 1.00 5.55 C ATOM 701 C ILE A 44 1.045 2.533 6.635 1.00 5.46 C ATOM 702 O ILE A 44 1.020 1.276 6.638 1.00 6.04 O ATOM 703 CB ILE A 44 -1.047 3.409 7.595 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.081 4.532 7.477 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.137 3.786 8.815 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.369 4.165 6.840 1.00 13.90 C ATOM 0 H ILE A 44 -1.163 1.838 5.366 1.00 4.58 H new ATOM 0 HA ILE A 44 0.033 4.396 6.106 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.523 2.437 7.727 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.289 4.914 8.476 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.637 5.349 6.909 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.740 3.819 9.722 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.648 3.038 8.928 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.315 4.763 8.644 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.022 5.037 6.811 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.186 3.815 5.824 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.847 3.373 7.416 1.00 13.90 H new ATOM 718 N PHE A 45 2.206 3.179 6.789 1.00 6.75 N ATOM 719 CA PHE A 45 3.405 2.416 7.232 1.00 4.70 C ATOM 720 C PHE A 45 4.319 3.368 8.070 1.00 6.34 C ATOM 721 O PHE A 45 4.450 4.515 7.710 1.00 5.45 O ATOM 722 CB PHE A 45 4.118 1.628 6.079 1.00 5.51 C ATOM 723 CG PHE A 45 5.464 1.080 6.418 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.553 -0.019 7.243 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.611 1.625 5.880 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.779 -0.410 7.680 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.865 1.158 6.287 1.00 6.64 C ATOM 728 CZ PHE A 45 7.988 0.166 7.243 1.00 6.84 C ATOM 0 H PHE A 45 2.352 4.175 6.627 1.00 6.75 H new ATOM 0 HA PHE A 45 3.097 1.601 7.886 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.475 0.803 5.773 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.219 2.289 5.218 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.666 -0.560 7.537 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.541 2.413 5.144 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.829 -1.209 8.405 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.756 1.581 5.846 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.947 -0.146 7.629 1.00 6.84 H new ATOM 738 N ALA A 46 4.825 2.860 9.168 1.00 6.53 N ATOM 739 CA ALA A 46 5.675 3.541 10.136 1.00 7.15 C ATOM 740 C ALA A 46 5.008 4.623 10.970 1.00 9.00 C ATOM 741 O ALA A 46 5.595 5.613 11.395 1.00 11.15 O ATOM 742 CB ALA A 46 7.029 4.128 9.529 1.00 8.99 C ATOM 0 H ALA A 46 4.645 1.892 9.434 1.00 6.53 H new ATOM 0 HA ALA A 46 5.909 2.714 10.806 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.599 4.617 10.318 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.620 3.316 9.105 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.794 4.852 8.749 1.00 8.99 H new ATOM 748 N GLY A 47 3.684 4.477 11.073 1.00 9.35 N ATOM 749 CA GLY A 47 2.696 5.396 11.575 1.00 11.68 C ATOM 750 C GLY A 47 2.330 6.517 10.588 1.00 11.14 C ATOM 751 O GLY A 47 1.437 7.278 10.827 1.00 13.93 O ATOM 0 H GLY A 47 3.244 3.609 10.768 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.793 4.841 11.830 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.066 5.844 12.497 1.00 11.68 H new ATOM 755 N LYS A 48 2.939 6.556 9.421 1.00 10.47 N ATOM 756 CA LYS A 48 2.694 7.518 8.463 1.00 8.82 C ATOM 757 C LYS A 48 1.786 7.003 7.372 1.00 7.68 C ATOM 758 O LYS A 48 2.038 5.932 6.822 1.00 6.47 O ATOM 759 CB LYS A 48 4.011 8.060 7.735 1.00 9.74 C ATOM 760 CG LYS A 48 5.201 8.618 8.579 1.00 14.14 C ATOM 761 CD LYS A 48 6.365 8.900 7.612 1.00 16.32 C ATOM 762 CE LYS A 48 7.615 9.158 8.429 1.00 20.04 C ATOM 763 NZ LYS A 48 8.696 9.429 7.484 1.00 23.92 N ATOM 0 H LYS A 48 3.641 5.872 9.139 1.00 10.47 H new ATOM 0 HA LYS A 48 2.230 8.330 9.024 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.401 7.246 7.125 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.701 8.850 7.052 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.907 9.529 9.100 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.501 7.898 9.340 