USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.664 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.741 K(o=1.4,f=0.35) USER MOD Set 2.1: A 7 THR OG1 : rot 129:sc= 1.27 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 1 USER MOD Single : A 1 MET CE :methyl 170:sc= -0.369 (180deg=-0.452) USER MOD Single : A 1 MET N :NH3+ -163:sc= 2.51 (180deg=2.12) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 0.987 (180deg=-0.337!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= 1.15 (180deg=0.926) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.14 K(o=-0.14,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0719 (180deg=-0.244) USER MOD Single : A 40 GLN : amide:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.199 K(o=-0.2,f=-0.76) 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=-0.0042) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.594 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.566 USER MOD Single : A 60 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.6!) 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 HD1:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.130 -7.031 -5.508 1.00 9.67 N ATOM 2 CA MET A 1 11.093 -7.017 -4.062 1.00 10.38 C ATOM 3 C MET A 1 9.849 -7.494 -3.480 1.00 9.62 C ATOM 4 O MET A 1 8.788 -7.204 -3.998 1.00 9.62 O ATOM 5 CB MET A 1 11.497 -5.567 -3.576 1.00 13.77 C ATOM 6 CG MET A 1 11.708 -5.440 -2.068 1.00 16.29 C ATOM 7 SD MET A 1 12.538 -3.932 -1.612 1.00 17.17 S ATOM 8 CE MET A 1 10.895 -3.091 -1.607 1.00 16.11 C ATOM 0 H1 MET A 1 12.116 -6.958 -5.831 1.00 9.67 H new ATOM 0 H2 MET A 1 10.716 -7.919 -5.857 1.00 9.67 H new ATOM 0 H3 MET A 1 10.585 -6.226 -5.877 1.00 9.67 H new ATOM 0 HA MET A 1 11.816 -7.745 -3.695 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.414 -5.269 -4.085 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.721 -4.866 -3.882 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.742 -5.484 -1.566 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.290 -6.291 -1.714 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.997 -2.096 -1.174 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.527 -3.006 -2.629 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.190 -3.674 -1.014 1.00 16.11 H new ATOM 20 N GLN A 2 9.988 -8.263 -2.398 1.00 9.27 N ATOM 21 CA GLN A 2 8.856 -8.704 -1.572 1.00 9.07 C ATOM 22 C GLN A 2 8.438 -7.800 -0.332 1.00 8.72 C ATOM 23 O GLN A 2 9.280 -7.310 0.430 1.00 8.22 O ATOM 24 CB GLN A 2 9.150 -10.122 -1.128 1.00 14.46 C ATOM 25 CG GLN A 2 7.929 -10.837 -0.464 1.00 17.01 C ATOM 26 CD GLN A 2 8.279 -12.288 -0.047 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.111 -12.549 0.820 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.625 -13.256 -0.670 1.00 19.49 N ATOM 0 H GLN A 2 10.892 -8.600 -2.067 1.00 9.27 H new ATOM 0 HA GLN A 2 7.977 -8.619 -2.211 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.476 -10.704 -1.991 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.980 -10.108 -0.422 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.608 -10.273 0.412 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.090 -10.850 -1.160 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.937 -13.027 -1.387 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.809 -14.231 -0.432 1.00 19.49 H new ATOM 37 N ILE A 3 7.163 -7.568 -0.131 1.00 5.87 N ATOM 38 CA ILE A 3 6.651 -6.769 0.912 1.00 5.07 C ATOM 39 C ILE A 3 5.304 -7.493 1.274 1.00 4.01 C ATOM 40 O ILE A 3 4.784 -8.404 0.618 1.00 4.61 O ATOM 41 CB ILE A 3 6.248 -5.327 0.573 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.175 -5.245 -0.563 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.613 -4.583 0.273 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.958 -3.806 -1.024 1.00 10.83 C ATOM 0 H ILE A 3 6.435 -7.958 -0.729 1.00 5.87 H new ATOM 0 HA ILE A 3 7.433 -6.678 1.666 1.00 5.07 H new ATOM 0 HB ILE A 3 5.729 -4.834 1.395 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.492 -5.855 -1.409 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.233 -5.660 -0.206 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.412 -3.542 0.021 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.252 -4.626 1.155 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.116 -5.068 -0.564 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.207 -3.786 -1.813 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.617 -3.202 -0.183 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.895 -3.401 -1.405 1.00 10.83 H new ATOM 56 N PHE A 4 4.598 -7.055 2.330 1.00 4.55 N ATOM 57 CA PHE A 4 3.345 -7.587 2.794 1.00 4.68 C ATOM 58 C PHE A 4 2.318 -6.569 2.965 1.00 5.30 C ATOM 59 O PHE A 4 2.660 -5.396 3.258 1.00 5.58 O ATOM 60 CB PHE A 4 3.495 -8.222 4.225 1.00 4.83 C ATOM 61 CG PHE A 4 4.591 -9.275 4.200 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.404 -10.444 3.435 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.811 -9.125 4.893 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.393 -11.492 3.340 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.814 -10.106 4.803 1.00 10.61 C ATOM 66 CZ PHE A 4 6.586 -11.283 4.090 1.00 8.90 C ATOM 0 H PHE A 4 4.921 -6.275 2.902 1.00 4.55 H new ATOM 0 HA PHE A 4 3.061 -8.309 2.029 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.736 -7.449 4.954 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.552 -8.671 4.536 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.477 -10.562 2.894 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.976 -8.247 5.499 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.238 -12.376 2.740 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.766 -9.948 5.288 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.337 -12.059 4.107 1.00 8.90 H new ATOM 76 N VAL A 5 1.012 -6.900 2.873 1.00 4.44 N ATOM 77 CA VAL A 5 -0.092 -5.888 3.247 1.00 3.87 C ATOM 78 C VAL A 5 -0.986 -6.533 4.294 1.00 4.93 C ATOM 79 O VAL A 5 -1.465 -7.612 4.167 1.00 6.84 O ATOM 80 CB VAL A 5 -0.938 -5.481 2.039 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.853 -4.317 2.444 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.008 -5.010 0.862 1.00 9.13 C ATOM 0 H VAL A 5 0.670 -7.809 2.561 1.00 4.44 H new ATOM 0 HA VAL A 5 0.381 -4.983 3.629 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.535 -6.330 1.706 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.461 -4.018 1.590 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.503 -4.632 3.260 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.245 -3.473 2.770 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.597 -4.721 0.003 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.602 -4.157 1.191 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.672 -5.827 0.580 1.00 9.13 H new ATOM 92 N LYS A 6 -1.248 -5.801 5.384 1.00 6.04 N ATOM 93 CA LYS A 6 -2.369 -6.234 6.327 1.00 6.12 C ATOM 94 C LYS A 6 -3.642 -5.559 6.105 1.00 6.57 C ATOM 95 O LYS A 6 -3.628 -4.364 5.972 1.00 5.76 O ATOM 96 CB LYS A 6 -1.855 -5.805 7.675 1.00 7.45 C ATOM 97 CG LYS A 6 -0.626 -6.601 8.113 1.00 11.12 C ATOM 98 CD LYS A 6 -0.918 -8.070 8.551 1.00 14.54 C ATOM 99 CE LYS A 6 0.297 -8.696 9.195 1.00 18.84 C ATOM 100 NZ LYS A 6 0.044 -10.170 9.484 1.00 20.55 N ATOM 0 H LYS A 6 -0.752 -4.951 5.653 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.577 -7.296 6.197 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.605 -4.744 7.644 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.645 -5.925 8.416 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.090 -6.618 7.291 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.149 -6.078 8.942 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.753 -8.085 9.251 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.218 -8.659 7.684 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.160 -8.591 8.538 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.536 -8.173 10.121 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.953 -10.672 9.550 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.470 -10.264 10.383 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.523 -10.582 8.716 1.00 20.55 H new ATOM 114 N THR A 7 -4.755 -6.277 6.238 1.00 7.41 N ATOM 115 CA THR A 7 -6.060 -5.690 6.139 1.00 7.48 C ATOM 116 C THR A 7 -6.850 -5.830 7.409 1.00 8.75 C ATOM 117 O THR A 7 -6.546 -6.719 8.191 1.00 8.58 O ATOM 118 CB THR A 7 -6.930 -6.215 4.998 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.301 -7.564 5.211 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.184 -6.122 3.725 1.00 9.17 C ATOM 0 H THR A 7 -4.762 -7.281 6.417 1.00 7.41 H new ATOM 0 HA THR A 7 -5.831 -4.645 5.932 1.00 7.48 H new ATOM 0 HB THR A 7 -7.834 -5.607 4.958 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.272 -7.655 5.117 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.805 -6.497 2.911 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.922 -5.082 3.532 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.274 -6.719 3.792 1.00 9.17 H new ATOM 128 N LEU A 8 -8.009 -5.036 7.545 1.00 9.84 N ATOM 129 CA LEU A 8 -8.978 -5.184 8.666 1.00 14.15 C ATOM 130 C LEU A 8 -10.066 -6.262 8.391 1.00 17.37 C ATOM 131 O LEU A 8 -10.911 -6.472 9.265 1.00 17.01 O ATOM 132 CB LEU A 8 -9.679 -3.863 8.896 1.00 16.63 C ATOM 133 CG LEU A 8 -8.811 -2.587 9.101 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.655 -1.343 9.376 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.784 -2.675 10.274 1.00 18.59 C ATOM 0 H LEU A 8 -8.262 -4.304 6.881 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.404 -5.498 9.538 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.336 -3.684 8.045 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.317 -3.974 9.773 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.276 -2.514 8.154 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.001 -0.482 9.511 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.322 -1.163 8.533 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.245 -1.496 10.280 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.226 -1.741 10.340 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.315 -2.847 11.210 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.093 -3.498 10.092 1.00 18.59 H new ATOM 147 N THR A 9 -9.931 -6.976 7.235 1.00 18.33 N ATOM 148 CA THR A 9 -10.642 -8.178 7.021 1.00 19.24 C ATOM 149 C THR A 9 -9.803 -9.398 7.417 1.00 19.48 C ATOM 150 O THR A 9 -10.183 -10.548 7.208 1.00 23.14 O ATOM 151 CB THR A 9 -11.085 -8.269 5.543 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.928 -8.075 4.737 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.998 -7.065 5.277 1.00 19.70 C ATOM 0 H THR A 9 -9.324 -6.701 6.463 1.00 18.33 H new ATOM 0 HA THR A 9 -11.529 -8.173 7.655 1.00 19.24 H new ATOM 0 HB THR A 9 -11.574 -9.220 5.333 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.176 -8.129 3.790 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.337 -7.087 4.241 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.861 -7.109 5.942 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.446 -6.143 5.459 1.00 19.70 H new ATOM 161 N GLY A 10 -8.674 -9.140 8.076 1.00 19.43 N ATOM 162 CA GLY A 10 -7.905 -10.174 8.785 1.00 18.74 C ATOM 163 C GLY A 10 -7.069 -11.013 7.897 1.00 17.62 C ATOM 164 O GLY A 10 -6.815 -12.184 8.236 1.00 19.74 O ATOM 0 H GLY A 10 -8.262 -8.209 8.136 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.264 -9.694 9.524 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.596 -10.816 9.331 1.00 18.74 H new ATOM 168 N LYS A 11 -6.589 -10.426 6.786 1.00 13.56 N ATOM 169 CA LYS A 11 -5.828 -11.129 5.734 1.00 11.91 C ATOM 170 C LYS A 11 -4.461 -10.554 5.807 1.00 10.18 C ATOM 171 O LYS A 11 -4.358 -9.378 6.151 1.00 9.10 O ATOM 172 CB LYS A 11 -6.412 -10.934 4.289 1.00 13.43 C ATOM 173 CG LYS A 11 -6.069 -12.030 3.293 1.00 16.69 C ATOM 174 CD LYS A 11 -6.817 -11.710 1.974 1.00 17.92 C ATOM 175 CE LYS A 11 -6.382 -12.500 0.695 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.353 -12.347 -0.413 1.00 21.93 N ATOM 0 H LYS A 11 -6.720 -9.434 6.589 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.864 -12.205 5.906 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.497 -10.859 4.361 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.052 -9.983 3.895 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.993 -12.071 3.123 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.369 -13.005 3.677 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.880 -11.889 2.136 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.701 -10.646 1.769 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.403 -12.150 0.369 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.277 -13.557 0.941 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.863 -12.467 -1.323 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.098 -13.067 -0.324 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.780 -11.400 -0.372 1.00 21.93 H new ATOM 190 N THR A 12 -3.382 -11.350 5.437 1.00 9.63 N ATOM 191 CA THR A 12 -2.059 -10.799 5.066 1.00 9.85 C ATOM 192 C THR A 12 -1.995 -11.062 3.605 1.00 11.66 C ATOM 193 O THR A 12 -2.460 -12.091 3.141 1.00 12.33 O ATOM 194 CB THR A 12 -0.896 -11.390 5.810 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.106 -11.319 7.225 1.00 10.91 O ATOM 196 CG2 THR A 12 0.382 -10.526 5.578 1.00 9.63 C ATOM 0 H THR A 12 -3.428 -12.368 5.396 1.00 9.63 H new ATOM 0 HA THR A 12 -1.974 -9.745 5.331 1.00 9.85 H new ATOM 0 HB THR A 12 -0.791 -12.416 5.456 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.792 -12.147 7.644 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.220 -10.963 6.122 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.615 -10.499 4.513 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.206 -9.512 5.937 1.00 9.63 H new ATOM 204 N ILE A 13 -1.469 -10.164 2.845 1.00 10.42 N ATOM 205 CA ILE A 13 -1.388 -10.227 1.363 1.00 11.84 C ATOM 206 C ILE A 13 0.093 -10.123 1.039 1.00 10.55 C ATOM 207 O ILE A 13 0.908 -9.481 1.702 1.00 11.92 O ATOM 208 CB ILE A 13 -2.265 -9.169 0.683 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.620 -9.013 1.475 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.330 -9.535 -0.808 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.544 -8.025 0.830 1.00 16.46 C ATOM 0 H ILE A 13 -1.055 -9.312 3.223 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.793 -11.158 0.967 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.863 -8.156 0.713 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.115 -9.982 1.539 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.407 -8.696 2.496 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.946 -8.807 -1.335 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.324 -9.531 -1.228 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.766 -10.528 -0.920 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.463 -7.953 1.412 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.062 -7.048 0.790 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.780 -8.355 -0.182 1.00 16.46 H new ATOM 223 N THR A 14 0.657 -10.812 0.047 1.00 9.39 N ATOM 224 CA THR A 14 2.076 -10.724 -0.294 1.00 9.63 C ATOM 225 C THR A 14 2.156 -10.022 -1.575 1.00 11.20 C ATOM 226 O THR A 14 1.422 -10.388 -2.476 1.00 11.63 O ATOM 227 CB THR A 14 2.777 -12.080 -0.293 1.00 10.38 C ATOM 228 OG1 THR A 14 2.794 -12.768 0.939 1.00 16.30 O ATOM 229 CG2 THR A 14 4.315 -11.804 -0.600 1.00 11.66 C ATOM 0 H THR A 14 0.135 -11.454 -0.549 1.00 9.39 H new ATOM 0 HA THR A 14 2.619 -10.167 0.469 1.00 9.63 H new ATOM 0 HB THR A 14 2.228 -12.688 -1.012 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.263 -13.622 0.831 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.859 -12.748 -0.610 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.411 -11.320 -1.572 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.729 -11.154 0.171 1.00 11.66 H new ATOM 237 N LEU A 15 3.051 -8.980 -1.666 1.00 8.29 N ATOM 238 CA LEU A 15 3.278 -8.286 -2.914 1.00 9.03 C ATOM 239 C LEU A 15 4.723 -8.486 -3.494 1.00 8.59 C ATOM 240 O LEU A 15 5.719 -8.464 -2.787 1.00 7.79 O ATOM 241 CB LEU A 15 2.802 -6.784 -2.980 1.00 11.08 C ATOM 242 CG LEU A 15 1.372 -6.481 -2.515 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.151 -4.967 -2.581 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.376 -7.254 -3.398 1.00 15.27 C ATOM 0 H LEU A 15 3.603 -8.632 -0.882 1.00 8.29 H new ATOM 0 HA LEU A 15 2.591 -8.800 -3.586 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.487 -6.186 -2.379 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.902 -6.443 -4.010 1.00 11.08 H new ATOM 0 HG LEU A 15 1.214 -6.804 -1.486 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.138 -4.733 -2.254 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.868 -4.466 -1.930 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.290 -4.623 -3.606 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.642 -7.041 -3.071 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.495 -6.945 -4.437 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.568 -8.324 -3.313 1.00 15.27 H new ATOM 256 N GLU A 16 4.758 -8.623 -4.814 1.00 11.04 N ATOM 257 CA GLU A 16 5.968 -8.547 -5.598 1.00 11.50 C ATOM 258 C GLU A 16 5.991 -7.159 -6.325 1.00 10.13 C ATOM 259 O GLU A 16 5.146 -6.850 -7.136 1.00 9.83 O ATOM 260 CB GLU A 16 6.191 -9.767 -6.498 1.00 17.22 C ATOM 261 CG GLU A 16 7.557 -9.782 -7.287 1.00 23.33 C ATOM 262 CD GLU A 16 8.821 -10.052 -6.498 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.076 -11.232 -6.084 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.716 -9.213 -6.393 1.00 28.86 O ATOM 0 H GLU A 16 3.923 -8.794 -5.374 1.00 11.04 H new ATOM 0 HA GLU A 16 6.839 -8.594 -4.945 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.135 -10.666 -5.884 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.374 -9.821 -7.218 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.483 -10.535 -8.071 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.670 -8.817 -7.782 1.00 23.33 H new ATOM 271 N VAL A 17 6.997 -6.298 -6.016 1.00 8.99 N ATOM 272 CA VAL A 17 7.015 -4.831 -6.367 1.00 8.85 C ATOM 273 C VAL A 17 8.453 -4.556 -6.693 1.00 8.04 C ATOM 274 O VAL A 17 9.355 -5.381 -6.679 1.00 8.99 O