USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 162:sc= 0.998 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 150:sc= 0.865 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.00859) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.48 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 0.108 (180deg=-0.511!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.434 K(o=0.43,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.57 (180deg=0.862!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.5!) USER MOD Single : A 41 GLN : amide:sc= 1.82 K(o=1.8,f=-1.7) 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=-0.00044) USER MOD Single : A 55 THR OG1 : rot -67:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.211 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 76:sc= 0.935 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.701 -7.139 -4.747 1.00 9.67 N ATOM 2 CA MET A 1 11.537 -7.109 -3.329 1.00 10.38 C ATOM 3 C MET A 1 10.143 -7.521 -2.857 1.00 9.62 C ATOM 4 O MET A 1 9.154 -6.994 -3.359 1.00 9.62 O ATOM 5 CB MET A 1 11.822 -5.764 -2.758 1.00 13.77 C ATOM 6 CG MET A 1 12.049 -5.756 -1.289 1.00 16.29 C ATOM 7 SD MET A 1 12.546 -4.177 -0.532 1.00 17.17 S ATOM 8 CE MET A 1 11.034 -3.224 -0.724 1.00 16.11 C ATOM 0 H1 MET A 1 12.653 -6.800 -4.994 1.00 9.67 H new ATOM 0 H2 MET A 1 11.581 -8.114 -5.090 1.00 9.67 H new ATOM 0 H3 MET A 1 10.989 -6.526 -5.192 1.00 9.67 H new ATOM 0 HA MET A 1 12.260 -7.841 -2.970 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.702 -5.352 -3.252 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.988 -5.101 -2.988 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.132 -6.089 -0.804 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.817 -6.496 -1.062 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.159 -2.246 -0.260 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.816 -3.097 -1.784 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.209 -3.750 -0.244 1.00 16.11 H new ATOM 20 N GLN A 2 10.017 -8.497 -1.904 1.00 9.27 N ATOM 21 CA GLN A 2 8.724 -8.877 -1.356 1.00 9.07 C ATOM 22 C GLN A 2 8.137 -8.000 -0.217 1.00 8.72 C ATOM 23 O GLN A 2 8.759 -7.757 0.842 1.00 8.22 O ATOM 24 CB GLN A 2 8.750 -10.403 -0.968 1.00 14.46 C ATOM 25 CG GLN A 2 7.313 -10.973 -0.894 1.00 17.01 C ATOM 26 CD GLN A 2 7.390 -12.479 -0.669 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.928 -12.989 0.309 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.714 -13.225 -1.620 1.00 19.49 N ATOM 0 H GLN A 2 10.805 -9.017 -1.518 1.00 9.27 H new ATOM 0 HA GLN A 2 8.018 -8.685 -2.164 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.330 -10.960 -1.703 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.247 -10.530 -0.006 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.761 -10.498 -0.083 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.774 -10.757 -1.816 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.281 -12.761 -2.418 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.649 -14.238 -1.522 1.00 19.49 H new ATOM 37 N ILE A 3 6.899 -7.523 -0.366 1.00 5.87 N ATOM 38 CA ILE A 3 6.279 -6.779 0.753 1.00 5.07 C ATOM 39 C ILE A 3 4.925 -7.442 1.143 1.00 4.01 C ATOM 40 O ILE A 3 4.176 -7.917 0.266 1.00 4.61 O ATOM 41 CB ILE A 3 6.177 -5.296 0.585 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.403 -4.961 -0.722 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.553 -4.558 0.630 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.022 -3.459 -0.862 1.00 10.83 C ATOM 0 H ILE A 3 6.323 -7.626 -1.202 1.00 5.87 H new ATOM 0 HA ILE A 3 6.978 -6.864 1.585 1.00 5.07 H new ATOM 0 HB ILE A 3 5.621 -4.923 1.445 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.012 -5.253 -1.578 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.494 -5.561 -0.758 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.396 -3.487 0.501 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.033 -4.741 1.591 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.192 -4.930 -0.171 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.485 -3.306 -1.798 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.386 -3.166 -0.027 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.927 -2.852 -0.859 1.00 10.83 H new ATOM 56 N PHE A 4 4.645 -7.443 2.458 1.00 4.55 N ATOM 57 CA PHE A 4 3.329 -7.870 2.975 1.00 4.68 C ATOM 58 C PHE A 4 2.479 -6.655 3.325 1.00 5.30 C ATOM 59 O PHE A 4 2.905 -5.656 3.856 1.00 5.58 O ATOM 60 CB PHE A 4 3.488 -8.629 4.282 1.00 4.83 C ATOM 61 CG PHE A 4 4.512 -9.789 4.078 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.304 -10.693 3.033 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.532 -10.020 4.992 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.114 -11.836 2.957 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.441 -11.049 4.871 1.00 10.61 C ATOM 66 CZ PHE A 4 6.153 -12.034 3.921 1.00 8.90 C ATOM 0 H PHE A 4 5.306 -7.155 3.180 1.00 4.55 H new ATOM 0 HA PHE A 4 2.871 -8.485 2.200 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.833 -7.957 5.068 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.526 -9.029 4.604 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.534 -10.515 2.297 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.617 -9.359 5.842 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.954 -12.563 2.175 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.332 -11.092 5.480 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.720 -12.953 3.915 1.00 8.90 H new ATOM 76 N VAL A 5 1.223 -6.640 2.918 1.00 4.44 N ATOM 77 CA VAL A 5 0.123 -5.682 3.291 1.00 3.87 C ATOM 78 C VAL A 5 -0.850 -6.487 4.098 1.00 4.93 C ATOM 79 O VAL A 5 -1.460 -7.456 3.617 1.00 6.84 O ATOM 80 CB VAL A 5 -0.489 -5.050 2.069 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.691 -4.219 2.519 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.446 -4.089 1.293 1.00 9.13 C ATOM 0 H VAL A 5 0.887 -7.345 2.262 1.00 4.44 H new ATOM 0 HA VAL A 5 0.488 -4.837 3.875 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.737 -5.874 1.399 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.154 -3.749 1.651 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.417 -4.866 3.012 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.360 -3.449 3.216 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.083 -3.684 0.430 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.752 -3.273 1.947 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.328 -4.633 0.955 1.00 9.13 H new ATOM 92 N LYS A 6 -1.120 -6.124 5.354 1.00 6.04 N ATOM 93 CA LYS A 6 -2.165 -6.738 6.210 1.00 6.12 C ATOM 94 C LYS A 6 -3.309 -5.816 6.375 1.00 6.57 C ATOM 95 O LYS A 6 -3.144 -4.634 6.724 1.00 5.76 O ATOM 96 CB LYS A 6 -1.579 -7.160 7.492 1.00 7.45 C ATOM 97 CG LYS A 6 -0.646 -8.420 7.419 1.00 11.12 C ATOM 98 CD LYS A 6 -0.428 -8.966 8.820 1.00 14.54 C ATOM 99 CE LYS A 6 0.525 -10.152 8.963 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.055 -11.409 8.553 1.00 20.55 N ATOM 0 H LYS A 6 -0.611 -5.377 5.826 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.557 -7.633 5.726 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.007 -6.328 7.903 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.388 -7.367 8.192 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.096 -9.184 6.785 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.310 -8.153 6.968 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.055 -8.155 9.445 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.397 -9.260 9.223 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.420 -9.963 8.370 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.843 -10.229 10.003 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.702 -12.101 8.382 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.684 -11.762 9.302 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.601 -11.271 7.679 1.00 20.55 H new ATOM 114 N THR A 7 -4.582 -6.224 6.048 1.00 7.41 N ATOM 115 CA THR A 7 -5.747 -5.382 6.282 1.00 7.48 C ATOM 116 C THR A 7 -6.167 -5.266 7.788 1.00 8.75 C ATOM 117 O THR A 7 -5.756 -6.033 8.663 1.00 8.58 O ATOM 118 CB THR A 7 -6.891 -5.732 5.421 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.526 -7.012 5.661 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.351 -5.799 4.001 1.00 9.17 C ATOM 0 H THR A 7 -4.797 -7.128 5.627 1.00 7.41 H new ATOM 0 HA THR A 7 -5.419 -4.384 5.992 1.00 7.48 H new ATOM 0 HB THR A 7 -7.650 -4.976 5.623 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.269 -7.131 5.033 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.159 -6.056 3.316 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.935 -4.830 3.724 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.571 -6.559 3.944 1.00 9.17 H new ATOM 128 N LEU A 8 -7.121 -4.451 8.184 1.00 9.84 N ATOM 129 CA LEU A 8 -7.494 -4.439 9.610 1.00 14.15 C ATOM 130 C LEU A 8 -8.258 -5.612 10.154 1.00 17.37 C ATOM 131 O LEU A 8 -8.279 -5.959 11.331 1.00 17.01 O ATOM 132 CB LEU A 8 -8.403 -3.226 9.978 1.00 16.63 C ATOM 133 CG LEU A 8 -7.601 -1.872 10.037 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.565 -0.703 10.207 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.459 -1.924 11.079 1.00 18.59 C ATOM 0 H LEU A 8 -7.640 -3.811 7.583 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.497 -4.425 10.049 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.204 -3.139 9.244 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.875 -3.408 10.944 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.089 -1.711 9.088 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.002 0.230 10.247 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.255 -0.675 9.364 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.128 -0.827 11.132 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.931 -0.971 11.088 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.877 -2.117 12.067 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.764 -2.721 10.817 1.00 18.59 H new ATOM 147 N THR A 9 -8.860 -6.321 9.233 1.00 18.33 N ATOM 148 CA THR A 9 -9.633 -7.552 9.459 1.00 19.24 C ATOM 149 C THR A 9 -8.676 -8.768 9.288 1.00 19.48 C ATOM 150 O THR A 9 -9.072 -9.946 9.318 1.00 23.14 O ATOM 151 CB THR A 9 -10.852 -7.710 8.584 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.692 -7.545 7.132 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.819 -6.607 9.031 1.00 19.70 C ATOM 0 H THR A 9 -8.833 -6.055 8.249 1.00 18.33 H new ATOM 0 HA THR A 9 -10.032 -7.493 10.472 1.00 19.24 H new ATOM 0 HB THR A 9 -11.168 -8.745 8.713 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.557 -7.675 6.691 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.731 -6.660 8.437 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.064 -6.743 10.084 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.350 -5.633 8.890 1.00 19.70 H new ATOM 161 N GLY A 10 -7.333 -8.578 9.036 1.00 19.43 N ATOM 162 CA GLY A 10 -6.354 -9.627 9.208 1.00 18.74 C ATOM 163 C GLY A 10 -6.008 -10.446 7.991 1.00 17.62 C ATOM 164 O GLY A 10 -5.221 -11.364 8.052 1.00 19.74 O ATOM 0 H GLY A 10 -6.940 -7.693 8.714 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.436 -9.175 9.585 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.716 -10.305 9.981 1.00 18.74 H new ATOM 168 N LYS A 11 -6.537 -10.089 6.842 1.00 13.56 N ATOM 169 CA LYS A 11 -6.185 -10.555 5.479 1.00 11.91 C ATOM 170 C LYS A 11 -4.809 -10.033 5.067 1.00 10.18 C ATOM 171 O LYS A 11 -4.492 -8.868 5.317 1.00 9.10 O ATOM 172 CB LYS A 11 -7.308 -10.231 4.487 1.00 13.43 C ATOM 173 CG LYS A 11 -7.427 -11.158 3.270 1.00 16.69 C ATOM 174 CD LYS A 11 -8.700 -10.957 2.374 1.00 17.92 C ATOM 175 CE LYS A 11 -8.968 -12.148 1.483 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.868 -12.302 0.490 1.00 21.93 N ATOM 0 H LYS A 11 -7.293 -9.405 6.813 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.098 -11.642 5.476 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.256 -10.249 5.025 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.164 -9.212 4.128 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.543 -11.022 2.647 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.414 -12.190 3.621 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.566 -10.781 3.012 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.571 -10.067 1.758 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -9.053 -13.052 2.086 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.919 -12.019 0.967 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.770 -13.305 0.233 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.088 -11.746 -0.361 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.977 -11.962 0.904 1.00 21.93 H new ATOM 190 N THR A 12 -4.011 -10.915 4.436 1.00 9.63 N ATOM 191 CA THR A 12 -2.564 -10.651 4.180 1.00 9.85 C ATOM 192 C THR A 12 -2.435 -10.724 2.670 1.00 11.66 C ATOM 193 O THR A 12 -2.904 -11.665 2.044 1.00 12.33 O ATOM 194 CB THR A 12 -1.577 -11.671 4.827 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.662 -11.690 6.228 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.162 -11.218 4.526 1.00 9.63 C ATOM 0 H THR A 12 -4.334 -11.819 4.091 1.00 9.63 H new ATOM 0 HA THR A 12 -2.290 -9.694 4.625 1.00 9.85 H new ATOM 0 HB THR A 12 -1.828 -12.653 4.425 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.439 -12.586 6.557 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.546 -11.918 4.970 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.012 -11.185 3.447 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.001 -10.225 4.945 1.00 9.63 H new ATOM 204 N ILE A 13 -1.755 -9.696 2.101 1.00 10.42 N ATOM 205 CA ILE A 13 -1.615 -9.546 0.676 1.00 11.84 C ATOM 206 C ILE A 13 -0.101 -9.526 0.492 1.00 10.55 C ATOM 207 O ILE A 13 0.685 -8.968 1.299 1.00 11.92 O ATOM 208 CB ILE A 13 -2.201 -8.290 0.138 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.670 -8.060 0.464 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.916 -8.291 -1.374 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.233 -6.621 0.054 1.00 16.46 C ATOM 0 H ILE A 13 -1.297 -8.961 2.640 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.142 -10.338 0.143 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.730 -7.442 0.635 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.263 -8.823 -0.040 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.816 -8.199 1.535 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.327 -7.386 -1.822 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.839 -8.322 -1.541 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.380 -9.165 -1.831 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.286 -6.552 0.326 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.671 -5.848 0.578 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.126 -6.481 -1.022 1.00 16.46 H new ATOM 223 N THR A 14 0.438 -10.158 -0.568 1.00 9.39 N ATOM 224 CA THR A 14 1.829 -10.346 -0.773 1.00 9.63 C ATOM 225 C THR A 14 2.266 -10.105 -2.189 1.00 11.20 C ATOM 226 O THR A 14 1.931 -10.878 -3.095 1.00 11.63 O ATOM 227 CB THR A 14 2.202 -11.805 -0.418 1.00 10.38 C ATOM 228 OG1 THR A 14 1.781 -12.029 0.940 1.00 16.30 O ATOM 229 CG2 THR A 14 3.692 -12.178 -0.516 1.00 11.66 C ATOM 0 H THR A 14 -0.132 -10.555 -1.315 1.00 9.39 H new ATOM 0 HA THR A 14 2.331 -9.618 -0.136 1.00 9.63 H new ATOM 0 HB THR A 14 1.705 -12.428 -1.162 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.000 -12.947 1.203 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.824 -13.225 -0.243 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.039 -12.023 -1.537 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.270 -11.551 0.163 1.00 11.66 H new ATOM 237 N LEU A 15 3.123 -9.068 -2.301 1.00 8.29 N ATOM 238 CA LEU A 15 3.581 -8.656 -3.585 1.00 9.03 C ATOM 239 C LEU A 15 5.046 -8.563 -3.864 1.00 8.59 C ATOM 240 O LEU A 15 5.845 -8.474 -2.937 1.00 7.79 O ATOM 241 CB LEU A 15 3.108 -7.169 -3.766 1.00 11.08 C ATOM 242 CG LEU A 15 1.596 -6.904 -3.559 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.242 -5.397 -3.705 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.809 -7.796 -4.506 1.00 15.27 C ATOM 0 H LEU A 15 3.489 -8.529 -1.516 1.00 8.29 H new ATOM 0 HA LEU A 15 3.192 -9.438 -4.237 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.664 -6.545 -3.067 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.379 -6.843 -4.770 1.00 11.08 H new ATOM 0 HG LEU A 15 1.318 -7.158 -2.536 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.172 -5.258 -3.552 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.793 -4.820 -2.962 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.513 -5.055 -4.704 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.258 -7.619 -4.370 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.086 -7.568 -5.535 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.034 -8.841 -4.292 1.00 15.27 H new ATOM 256 N GLU A 16 5.419 -8.705 -5.154 1.00 11.04 N ATOM 257 CA GLU A 16 6.808 -8.452 -5.623 1.00 11.50 C ATOM 258 C GLU A 16 6.827 -7.075 -6.195 1.00 10.13 C ATOM 259 O GLU A 16 6.063 -6.672 -7.063 1.00 9.83 O ATOM 260 CB GLU A 16 7.262 -9.374 -6.809 1.00 17.22 C ATOM 261 CG GLU A 16 8.698 -9.278 -7.296 1.00 23.33 C ATOM 262 CD GLU A 16 9.767 -9.921 -6.361 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.629 -11.058 -5.845 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.786 -9.237 -6.102 1.00 28.90 O ATOM 0 H GLU A 16 4.780 -8.994 -5.894 1.00 11.04 H new ATOM 0 HA GLU A 16 7.463 -8.624 -4.769 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.081 -10.407 -6.513 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.610 -9.167 -7.658 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.764 -9.753 -8.275 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.947 -8.226 -7.434 1.00 23.33 H new ATOM 271 N VAL A 17 7.676 -6.170 -5.644 1.00 8.99 N ATOM 272 CA VAL A 17 7.701 -4.733 -5.916 1.00 8.85 C ATOM 273 C VAL A 17 9.135 -4.386 -6.161 1.00 8.04 C ATOM 274 O VAL A 17 10.013 -5.179 -5.799 1.00 8.99 O ATOM 275 CB VAL A 17 7.158 -3.846 -4.789 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.642 -4.053 -4.669 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.876 -4.051 -3.394 1.00 10.54 C ATOM 0 H VAL A 17 8.389 -6.448 -4.969 1.00 8.99 H new ATOM 0 HA VAL A 17 7.043 -4.540 -6.763 1.00 8.85 H new ATOM 0 HB VAL A 17 7.378 -2.815 -5.064 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.251 -3.424 -3.869 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.162 -3.783 -5.610 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.434 -5.099 -4.443 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.431 -3.386 -2.654 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.755 -5.085 -3.071 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.937 -3.824 -3.494 1.00 10.54 H new ATOM 287 N GLU A 18 9.468 -3.183 -6.676 1.00 7.29 N ATOM 288 CA GLU A 18 10.769 -2.618 -6.545 1.00 7.08 C ATOM 289 C GLU A 18 10.792 -1.680 -5.418 1.00 6.45 C ATOM 290 O GLU A 18 9.748 -1.116 -5.068 1.00 5.28 O ATOM 291 CB GLU A 18 11.202 -1.826 -7.817 1.00 10.28 C ATOM 292 CG GLU A 18 11.147 -2.701 -9.090 1.00 12.65 C ATOM 293 CD GLU A 18 11.736 -1.953 -10.308 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.947 -1.602 -10.301 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.926 -1.753 -11.245 1.00 18.17 O ATOM 0 H GLU A 18 8.814 -2.595 -7.194 1.00 7.29 H new ATOM 0 HA GLU A 18 11.456 -3.450 -6.391 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.552 -0.960 -7.944 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.215 -1.447 -7.681 