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.517 8.052 6.944 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.137 9.762 6.985 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.469 10.004 9.100 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.854 8.295 9.051 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.576 9.612 8.007 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.828 8.606 6.862 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.455 10.262 6.910 1.00 23.92 H new ATOM 777 N GLN A 49 0.778 7.731 7.038 1.00 8.89 N ATOM 778 CA GLN A 49 -0.015 7.622 5.847 1.00 7.18 C ATOM 779 C GLN A 49 0.766 7.873 4.564 1.00 8.23 C ATOM 780 O GLN A 49 1.502 8.859 4.514 1.00 9.70 O ATOM 781 CB GLN A 49 -1.339 8.423 6.012 1.00 11.67 C ATOM 782 CG GLN A 49 -2.524 7.865 5.193 1.00 15.82 C ATOM 783 CD GLN A 49 -3.730 8.738 5.378 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.588 8.467 6.172 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.691 9.870 4.654 1.00 20.67 N ATOM 0 H GLN A 49 0.453 8.487 7.640 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.311 6.581 5.718 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.614 8.434 7.067 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.164 9.458 5.717 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.257 7.818 4.137 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.749 6.847 5.511 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.927 10.029 3.997 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.425 10.570 4.761 1.00 20.67 H new ATOM 794 N LEU A 50 0.625 7.001 3.567 1.00 6.51 N ATOM 795 CA LEU A 50 1.508 6.953 2.411 1.00 7.41 C ATOM 796 C LEU A 50 0.875 7.688 1.267 1.00 8.27 C ATOM 797 O LEU A 50 -0.224 7.392 0.761 1.00 8.34 O ATOM 798 CB LEU A 50 1.890 5.504 1.927 1.00 7.13 C ATOM 799 CG LEU A 50 2.547 4.624 3.066 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.821 3.175 2.634 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.641 5.274 3.827 1.00 9.11 C ATOM 0 H LEU A 50 -0.116 6.301 3.542 1.00 6.51 H new ATOM 0 HA LEU A 50 2.436 7.422 2.737 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.995 5.002 1.559 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.582 5.578 1.088 1.00 7.13 H new ATOM 0 HG LEU A 50 1.768 4.544 3.824 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.272 2.628 3.462 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.884 2.697 2.350 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.502 3.172 1.783 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.019 4.584 4.581 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.448 5.544 3.145 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.261 6.172 4.314 1.00 9.11 H new ATOM 813 N GLU A 51 1.536 8.753 0.856 1.00 9.43 N ATOM 814 CA GLU A 51 1.030 9.668 -0.192 1.00 11.90 C ATOM 815 C GLU A 51 1.304 9.156 -1.626 1.00 11.49 C ATOM 816 O GLU A 51 2.443 8.931 -2.068 1.00 9.88 O ATOM 817 CB GLU A 51 1.395 11.183 0.008 1.00 16.56 C ATOM 818 CG GLU A 51 0.760 12.108 -1.059 1.00 26.06 C ATOM 819 CD GLU A 51 1.241 13.497 -0.873 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.331 13.751 -1.426 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.677 14.441 -0.205 1.00 33.44 O ATOM 0 H GLU A 51 2.445 9.024 1.231 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.052 9.646 -0.060 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.067 11.502 0.998 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.479 11.296 -0.021 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.017 11.756 -2.058 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.327 12.077 -0.980 1.00 26.06 H new ATOM 828 N ASP A 52 0.247 8.796 -2.380 1.00 12.71 N ATOM 829 CA ASP A 52 0.136 8.145 -3.694 1.00 16.56 C ATOM 830 C ASP A 52 1.324 8.287 -4.646 1.00 15.83 C ATOM 831 O ASP A 52 1.952 7.361 -5.144 1.00 17.21 O ATOM 832 CB ASP A 52 -1.192 8.497 -4.379 1.00 21.05 C ATOM 833 CG ASP A 52 -2.383 7.969 -3.591 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.578 8.467 -2.454 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.196 7.248 -4.159 1.00 28.37 O ATOM 0 H ASP A 52 -0.689 8.987 -2.021 1.00 12.71 H new ATOM 0 HA ASP A 52 0.153 7.083 -3.450 