ATOM 275 CB VAL A 17 6.553 -3.876 -5.198 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.000 -4.059 -4.949 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.397 -4.141 -3.910 1.00 10.54 C ATOM 0 H VAL A 17 7.832 -6.595 -5.511 1.00 8.99 H new ATOM 0 HA VAL A 17 6.314 -4.633 -7.178 1.00 8.85 H new ATOM 0 HB VAL A 17 6.726 -2.837 -5.479 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.681 -3.400 -4.142 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.454 -3.810 -5.859 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.795 -5.094 -4.675 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.065 -3.474 -3.114 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.265 -5.176 -3.595 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.451 -3.958 -4.121 1.00 10.54 H new ATOM 287 N GLU A 18 8.723 -3.284 -7.097 1.00 7.29 N ATOM 288 CA GLU A 18 10.076 -2.786 -7.369 1.00 7.08 C ATOM 289 C GLU A 18 10.387 -1.631 -6.459 1.00 6.45 C ATOM 290 O GLU A 18 9.414 -0.992 -6.156 1.00 5.28 O ATOM 291 CB GLU A 18 10.170 -2.551 -8.913 1.00 10.28 C ATOM 292 CG GLU A 18 11.276 -1.525 -9.271 1.00 12.65 C ATOM 293 CD GLU A 18 11.460 -1.523 -10.811 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.534 -1.135 -11.603 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.604 -1.839 -11.263 1.00 18.17 O ATOM 0 H GLU A 18 7.996 -2.582 -7.240 1.00 7.29 H new ATOM 0 HA GLU A 18 10.873 -3.491 -7.131 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.376 -3.497 -9.413 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.209 -2.196 -9.286 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.999 -0.531 -8.921 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.212 -1.788 -8.777 1.00 12.65 H new ATOM 302 N PRO A 19 11.549 -1.315 -5.893 1.00 7.24 N ATOM 303 CA PRO A 19 11.690 -0.175 -4.983 1.00 7.07 C ATOM 304 C PRO A 19 11.262 1.210 -5.493 1.00 6.65 C ATOM 305 O PRO A 19 10.746 1.975 -4.668 1.00 6.37 O ATOM 306 CB PRO A 19 13.186 -0.161 -4.673 1.00 7.61 C ATOM 307 CG PRO A 19 13.569 -1.637 -4.749 1.00 8.16 C ATOM 308 CD PRO A 19 12.677 -2.272 -5.771 1.00 7.49 C ATOM 0 HA PRO A 19 11.012 -0.324 -4.142 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.742 0.437 -5.395 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.390 0.258 -3.688 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.616 -1.749 -5.029 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.446 -2.117 -3.778 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.191 -2.409 -6.722 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.335 -3.256 -5.449 1.00 7.49 H new ATOM 316 N SER A 20 11.343 1.565 -6.782 1.00 6.80 N ATOM 317 CA SER A 20 10.958 2.873 -7.317 1.00 6.28 C ATOM 318 C SER A 20 9.468 2.847 -7.689 1.00 8.45 C ATOM 319 O SER A 20 9.020 3.805 -8.220 1.00 7.26 O ATOM 320 CB SER A 20 11.734 3.210 -8.617 1.00 8.57 C ATOM 321 OG SER A 20 13.168 3.038 -8.445 1.00 11.13 O ATOM 0 H SER A 20 11.689 0.929 -7.501 1.00 6.80 H new ATOM 0 HA SER A 20 11.180 3.616 -6.550 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.385 2.569 -9.426 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.523 4.238 -8.911 1.00 8.57 H new ATOM 0 HG SER A 20 13.627 3.257 -9.283 1.00 11.13 H new ATOM 327 N ASP A 21 8.766 1.718 -7.427 1.00 7.50 N ATOM 328 CA ASP A 21 7.332 1.785 -7.522 1.00 7.70 C ATOM 329 C ASP A 21 6.610 2.776 -6.601 1.00 7.08 C ATOM 330 O ASP A 21 6.859 2.915 -5.375 1.00 8.11 O ATOM 331 CB ASP A 21 6.632 0.384 -7.293 1.00 11.00 C ATOM 332 CG ASP A 21 6.895 -0.552 -8.495 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.391 -0.125 -9.577 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.509 -1.761 -8.290 1.00 18.03 O ATOM 0 H ASP A 21 9.160 0.814 -7.166 1.00 7.50 H new ATOM 0 HA ASP A 21 7.226 2.145 -8.545 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.009 -0.073 -6.378 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.559 0.524 -7.160 1.00 11.00 H new ATOM 339 N THR A 22 5.705 3.576 -7.145 1.00 5.37 N ATOM 340 CA THR A 22 4.919 4.567 -6.417 1.00 6.01 C ATOM 341 C THR A 22 3.838 3.943 -5.598 1.00 8.01 C ATOM 342 O THR A 22 3.419 2.837 -5.948 1.00 8.11 O ATOM 343 CB THR A 22 4.298 5.718 -7.261 1.00 8.92 C ATOM 344 OG1 THR A 22 3.404 5.214 -8.259 1.00 10.22 O ATOM 345 CG2 THR A 22 5.463 6.523 -7.817 1.00 9.65 C ATOM 0 H THR A 22 5.488 3.554 -8.141 1.00 5.37 H new ATOM 0 HA THR A 22 5.674 5.029 -5.781 1.00 6.01 H new ATOM 0 HB THR A 22 3.670 6.372 -6.656 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.030 5.961 -8.771 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.081 7.347 -8.420 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.056 6.920 -6.994 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.087 5.879 -8.436 1.00 9.65 H new ATOM 353 N ILE A 23 3.353 4.585 -4.487 1.00 8.32 N ATOM 354 CA ILE A 23 2.319 3.933 -3.655 1.00 9.92 C ATOM 355 C ILE A 23 0.976 3.737 -4.417 1.00 10.01 C ATOM 356 O ILE A 23 0.312 2.769 -4.185 1.00 8.71 O ATOM 357 CB ILE A 23 2.114 4.724 -2.360 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.436 4.751 -1.598 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.010 4.020 -1.486 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.921 3.379 -1.219 1.00 12.30 C ATOM 0 H ILE A 23 3.651 5.507 -4.169 1.00 8.32 H new ATOM 0 HA ILE A 23 2.676 2.934 -3.407 1.00 9.92 H new ATOM 0 HB ILE A 23 1.793 5.741 -2.584 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.192 5.242 -2.210 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.317 5.351 -0.696 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.863 4.582 -0.564 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.073 3.984 -2.042 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.328 3.006 -1.246 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.865 3.463 -0.680 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.181 2.895 -0.582 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.070 2.784 -2.120 1.00 12.30 H new ATOM 372 N GLU A 24 0.751 4.574 -5.423 1.00 9.54 N ATOM 373 CA GLU A 24 -0.214 4.210 -6.504 1.00 11.81 C ATOM 374 C GLU A 24 0.023 2.851 -7.132 1.00 11.14 C ATOM 375 O GLU A 24 -0.893 2.063 -7.282 1.00 10.62 O ATOM 376 CB GLU A 24 -0.174 5.239 -7.577 1.00 19.24 C ATOM 377 CG GLU A 24 -1.254 5.006 -8.668 1.00 27.76 C ATOM 378 CD GLU A 24 -0.976 6.103 -9.684 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.196 7.317 -9.347 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.625 5.740 -10.779 1.00 36.51 O ATOM 0 H GLU A 24 1.197 5.485 -5.531 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.189 4.164 -6.019 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.316 6.225 -7.135 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.812 5.237 -8.041 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.167 4.015 -9.114 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.261 5.084 -8.259 1.00 27.76 H new ATOM 387 N ASN A 25 1.231 2.562 -7.634 1.00 9.43 N ATOM 388 CA ASN A 25 1.500 1.252 -8.180 1.00 10.96 C ATOM 389 C ASN A 25 1.365 0.020 -7.225 1.00 9.68 C ATOM 390 O ASN A 25 0.841 -1.022 -7.566 1.00 9.33 O ATOM 391 CB ASN A 25 2.984 1.178 -8.777 1.00 16.78 C ATOM 392 CG ASN A 25 3.069 1.845 -10.200 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.053 1.130 -11.212 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.135 3.162 -10.316 1.00 24.70 N ATOM 0 H ASN A 25 2.015 3.213 -7.668 1.00 9.43 H new ATOM 0 HA ASN A 25 0.709 1.163 -8.924 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.675 1.678 -8.098 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.299 0.137 -8.843 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.173 3.591 -11.240 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.148 3.748 -9.481 1.00 24.70 H new ATOM 401 N VAL A 26 1.764 0.188 -5.946 1.00 6.52 N ATOM 402 CA VAL A 26 1.598 -0.845 -4.934 1.00 5.53 C ATOM 403 C VAL A 26 0.034 -1.096 -4.636 1.00 4.42 C ATOM 404 O VAL A 26 -0.427 -2.272 -4.545 1.00 3.40 O ATOM 405 CB VAL A 26 2.266 -0.422 -3.613 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.152 -1.508 -2.480 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.723 -0.085 -3.988 1.00 8.12 C ATOM 0 H VAL A 26 2.205 1.040 -5.601 1.00 6.52 H new ATOM 0 HA VAL A 26 2.062 -1.755 -5.316 1.00 5.53 H new ATOM 0 HB VAL A 26 1.761 0.438 -3.174 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.644 -1.145 -1.577 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.101 -1.703 -2.267 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.633 -2.429 -2.809 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.266 0.226 -3.095 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.202 -0.966 -4.415 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.733 0.724 -4.719 1.00 8.12 H new ATOM 417 N LYS A 27 -0.779 -0.068 -4.458 1.00 2.64 N ATOM 418 CA LYS A 27 -2.233 -0.068 -4.413 1.00 4.14 C ATOM 419 C LYS A 27 -2.838 -0.601 -5.673 1.00 5.58 C ATOM 420 O LYS A 27 -3.795 -1.332 -5.625 1.00 4.11 O ATOM 421 CB LYS A 27 -2.870 1.295 -3.967 1.00 3.97 C ATOM 422 CG LYS A 27 -2.300 1.653 -2.533 1.00 7.45 C ATOM 423 CD LYS A 27 -2.960 2.972 -1.943 1.00 9.02 C ATOM 424 CE LYS A 