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.702 -3.625 -8.924 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.114 -2.982 -9.297 1.00 12.65 H new ATOM 302 N PRO A 19 11.848 -1.334 -4.721 1.00 7.24 N ATOM 303 CA PRO A 19 11.772 -0.414 -3.626 1.00 7.07 C ATOM 304 C PRO A 19 11.668 0.952 -4.157 1.00 6.65 C ATOM 305 O PRO A 19 11.420 1.900 -3.410 1.00 6.37 O ATOM 306 CB PRO A 19 13.051 -0.594 -2.896 1.00 7.61 C ATOM 307 CG PRO A 19 14.081 -1.209 -3.864 1.00 8.16 C ATOM 308 CD PRO A 19 13.185 -1.925 -4.924 1.00 7.49 C ATOM 0 HA PRO A 19 10.911 -0.583 -2.980 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.410 0.363 -2.518 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.907 -1.244 -2.033 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.713 -0.446 -4.319 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.743 -1.910 -3.356 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.549 -1.751 -5.937 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.171 -3.004 -4.771 1.00 7.49 H new ATOM 316 N SER A 20 11.803 1.199 -5.451 1.00 6.80 N ATOM 317 CA SER A 20 11.642 2.407 -6.216 1.00 6.28 C ATOM 318 C SER A 20 10.238 2.575 -6.809 1.00 8.45 C ATOM 319 O SER A 20 9.956 3.654 -7.362 1.00 7.26 O ATOM 320 CB SER A 20 12.707 2.361 -7.266 1.00 8.57 C ATOM 321 OG SER A 20 12.673 1.193 -8.093 1.00 11.13 O ATOM 0 H SER A 20 12.068 0.434 -6.071 1.00 6.80 H new ATOM 0 HA SER A 20 11.748 3.282 -5.575 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.613 3.243 -7.900 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.681 2.419 -6.781 1.00 8.57 H new ATOM 0 HG SER A 20 13.396 1.238 -8.753 1.00 11.13 H new ATOM 327 N ASP A 21 9.318 1.592 -6.601 1.00 7.50 N ATOM 328 CA ASP A 21 7.858 1.686 -6.967 1.00 7.70 C ATOM 329 C ASP A 21 7.059 2.676 -6.181 1.00 7.08 C ATOM 330 O ASP A 21 7.248 2.789 -4.974 1.00 8.11 O ATOM 331 CB ASP A 21 7.236 0.289 -6.951 1.00 11.00 C ATOM 332 CG ASP A 21 7.359 -0.504 -8.215 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.158 0.110 -9.250 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.505 -1.783 -8.168 1.00 14.36 O ATOM 0 H ASP A 21 9.562 0.700 -6.171 1.00 7.50 H new ATOM 0 HA ASP A 21 7.823 2.093 -7.977 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.695 -0.281 -6.143 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.178 0.388 -6.710 1.00 11.00 H new ATOM 339 N THR A 22 6.165 3.404 -6.880 1.00 5.37 N ATOM 340 CA THR A 22 5.294 4.332 -6.230 1.00 6.01 C ATOM 341 C THR A 22 4.111 3.671 -5.589 1.00 8.01 C ATOM 342 O THR A 22 3.687 2.582 -6.015 1.00 8.11 O ATOM 343 CB THR A 22 4.710 5.398 -7.182 1.00 8.92 C ATOM 344 OG1 THR A 22 4.168 4.852 -8.392 1.00 10.22 O ATOM 345 CG2 THR A 22 5.858 6.383 -7.504 1.00 9.65 C ATOM 0 H THR A 22 6.047 3.349 -7.892 1.00 5.37 H new ATOM 0 HA THR A 22 5.940 4.795 -5.484 1.00 6.01 H new ATOM 0 HB THR A 22 3.871 5.889 -6.690 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.814 5.577 -8.948 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.494 7.159 -8.177 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.214 6.841 -6.581 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.677 5.844 -7.981 1.00 9.65 H new ATOM 353 N ILE A 23 3.536 4.295 -4.574 1.00 8.32 N ATOM 354 CA ILE A 23 2.324 3.859 -3.825 1.00 9.92 C ATOM 355 C ILE A 23 1.099 3.686 -4.758 1.00 10.01 C ATOM 356 O ILE A 23 0.250 2.787 -4.575 1.00 8.71 O ATOM 357 CB ILE A 23 2.000 4.843 -2.722 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.168 4.955 -1.779 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.774 4.372 -1.865 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.585 3.642 -1.056 1.00 12.30 C ATOM 0 H ILE A 23 3.909 5.173 -4.214 1.00 8.32 H new ATOM 0 HA ILE A 23 2.548 2.887 -3.385 1.00 9.92 H new ATOM 0 HB ILE A 23 1.774 5.794 -3.204 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.027 5.328 -2.337 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.930 5.703 -1.023 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.573 5.105 -1.084 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.102 4.275 -2.506 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.998 3.408 -1.409 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.435 3.840 -0.403 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.749 3.273 -0.462 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.863 2.892 -1.796 1.00 12.30 H new ATOM 372 N GLU A 24 1.016 4.544 -5.825 1.00 9.54 N ATOM 373 CA GLU A 24 0.150 4.409 -6.998 1.00 11.81 C ATOM 374 C GLU A 24 0.325 3.137 -7.808 1.00 11.14 C ATOM 375 O GLU A 24 -0.613 2.457 -8.188 1.00 10.62 O ATOM 376 CB GLU A 24 0.234 5.668 -7.910 1.00 19.24 C ATOM 377 CG GLU A 24 -0.613 5.687 -9.207 1.00 27.76 C ATOM 378 CD GLU A 24 -0.500 6.987 -9.970 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.171 7.931 -9.537 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.074 7.118 -11.090 1.00 34.80 O ATOM 0 H GLU A 24 1.590 5.386 -5.872 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.853 4.326 -6.578 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.053 6.533 -7.312 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.278 5.807 -8.191 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.298 4.866 -9.851 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.658 5.511 -8.954 1.00 27.76 H new ATOM 387 N ASN A 25 1.552 2.678 -8.032 1.00 9.43 N ATOM 388 CA ASN A 25 1.825 1.288 -8.482 1.00 10.96 C ATOM 389 C ASN A 25 1.461 0.217 -7.449 1.00 9.68 C ATOM 390 O ASN A 25 0.828 -0.790 -7.825 1.00 9.33 O ATOM 391 CB ASN A 25 3.334 1.034 -8.892 1.00 16.78 C ATOM 392 CG ASN A 25 3.798 1.879 -10.024 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.999 2.419 -10.761 1.00 25.66 O ATOM 394 ND2 ASN A 25 5.120 2.035 -10.242 1.00 24.70 N ATOM 0 H ASN A 25 2.392 3.244 -7.912 1.00 9.43 H new ATOM 0 HA ASN A 25 1.179 1.196 -9.355 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.972 1.219 -8.028 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.456 -0.015 -9.160 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.444 2.605 -11.023 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.795 1.583 -9.625 1.00 24.70 H new ATOM 401 N VAL A 26 1.754 0.419 -6.119 1.00 6.52 N ATOM 402 CA VAL A 26 1.541 -0.626 -5.103 1.00 5.53 C ATOM 403 C VAL A 26 0.020 -0.854 -4.904 1.00 4.42 C ATOM 404 O VAL A 26 -0.453 -2.000 -4.832 1.00 3.40 O ATOM 405 CB VAL A 26 2.314 -0.324 -3.845 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.032 -1.309 -2.672 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.850 -0.412 -4.204 1.00 8.12 C ATOM 0 H VAL A 26 2.133 1.291 -5.749 1.00 6.52 H new ATOM 0 HA VAL A 26 1.945 -1.579 -5.444 1.00 5.53 H new ATOM 0 HB VAL A 26 2.005 0.663 -3.502 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.627 -1.022 -1.805 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.974 -1.274 -2.414 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.298 -2.322 -2.975 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.444 -0.199 -3.315 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.083 -1.414 -4.564 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.084 0.316 -4.981 1.00 8.12 H new ATOM 417 N LYS A 27 -0.860 0.222 -4.871 1.00 2.64 N ATOM 418 CA LYS A 27 -2.299 0.110 -4.915 1.00 4.14 C ATOM 419 C LYS A 27 -2.958 -0.552 -6.128 1.00 5.58 C ATOM 420 O LYS A 27 -3.957 -1.288 -6.057 1.00 4.11 O ATOM 421 CB LYS A 27 -3.019 1.536 -4.642 1.00 3.97 C ATOM 422 CG LYS A 27 -2.669 2.176 -3.299 1.00 7.45 C ATOM 423 CD LYS A 27 -3.436 3.515 -3.082 1.00 9.02 C ATOM 424 CE LYS A 27 -3.106 4.595 -4.078 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.077 5.747 -4.035 1.00 15.47 N ATOM 0 H LYS A 27 -0.538 1.188 -4.812 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.465 -0.604 -4.108 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.746 2.225 -5.441 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.099 1.399 -4.694 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.910 1.484 -2.492 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.596 2.360 -3.252 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.507 3.316 -3.123 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.219 3.885 -2.080 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.100 4.967 -3.884 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.100 4.168 -5.081 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.975 6.319 -4.897 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.048 5.380 -3.976 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.878 6.338 -3.202 1.00 15.47 H new ATOM 439 N ALA A 28 -2.401 -0.348 -7.332 1.00 6.61 N ATOM 440 CA ALA A 28 -2.847 -1.025 -8.502 1.00 7.74 C ATOM 441 C ALA A 28 -2.662 -2.560 -8.378 1.00 9.17 C ATOM 442 O ALA A 28 -3.581 -3.341 -8.637 1.00 11.45 O ATOM 443 CB ALA A 28 -2.111 -0.499 -9.786 1.00 7.68 C ATOM 0 H ALA A 28 -1.628 0.298 -7.494 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.912 -0.813 -8.602 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.476 -1.038 -10.661 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.308 0.566 -9.908 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.038 -0.660 -9.682 1.00 7.68 H new ATOM 449 N LYS A 29 -1.530 -3.093 -7.832 1.00 8.96 N ATOM 450 CA LYS A 29 -1.335 -4.533 -7.542 1.00 7.90 C ATOM 451 C LYS A 29 -2.197 -5.060 -6.487 1.00 6.92 C ATOM 452 O LYS A 29 -2.561 -6.207 -6.498 1.00 6.87 O ATOM 453 CB LYS A 29 0.137 -4.690 -7.038 1.00 10.28 C ATOM 454 CG LYS A 29 1.116 -4.174 -8.064 1.00 14.94 C ATOM 455 CD LYS A 29 2.592 -4.509 -7.558 1.00 19.69 C ATOM 456 CE LYS A 29 3.781 -3.703 -8.117 1.00 22.63 C ATOM 457 NZ LYS A 29 3.822 -3.921 -9.601 1.00 24.98 N ATOM 0 H LYS A 29 -0.723 -2.523 -7.581 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.571 -5.082 -8.454 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.265 -4.146 -6.102 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.344 -5.739 -6.828 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.932 -4.639 -9.033 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.995 -3.099 -8.198 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.600 -4.396 -6.474 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.780 -5.561 -7.771 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.666 -2.643 -7.889 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.714 -4.028 -7.657 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.617 -3.388 -10.008 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.947 -4.934 -9.800 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.931 -3.592 -10.025 1.00 24.98 H new ATOM 471 N ILE A 30 -2.535 -4.190 -5.462 1.00 4.57 N ATOM 472 CA ILE A 30 -3.489 -4.553 -4.467 1.00 5.58 C ATOM 473 C ILE A 30 -4.922 -4.640 -5.124 1.00 7.26 C ATOM 474 O ILE A 30 -5.696 -5.551 -4.771 1.00 9.46 O ATOM 475 CB ILE A 30 -3.396 -3.604 -3.353 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.092 -3.764 -2.582 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.635 -3.778 -2.372 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.861 -2.662 -1.522 1.00 2.00 C ATOM 0 H ILE A 30 -2.138 -3.257 -5.349 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.285 -5.541 -4.054 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.412 -2.600 -3.777 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.087 -4.737 -2.090 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.260 -3.759 -3.286 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.551 -3.067 -1.550 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.560 -3.594 -2.918 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.644 -4.793 -1.974 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.914 -2.840 -1.013 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.833 -1.688 -2.010 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.673 -2.680 -0.795 1.00 2.00 H new ATOM 490 N GLN A 31 -5.314 -3.740 -6.068 1.00 7.06 N ATOM 491 CA GLN A 31 -6.577 -3.864 -6.723 1.00 8.67 C ATOM 492 C GLN A 31 -6.552 -5.121 -7.537 1.00 10.90 C ATOM 493 O GLN A 31 -7.497 -5.907 -7.507 1.00 9.63 O ATOM 494 CB GLN A 31 -6.826 -2.580 -7.646 1.00 9.12 C ATOM 495 CG GLN A 31 -8.263 -2.538 -8.327 1.00 10.76 C ATOM 496 CD GLN A 31 -8.523 -1.310 -9.176 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.565 -0.710 -9.174 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.527 -1.047 -10.010 1.00 14.76 N ATOM 0 H GLN A 31 -4.756 -2.940 -6.366 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.391 -3.918 -6.001 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.695 -1.682 -7.043 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.065 -2.554 -8.426 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.382 -3.425 -8.949 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.022 -2.591 -7.547 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.666 -1.591 -9.963 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.622 -0.300 -10.698 1.00 14.76 H new ATOM 507 N ASP A 32 -5.509 -5.360 -8.328 1.00 10.93 N ATOM 508 CA ASP A 32 -5.354 -6.610 -9.065 1.00 14.01 C ATOM 509 C ASP A 32 -5.478 -7.881 -8.191 1.00 14.04 C ATOM 510 O ASP A 32 -6.270 -8.787 -8.383 1.00 13.39 O ATOM 511 CB ASP A 32 -4.009 -6.583 -9.904 1.00 18.01 C ATOM 512 CG ASP A 32 -3.803 -7.794 -10.768 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.638 -7.956 -11.739 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.849 -8.576 -10.477 1.00 25.17 O ATOM 0 H ASP A 32 -4.750 -4.695 -8.475 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.197 -6.676 -9.753 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.004 -5.694 -10.535 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.167 -6.491 -9.218 1.00 18.01 H new ATOM 519 N LYS A 33 -4.766 -7.925 -7.019 1.00 14.22 N ATOM 520 CA LYS A 33 -4.959 -8.991 -6.046 1.00 14.00 C ATOM 521 C LYS A 33 -6.366 -9.123 -5.497 1.00 12.37 C ATOM 522 O LYS A 33 -7.007 -10.177 -5.566 1.00 12.17 O ATOM 523 CB LYS A 33 -4.028 -8.867 -4.837 1.00 18.62 C ATOM 524 CG LYS A 33 -2.535 -9.195 -5.075 1.00 24.00 C ATOM 525 CD LYS A 33 -2.261 -10.716 -5.313 1.00 27.61 C ATOM 526 CE LYS A 33 -0.748 -11.039 -5.488 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.563 -12.355 -6.017 1.00 30.06 N ATOM 0 H LYS A 33 -4.067 -7.232 -6.751 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.730 -9.878 -6.637 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.096 -7.847 -4.458 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.400 -9.525 -4.052 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.180 -8.631 -5.937 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.956 -8.860 -4.215 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.654 -11.287 -4.472 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.802 -11.043 -6.201 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.291 -10.308 -6.155 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.241 -10.955 -4.527 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.454 -12.546 -6.124 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.980 -13.052 -5.367 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.028 -12.425 -6.945 1.00 30.06 H new ATOM 541 N GLU A 34 -6.879 -8.018 -4.881 1.00 10.11 N ATOM 542 CA GLU A 34 -8.003 -8.145 -3.922 1.00 10.07 C ATOM 543 C GLU A 34 -9.252 -7.395 -4.331 1.00 9.32 C ATOM 544 O GLU A 34 -10.158 -7.231 -3.487 1.00 11.61 O ATOM 545 CB GLU A 34 -7.626 -7.690 -2.505 1.00 14.77 C ATOM 546 CG GLU A 34 -6.608 -8.641 -1.822 1.00 18.75 C ATOM 547 CD GLU A 34 -7.240 -9.913 -1.564 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.253 -9.978 -0.794 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.811 -10.960 -2.043 1.00 25.19 O ATOM 0 H GLU A 34 -6.543 -7.066 -5.027 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.220 -9.213 -3.929 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.205 -6.686 -2.550 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.527 -7.631 -1.895 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.736 -8.779 -2.462 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.253 -8.203 -0.889 1.00 18.75 H new ATOM 556 N GLY A 35 -9.371 -6.824 -5.565 1.00 7.22 N ATOM 557 CA GLY A 35 -10.563 -6.192 -5.980 1.00 6.29 C ATOM 558 C GLY A 35 -10.865 -4.788 -5.426 1.00 6.93 C ATOM 559 O GLY A 35 -11.913 -4.177 -5.731 1.00 7.41 O ATOM 0 H GLY A 35 -8.625 -6.813 -6.261 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.545 -6.125 -7.068 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.396 -6.843 -5.714 1.00 6.29 H new ATOM 563 N ILE A 36 -9.983 -4.216 -4.559 1.00 5.86 N ATOM 564 CA ILE A 36 -10.147 -2.982 -3.840 1.00 6.07 C ATOM 565 C ILE A 36 -9.786 -1.792 -4.686 1.00 6.36 C ATOM 566 O ILE A 36 -8.614 -1.636 -4.952 1.00 6.18 O ATOM 567 CB ILE A 36 -9.462 -2.913 -2.456 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.512 -4.250 -1.689 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.044 -1.744 -1.674 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.747 -4.165 -0.308 1.00 9.49 C ATOM 0 H ILE A 36 -9.088 -4.658 -4.351 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.213 -2.952 -3.616 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.396 -2.735 -2.600 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.551 -4.529 -1.512 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.071 -5.037 -2.301 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.567 -1.687 -0.696 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.866 -0.817 -2.219 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.117 -1.890 -1.546 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.806 -5.127 0.201 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.702 -3.912 -0.486 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.205 -3.397 0.315 1.00 9.49 H new ATOM 582 N PRO A 37 -10.680 -0.870 -5.060 1.00 8.65 N ATOM 583 CA PRO A 37 -10.286 0.392 -5.736 1.00 9.18 C ATOM 584 C PRO A 37 -9.180 1.237 -5.099 1.00 9.85 C ATOM 585 O PRO A 37 -9.249 1.480 -3.884 1.00 8.51 O ATOM 586 CB PRO A 37 -11.571 1.260 -5.842 1.00 11.42 C ATOM 587 CG PRO A 37 -12.686 0.267 -5.583 1.00 9.27 C ATOM 588 CD PRO A 37 -12.082 -0.829 -4.637 1.00 8.33 C ATOM 0 HA PRO A 37 -9.849 0.084 -6.686 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.573 2.067 -5.109 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.664 1.722 -6.825 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.542 0.755 -5.117 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.039 -0.174 -6.515 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.182 -0.558 -3.586 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.574 -1.793 -4.766 1.00 8.33 H new ATOM 596 N PRO A 38 -8.222 1.790 -5.902 1.00 8.71 N ATOM 597 CA PRO A 38 -7.128 2.569 -5.334 1.00 9.08 C ATOM 598 C PRO A 38 -7.481 3.903 -4.776 1.00 9.28 C ATOM 599 O PRO A 38 -6.608 4.412 -4.031 1.00 6.50 O ATOM 600 CB PRO A 38 -6.139 2.788 -6.552 1.00 10.31 C ATOM 601 CG PRO A 38 -6.348 1.531 -7.416 1.00 10.81 C ATOM 602 CD PRO A 38 -7.806 1.209 -7.211 1.00 12.00 C ATOM 0 HA PRO A 38 -6.731 2.023 -4.478 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.377 3.698 -7.103 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.105 2.878 -6.218 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.122 1.722 -8.465 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.706 0.711 -7.095 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.406 1.624 -8.021 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.964 0.130 -7.217 1.00 12.00 H new ATOM 610 N ASP A 39 -8.725 4.372 -5.034 1.00 11.20 N ATOM 611 CA ASP A 39 -9.309 5.610 -4.493 1.00 14.96 C ATOM 612 