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.274 9.579 -4.483 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.206 8.079 -5.385 1.00 21.05 H new ATOM 840 N GLY A 53 1.696 9.539 -4.908 1.00 15.00 N ATOM 841 CA GLY A 53 2.662 9.976 -5.888 1.00 11.77 C ATOM 842 C GLY A 53 4.111 9.744 -5.566 1.00 11.10 C ATOM 843 O GLY A 53 4.935 9.867 -6.454 1.00 11.25 O ATOM 0 H GLY A 53 1.294 10.325 -4.397 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.440 9.475 -6.830 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.518 11.044 -6.053 1.00 11.77 H new ATOM 847 N ARG A 54 4.409 9.279 -4.366 1.00 8.53 N ATOM 848 CA ARG A 54 5.809 9.166 -3.944 1.00 9.05 C ATOM 849 C ARG A 54 6.320 7.775 -4.171 1.00 8.96 C ATOM 850 O ARG A 54 5.527 6.844 -4.345 1.00 11.60 O ATOM 851 CB ARG A 54 5.991 9.594 -2.499 1.00 7.97 C ATOM 852 CG ARG A 54 5.329 10.950 -2.198 1.00 9.62 C ATOM 853 CD ARG A 54 5.582 11.467 -0.747 1.00 12.20 C ATOM 854 NE ARG A 54 4.755 12.672 -0.547 1.00 18.23 N ATOM 855 CZ ARG A 54 4.984 13.582 0.441 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.147 13.661 1.118 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.050 14.432 0.737 1.00 23.38 N ATOM 0 H ARG A 54 3.723 8.977 -3.674 1.00 8.53 H new ATOM 0 HA ARG A 54 6.400 9.846 -4.557 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.569 8.833 -1.842 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.056 9.655 -2.273 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.700 11.690 -2.907 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.255 10.863 -2.361 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.322 10.700 -0.017 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.637 11.700 -0.603 1.00 12.20 H new ATOM 0 HE ARG A 54 3.972 12.832 -1.181 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.909 13.019 0.899 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.265 14.362 1.849 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.163 14.411 0.233 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.202 15.121 1.474 1.00 23.38 H new ATOM 871 N THR A 55 7.659 7.559 -4.347 1.00 9.05 N ATOM 872 CA THR A 55 8.192 6.227 -4.494 1.00 9.03 C ATOM 873 C THR A 55 8.418 5.469 -3.167 1.00 8.15 C ATOM 874 O THR A 55 8.634 6.019 -2.114 1.00 5.91 O ATOM 875 CB THR A 55 9.444 5.982 -5.314 1.00 11.15 C ATOM 876 OG1 THR A 55 10.543 6.642 -4.743 1.00 11.95 O ATOM 877 CG2 THR A 55 9.180 6.604 -6.737 1.00 11.71 C ATOM 0 H THR A 55 8.357 8.301 -4.386 1.00 9.05 H new ATOM 0 HA THR A 55 7.353 5.849 -5.079 1.00 9.03 H new ATOM 0 HB THR A 55 9.662 4.915 -5.360 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.343 6.472 -5.283 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.056 6.453 -7.368 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.317 6.118 -7.192 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.984 7.672 -6.637 1.00 11.71 H new ATOM 885 N LEU A 56 8.440 4.086 -3.241 1.00 6.91 N ATOM 886 CA LEU A 56 8.657 3.204 -2.061 1.00 8.29 C ATOM 887 C LEU A 56 9.926 3.437 -1.231 1.00 8.05 C ATOM 888 O LEU A 56 9.924 3.441 0.030 1.00 10.17 O ATOM 889 CB LEU A 56 8.644 1.702 -2.448 1.00 6.60 C ATOM 890 CG LEU A 56 7.209 1.104 -2.649 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.300 -0.162 -3.564 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.539 0.627 -1.360 1.00 8.64 C ATOM 0 H LEU A 56 8.308 3.574 -4.113 1.00 6.91 H new ATOM 0 HA LEU A 56 7.812 3.485 -1.432 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.213 1.570 -3.368 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.157 1.134 -1.672 1.00 6.60 H new ATOM 0 HG LEU A 56 6.620 1.917 -3.074 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.304 -0.581 -3.706 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.717 0.117 -4.531 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.942 -0.906 -3.093 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.551 0.228 -1.590 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.147 -0.152 -0.901 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.441 1.465 -0.669 1.00 8.64 H new ATOM 904 N SER A 57 11.068 3.670 -1.938 1.00 8.92 N ATOM 905 CA SER A 57 12.328 3.992 -1.270 1.00 9.00 C ATOM 906 C SER A 57 