USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -60:sc= 1.26 USER MOD Set 1.2: A 57 SER OG : rot -76:sc= 0.0506 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -168:sc= 0.605 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.55 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0855 (180deg=-0.299) USER MOD Single : A 1 MET N :NH3+ 158:sc= 2.46 (180deg=2.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 1.2 (180deg=0.215) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -45:sc= 0.0139 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0727 K(o=-0.073,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 1.16 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.22) USER MOD Single : A 31 GLN : amide:sc= -0.0445 X(o=-0.044,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 0.0379 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.838 K(o=0.84,f=-3.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.534 USER MOD Single : A 60 ASN : amide:sc= -0.0386 K(o=-0.039,f=-1.1) 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 78:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.138 -7.756 -5.161 1.00 9.67 N ATOM 2 CA MET A 1 11.206 -8.281 -3.767 1.00 10.38 C ATOM 3 C MET A 1 9.833 -8.352 -3.092 1.00 9.62 C ATOM 4 O MET A 1 8.780 -7.749 -3.452 1.00 9.62 O ATOM 5 CB MET A 1 12.174 -7.448 -2.861 1.00 13.77 C ATOM 6 CG MET A 1 11.936 -5.930 -2.789 1.00 16.29 C ATOM 7 SD MET A 1 10.748 -5.503 -1.514 1.00 17.17 S ATOM 8 CE MET A 1 10.694 -3.717 -1.760 1.00 16.11 C ATOM 0 H1 MET A 1 12.068 -7.381 -5.436 1.00 9.67 H new ATOM 0 H2 MET A 1 10.869 -8.524 -5.809 1.00 9.67 H new ATOM 0 H3 MET A 1 10.429 -6.996 -5.212 1.00 9.67 H new ATOM 0 HA MET A 1 11.597 -9.293 -3.869 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.117 -7.847 -1.848 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.192 -7.614 -3.212 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.880 -5.423 -2.591 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.578 -5.572 -3.754 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.855 -3.298 -1.205 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.623 -3.272 -1.403 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.572 -3.499 -2.821 1.00 16.11 H new ATOM 20 N GLN A 2 9.699 -9.179 -2.049 1.00 9.27 N ATOM 21 CA GLN A 2 8.409 -9.449 -1.416 1.00 9.07 C ATOM 22 C GLN A 2 8.057 -8.478 -0.266 1.00 8.72 C ATOM 23 O GLN A 2 8.829 -8.192 0.646 1.00 8.22 O ATOM 24 CB GLN A 2 8.504 -10.883 -0.912 1.00 14.46 C ATOM 25 CG GLN A 2 7.171 -11.486 -0.416 1.00 17.01 C ATOM 26 CD GLN A 2 7.329 -12.999 -0.242 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.552 -13.513 0.816 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.148 -13.786 -1.338 1.00 19.49 N ATOM 0 H GLN A 2 10.481 -9.677 -1.623 1.00 9.27 H new ATOM 0 HA GLN A 2 7.604 -9.304 -2.137 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.894 -11.510 -1.714 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.228 -10.920 -0.098 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.882 -11.028 0.530 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.375 -11.272 -1.129 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.957 -13.361 -2.245 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.203 -14.801 -1.252 1.00 19.49 H new ATOM 37 N ILE A 3 6.848 -7.929 -0.286 1.00 5.87 N ATOM 38 CA ILE A 3 6.346 -7.171 0.859 1.00 5.07 C ATOM 39 C ILE A 3 4.849 -7.568 1.188 1.00 4.01 C ATOM 40 O ILE A 3 4.062 -7.939 0.320 1.00 4.61 O ATOM 41 CB ILE A 3 6.384 -5.649 0.915 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.400 -4.912 -0.040 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.869 -5.217 0.655 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.445 -3.392 0.135 1.00 10.83 C ATOM 0 H ILE A 3 6.201 -7.992 -1.072 1.00 5.87 H new ATOM 0 HA ILE A 3 7.111 -7.476 1.573 1.00 5.07 H new ATOM 0 HB ILE A 3 6.033 -5.347 1.902 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.643 -5.163 -1.072 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.386 -5.266 0.144 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.942 -4.130 0.686 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.513 -5.646 1.423 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.185 -5.574 -0.325 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.741 -2.925 -0.554 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.175 -3.136 1.159 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.452 -3.031 -0.076 1.00 10.83 H new ATOM 56 N PHE A 4 4.423 -7.392 2.453 1.00 4.55 N ATOM 57 CA PHE A 4 3.160 -8.000 2.873 1.00 4.68 C ATOM 58 C PHE A 4 2.226 -6.945 3.353 1.00 5.30 C ATOM 59 O PHE A 4 2.432 -6.263 4.349 1.00 5.58 O ATOM 60 CB PHE A 4 3.483 -8.821 4.154 1.00 4.83 C ATOM 61 CG PHE A 4 4.458 -9.859 3.896 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.193 -10.906 3.012 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.686 -9.820 4.532 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.047 -12.021 2.930 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.610 -10.851 4.373 1.00 10.61 C ATOM 66 CZ PHE A 4 6.217 -12.053 3.675 1.00 8.90 C ATOM 0 H PHE A 4 4.914 -6.857 3.170 1.00 4.55 H new ATOM 0 HA PHE A 4 2.735 -8.572 2.049 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.860 -8.153 4.928 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.567 -9.270 4.538 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.318 -10.859 2.381 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.932 -8.978 5.161 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.792 -12.851 2.288 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.610 -10.752 4.768 