C ASP A 39 -10.076 5.214 -3.261 1.00 13.99 C ATOM 613 O ASP A 39 -10.705 6.046 -2.550 1.00 13.75 O ATOM 614 CB ASP A 39 -10.204 6.461 -5.423 1.00 24.16 C ATOM 615 CG ASP A 39 -9.473 6.684 -6.702 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.354 7.259 -6.724 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.013 6.318 -7.769 1.00 35.55 O ATOM 0 H ASP A 39 -9.369 3.875 -5.649 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.470 6.282 -4.311 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.149 5.952 -5.610 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.443 7.414 -4.951 1.00 24.16 H new ATOM 622 N GLN A 40 -10.214 3.884 -2.917 1.00 11.60 N ATOM 623 CA GLN A 40 -10.792 3.572 -1.635 1.00 10.76 C ATOM 624 C GLN A 40 -9.676 3.159 -0.627 1.00 8.01 C ATOM 625 O GLN A 40 -9.779 3.236 0.598 1.00 8.96 O ATOM 626 CB GLN A 40 -11.740 2.304 -1.864 1.00 11.14 C ATOM 627 CG GLN A 40 -12.442 1.781 -0.598 1.00 14.85 C ATOM 628 CD GLN A 40 -13.200 0.469 -0.888 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.848 -0.570 -0.316 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.177 0.483 -1.794 1.00 18.16 N ATOM 0 H GLN A 40 -9.942 3.087 -3.493 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.329 4.434 -1.239 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.499 2.565 -2.601 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.145 1.497 -2.291 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.705 1.613 0.188 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.138 2.533 -0.227 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.441 1.359 -2.246 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.661 -0.382 -2.036 1.00 18.16 H new ATOM 639 N GLN A 41 -8.587 2.663 -1.231 1.00 6.52 N ATOM 640 CA GLN A 41 -7.426 2.057 -0.533 1.00 3.87 C ATOM 641 C GLN A 41 -6.560 3.137 0.158 1.00 4.79 C ATOM 642 O GLN A 41 -6.193 4.161 -0.427 1.00 6.34 O ATOM 643 CB GLN A 41 -6.470 1.329 -1.429 1.00 4.20 C ATOM 644 CG GLN A 41 -6.966 -0.006 -1.993 1.00 3.20 C ATOM 645 CD GLN A 41 -5.871 -0.524 -2.891 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.777 -0.603 -2.379 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.149 -0.808 -4.189 1.00 7.13 N ATOM 0 H GLN A 41 -8.479 2.669 -2.245 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.892 1.361 0.164 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.216 1.982 -2.264 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.549 1.147 -0.875 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.176 -0.712 -1.190 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.893 0.129 -2.550 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.103 -0.714 -4.539 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.404 -1.115 -4.815 1.00 7.13 H new ATOM 656 N ARG A 42 -6.216 3.033 1.437 1.00 5.73 N ATOM 657 CA ARG A 42 -5.368 4.025 2.105 1.00 6.97 C ATOM 658 C ARG A 42 -4.284 3.214 2.871 1.00 7.15 C ATOM 659 O ARG A 42 -4.532 2.330 3.712 1.00 7.33 O ATOM 660 CB ARG A 42 -6.296 4.876 3.023 1.00 13.23 C ATOM 661 CG ARG A 42 -7.258 5.892 2.301 1.00 21.27 C ATOM 662 CD ARG A 42 -8.004 6.666 3.379 1.00 26.14 C ATOM 663 NE ARG A 42 -8.370 8.002 2.811 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.154 8.922 3.450 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.886 8.661 4.542 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.283 10.103 2.909 1.00 36.39 N ATOM 0 H ARG A 42 -6.513 2.266 2.040 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.859 4.720 1.437 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.904 4.195 3.619 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.669 5.435 3.718 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.690 6.572 1.666 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.959 5.363 1.655 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.898 6.125 3.689 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.380 6.785 4.265 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.011 8.242 1.887 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.880 7.725 4.948 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.449 9.398 4.967 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.806 10.318 2.034 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.861 10.811 3.362 1.00 36.39 H new ATOM 680 N LEU A 43 -3.042 3.390 2.496 1.00 4.65 N ATOM 681 CA LEU A 43 -1.952 2.561 3.026 1.00 3.51 C ATOM 682 C LEU A 43 -1.299 3.227 4.213 1.00 5.56 C ATOM 683 O LEU A 43 -1.058 4.414 4.200 1.00 4.19 O ATOM 684 CB LEU A 43 -0.913 2.148 1.917 1.00 3.74 C ATOM 685 CG LEU A 43 -1.409 1.093 0.885 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.609 1.115 -0.415 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.404 -0.391 1.458 1.00 6.41 C ATOM 0 H LEU A 43 -2.745 4.098 1.825 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.392 1.627 3.376 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.612 3.045 1.376 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.022 1.758 2.408 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.438 1.386 0.676 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.000 0.359 -1.096 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.694 2.098 -0.878 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.439 0.904 -0.201 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.760 -1.078 0.691 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.390 -0.665 1.749 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.059 -0.447 2.328 1.00 6.41 H new ATOM 699 N ILE A 44 -1.053 2.438 5.247 1.00 4.58 N ATOM 700 CA ILE A 44 -0.432 2.921 6.475 1.00 5.55 C ATOM 701 C ILE A 44 0.878 2.259 6.643 1.00 5.46 C ATOM 702 O ILE A 44 1.018 1.052 6.386 1.00 6.04 O ATOM 703 CB ILE A 44 -1.364 2.651 7.652 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.802 3.235 7.453 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.721 3.113 8.927 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.961 4.755 7.637 1.00 13.90 C ATOM 0 H ILE A 44 -1.278 1.443 5.261 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.263 3.997 6.426 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.515 1.573 7.714 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.139 2.976 6.449 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.472 2.735 8.152 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.391 2.918 9.764 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.215 2.575 9.078 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.519 4.182 8.866 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.002 5.035 7.473 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.666 5.032 8.649 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.328 5.277 6.919 1.00 13.90 H new ATOM 718 N PHE A 45 1.897 2.985 7.145 1.00 6.75 N ATOM 719 CA PHE A 45 3.235 2.479 7.534 1.00 4.70 C ATOM 720 C PHE A 45 3.770 3.466 8.628 1.00 6.34 C ATOM 721 O PHE A 45 4.192 4.605 8.377 1.00 5.45 O ATOM 722 CB PHE A 45 4.189 2.387 6.259 1.00 5.51 C ATOM 723 CG PHE A 45 5.401 1.577 6.646 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.359 0.201 6.898 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.630 2.209 6.614 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.476 -0.583 7.249 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.748 1.462 7.015 1.00 6.64 C ATOM 728 CZ PHE A 45 7.648 0.102 7.277 1.00 6.84 C ATOM 0 H PHE A 45 1.808 3.989 7.299 1.00 6.75 H new ATOM 0 HA PHE A 45 3.194 1.467 7.937 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.667 1.918 5.425 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.485 3.383 5.931 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.403 -0.295 6.818 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.726 3.236 6.293 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.406 -1.637 7.476 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.704 1.954 7.122 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.551 -0.440 7.516 1.00 6.84 H new ATOM 738 N ALA A 46 3.799 3.057 9.900 1.00 6.53 N ATOM 739 CA ALA A 46 4.217 3.804 11.041 1.00 7.15 C ATOM 740 C ALA A 46 3.246 4.869 11.386 1.00 9.00 C ATOM 741 O ALA A 46 3.648 5.993 11.687 1.00 11.15 O ATOM 742 CB ALA A 46 5.692 4.203 10.995 1.00 8.99 C ATOM 0 H ALA A 46 3.502 2.115 10.155 1.00 6.53 H new ATOM 0 HA ALA A 46 4.193 3.143 11.907 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.944 4.768 11.892 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.310 3.307 10.945 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.875 4.819 10.115 1.00 8.99 H new ATOM 748 N GLY A 47 1.878 4.557 11.240 1.00 9.35 N ATOM 749 CA GLY A 47 0.731 5.505 11.337 1.00 11.68 C ATOM 750 C GLY A 47 0.656 6.567 10.287 1.00 11.14 C ATOM 751 O GLY A 47 -0.384 7.219 10.147 1.00 13.93 O ATOM 0 H GLY A 47 1.570 3.604 11.047 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.193 4.928 11.306 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.771 5.991 12.312 1.00 11.68 H new ATOM 755 N LYS A 48 1.748 6.814 9.519 1.00 10.47 N ATOM 756 CA LYS A 48 1.782 7.690 8.381 1.00 8.82 C ATOM 757 C LYS A 48 0.940 7.176 7.198 1.00 7.68 C ATOM 758 O LYS A 48 0.856 5.967 6.930 1.00 6.47 O ATOM 759 CB LYS A 48 3.259 8.000 8.000 1.00 9.74 C ATOM 760 CG LYS A 48 3.459 9.048 6.809 1.00 14.14 C ATOM 761 CD LYS A 48 4.911 9.323 6.434 1.00 16.32 C ATOM 762 CE LYS A 48 5.675 9.976 7.564 1.00 20.04 C ATOM 763 NZ LYS A 48 7.127 10.097 7.207 1.00 23.92 N ATOM 0 H LYS A 48 2.651 6.378 9.706 1.00 10.47 H new ATOM 0 HA LYS A 48 1.304 8.629 8.659 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.772 8.379 8.884 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.748 7.066 7.724 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.935 8.679 5.928 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.987 