12.280 5.306 -0.522 1.00 9.44 C ATOM 907 O SER A 57 12.904 5.512 0.520 1.00 10.91 O ATOM 908 CB SER A 57 13.551 4.047 -2.248 1.00 10.32 C ATOM 909 OG SER A 57 13.427 5.041 -3.229 1.00 13.59 O ATOM 0 H SER A 57 11.126 3.638 -2.956 1.00 8.92 H new ATOM 0 HA SER A 57 12.464 3.171 -0.566 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.460 4.224 -1.673 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.664 3.078 -2.734 1.00 10.32 H new ATOM 0 HG SER A 57 14.218 5.030 -3.808 1.00 13.59 H new ATOM 915 N ASP A 58 11.418 6.290 -0.938 1.00 9.11 N ATOM 916 CA ASP A 58 11.341 7.625 -0.299 1.00 7.91 C ATOM 917 C ASP A 58 10.720 7.493 1.089 1.00 9.12 C ATOM 918 O ASP A 58 11.194 7.994 2.098 1.00 8.61 O ATOM 919 CB ASP A 58 10.482 8.569 -1.183 1.00 8.41 C ATOM 920 CG ASP A 58 10.795 10.046 -0.990 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.668 10.466 -0.246 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.115 10.917 -1.602 1.00 10.05 O ATOM 0 H ASP A 58 10.770 6.171 -1.717 1.00 9.11 H new ATOM 0 HA ASP A 58 12.343 8.043 -0.198 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.634 8.309 -2.230 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.428 8.399 -0.962 1.00 8.41 H new ATOM 927 N TYR A 59 9.761 6.551 1.197 1.00 7.97 N ATOM 928 CA TYR A 59 9.063 6.198 2.408 1.00 8.45 C ATOM 929 C TYR A 59 9.729 5.158 3.356 1.00 10.98 C ATOM 930 O TYR A 59 9.296 4.875 4.428 1.00 12.95 O ATOM 931 CB TYR A 59 7.607 5.842 2.052 1.00 7.94 C ATOM 932 CG TYR A 59 6.661 7.045 2.050 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.609 7.863 3.199 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.874 7.292 0.914 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.569 8.844 3.309 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.901 8.309 1.003 1.00 6.52 C ATOM 937 CZ TYR A 59 4.720 8.993 2.161 1.00 6.76 C ATOM 938 OH TYR A 59 3.725 9.988 2.158 1.00 7.63 O ATOM 0 H TYR A 59 9.452 6.002 0.395 1.00 7.97 H new ATOM 0 HA TYR A 59 9.108 7.087 3.036 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.587 5.374 1.068 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.239 5.103 2.764 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.342 7.752 3.984 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.009 6.724 0.005 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.433 9.436 4.202 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.294 8.546 0.141 1.00 6.52 H new ATOM 0 HH TYR A 59 4.094 10.819 1.792 1.00 7.63 H new ATOM 948 N ASN A 60 10.805 4.596 2.804 1.00 12.38 N ATOM 949 CA ASN A 60 11.819 3.817 3.476 1.00 13.94 C ATOM 950 C ASN A 60 11.417 2.306 3.519 1.00 14.16 C ATOM 951 O ASN A 60 11.795 1.628 4.471 1.00 14.26 O ATOM 952 CB ASN A 60 12.196 4.312 4.872 1.00 19.23 C ATOM 953 CG ASN A 60 12.734 5.725 4.881 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.027 6.651 5.270 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.985 5.945 4.383 1.00 24.09 N ATOM 0 H ASN A 60 10.994 4.686 1.806 1.00 12.38 H new ATOM 0 HA ASN A 60 12.719 3.947 2.875 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.319 4.261 5.517 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.944 3.643 5.297 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.352 6.895 4.328 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.553 5.159 4.066 1.00 24.09 H new ATOM 962 N ILE A 61 10.675 1.773 2.559 1.00 11.08 N ATOM 963 CA ILE A 61 10.062 0.467 2.632 1.00 11.78 C ATOM 964 C ILE A 61 11.000 -0.530 1.971 1.00 13.74 C ATOM 965 O ILE A 61 11.398 -0.367 0.828 1.00 14.60 O ATOM 966 CB ILE A 61 8.668 0.520 1.900 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.686 1.420 2.722 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.175 -0.948 1.804 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.444 1.940 1.944 1.00 11.42 C ATOM 0 H ILE A 61 10.481 2.258 1.683 1.00 11.08 H new ATOM 0 HA ILE A 61 9.892 0.161 3.664 1.00 11.78 H new ATOM 0 HB ILE A 61 8.733 0.955 0.903 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.340 0.854 3.587 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.240 2.278 3.103 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.207 -0.975 1.303 