27 -3.091 4.086 -2.884 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.757 5.228 -2.255 1.00 15.47 N ATOM 0 H LYS A 27 -0.405 0.872 -4.330 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.490 -0.763 -3.614 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.627 2.082 -4.681 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.957 1.216 -3.937 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.482 0.821 -1.853 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.220 1.784 -2.595 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.950 2.723 -1.562 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.366 3.306 -1.092 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.105 4.385 -3.238 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.659 3.765 -3.757 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.401 6.111 -2.673 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.783 5.160 -2.410 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.561 5.225 -1.234 1.00 15.47 H new ATOM 439 N ALA A 28 -2.335 -0.318 -6.870 1.00 6.61 N ATOM 440 CA ALA A 28 -2.841 -0.974 -8.120 1.00 7.74 C ATOM 441 C ALA A 28 -2.580 -2.509 -8.041 1.00 9.17 C ATOM 442 O ALA A 28 -3.348 -3.352 -8.584 1.00 11.45 O ATOM 443 CB ALA A 28 -2.008 -0.411 -9.295 1.00 7.68 C ATOM 0 H ALA A 28 -1.582 0.353 -7.024 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.907 -0.787 -8.247 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.344 -0.863 -10.228 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.138 0.670 -9.348 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.955 -0.643 -9.138 1.00 7.68 H new ATOM 449 N LYS A 29 -1.448 -2.906 -7.463 1.00 8.96 N ATOM 450 CA LYS A 29 -1.023 -4.323 -7.399 1.00 7.90 C ATOM 451 C LYS A 29 -2.147 -5.104 -6.570 1.00 6.92 C ATOM 452 O LYS A 29 -2.522 -6.213 -6.922 1.00 6.87 O ATOM 453 CB LYS A 29 0.455 -4.542 -6.914 1.00 10.28 C ATOM 454 CG LYS A 29 0.934 -5.929 -7.139 1.00 14.94 C ATOM 455 CD LYS A 29 1.646 -6.110 -8.461 1.00 19.69 C ATOM 456 CE LYS A 29 2.267 -7.520 -8.687 1.00 22.63 C ATOM 457 NZ LYS A 29 2.817 -7.505 -10.059 1.00 24.98 N ATOM 0 H LYS A 29 -0.791 -2.262 -7.022 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.961 -4.745 -8.402 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.111 -3.846 -7.437 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.523 -4.307 -5.852 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.609 -6.209 -6.330 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.085 -6.611 -7.096 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.941 -5.907 -9.267 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.438 -5.365 -8.535 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.048 -7.725 -7.955 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.514 -8.301 -8.576 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.249 -8.427 -10.270 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.052 -7.318 -10.738 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.538 -6.760 -10.136 1.00 24.98 H new ATOM 471 N ILE A 30 -2.669 -4.427 -5.476 1.00 4.57 N ATOM 472 CA ILE A 30 -3.880 -4.753 -4.698 1.00 5.58 C ATOM 473 C ILE A 30 -5.171 -4.702 -5.498 1.00 7.26 C ATOM 474 O ILE A 30 -6.074 -5.553 -5.466 1.00 9.46 O ATOM 475 CB ILE A 30 -3.824 -3.925 -3.392 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.778 -4.556 -2.408 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.174 -3.796 -2.643 1.00 2.78 C ATOM 478 CD1 ILE A 30 -3.144 -6.003 -1.975 1.00 2.00 C ATOM 0 H ILE A 30 -2.208 -3.593 -5.113 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.890 -5.806 -4.418 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.541 -2.920 -3.706 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.798 -4.563 -2.885 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.697 -3.927 -1.521 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.034 -3.199 -1.742 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.904 -3.310 -3.290 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.535 -4.788 -2.369 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -2.382 -6.383 -1.295 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -4.110 -5.998 -1.471 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.197 -6.644 -2.855 1.00 2.00 H new ATOM 490 N GLN A 31 -5.402 -3.744 -6.402 1.00 7.06 N ATOM 491 CA GLN A 31 -6.588 -3.710 -7.318 1.00 8.67 C ATOM 492 C GLN A 31 -6.627 -4.935 -8.234 1.00 10.90 C ATOM 493 O GLN A 31 -7.664 -5.505 -8.473 1.00 9.63 O ATOM 494 CB GLN A 31 -6.574 -2.446 -8.176 1.00 9.12 C ATOM 495 CG GLN A 31 -7.947 -2.287 -8.873 1.00 10.76 C ATOM 496 CD GLN A 31 -7.836 -1.071 -9.884 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.773 -0.633 -10.330 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.017 -0.562 -10.243 1.00 14.76 N ATOM 0 H GLN A 31 -4.773 -2.952 -6.534 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.477 -3.715 -6.688 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.364 -1.574 -7.556 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.780 -2.506 -8.920 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.215 -3.201 -9.402 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.730 -2.103 -8.138 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.878 -0.948 -9.855 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.058 0.213 -10.905 1.00 14.76 H new ATOM 507 N ASP A 32 -5.485 -5.319 -8.795 1.00 10.93 N ATOM 508 CA ASP A 32 -5.438 -6.484 -9.644 1.00 14.01 C ATOM 509 C ASP A 32 -5.705 -7.728 -8.802 1.00 14.04 C ATOM 510 O ASP A 32 -6.472 -8.597 -9.253 1.00 13.39 O ATOM 511 CB ASP A 32 -4.094 -6.548 -10.348 1.00 18.01 C ATOM 512 CG ASP A 32 -4.051 -7.612 -11.393 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.663 -7.521 -12.487 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.396 -8.627 -11.116 1.00 26.29 O ATOM 0 H ASP A 32 -4.593 -4.840 -8.674 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.208 -6.427 -10.413 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.881 -5.583 -10.807 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.310 -6.732 -9.613 1.00 18.01 H new ATOM 519 N LYS A 33 -5.055 -7.930 -7.634 1.00 14.22 N ATOM 520 CA LYS A 33 -5.282 -9.114 -6.807 1.00 14.00 C ATOM 521 C LYS A 33 -6.654 -9.263 -6.067 1.00 12.37 C ATOM 522 O LYS A 33 -7.346 -10.257 -6.162 1.00 12.17 O ATOM 523 CB LYS A 33 -4.138 -9.235 -5.780 1.00 18.62 C ATOM 524 CG LYS A 33 -2.830 -9.819 -6.352 1.00 24.00 C ATOM 525 CD LYS A 33 -1.743 -9.837 -5.319 1.00 27.61 C ATOM 526 CE LYS A 33 -0.449 -10.488 -5.762 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.666 -11.858 -6.288 1.00 30.06 N ATOM 0 H LYS A 33 -4.369 -7.280 -7.251 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.309 -9.924 -7.536 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.931 -8.248 -5.366 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.472 -9.863 -4.954 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.009 -10.832 -6.712 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.510 -9.227 -7.210 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.531 -8.811 -5.018 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.111 -10.359 -4.436 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.020 -9.875 -6.531 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.243 -10.528 -4.921 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.250 -12.340 -6.388 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.268 -12.392 -5.629 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.132 -11.804 -7.216 1.00 30.06 H new ATOM 541 N GLU A 34 -6.989 -8.167 -5.348 1.00 10.11 N ATOM 542 CA GLU A 34 -8.097 -8.238 -4.465 1.00 10.07 C ATOM 543 C GLU A 34 -9.299 -7.448 -5.008 1.00 9.32 C ATOM 544 O GLU A 34 -10.349 -7.586 -4.449 1.00 11.61 O ATOM 545 CB GLU A 34 -7.634 -7.571 -3.107 1.00 14.77 C ATOM 546 CG GLU A 34 -6.418 -8.211 -2.390 1.00 18.75 C ATOM 547 CD GLU A 34 -6.807 -9.615 -1.923 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.713 -9.709 -1.089 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.216 -10.667 -2.349 1.00 21.95 O ATOM 0 H GLU A 34 -6.507 -7.269 -5.382 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.405 -9.276 -4.341 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.399 -6.525 -3.306 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.479 -7.583 -2.418 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.564 -8.261 -3.066 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.116 -7.600 -1.539 1.00 18.75 H new ATOM 556 N GLY A 35 -9.105 -6.653 -6.034 1.00 7.22 N ATOM 557 CA GLY A 35 -10.232 -5.944 -6.624 1.00 6.29 C ATOM 558 C GLY A 35 -10.638 -4.692 -5.925 1.00 6.93 C ATOM 559 O GLY A 35 -11.847 -4.462 -5.771 1.00 7.41 O ATOM 0 H GLY A 35 -8.202 -6.478 -6.474 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.985 -5.699 -7.657 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.088 -6.618 -6.653 1.00 6.29 H new ATOM 563 N ILE A 36 -9.671 -3.807 -5.505 1.00 5.86 N ATOM 564 CA ILE A 36 -10.064 -2.616 -4.672 1.00 6.07 C ATOM 565 C ILE A 36 -9.544 -1.416 -5.447 1.00 6.36 C ATOM 566 O