9.989 7.090 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.398 8.387 6.161 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.943 9.967 5.555 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.260 10.963 7.770 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.565 9.387 8.475 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.641 10.547 7.991 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.522 9.151 7.032 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.227 10.677 6.350 1.00 23.92 H new ATOM 777 N GLN A 49 0.209 8.035 6.515 1.00 8.89 N ATOM 778 CA GLN A 49 -0.554 7.611 5.294 1.00 7.18 C ATOM 779 C GLN A 49 0.222 7.860 3.991 1.00 8.23 C ATOM 780 O GLN A 49 0.775 8.925 3.739 1.00 9.70 O ATOM 781 CB GLN A 49 -1.940 8.326 5.149 1.00 11.67 C ATOM 782 CG GLN A 49 -2.938 7.726 4.155 1.00 15.82 C ATOM 783 CD GLN A 49 -4.273 8.433 4.362 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.130 8.014 5.147 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.452 9.594 3.712 1.00 20.67 N ATOM 0 H GLN A 49 0.110 9.021 6.756 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.706 6.542 5.445 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.413 8.347 6.131 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.757 9.361 4.861 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.588 7.861 3.132 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.043 6.653 4.318 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.739 9.932 3.066 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.301 10.138 3.864 1.00 20.67 H new ATOM 794 N LEU A 50 0.282 6.784 3.152 1.00 6.51 N ATOM 795 CA LEU A 50 1.221 6.788 2.049 1.00 7.41 C ATOM 796 C LEU A 50 0.625 7.458 0.878 1.00 8.27 C ATOM 797 O LEU A 50 -0.608 7.327 0.622 1.00 8.34 O ATOM 798 CB LEU A 50 1.691 5.346 1.807 1.00 7.13 C ATOM 799 CG LEU A 50 2.349 4.619 3.022 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.830 3.238 2.532 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.432 5.451 3.630 1.00 9.11 C ATOM 0 H LEU A 50 -0.294 5.946 3.233 1.00 6.51 H new ATOM 0 HA LEU A 50 2.114 7.371 2.276 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.834 4.757 1.479 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.406 5.353 0.984 1.00 7.13 H new ATOM 0 HG LEU A 50 1.630 4.471 3.828 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.296 2.701 3.358 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.979 2.666 2.162 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.555 3.369 1.729 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.871 4.918 4.473 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.202 5.647 2.884 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.014 6.396 3.976 1.00 9.11 H new ATOM 813 N GLU A 51 1.410 8.162 0.051 1.00 9.43 N ATOM 814 CA GLU A 51 0.902 9.105 -0.958 1.00 11.90 C ATOM 815 C GLU A 51 1.418 8.713 -2.299 1.00 11.49 C ATOM 816 O GLU A 51 2.541 8.265 -2.563 1.00 9.88 O ATOM 817 CB GLU A 51 1.384 10.545 -0.772 1.00 16.56 C ATOM 818 CG GLU A 51 0.719 11.147 0.449 1.00 26.06 C ATOM 819 CD GLU A 51 1.158 12.621 0.422 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.385 12.944 0.626 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.285 13.535 0.388 1.00 32.13 O ATOM 0 H GLU A 51 2.428 8.093 0.063 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.183 9.065 -0.858 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.468 10.565 -0.656 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.147 11.136 -1.657 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.366 11.053 0.400 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.041 10.651 1.365 1.00 26.06 H new ATOM 828 N ASP A 52 0.504 8.908 -3.309 1.00 12.71 N ATOM 829 CA ASP A 52 0.454 8.206 -4.515 1.00 16.56 C ATOM 830 C ASP A 52 1.715 8.559 -5.297 1.00 15.83 C ATOM 831 O ASP A 52 2.232 7.765 -6.040 1.00 17.21 O ATOM 832 CB ASP A 52 -0.844 8.644 -5.331 1.00 21.05 C ATOM 833 CG ASP A 52 -2.071 7.914 -4.939 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.631 8.170 -3.868 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.555 7.058 -5.750 1.00 28.37 O ATOM 0 H ASP A 52 -0.231 9.612 -3.239 1.00 12.71 H new ATOM 0 HA ASP A 52 0.402 7.131 -4.344 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.007 9.712 -5.190 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.663 8.487 -6.394 1.00 21.05 H new ATOM 840 N GLY A 53 2.189 9.797 -5.174 1.00 15.00 N ATOM 841 CA GLY A 53 3.282 10.421 -5.950 1.00 11.77 C ATOM 842 C GLY A 53 4.648 10.033 -5.434 1.00 11.10 C ATOM 843 O GLY A 53 5.649 10.260 -6.108 1.00 11.25 O ATOM 0 H GLY A 53 1.800 10.442 -4.486 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.195 10.128 -6.996 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.177 11.505 -5.913 1.00 11.77 H new ATOM 847 N ARG A 54 4.702 9.478 -4.182 1.00 8.53 N ATOM 848 CA ARG A 54 5.929 9.093 -3.473 1.00 9.05 C ATOM 849 C ARG A 54 6.351 7.592 -3.727 1.00 8.96 C ATOM 850 O ARG A 54 5.561 6.787 -4.201 1.00 11.60 O ATOM 851 CB ARG A 54 5.852 9.452 -1.986 1.00 7.97 C ATOM 852 CG ARG A 54 5.552 10.871 -1.637 1.00 9.62 C ATOM 853 CD ARG A 54 6.630 11.902 -1.990 1.00 12.20 C ATOM 854 NE ARG A 54 5.994 13.226 -1.701 1.00 18.23 N ATOM 855 CZ ARG A 54 6.598 14.422 -1.700 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.930 14.492 -2.020 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.969 15.493 -1.362 1.00 23.38 N ATOM 0 H ARG A 54 3.860 9.288 -3.639 1.00 8.53 H new ATOM 0 HA ARG A 54 6.738 9.686 -3.901 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.089 8.824 -1.527 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.803 9.186 -1.526 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.628 11.158 -2.138 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.364 10.927 -0.565 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.530 11.755 -1.392 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.926 11.824 -3.036 1.00 12.20 H new ATOM 0 HE ARG A 54 4.998 13.217 -1.482 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.444 13.642 -2.253 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.407 15.394 -2.025 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.988 15.443 -1.087 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.451 16.392 -1.369 1.00 23.38 H new ATOM 871 N THR A 55 7.539 7.165 -3.337 1.00 9.05 N ATOM 872 CA THR A 55 8.030 5.832 -3.515 1.00 9.03 C ATOM 873 C THR A 55 8.182 5.096 -2.131 1.00 8.15 C ATOM 874 O THR A 55 8.347 5.740 -1.100 1.00 5.91 O ATOM 875 CB THR A 55 9.351 5.631 -4.286 1.00 11.15 C ATOM 876 OG1 THR A 55 10.494 6.124 -3.487 1.00 11.95 O ATOM 877 CG2 THR A 55 9.271 6.496 -5.584 1.00 11.71 C ATOM 0 H THR A 55 8.209 7.774 -2.868 1.00 9.05 H new ATOM 0 HA THR A 55 7.255 5.408 -4.154 1.00 9.03 H new ATOM 0 HB THR A 55 9.491 4.572 -4.503 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.436 7.098 -3.399 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.191 6.379 -6.157 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.424 6.169 -6.187 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.142 7.544 -5.315 1.00 11.71 H new ATOM 885 N LEU A 56 8.247 3.740 -2.128 1.00 6.91 N ATOM 886 CA LEU A 56 8.437 2.923 -0.964 1.00 8.29 C ATOM 887 C LEU A 56 9.769 3.244 -0.307 1.00 8.05 C ATOM 888 O LEU A 56 9.969 3.179 0.877 1.00 10.17 O ATOM 889 CB LEU A 56 8.353 1.413 -1.375 1.00 6.60 C ATOM 890 CG LEU A 56 7.084 0.978 -2.113 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.262 -0.463 -2.722 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.965 1.019 -1.035 1.00 8.64 C ATOM 0 H LEU A 56 8.162 3.192 -2.984 1.00 6.91 H new ATOM 0 HA LEU A 56 7.653 3.131 -0.236 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.211 1.182 -2.006 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.448 0.808 -0.474 1.00 6.60 H new ATOM 0 HG LEU A 56 6.846 1.625 -2.957 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.349 -0.753 -3.242 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.095 -0.461 -3.425 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.465 -1.174 -1.921 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.017 0.720 -1.483 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.216 0.335 -0.224 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.876 2.031 -0.641 1.00 8.64 H new ATOM 904 N SER A 57 10.826 3.618 -1.095 1.00 8.92 N ATOM 905 CA SER A 57 12.118 3.995 -0.590 1.00 9.00 C ATOM 906 C SER A 57 12.038 5.229 0.291 1.00 9.44 C ATOM 907 O SER A 57 12.590 5.240 1.400 1.00 10.91 O ATOM 908 CB SER A 57 13.138 4.269 -1.709 1.00 10.32 C ATOM 909 OG SER A 57 14.520 4.415 -1.369 1.00 13.59 O ATOM 0 H SER A 57 10.767 3.655 -2.113 1.00 8.92 H new ATOM 0 HA SER A 57 12.457 3.140 -0.005 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.061 3.455 -2.430 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.827 5.180 -2.221 1.00 10.32 H new ATOM 0 HG SER A 57 15.041 4.582 -2.182 1.00 13.59 H new ATOM 915 N ASP A 58 11.240 6.278 -0.060 1.00 9.11 N ATOM 916 CA ASP A 58 11.142 7.549 0.671 1.00 7.91 C ATOM 917 C ASP A 58 10.559 7.347 2.114 1.00 9.12 C ATOM 918 O ASP A 58 10.837 8.146 2.962 1.00 8.61 O ATOM 919 CB ASP A 58 10.143 8.508 -0.061 1.00 8.41 C ATOM 920 CG ASP A 58 10.576 8.944 -1.398 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.553 9.719 -1.420 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.020 8.469 -2.450 1.00 11.70 O ATOM 0 H ASP A 58 10.637 6.249 -0.882 1.00 9.11 H new ATOM 0 HA ASP A 58 12.151 7.957 0.720 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.180 8.006 -0.152 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.986 9.390 0.560 1.00 8.41 H new ATOM 927 N TYR A 59 9.825 6.260 2.330 1.00 7.97 N ATOM 928 CA TYR A 59 9.198 5.894 3.589 1.00 8.45 C ATOM 929 C TYR A 59 9.953 4.803 4.246 1.00 10.98 C