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.895 -1.537 1.235 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.076 -1.365 2.806 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.831 2.552 2.605 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.772 2.539 1.094 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.858 1.093 1.586 1.00 11.42 H new ATOM 981 N GLN A 62 11.255 -1.621 2.716 1.00 13.97 N ATOM 982 CA GLN A 62 12.169 -2.708 2.412 1.00 15.52 C ATOM 983 C GLN A 62 11.520 -4.026 2.167 1.00 13.94 C ATOM 984 O GLN A 62 10.367 -4.310 2.465 1.00 12.15 O ATOM 985 CB GLN A 62 13.161 -2.934 3.575 1.00 19.53 C ATOM 986 CG GLN A 62 14.027 -1.657 3.801 1.00 26.38 C ATOM 987 CD GLN A 62 14.926 -1.894 4.936 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.632 -1.548 6.081 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.071 -2.552 4.713 1.00 32.71 N ATOM 0 H GLN A 62 10.786 -1.765 3.610 1.00 13.97 H new ATOM 0 HA GLN A 62 12.656 -2.382 1.493 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.615 -3.178 4.486 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.805 -3.785 3.353 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.603 -1.427 2.904 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.388 -0.797 3.999 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.318 -2.840 3.766 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.696 -2.765 5.490 1.00 32.71 H new ATOM 998 N LYS A 63 12.253 -5.020 1.614 1.00 11.73 N ATOM 999 CA LYS A 63 11.807 -6.419 1.438 1.00 11.97 C ATOM 1000 C LYS A 63 11.349 -7.128 2.703 1.00 10.41 C ATOM 1001 O LYS A 63 11.991 -7.029 3.747 1.00 9.59 O ATOM 1002 CB LYS A 63 12.845 -7.321 0.697 1.00 13.73 C ATOM 1003 CG LYS A 63 14.211 -7.476 1.465 1.00 16.98 C ATOM 1004 CD LYS A 63 15.005 -8.689 0.917 1.00 20.19 C ATOM 1005 CE LYS A 63 16.379 -8.598 1.502 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.168 -9.678 1.003 1.00 25.97 N ATOM 0 H LYS A 63 13.200 -4.864 1.268 1.00 11.73 H new ATOM 0 HA LYS A 63 10.927 -6.290 0.808 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.411 -8.309 0.543 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.039 -6.901 -0.290 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.802 -6.567 1.355 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.023 -7.608 2.531 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.525 -9.626 1.199 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.045 -8.666 -0.172 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.837 -7.644 1.240 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.329 -8.640 2.590 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.126 -9.623 1.405 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.730 -10.582 1.274 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.223 -9.617 -0.034 1.00 25.97 H new ATOM 1020 N GLU A 64 10.223 -7.772 2.618 1.00 10.04 N ATOM 1021 CA GLU A 64 9.666 -8.507 3.716 1.00 10.94 C ATOM 1022 C GLU A 64 9.306 -7.584 4.945 1.00 9.74 C ATOM 1023 O GLU A 64 9.263 -7.961 6.128 1.00 9.42 O ATOM 1024 CB GLU A 64 10.492 -9.701 4.301 1.00 18.31 C ATOM 1025 CG GLU A 64 10.809 -10.763 3.213 1.00 24.16 C ATOM 1026 CD GLU A 64 11.277 -12.152 3.728 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.509 -12.407 4.936 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.478 -13.093 2.863 1.00 32.61 O ATOM 0 H GLU A 64 9.656 -7.802 1.771 1.00 10.04 H new ATOM 0 HA GLU A 64 8.791 -8.932 3.224 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.423 -9.326 4.727 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.934 -10.167 5.114 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.917 -10.906 2.603 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.582 -10.362 2.557 1.00 24.16 H new ATOM 1035 N SER A 65 8.861 -6.352 4.568 1.00 6.85 N ATOM 1036 CA SER A 65 8.143 -5.349 5.373 1.00 6.90 C ATOM 1037 C SER A 65 6.652 -5.545 5.396 1.00 4.72 C ATOM 1038 O SER A 65 6.071 -6.056 4.479 1.00 3.91 O ATOM 1039 CB SER A 65 8.439 -3.926 4.865 1.00 7.28 C ATOM 1040 OG SER A 65 8.093 -2.878 5.747 1.00 10.56 O ATOM 0 H SER A 65 9.012 -6.018 3.616 1.00 6.85 H new ATOM 0 HA SER A 65 8.511 -5.482 6.390 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.504 -3.853 4.643 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.906 -3.777 3.926 1.00 7.28 H new ATOM 0 HG SER A 65 8.320 -2.017 5.337 1.00 10.56 H new ATOM 1046 N THR A 66 5.962 -5.098 6.524 1.00 4.48 N ATOM 1047 CA THR A 66 4.564 -5.358 6.751 1.00 3.80 C ATOM 1048 C THR A 66 3.851 -3.974 6.790 1.00 4.60 C ATOM 1049 O THR A 66 4.093 -3.214 7.733 1.00 5.33 O ATOM 1050 CB THR A 66 4.269 -6.104 8.076 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.914 -7.390 8.111 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.772 -6.383 8.140 1.00 3.40 C ATOM 0 H THR A 66 6.402 -4.555 7.267 1.00 4.48 H new ATOM 0 HA THR A 66 4.207 -6.008 5.952 1.00 3.80 H new ATOM 0 HB THR A 66 4.627 -5.484 8.898 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.710 -7.835 8.960 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.539 -6.909 9.066 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.225 -5.441 8.110 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.480 -6.999 7.290 1.00 3.40 H new ATOM 1060 N LEU A 67 2.936 -3.700 5.840 1.00 4.17 N ATOM 1061 CA LEU A 67 2.240 -2.469 5.591 1.00 3.85 C ATOM 1062 C LEU A 67 0.818 -2.647 5.987 1.00 3.80 C ATOM 1063 O LEU A 67 0.321 -3.770 6.092 1.00 5.54 O ATOM 1064 CB LEU A 67 2.338 -1.962 4.137 1.00 7.18 C ATOM 1065 CG LEU A 67 3.668 -2.065 3.393 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.498 -1.598 1.953 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.779 -1.324 4.063 1.00 11.66 C ATOM 0 H LEU A 67 2.654 -4.420 5.175 1.00 4.17 H new ATOM 0 HA LEU A 67 2.726 -1.698 6.189 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.594 -2.502 3.552 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.044 -0.912 4.136 1.00 7.18 H new ATOM 0 HG LEU A 67 3.956 -3.116 3.405 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.452 -1.675 1.431 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.758 -2.223 1.453 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.162 -0.561 1.944 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.695 -1.439 3.483 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.522 -0.267 4.131 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.932 -1.725 5.065 1.00 11.66 H new ATOM 1079 N HIS A 68 0.087 -1.582 6.227 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.278 -1.643 6.617 1.00 4.17 C ATOM 1081 C HIS A 68 -2.177 -0.991 5.591 1.00 5.32 C ATOM 1082 O HIS A 68 -1.762 -0.002 4.994 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.434 -0.950 7.968 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.379 -1.279 8.946 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.854 -0.629 8.984 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.374 -2.170 9.945 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.561 -1.197 9.968 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.853 -2.154 10.610 1.00 16.30 N ATOM 0 H HIS A 68 0.448 -0.631 6.151 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.575 -2.689 6.694 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.443 0.129 7.811 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.402 -1.219 8.391 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.159 0.133 8.378 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.204 -2.812 10.201 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.575 -0.924 10.219 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.357 -1.561 5.399 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.324 -1.138 4.407 1.00 3.97 C ATOM 1098 C LEU A 69 -5.534 -0.679 5.136 1.00 5.07 C ATOM 1099 O LEU A 69 -5.926 -1.334 6.107 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.768 -2.339 3.564 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.759 -2.192 2.329 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.154 -1.258 1.218 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.964 -3.543 1.632 1.00 9.96 C ATOM 0 H LEU A 69 -3.675 -2.358 5.950 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.884 -0.366 3.776 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.860 -2.806 3.182 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.227 -3.050 4.251 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.686 -1.790 