ILE A 36 -8.343 -1.392 -5.686 1.00 6.18 O ATOM 567 CB ILE A 36 -9.517 -2.480 -3.264 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.867 -3.809 -2.640 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.160 -1.175 -2.659 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.263 -3.879 -1.247 1.00 9.49 C ATOM 0 H ILE A 36 -8.676 -3.886 -5.713 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.139 -2.714 -4.522 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.447 -2.328 -3.124 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.949 -3.926 -2.587 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.488 -4.625 -3.256 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.798 -1.029 -1.641 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.882 -0.316 -3.269 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.245 -1.276 -2.647 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.512 -4.837 -0.790 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.180 -3.780 -1.315 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.664 -3.070 -0.636 1.00 9.49 H new ATOM 582 N PRO A 37 -10.261 -0.366 -5.885 1.00 8.65 N ATOM 583 CA PRO A 37 -9.774 0.921 -6.448 1.00 9.18 C ATOM 584 C PRO A 37 -8.587 1.587 -5.663 1.00 9.85 C ATOM 585 O PRO A 37 -8.760 1.604 -4.435 1.00 8.51 O ATOM 586 CB PRO A 37 -10.994 1.857 -6.381 1.00 11.42 C ATOM 587 CG PRO A 37 -12.157 0.919 -6.648 1.00 9.27 C ATOM 588 CD PRO A 37 -11.730 -0.320 -5.788 1.00 8.33 C ATOM 0 HA PRO A 37 -9.378 0.741 -7.448 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.080 2.340 -5.407 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.936 2.650 -7.126 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.110 1.338 -6.326 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.258 0.674 -7.705 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.054 -0.212 -4.753 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.179 -1.238 -6.168 1.00 8.33 H new ATOM 596 N PRO A 38 -7.488 2.158 -6.270 1.00 8.71 N ATOM 597 CA PRO A 38 -6.376 2.760 -5.617 1.00 9.08 C ATOM 598 C PRO A 38 -6.799 3.986 -4.843 1.00 9.28 C ATOM 599 O PRO A 38 -6.146 4.352 -3.868 1.00 6.50 O ATOM 600 CB PRO A 38 -5.350 3.071 -6.731 1.00 10.31 C ATOM 601 CG PRO A 38 -5.606 1.918 -7.653 1.00 10.81 C ATOM 602 CD PRO A 38 -7.145 1.740 -7.627 1.00 12.00 C ATOM 0 HA PRO A 38 -5.931 2.101 -4.872 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.532 4.034 -7.208 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.325 3.088 -6.360 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.247 2.127 -8.661 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.096 1.017 -7.314 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.638 2.357 -8.379 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.438 0.708 -7.820 1.00 12.00 H new ATOM 610 N ASP A 39 -7.926 4.645 -5.188 1.00 11.20 N ATOM 611 CA ASP A 39 -8.520 5.784 -4.521 1.00 14.96 C ATOM 612 C ASP A 39 -9.551 5.457 -3.452 1.00 13.99 C ATOM 613 O ASP A 39 -10.155 6.343 -2.842 1.00 13.75 O ATOM 614 CB ASP A 39 -9.136 6.772 -5.513 1.00 24.16 C ATOM 615 CG ASP A 39 -8.114 7.262 -6.503 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.152 8.003 -6.091 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.195 6.969 -7.766 1.00 35.55 O ATOM 0 H ASP A 39 -8.471 4.360 -6.002 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.671 6.235 -4.006 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.959 6.293 -6.044 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.557 7.619 -4.972 1.00 24.16 H new ATOM 622 N GLN A 40 -9.756 4.176 -3.240 1.00 11.60 N ATOM 623 CA GLN A 40 -10.497 3.795 -2.057 1.00 10.76 C ATOM 624 C GLN A 40 -9.543 3.276 -0.967 1.00 8.01 C ATOM 625 O GLN A 40 -9.976 2.697 -0.003 1.00 8.96 O ATOM 626 CB GLN A 40 -11.526 2.782 -2.596 1.00 11.14 C ATOM 627 CG GLN A 40 -12.523 2.458 -1.462 1.00 14.85 C ATOM 628 CD GLN A 40 -13.597 1.540 -2.003 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.720 0.361 -1.652 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.329 2.077 -3.019 1.00 18.16 N ATOM 0 H GLN A 40 -9.439 3.413 -3.838 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.013 4.608 -1.547 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.051 3.195 -3.457 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.025 1.874 -2.933 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.005 1.983 -0.629 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.969 3.376 -1.078 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.199 3.055 -3.280 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.007 1.501 -3.519 1.00 18.16 H new ATOM 639 N GLN A 41 -8.229 3.408 -1.145 1.00 6.52 N ATOM 640 CA GLN A 41 -7.288 2.647 -0.376 1.00 3.87 C ATOM 641 C GLN A 41 -6.379 3.618 0.309 1.00 4.79 C ATOM 642 O GLN A 41 -5.897 4.596 -0.271 1.00 6.34 O ATOM 643 CB GLN A 41 -6.309 1.788 -1.270 1.00 4.20 C ATOM 644 CG GLN A 41 -6.968 0.571 -1.930 1.00 3.20 C ATOM 645 CD GLN A 41 -5.924 -0.218 -2.755 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.905 -0.654 -2.184 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.287 -0.573 -4.001 1.00 7.13 N ATOM 0 H GLN A 41 -7.806 4.042 -1.823 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.869 1.999 0.280 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.890 2.427 -2.047 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.477 1.447 -0.654 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.403 -0.075 -1.167 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.784 0.895 -2.576 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.133 -0.183 -4.417 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.716 -1.233 -4.530 1.00 7.13 H new ATOM 656 N ARG A 42 -6.141 3.351 1.590 1.00 5.73 N ATOM 657 CA ARG A 42 -5.200 4.057 2.380 1.00 6.97 C ATOM 658 C ARG A 42 -4.221 3.228 3.135 1.00 7.15 C ATOM 659 O ARG A 42 -4.594 2.324 3.877 1.00 7.33 O ATOM 660 CB ARG A 42 -5.842 4.983 3.447 1.00 13.23 C ATOM 661 CG ARG A 42 -6.747 6.076 2.875 1.00 21.27 C ATOM 662 CD ARG A 42 -7.028 7.148 3.966 1.00 26.14 C ATOM 663 NE ARG A 42 -7.791 8.225 3.335 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.893 8.801 3.910 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.577 8.323 4.910 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.173 10.033 3.515 1.00 36.39 N ATOM 0 H ARG A 42 -6.624 2.611 2.100 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.686 4.618 1.600 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.423 4.372 4.138 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.048 5.453 4.027 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.272 6.539 2.010 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.685 5.641 2.529 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.589 6.715 4.794 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.094 7.530 4.378 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.488 8.564 2.422 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.304 7.439 5.338 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.386 8.833 5.265 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.582 10.493 2.823 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.980 10.522 3.903 1.00 36.39 H new ATOM 680 N LEU A 43 -2.908 3.469 2.860 1.00 4.65 N ATOM 681 CA LEU A 43 -1.886 2.559 3.241 1.00 3.51 C ATOM 682 C LEU A 43 -1.042 3.227 4.264 1.00 5.56 C ATOM 683 O LEU A 43 -0.458 4.265 4.021 1.00 4.19 O ATOM 684 CB LEU A 43 -1.113 2.160 1.974 1.00 3.74 C ATOM 685 CG LEU A 43 -0.125 1.019 2.115 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.855 -0.305 2.186 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.719 0.896 0.856 1.00 6.41 C ATOM 0 H LEU A 43 -2.572 4.300 2.373 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.274 1.643 3.686 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.836 1.892 1.204 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.573 3.036 1.614 1.00 3.74 H new ATOM 0 HG LEU A 43 0.466 1.226 3.007 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.132 -1.114 2.287 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.524 -0.306 3.047 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.436 -0.449 1.275 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.425 0.073 0.970 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.071 0.703 0.001 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.267 1.824 0.693 1.00 6.41 H new ATOM 699 N ILE A 44 -0.954 2.619 5.472 1.00 4.58 N ATOM 700 CA ILE A 44 -0.354 3.073 6.658 1.00 5.55 C ATOM 701 C ILE A 44 0.888 2.425 6.956 1.00 5.46 C ATOM 702 O ILE A 44 0.973 1.189 6.954 1.00 6.04 O ATOM 703 CB ILE A 44 -1.322 3.029 7.838 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.539 3.924 7.406 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.668 3.633 9.172 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.559 4.171 8.560 1.00 13.90 C ATOM 0 H ILE A 44 -1.363 1.694 5.607 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.102 4.119 6.481 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.604 2.001 8.066 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.167 