ATOM 930 O TYR A 59 9.626 4.422 5.346 1.00 12.95 O ATOM 931 CB TYR A 59 7.800 5.293 3.320 1.00 7.94 C ATOM 932 CG TYR A 59 6.988 6.331 2.581 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.833 7.667 3.058 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.276 5.937 1.399 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.931 8.545 2.496 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.400 6.845 0.813 1.00 6.52 C ATOM 937 CZ TYR A 59 5.212 8.121 1.413 1.00 6.76 C ATOM 938 OH TYR A 59 4.188 8.974 0.904 1.00 7.63 O ATOM 0 H TYR A 59 9.644 5.579 1.593 1.00 7.97 H new ATOM 0 HA TYR A 59 9.160 6.794 4.203 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.883 4.381 2.729 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.313 5.023 4.257 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.442 8.001 3.885 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.417 4.955 0.973 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.796 9.538 2.899 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.867 6.583 -0.089 1.00 6.52 H new ATOM 0 HH TYR A 59 4.299 9.875 1.273 1.00 7.63 H new ATOM 948 N ASN A 60 11.143 4.464 3.679 1.00 12.38 N ATOM 949 CA ASN A 60 12.080 3.602 4.298 1.00 13.94 C ATOM 950 C ASN A 60 11.622 2.184 4.514 1.00 14.16 C ATOM 951 O ASN A 60 11.842 1.513 5.544 1.00 14.26 O ATOM 952 CB ASN A 60 12.775 4.105 5.674 1.00 19.23 C ATOM 953 CG ASN A 60 13.398 5.449 5.497 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.877 6.458 5.035 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.623 5.584 6.052 1.00 24.09 N ATOM 0 H ASN A 60 11.444 4.808 2.767 1.00 12.38 H new ATOM 0 HA ASN A 60 12.838 3.634 3.515 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.029 4.147 6.468 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.533 3.387 5.987 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.075 6.498 6.074 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.095 4.772 6.449 1.00 24.09 H new ATOM 962 N ILE A 61 10.877 1.598 3.526 1.00 11.08 N ATOM 963 CA ILE A 61 10.347 0.218 3.566 1.00 11.78 C ATOM 964 C ILE A 61 11.372 -0.787 3.054 1.00 13.74 C ATOM 965 O ILE A 61 12.256 -0.444 2.296 1.00 14.60 O ATOM 966 CB ILE A 61 9.048 0.233 2.708 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.966 1.129 3.423 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.389 -1.120 2.441 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.646 1.545 2.669 1.00 11.42 C ATOM 0 H ILE A 61 10.630 2.091 2.668 1.00 11.08 H new ATOM 0 HA ILE A 61 10.128 -0.098 4.586 1.00 11.78 H new ATOM 0 HB ILE A 61 9.378 0.613 1.741 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.666 0.607 4.332 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.463 2.048 3.732 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.495 -0.976 1.834 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.088 -1.767 1.910 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.114 -1.584 3.388 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.030 2.159 3.326 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.902 2.114 1.775 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.092 0.650 2.384 1.00 11.42 H new ATOM 981 N GLN A 62 11.337 -2.064 3.541 1.00 13.97 N ATOM 982 CA GLN A 62 12.381 -3.000 3.295 1.00 15.52 C ATOM 983 C GLN A 62 11.764 -4.299 3.082 1.00 13.94 C ATOM 984 O GLN A 62 10.524 -4.447 3.250 1.00 12.15 O ATOM 985 CB GLN A 62 13.322 -3.140 4.522 1.00 19.53 C ATOM 986 CG GLN A 62 14.043 -1.746 4.907 1.00 26.38 C ATOM 987 CD GLN A 62 15.034 -1.807 6.177 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.909 -2.637 7.063 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.980 -0.856 6.204 1.00 32.71 N ATOM 0 H GLN A 62 10.572 -2.432 4.107 1.00 13.97 H new ATOM 0 HA GLN A 62 12.960 -2.657 2.438 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.749 -3.498 5.377 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.082 -3.892 4.310 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.609 -1.398 4.043 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.273 -1.001 5.104 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.048 -0.182 5.441 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.631 -0.807 6.987 1.00 32.71 H new ATOM 998 N LYS A 63 12.599 -5.312 2.639 1.00 11.73 N ATOM 999 CA LYS A 63 12.073 -6.660 2.437 1.00 11.97 C ATOM 1000 C LYS A 63 11.356 -7.314 3.647 1.00 10.41 C ATOM 1001 O LYS A 63 11.756 -7.279 4.836 1.00 9.59 O ATOM 1002 CB LYS A 63 13.239 -7.570 1.969 1.00 13.73 C ATOM 1003 CG LYS A 63 14.317 -7.793 3.011 1.00 16.98 C ATOM 1004 CD LYS A 63 15.425 -8.760 2.648 1.00 20.19 C ATOM 1005 CE LYS A 63 15.004 -10.065 2.055 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.178 -10.941 1.899 1.00 25.97 N ATOM 0 H LYS A 63 13.591 -5.198 2.432 1.00 11.73 H new ATOM 0 HA LYS A 63 11.286 -6.556 1.690 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.832 -8.537 1.672 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.694 -7.129 1.082 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.770 -6.829 3.244 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.839 -8.150 3.924 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.093 -8.265 1.943 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.006 -8.966 3.547 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.263 -10.544 2.695 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.530 -9.900 1.087 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.882 -11.848 1.486 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.871 -10.485 1.272 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.612 -11.109 2.829 1.00 25.97 H new ATOM 1020 N GLU A 64 10.231 -7.851 3.274 1.00 10.04 N ATOM 1021 CA GLU A 64 9.397 -8.558 4.194 1.00 10.94 C ATOM 1022 C GLU A 64 8.818 -7.690 5.244 1.00 9.74 C ATOM 1023 O GLU A 64 8.462 -8.087 6.397 1.00 9.42 O ATOM 1024 CB GLU A 64 10.058 -9.926 4.524 1.00 18.31 C ATOM 1025 CG GLU A 64 10.039 -10.858 3.332 1.00 24.16 C ATOM 1026 CD GLU A 64 10.902 -12.096 3.638 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.433 -12.931 4.495 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.029 -12.240 3.023 1.00 32.61 O ATOM 0 H GLU A 64 9.868 -7.810 2.322 1.00 10.04 H new ATOM 0 HA GLU A 64 8.444 -8.869 3.765 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.087 -9.765 4.844 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.534 -10.392 5.359 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.016 -11.160 3.109 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.420 -10.345 2.449 1.00 24.16 H new ATOM 1035 N SER A 65 8.703 -6.361 5.034 1.00 6.85 N ATOM 1036 CA SER A 65 7.959 -5.434 5.815 1.00 6.90 C ATOM 1037 C SER A 65 6.488 -5.652 5.818 1.00 4.72 C ATOM 1038 O SER A 65 5.934 -6.279 4.900 1.00 3.91 O ATOM 1039 CB SER A 65 8.170 -4.010 5.405 1.00 7.28 C ATOM 1040 OG SER A 65 9.500 -3.533 5.601 1.00 10.56 O ATOM 0 H SER A 65 9.173 -5.907 4.251 1.00 6.85 H new ATOM 0 HA SER A 65 8.354 -5.620 6.814 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.911 -3.905 4.351 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.483 -3.377 5.967 1.00 7.28 H new ATOM 0 HG SER A 65 10.084 -3.895 4.902 1.00 10.56 H new ATOM 1046 N THR A 66 5.781 -5.114 6.835 1.00 4.48 N ATOM 1047 CA THR A 66 4.350 -5.275 7.069 1.00 3.80 C ATOM 1048 C THR A 66 3.743 -3.932 6.919 1.00 4.60 C ATOM 1049 O THR A 66 3.807 -3.111 7.875 1.00 5.33 O ATOM 1050 CB THR A 66 3.999 -5.776 8.497 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.522 -7.076 8.733 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.465 -5.938 8.517 1.00 3.40 C ATOM 0 H THR A 66 6.224 -4.529 7.543 1.00 4.48 H new ATOM 0 HA THR A 66 3.980 -6.019 6.364 1.00 3.80 H new ATOM 0 HB THR A 66 4.398 -5.080 9.235 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.287 -7.364 9.640 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.149 -6.290 9.499 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.995 -4.977 8.307 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.166 -6.661 7.759 1.00 3.40 H new ATOM 1060 N LEU A 67 3.039 -3.696 5.773 1.00 4.17 N ATOM 1061 CA LEU A 67 2.257 -2.514 5.594 1.00 3.85 C ATOM 1062 C LEU A 67 0.900 -2.852 6.117 1.00 3.80 C ATOM 1063 O LEU A 67 0.475 -4.015 6.265 1.00 5.54 O ATOM 1064 CB LEU A 67 2.219 -2.076 4.105 1.00 7.18 C ATOM 1065 CG LEU A 67 3.442 -1.269 3.605 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.734 -2.082 3.829 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.297 -0.957 2.092 1.00 11.66 C ATOM 0 H LEU A 67 3.021 -4.334 4.978 1.00 4.17 H new ATOM 0 HA LEU A 67 2.682 -1.664 6.127 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.120 -2.968 3.487 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.323 -1.476 3.946 1.00 7.18 H new ATOM 0 HG LEU A 67 3.493 -0.335 4.164 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.591 -1.509 3.475 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.852 -2.292 4.892 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.673 -3.021 3.278 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.163 -0.389 1.753 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.233 -1.890 1.533 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.392 -0.372 1.926 1.00 11.66 H new ATOM 1079 N HIS A 68 0.153 -1.786 6.513 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.275 -1.870 6.862 1.00 4.17 C ATOM 1081 C HIS A 68 -2.133 -1.210 5.803 1.00 5.32 C ATOM 1082 O HIS A 68 -1.800 -0.192 5.233 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.550 -1.254 8.234 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.011 -2.089 9.334 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.123 -3.497 9.365 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.099 -1.777 10.246 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.313 -3.937 10.353 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.331 -2.915 10.880 1.00 16.30 N ATOM 0 H HIS A 68 0.535 -0.844 6.596 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.538 -2.927 6.908 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.105 -0.260 8.281 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.625 -1.129 8.367 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.252 -0.778 10.457 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.209 -4.966 10.663 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.025 -2.962 11.626 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.351 -1.725 5.578 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.259 -1.104 4.599 1.00 3.97 C ATOM 1098 C LEU A 69 -5.612 -0.741 5.367 1.00 5.07 C ATOM 1099 O LEU A 69 -6.255 -1.581 5.983 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.493 -2.126 3.418 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.637 -1.791 2.439 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.307 -0.529 1.617 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.846 -2.992 1.498 1.00 9.96 C ATOM 0 H LEU A 69 -3.725 -2.550 6.047 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.848 -0.191 4.168 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.568 -2.207 2.848 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.689 -3.108 3.849 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.547 -1.593 3.005 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.129 -0.314 0.934 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.164 0.316 2.290 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.394 -0.696 1.045 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.652 -2.771 0.799 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.927 -3.184 0.943 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.106 -3.873 2.085 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.890 0.615 5.515 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.204 1.047 5.910 1.00 6.26 C ATOM 1117 C VAL A 70 -7.988 1.529 4.706 1.00 9.22 C ATOM 1118 O VAL A 70 -7.438 1.654 3.611 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.137 2.079 7.035 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.225 1.634 8.221 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.718 3.458 6.487 1.00 8.54 C ATOM 0 H VAL A 70 -5.216 1.365 5.362 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.745 0.194 6.320 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.143 2.161 7.446 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.220 2.410 8.987 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.608 0.707 8.647 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.209 1.474 7.859 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.677 4.177 7.305 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.735 3.381 6.021 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.445 3.792 5.747 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.357 1.607 4.857 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.097 2.051 3.775 1.00 16.06 C ATOM 1133 C LEU A 71 -10.884 3.344 4.025 1.00 18.09 C ATOM 1134 O LEU A 71 -10.789 3.928 5.081 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.117 0.951 3.421 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.446 -0.408 3.060 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.489 -1.438 2.767 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.475 -0.257 1.840 1.00 19.57 C ATOM 0 H LEU A 71 -9.883 1.367 5.697 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.384 2.264 2.979 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.792 0.804 4.264 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.725 1.284 2.580 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.858 -0.731 3.919 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.007 -2.383 2.516 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.122 -1.575 3.644 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.100 -1.108 1.927 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.023 -1.223 1.613 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.033 0.095 0.972 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.693 0.462 2.084 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.487 3.870 2.908 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.219 5.024 2.886 1.00 25.83 C ATOM 1152 C ARG A 72 -13.735 4.848 2.761 1.00 27.74 C ATOM 1153 O ARG A 72 -14.287 4.015 2.026 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.800 5.807 1.633 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.156 7.322 1.600 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.303 8.006 0.524 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.781 9.402 0.386 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.171 10.414 -0.263 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.930 10.327 -0.673 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.856 11.509 -0.624 1.00 35.02 N ATOM 0 H ARG A 72 -11.427 3.421 1.994 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.022 5.511 3.841 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.721 5.709 1.516 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.259 5.331 0.766 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.216 7.456 1.383 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.970 7.775 2.574 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.250 7.989 0.804 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.389 7.477 -0.425 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.672 9.622 0.832 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.396 9.475 -0.504 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.498 11.111 -1.161 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.850 11.583 -0.408 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.383 12.268 -1.115 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.478 5.576 3.598 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.948 5.591 3.651 1.00 30.76 C ATOM 1176 C LEU A 73 -16.585 6.045 2.348 1.00 32.18 C ATOM 1177 O LEU A 73 -16.259 7.078 1.743 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.483 6.339 4.985 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.823 5.742 6.258 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.732 6.863 7.318 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.604 4.603 6.914 1.00 29.11 C ATOM 0 H LEU A 73 -14.057 6.199 4.288 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.291 4.561 3.747 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.263 7.405 4.922 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.566 6.241 5.052 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.862 5.342 5.934 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.271 6.470 8.224 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.128 7.683 6.930 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.733 7.228 7.549 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.065 4.252 7.794 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.589 4.962 7.211 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.715 3.783 6.205 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.573 5.279 1.848 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.280 5.466 0.610 1.00 35.33 C ATOM 1195 C ARG A 74 -18.958 6.899 0.359 1.00 36.22 C ATOM 1196 O ARG A 74 -19.601 7.409 1.239 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.367 4.301 0.411 1.00 36.91 C ATOM 1198 CG ARG A 74 -20.178 4.256 -0.920 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.346 3.896 -2.152 1.00 39.75 C ATOM 1200 NE ARG A 74 -19.042 2.442 -2.044 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.246 1.770 -2.941 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.928 2.324 -4.122 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.661 0.600 -2.634 1.00 41.93 N ATOM 0 H ARG A 74 -17.907 4.458 2.352 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.493 5.418 -0.142 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.852 3.346 0.517 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.081 4.371 1.231 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -20.985 3.530 -0.816 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.643 5.228 -1.082 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.896 4.111 -3.068 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.428 4.483 -2.186 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.444 1.919 -1.266 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.278 3.252 -4.361 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.337 1.817 -4.780 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.802 0.186 -1.713 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.076 0.126 -3.322 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.709 7.513 -0.824 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.220 8.844 -1.206 1.00 36.07 C ATOM 1219 C GLY A 75 -18.440 10.009 -0.582 1.00 36.16 C ATOM 1220 O GLY A 75 -18.870 11.189 -0.616 1.00 36.26 O ATOM 0 H GLY A 75 -18.135 7.085 -1.551 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.188 8.937 -2.292 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.266 8.920 -0.910 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.252 9.757 0.060 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.513 10.814 0.682 1.00 36.19 C ATOM 1226 C GLY A 76 -15.075 10.654 0.221 1.00 36.20 C ATOM 1227 O GLY A 76 -14.751 11.146 -0.842 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.262 10.188 1.021 1.00 0.00 O ATOM 0 H GLY A 76 -16.825 8.834 0.138 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.908 11.788 0.393 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.583 10.751 1.768 1.00 36.19 H new TER 1232 GLY A 76