2.737 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.856 -1.178 0.388 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.971 -0.268 1.635 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.215 -1.680 0.860 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.645 -3.419 0.790 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.005 -3.915 1.271 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.387 -4.257 2.339 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.101 0.415 4.747 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.298 1.009 5.295 1.00 6.26 C ATOM 1117 C VAL A 70 -8.148 1.366 4.077 1.00 9.22 C ATOM 1118 O VAL A 70 -7.584 1.734 3.038 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.971 2.236 6.206 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.230 2.921 6.587 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.191 1.773 7.440 1.00 8.54 C ATOM 0 H VAL A 70 -5.718 0.967 3.979 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.836 0.331 5.958 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.348 2.946 5.662 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.001 3.777 7.222 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.744 3.263 5.689 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.872 2.227 7.130 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.966 2.632 8.072 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.791 1.057 8.002 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.261 1.300 7.126 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.448 1.206 4.171 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.364 1.386 3.028 1.00 16.06 C ATOM 1133 C LEU A 71 -11.263 2.561 3.356 1.00 18.09 C ATOM 1134 O LEU A 71 -11.576 2.729 4.517 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.171 0.102 2.704 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.286 -1.173 2.330 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.204 -2.344 1.976 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.352 -0.805 1.164 1.00 19.57 C ATOM 0 H LEU A 71 -9.918 0.946 5.038 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.793 1.588 2.122 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.793 -0.145 3.564 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.845 0.314 1.874 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.672 -1.478 3.177 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.601 -3.215 1.720 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.838 -2.580 2.830 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.828 -2.073 1.125 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.742 -1.669 0.900 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.947 -0.504 0.302 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.704 0.019 1.463 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.664 3.345 2.330 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.561 4.484 2.386 1.00 25.83 C ATOM 1152 C ARG A 72 -13.983 4.049 2.034 1.00 27.74 C ATOM 1153 O ARG A 72 -14.172 2.963 1.424 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.189 5.585 1.351 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.875 6.195 1.675 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.178 6.868 0.516 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.849 8.158 0.294 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.430 9.107 -0.539 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.235 9.050 -1.059 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.324 10.041 -0.959 1.00 35.02 N ATOM 0 H ARG A 72 -11.336 3.172 1.380 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.482 4.877 3.400 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.157 5.153 0.351 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.960 6.356 1.341 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.018 6.929 2.468 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.220 5.420 2.072 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.121 7.017 0.737 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.232 6.247 -0.378 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.704 8.339 0.821 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.615 