4.884 7.047 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.053 3.449 6.571 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.391 3.582 9.987 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.218 3.056 9.436 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.386 4.672 9.001 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.375 4.796 8.197 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.958 3.217 8.904 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.058 4.674 9.387 1.00 13.90 H new ATOM 718 N PHE A 45 2.034 3.201 7.174 1.00 6.75 N ATOM 719 CA PHE A 45 3.331 2.675 7.515 1.00 4.70 C ATOM 720 C PHE A 45 4.036 3.678 8.386 1.00 6.34 C ATOM 721 O PHE A 45 4.249 4.850 8.061 1.00 5.45 O ATOM 722 CB PHE A 45 4.056 2.267 6.214 1.00 5.51 C ATOM 723 CG PHE A 45 5.462 1.819 6.383 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.646 0.792 7.384 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.565 2.392 5.815 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.926 0.357 7.707 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.867 1.967 6.163 1.00 6.64 C ATOM 728 CZ PHE A 45 7.996 0.998 7.159 1.00 6.84 C ATOM 0 H PHE A 45 2.025 4.219 7.103 1.00 6.75 H new ATOM 0 HA PHE A 45 3.286 1.762 8.109 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.491 1.465 5.739 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.042 3.115 5.529 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.789 0.363 7.881 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.440 3.182 5.089 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.070 -0.475 8.381 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.736 2.380 5.673 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.986 0.746 7.510 1.00 6.84 H new ATOM 738 N ALA A 46 4.587 3.179 9.518 1.00 6.53 N ATOM 739 CA ALA A 46 5.366 3.920 10.465 1.00 7.15 C ATOM 740 C ALA A 46 4.708 5.157 11.042 1.00 9.00 C ATOM 741 O ALA A 46 5.296 6.143 11.303 1.00 11.15 O ATOM 742 CB ALA A 46 6.729 4.354 9.844 1.00 8.99 C ATOM 0 H ALA A 46 4.479 2.200 9.783 1.00 6.53 H new ATOM 0 HA ALA A 46 5.492 3.218 11.289 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.303 4.915 10.582 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.290 3.469 9.544 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.548 4.982 8.971 1.00 8.99 H new ATOM 748 N GLY A 47 3.391 5.128 11.314 1.00 9.35 N ATOM 749 CA GLY A 47 2.481 6.219 11.698 1.00 11.68 C ATOM 750 C GLY A 47 2.124 7.236 10.641 1.00 11.14 C ATOM 751 O GLY A 47 1.586 8.342 10.832 1.00 13.93 O ATOM 0 H GLY A 47 2.885 4.244 11.264 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.555 5.772 12.061 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.929 6.750 12.538 1.00 11.68 H new ATOM 755 N LYS A 48 2.579 6.967 9.427 1.00 10.47 N ATOM 756 CA LYS A 48 2.376 7.843 8.288 1.00 8.82 C ATOM 757 C LYS A 48 1.463 7.203 7.224 1.00 7.68 C ATOM 758 O LYS A 48 1.597 6.084 6.913 1.00 6.47 O ATOM 759 CB LYS A 48 3.758 8.142 7.571 1.00 9.74 C ATOM 760 CG LYS A 48 4.876 8.661 8.440 1.00 14.14 C ATOM 761 CD LYS A 48 6.190 9.035 7.712 1.00 16.32 C ATOM 762 CE LYS A 48 7.297 9.626 8.631 1.00 20.04 C ATOM 763 NZ LYS A 48 8.532 9.781 7.897 1.00 23.92 N ATOM 0 H LYS A 48 3.106 6.123 9.204 1.00 10.47 H new ATOM 0 HA LYS A 48 1.917 8.751 8.679 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.098 7.224 7.092 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.579 8.868 6.778 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.516 9.542 8.972 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.104 7.906 9.192 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.582 8.145 7.220 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.962 9.758 6.929 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.976 10.591 9.023 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.455 8.971 9.488 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.261 10.177 8.524 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.845 8.854 7.544 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.380 10.424 7.094 1.00 23.92 H new ATOM 777 N GLN A 49 0.457 7.967 6.693 1.00 8.89 N ATOM 778 CA GLN A 49 -0.234 7.599 5.499 1.00 7.18 C ATOM 779 C GLN A 49 0.668 7.804 4.267 1.00 8.23 C ATOM 780 O GLN A 49 1.134 8.863 4.041 1.00 9.70 O ATOM 781 CB GLN A 49 -1.603 8.312 5.325 1.00 11.67 C ATOM 782 CG GLN A 49 -2.534 7.982 6.610 1.00 15.82 C ATOM 783 CD GLN A 49 -3.917 8.705 6.620 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.913 8.033 6.754 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.917 10.041 6.381 1.00 20.67 N ATOM 0 H GLN A 49 0.134 8.841 7.107 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.469 6.539 5.593 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.458 9.388 5.231 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.090 7.975 4.410 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.702 6.906 6.652 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.991 8.255 7.514 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.034 10.541 6.279 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.800 10.545 6.303 1.00 20.67 H new ATOM 794 N LEU A 50 0.862 6.728 3.474 1.00 6.51 N ATOM 795 CA LEU A 50 1.762 6.831 2.323 1.00 7.41 C ATOM 796 C LEU A 50 1.033 7.463 1.080 1.00 8.27 C ATOM 797 O LEU A 50 -0.052 7.121 0.629 1.00 8.34 O ATOM 798 CB LEU A 50 2.321 5.434 1.958 1.00 7.13 C ATOM 799 CG LEU A 50 2.920 4.678 3.202 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.365 3.224 2.826 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.102 5.384 3.908 1.00 9.11 C ATOM 0 H LEU A 50 0.424 5.816 3.607 1.00 6.51 H new ATOM 0 HA LEU A 50 2.587 7.488 2.599 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.525 4.831 1.520 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.094 5.543 1.197 1.00 7.13 H new ATOM 0 HG LEU A 50 2.094 4.668 3.913 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.774 2.729 3.707 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.504 2.663 2.462 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.127 3.266 2.047 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.437 4.778 4.750 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.923 5.512 3.203 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.779 6.360 4.269 1.00 9.11 H new ATOM 813 N GLU A 51 1.665 8.478 0.565 1.00 9.43 N ATOM 814 CA GLU A 51 1.192 9.396 -0.478 1.00 11.90 C ATOM 815 C GLU A 51 1.386 8.696 -1.846 1.00 11.49 C ATOM 816 O GLU A 51 2.480 8.198 -2.166 1.00 9.88 O ATOM 817 CB GLU A 51 1.926 10.712 -0.438 1.00 16.56 C ATOM 818 CG GLU A 51 1.686 11.551 0.831 1.00 26.06 C ATOM 819 CD GLU A 51 2.000 13.014 0.563 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.261 13.773 -0.136 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.063 13.508 0.909 1.00 33.44 O ATOM 0 H GLU A 51 2.605 8.721 0.878 1.00 9.43 H new ATOM 0 HA GLU A 51 0.139 9.626 -0.313 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.995 10.518 -0.531 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.632 11.302 -1.306 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.650 11.447 1.153 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.311 11.181 1.644 1.00 26.06 H new ATOM 828 N ASP A 52 0.428 8.771 -2.737 1.00 12.71 N ATOM 829 CA ASP A 52 0.222 8.119 -4.007 1.00 16.56 C ATOM 830 C ASP A 52 1.404 8.390 -4.967 1.00 15.83 C ATOM 831 O ASP A 52 1.936 7.429 -5.587 1.00 17.21 O ATOM 832 CB ASP A 52 -1.101 8.647 -4.693 1.00 21.05 C ATOM 833 CG ASP A 52 -2.170 8.608 -3.635 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.234 9.492 -2.765 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.023 7.684 -3.591 1.00 25.82 O ATOM 0 H ASP A 52 -0.355 9.398 -2.552 1.00 12.71 H new ATOM 0 HA ASP A 52 0.144 7.049 -3.813 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.965 9.660 -5.071 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.373 8.023 -5.544 1.00 21.05 H new ATOM 840 N GLY A 53 1.854 9.607 -5.078 1.00 15.00 N ATOM 841 CA GLY A 53 2.921 9.885 -6.068 1.00 11.77 C ATOM 842 C GLY A 53 4.329 9.791 -5.513 1.00 11.10 C ATOM 843 O GLY A 53 5.284 10.428 -5.977 1.00 11.25 O ATOM 0 H GLY A 53 1.534 10.408 -4.534 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.823 9.184 -6.897 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.770 10.884 -6.476 1.00 11.77 H new ATOM 847 N ARG A 54 4.528 9.089 -4.353 1.00 8.53 N ATOM 848 CA ARG A 54 5.838 9.003 -3.709 1.00 9.05 C ATOM 849 C ARG A 54 6.126 7.539 -3.760 1.00 8.96 C ATOM 850 O ARG A 54 5.214 6.709 -3.952 1.00 11.60 O ATOM 851 CB ARG A 54 5.820 9.358 -2.169 1.00 7.97 C ATOM 852 CG ARG A 54 5.531 10.838 -1.902 1.00 9.62 C ATOM 853 CD ARG A 54 5.866 11.310 -0.466 1.00 12.20 C ATOM 854 NE ARG A 54 5.543 12.691 -0.124 1.00 18.23 N ATOM 855 CZ ARG A 54 6.039 13.730 -0.825 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.066 13.701 -1.673 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.405 14.919 -0.683 1.00 23.38 N ATOM 0 H ARG A 54 3.789 8.584 -3.864 1.00 8.53 H new ATOM 0 HA ARG A 54 6.536 9.684 -4.197 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.066 8.750 -1.670 