8.274 -0.828 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.921 9.781 -1.697 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.291 10.004 -0.635 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.028 10.779 -1.598 1.00 35.02 H new ATOM 1174 N LEU A 73 -15.032 4.786 2.448 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.334 4.556 1.967 1.00 30.76 C ATOM 1176 C LEU A 73 -16.628 5.083 0.606 1.00 32.18 C ATOM 1177 O LEU A 73 -16.043 6.002 0.089 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.175 5.377 2.924 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.965 5.127 4.401 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.992 5.992 5.175 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.187 3.677 4.851 1.00 29.11 C ATOM 0 H LEU A 73 -14.961 5.546 3.124 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.510 3.482 1.907 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.982 6.432 2.727 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.225 5.196 2.695 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.922 5.371 4.604 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.867 5.834 6.246 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.830 7.044 4.942 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -19.002 5.707 4.882 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.013 3.598 5.924 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.211 3.379 4.627 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.495 3.022 4.322 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.517 4.419 -0.022 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.621 4.463 -1.483 1.00 35.33 C ATOM 1195 C ARG A 74 -18.163 5.826 -1.996 1.00 36.22 C ATOM 1196 O ARG A 74 -18.068 6.144 -3.169 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.617 3.350 -2.043 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.174 1.820 -1.901 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.937 1.463 -2.717 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.712 0.021 -2.701 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.227 -0.593 -3.765 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.743 0.124 -4.744 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.127 -1.914 -3.816 1.00 41.93 N ATOM 0 H ARG A 74 -18.207 3.821 0.432 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.605 4.295 -1.839 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.575 3.471 -1.536 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.788 3.553 -3.100 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.981 1.603 -0.850 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.001 1.181 -2.212 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.060 1.806 -3.744 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.066 1.977 -2.311 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.931 -0.516 -1.862 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.744 1.142 -4.679 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.365 -0.334 -5.573 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.428 -2.479 -3.022 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.749 -2.365 -4.649 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.822 6.672 -1.238 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.356 7.964 -1.636 1.00 36.07 C ATOM 1219 C GLY A 75 -18.357 9.093 -1.667 1.00 36.16 C ATOM 1220 O GLY A 75 -18.650 10.136 -2.259 1.00 36.26 O ATOM 0 H GLY A 75 -19.015 6.465 -0.258 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.799 7.866 -2.627 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.161 8.232 -0.952 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.167 8.854 -1.143 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.126 9.798 -1.302 1.00 36.19 C ATOM 1226 C GLY A 76 -14.968 9.553 -0.320 1.00 36.20 C ATOM 1227 O GLY A 76 -15.141 9.729 0.910 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.818 9.224 -0.795 1.00 0.00 O ATOM 0 H GLY A 76 -16.920 8.018 -0.613 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.750 9.753 -2.324 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.522 10.802 -1.152 1.00 36.19 H new TER 1232 GLY A 76