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.782 9.096 -1.730 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.100 11.440 -2.610 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.476 11.030 -2.097 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.344 10.658 0.234 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.934 11.163 -0.303 1.00 12.20 H new ATOM 0 HE ARG A 54 4.925 12.875 0.667 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.562 12.826 -1.844 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.357 14.554 -2.151 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.594 14.995 -0.069 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.738 15.739 -1.190 1.00 23.38 H new ATOM 871 N THR A 55 7.382 7.120 -3.526 1.00 9.05 N ATOM 872 CA THR A 55 7.916 5.786 -3.789 1.00 9.03 C ATOM 873 C THR A 55 8.162 4.928 -2.563 1.00 8.15 C ATOM 874 O THR A 55 8.422 5.420 -1.469 1.00 5.91 O ATOM 875 CB THR A 55 9.165 5.634 -4.660 1.00 11.15 C ATOM 876 OG1 THR A 55 10.315 6.229 -4.052 1.00 11.95 O ATOM 877 CG2 THR A 55 8.908 6.325 -5.933 1.00 11.71 C ATOM 0 H THR A 55 8.084 7.742 -3.126 1.00 9.05 H new ATOM 0 HA THR A 55 7.063 5.441 -4.373 1.00 9.03 H new ATOM 0 HB THR A 55 9.367 4.572 -4.799 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.092 6.110 -4.637 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.782 6.235 -6.579 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.046 5.874 -6.424 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.706 7.379 -5.741 1.00 11.71 H new ATOM 885 N LEU A 56 8.167 3.573 -2.801 1.00 6.91 N ATOM 886 CA LEU A 56 8.741 2.643 -1.825 1.00 8.29 C ATOM 887 C LEU A 56 10.115 3.097 -1.248 1.00 8.05 C ATOM 888 O LEU A 56 10.365 2.983 -0.012 1.00 10.17 O ATOM 889 CB LEU A 56 8.805 1.180 -2.268 1.00 6.60 C ATOM 890 CG LEU A 56 7.450 0.589 -2.610 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.699 -0.823 -3.069 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.419 0.672 -1.426 1.00 8.64 C ATOM 0 H LEU A 56 7.787 3.134 -3.640 1.00 6.91 H new ATOM 0 HA LEU A 56 8.008 2.684 -1.019 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.457 1.101 -3.138 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.260 0.588 -1.474 1.00 6.60 H new ATOM 0 HG LEU A 56 6.977 1.171 -3.401 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.751 -1.294 -3.328 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.349 -0.812 -3.944 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.177 -1.387 -2.268 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.471 0.232 -1.737 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.808 0.126 -0.566 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.262 1.715 -1.153 1.00 8.64 H new ATOM 904 N SER A 57 11.016 3.567 -2.210 1.00 8.92 N ATOM 905 CA SER A 57 12.391 4.019 -1.871 1.00 9.00 C ATOM 906 C SER A 57 12.404 5.284 -1.063 1.00 9.44 C ATOM 907 O SER A 57 13.230 5.411 -0.191 1.00 10.91 O ATOM 908 CB SER A 57 13.285 4.055 -3.190 1.00 10.32 C ATOM 909 OG SER A 57 14.684 3.845 -2.932 1.00 13.59 O ATOM 0 H SER A 57 10.793 3.632 -3.203 1.00 8.92 H new ATOM 0 HA SER A 57 12.851 3.292 -1.201 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.931 3.291 -3.882 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.154 5.018 -3.684 1.00 10.32 H new ATOM 0 HG SER A 57 15.181 3.876 -3.776 1.00 13.59 H new ATOM 915 N ASP A 58 11.508 6.216 -1.388 1.00 9.11 N ATOM 916 CA ASP A 58 11.321 7.477 -0.656 1.00 7.91 C ATOM 917 C ASP A 58 10.969 7.258 0.791 1.00 9.12 C ATOM 918 O ASP A 58 11.567 7.778 1.707 1.00 8.61 O ATOM 919 CB ASP A 58 10.359 8.430 -1.393 1.00 8.41 C ATOM 920 CG ASP A 58 10.355 9.787 -0.769 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.416 10.499 -0.731 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.282 10.092 -0.249 1.00 10.05 O ATOM 0 H ASP A 58 10.877 6.117 -2.183 1.00 9.11 H new ATOM 0 HA ASP A 58 12.285 7.985 -0.637 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.653 8.510 -2.439 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.351 8.017 -1.376 1.00 8.41 H new ATOM 927 N TYR A 59 10.089 6.307 1.041 1.00 7.97 N ATOM 928 CA TYR A 59 9.595 5.898 2.309 1.00 8.45 C ATOM 929 C TYR A 59 10.548 4.953 3.031 1.00 10.98 C ATOM 930 O TYR A 59 10.271 4.644 4.217 1.00 12.95 O ATOM 931 CB TYR A 59 8.246 5.143 2.118 1.00 7.94 C ATOM 932 CG TYR A 59 7.258 6.215 2.004 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.004 7.127 3.072 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.428 6.357 0.817 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.031 8.170 2.961 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.409 7.300 0.832 1.00 6.52 C ATOM 937 CZ TYR A 59 5.215 8.206 1.840 1.00 6.76 C ATOM 938 OH TYR A 59 4.168 9.166 1.785 1.00 7.63 O ATOM 0 H TYR A 59 9.676 5.763 0.284 1.00 7.97 H new ATOM 0 HA TYR A 59 9.477 6.801 2.907 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.261 4.517 1.226 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.031 4.489 2.963 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.563 7.027 3.991 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.601 5.743 -0.055 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.934 8.916 3.736 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.726 7.320 -0.004 1.00 6.52 H new ATOM 0 HH TYR A 59 4.427 9.962 2.295 1.00 7.63 H new ATOM 948 N ASN A 60 11.600 4.508 2.403 1.00 12.38 N ATOM 949 CA ASN A 60 12.490 3.423 2.908 1.00 13.94 C ATOM 950 C ASN A 60 11.696 2.196 3.348 1.00 14.16 C ATOM 951 O ASN A 60 11.831 1.572 4.442 1.00 14.26 O ATOM 952 CB ASN A 60 13.487 4.031 3.936 1.00 19.23 C ATOM 953 CG ASN A 60 14.558 2.914 4.221 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.995 2.277 3.258 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.917 2.742 5.509 1.00 24.09 N ATOM 0 H ASN A 60 11.896 4.879 1.500 1.00 12.38 H new ATOM 0 HA ASN A 60 13.111 3.013 2.112 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.958 4.929 3.537 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.973 4.321 4.853 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.608 2.034 5.756 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.497 3.320 6.237 1.00 24.09 H new ATOM 962 N ILE A 61 10.888 1.631 2.462 1.00 11.08 N ATOM 963 CA ILE A 61 10.090 0.467 2.651 1.00 11.78 C ATOM 964 C ILE A 61 11.001 -0.624 2.181 1.00 13.74 C ATOM 965 O ILE A 61 11.371 -0.773 1.024 1.00 14.60 O ATOM 966 CB ILE A 61 8.725 0.489 1.883 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.842 1.434 2.712 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.111 -0.932 1.832 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.738 2.099 1.885 1.00 11.42 C ATOM 0 H ILE A 61 10.778 2.019 1.525 1.00 11.08 H new ATOM 0 HA ILE A 61 9.762 0.354 3.684 1.00 11.78 H new ATOM 0 HB ILE A 61 8.829 0.817 0.849 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.389 0.875 3.530 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.467 2.206 3.161 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.163 -0.900 1.295 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.796 -1.606 1.318 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.941 -1.292 2.847 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.148 2.754 2.526 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.187 2.684 1.082 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.092 1.332 1.457 1.00 11.42 H new ATOM 981 N GLN A 62 11.390 -1.433 3.172 1.00 13.97 N ATOM 982 CA GLN A 62 12.484 -2.429 3.029 1.00 15.52 C ATOM 983 C GLN A 62 11.982 -3.834 2.680 1.00 13.94 C ATOM 984 O GLN A 62 10.821 -4.191 2.834 1.00 12.15 O ATOM 985 CB GLN A 62 13.460 -2.456 4.191 1.00 19.53 C ATOM 986 CG GLN A 62 13.875 -1.007 4.533 1.00 26.38 C ATOM 987 CD GLN A 62 14.754 -0.947 5.816 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.952 -0.615 5.703 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.180 -1.238 6.945 1.00 32.71 N ATOM 0 H GLN A 62 10.963 -1.424 4.098 1.00 13.97 H new ATOM 0 HA GLN A 62 13.053 -2.071 2.171 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.000 -2.931 5.058 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.338 -3.048 3.932 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.425 -0.579 3.695 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.983 -0.397 4.674 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.195 -1.502 6.963 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.715 -1.203 7.813 1.00 32.71 H new ATOM 998 N LYS A 63 12.792 -4.642 2.112 1.00 11.73 N ATOM 999 CA LYS A 63 12.494 -6.111 1.853 1.00 11.97 C ATOM 1000 C LYS A 63 11.954 -6.938 3.024 1.00 10.41 C ATOM 1001 O LYS A 63 12.653 -7.117 4.066 1.00 9.59 O ATOM 1002 CB LYS A 63 13.618 -6.769 1.141 1.00 13.73 C ATOM 1003 CG LYS A 63 14.839 -7.169 2.010 1.00 16.98 C ATOM 1004 CD LYS A 63 16.093 -7.634 1.225 1.00 20.19 C ATOM 1005 CE LYS A 63 17.198 -8.332 2.070 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.976 -9.256 1.215 1.00 25.97 N ATOM 0 H LYS A 63 13.715 -4.356 1.785 1.00 11.73 H new ATOM 0 HA LYS A 63 11.625 -6.086 1.195 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.236 -7.666 0.653 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.963 -6.100 0.353 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.116 -6.317 2.631 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.536 -7.970 2.684 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.774 -8.320 0.440 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.532 -6.767 0.731 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.859 -7.585 2.509 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.745 -8.881 2.896 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.712 -9.719 1.785 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.342 -9.977 0.817 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.421 -8.722 0.442 1.00 25.97 H new ATOM 1020 N GLU A 64 10.709 -7.423 2.913 1.00 10.04 N ATOM 1021 CA GLU A 64 9.957 -8.187 3.887 1.00 10.94 C ATOM 1022 C GLU A 64 9.275 -7.159 4.852 1.00 9.74 C ATOM 1023 O GLU A 64 8.833 -7.527 5.928 1.00 9.42 O ATOM 1024 CB GLU A 64 10.736 -9.215 4.781 1.00 18.31 C ATOM 1025 CG GLU A 64 11.406 -10.383 3.981 1.00 24.16 C ATOM 1026 CD GLU A 64 12.047 -11.402 4.860 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.339 -12.128 5.574 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.287 -11.555 4.878 1.00 32.61 O ATOM 0 H GLU A 64 10.167 -7.271 2.062 1.00 10.04 H new ATOM 0 HA GLU A 64 9.283 -8.802 3.290 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.506 -8.683 5.339 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.047 -9.639 5.512 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.653 -10.869 3.361 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.156 -9.970 3.307 1.00 24.16 H new ATOM 1035 N SER A 65 9.141 -5.879 4.549 1.00 6.85 N ATOM 1036 CA SER A 65 8.319 -4.994 5.238 1.00 6.90 C ATOM 1037 C SER A 65 6.849 -5.189 5.183 1.00 4.72 C ATOM 1038 O SER A 65 6.313 -5.631 4.194 1.00 3.91 O ATOM 1039 CB SER A 65 8.635 -3.550 4.827 1.00 7.28 C ATOM 1040 OG SER A 65 8.105 -2.591 5.780 1.00 10.56 O ATOM 0 H SER A 65 9.640 -5.442 3.774 1.00 6.85 H new ATOM 0 HA SER A 65 8.570 -5.219 6.275 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.715 -3.423 4.745 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.215 -3.352 3.841 1.00 7.28 H new ATOM 0 HG SER A 65 8.326 -1.682 5.487 1.00 10.56 H new ATOM 1046 N THR A 66 6.101 -4.827 6.209 1.00 4.48 N ATOM 1047 CA THR A 66 4.659 -5.009 6.224 1.00 3.80 C ATOM 1048 C THR A 66 4.096 -3.598 6.280 1.00 4.60 C ATOM 1049 O THR A 66 4.655 -2.714 6.942 1.00 5.33 O ATOM 1050 CB THR A 66 4.239 -5.699 7.512 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.464 -7.083 7.440 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.800 -5.500 7.863 1.00 3.40 C ATOM 0 H THR A 66 6.475 -4.399 7.056 1.00 4.48 H new ATOM 0 HA THR A 66 4.321 -5.595 5.370 1.00 3.80 H new ATOM 0 HB THR A 66 4.852 -5.235 8.285 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.187 -7.504 8.281 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.577 -6.022 8.794 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.600 -4.436 7.987 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.173 -5.897 7.065 1.00 3.40 H new ATOM 1060 N LEU A 67 3.075 -3.351 5.427 1.00 4.17 N ATOM 1061 CA LEU A 67 2.362 -2.127 5.307 1.00 3.85 C ATOM 1062 C LEU A 67 0.973 -2.413 5.711 1.00 3.80 C ATOM 1063 O LEU A 67 0.482 -3.520 5.586 1.00 5.54 O ATOM 1064 CB LEU A 67 2.438 -1.573 3.844 1.00 7.18 C ATOM 1065 CG LEU A 67 3.877 -1.619 3.259 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.910 -1.344 1.720 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.907 -0.740 3.948 1.00 11.66 C ATOM 0 H LEU A 67 2.733 -4.063 4.782 1.00 4.17 H new ATOM 0 HA LEU A 67 2.794 -1.354 5.942 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.772 -2.153 3.205 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.077 -0.544 3.830 1.00 7.18 H new ATOM 0 HG LEU A 67 4.175 -2.648 3.461 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.939 -1.388 1.364 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.315 -2.097 1.203 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.499 -0.355 1.518 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.872 -0.855 3.454 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.592 0.302 3.892 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.997 -1.036 4.993 1.00 11.66 H new ATOM 1079 N HIS A 68 0.260 -1.413 6.209 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.081 -1.643 6.720 1.00 4.17 C ATOM 1081 C HIS A 68 -2.127 -0.984 5.887 1.00 5.32 C ATOM 1082 O HIS A 68 -2.079 0.228 5.683 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.128 -0.990 8.176 1.00 5.57 C ATOM 1084 CG HIS A 68 0.023 -1.698 8.915 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.098 -0.980 9.273 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.226 -2.979 9.413 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.898 -1.828 9.988 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.451 -3.064 10.056 1.00 16.30 N ATOM 0 H HIS A 68 0.583 -0.447 6.269 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.284 -2.714 6.718 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.979 0.089 8.139 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.087 -1.163 8.664 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.474 -3.796 9.313 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.818 -1.511 10.457 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.895 -3.880 10.477 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.236 -1.660 5.480 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.244 -1.041 4.562 1.00 3.97 C ATOM 1098 C LEU A 69 -5.550 -0.794 5.309 1.00 5.07 C ATOM 1099 O LEU A 69 -6.065 -1.643 6.045 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.502 -1.988 3.331 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.553 -1.553 2.274 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.062 -0.371 1.507 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.776 -2.682 1.252 1.00 9.96 C ATOM 0 H LEU A 69 -3.456 -2.615 5.764 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.856 -0.088 4.203 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.552 -2.130 2.816 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.803 -2.961 3.718 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.474 -1.316 2.806 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.810 -0.079 0.770 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.883 0.458 2.191 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.133 -0.628 0.998 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.515 -2.366 0.516 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.836 -2.908 0.749 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.135 -3.573 1.767 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.107 0.439 5.215 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.444 0.770 5.703 1.00 6.26 C ATOM 1117 C VAL A 70 -8.212 1.420 4.586 1.00 9.22 C ATOM 1118 O VAL A 70 -7.667 2.342 3.971 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.504 1.650 6.902 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.793 0.873 8.085 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.846 3.029 6.794 1.00 8.54 C ATOM 0 H VAL A 70 -5.625 1.232 4.791 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.876 -0.177 6.026 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.563 1.859 7.051 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.815 1.485 8.987 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.316 -0.065 8.270 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.758 0.664 7.813 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.964 3.563 7.737 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.785 2.910 6.575 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.320 3.597 5.994 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.434 0.983 4.203 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.130 1.443 2.971 1.00 16.06 C ATOM 1133 C LEU A 71 -11.008 2.736 3.215 1.00 18.09 C ATOM 1134 O LEU A 71 -11.844 2.705 4.113 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.061 0.395 2.333 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.394 -0.925 2.051 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.428 -1.981 1.519 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.167 -0.794 1.224 1.00 19.57 C ATOM 0 H LEU A 71 -9.969 0.300 4.739 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.303 1.649 2.292 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.910 0.227 2.995 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.458 0.796 1.401 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.025 -1.317 2.999 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.917 -2.924 1.324 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.206 -2.137 2.266 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.879 -1.616 0.597 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.734 -1.780 1.057 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.421 -0.342 0.265 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.444 -0.164 1.742 1.00 19.57 H new