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.816 -12.950 3.731 1.00 8.90 H new ATOM 76 N VAL A 5 1.115 -6.781 2.562 1.00 4.44 N ATOM 77 CA VAL A 5 0.061 -5.826 2.959 1.00 3.87 C ATOM 78 C VAL A 5 -0.895 -6.509 3.933 1.00 4.93 C ATOM 79 O VAL A 5 -1.439 -7.578 3.639 1.00 6.84 O ATOM 80 CB VAL A 5 -0.672 -5.186 1.783 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.725 -4.134 2.215 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.447 -4.483 0.946 1.00 9.13 C ATOM 0 H VAL A 5 0.943 -7.279 1.689 1.00 4.44 H new ATOM 0 HA VAL A 5 0.549 -4.988 3.457 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.225 -5.946 1.232 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.208 -3.719 1.331 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.474 -4.608 2.849 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.234 -3.334 2.769 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.001 -3.997 0.078 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.948 -3.737 1.563 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.173 -5.225 0.613 1.00 9.13 H new ATOM 92 N LYS A 6 -1.185 -5.911 5.085 1.00 6.04 N ATOM 93 CA LYS A 6 -1.994 -6.458 6.146 1.00 6.12 C ATOM 94 C LYS A 6 -3.181 -5.528 6.426 1.00 6.57 C ATOM 95 O LYS A 6 -3.049 -4.365 6.812 1.00 5.76 O ATOM 96 CB LYS A 6 -1.008 -6.553 7.352 1.00 7.45 C ATOM 97 CG LYS A 6 -1.427 -7.128 8.768 1.00 11.12 C ATOM 98 CD LYS A 6 -1.763 -8.664 8.630 1.00 14.54 C ATOM 99 CE LYS A 6 -0.467 -9.462 8.779 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.718 -10.888 8.868 1.00 20.55 N ATOM 0 H LYS A 6 -0.837 -4.978 5.306 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.434 -7.428 5.916 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.162 -7.152 7.013 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.635 -5.544 7.526 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.619 -6.984 9.485 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.293 -6.588 9.151 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.482 -8.964 9.392 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.222 -8.865 7.662 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.184 -9.260 7.928 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.063 -9.130 9.672 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.150 -11.375 9.169 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.473 -11.065 9.561 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.012 -11.248 7.937 1.00 20.55 H new ATOM 114 N THR A 7 -4.399 -6.033 6.237 1.00 7.41 N ATOM 115 CA THR A 7 -5.648 -5.401 6.390 1.00 7.48 C ATOM 116 C THR A 7 -6.209 -5.302 7.803 1.00 8.75 C ATOM 117 O THR A 7 -5.606 -5.905 8.697 1.00 8.58 O ATOM 118 CB THR A 7 -6.805 -5.885 5.612 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.207 -7.222 5.900 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.355 -5.788 4.125 1.00 9.17 C ATOM 0 H THR A 7 -4.513 -7.002 5.941 1.00 7.41 H new ATOM 0 HA THR A 7 -5.293 -4.447 5.999 1.00 7.48 H new ATOM 0 HB THR A 7 -7.677 -5.281 5.861 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.978 -7.459 5.343 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.162 -6.131 3.478 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.112 -4.753 3.885 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.475 -6.412 3.970 1.00 9.17 H new ATOM 128 N LEU A 8 -7.277 -4.534 8.008 1.00 9.84 N ATOM 129 CA LEU A 8 -7.923 -4.487 9.302 1.00 14.15 C ATOM 130 C LEU A 8 -8.265 -5.860 9.914 1.00 17.37 C ATOM 131 O LEU A 8 -7.893 -6.128 11.038 1.00 17.01 O ATOM 132 CB LEU A 8 -9.102 -3.530 9.271 1.00 16.63 C ATOM 133 CG LEU A 8 -8.919 -2.295 10.118 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.661 -2.647 11.549 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.891 -1.280 9.627 1.00 18.59 C ATOM 0 H LEU A 8 -7.705 -3.943 7.296 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.182 -4.093 9.998 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.282 -3.226 8.240 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.994 -4.059 9.608 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.876 -1.782 10.021 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.534 -1.734 12.131 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.505 -3.213 11.942 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.756 -3.250 11.618 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.851 -0.439 10.319 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.910 -1.752 9.573 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.176 -0.923 8.637 1.00 18.59 H new ATOM 147 N THR A 9 -8.905 -6.780 9.148 1.00 18.33 N ATOM 148 CA THR A 9 -9.261 -8.152 9.679 1.00 19.24 C ATOM 149 C THR A 9 -8.037 -9.021 9.894 1.00 19.48 C ATOM 150 O THR A 9 -8.139 -10.069 10.630 1.00 23.14 O ATOM 151 CB THR A 9 -10.084 -8.922 8.709 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.577 -9.013 7.424 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.505 -8.351 8.630 1.00 19.70 C ATOM 0 H THR A 9 -9.186 -6.618 8.181 1.00 18.33 H new ATOM 0 HA THR A 9 -9.790 -7.952 10.611 1.00 19.24 H new ATOM 0 HB THR A 9 -10.075 -9.935 9.111 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.189 -9.538 6.867 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.090 -8.929 7.915 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.975 -8.407 9.612 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.462 -7.311 8.307 1.00 19.70 H new ATOM 161 N GLY A 10 -6.904 -8.620 9.324 1.00 19.43 N ATOM 162 CA GLY A 10 -5.667 -9.293 9.490 1.00 18.74 C ATOM 163 C GLY A 10 -5.270 -10.046 8.243 1.00 17.62 C ATOM 164 O GLY A 10 -4.254 -10.743 8.271 1.00 19.74 O ATOM 0 H GLY A 10 -6.844 -7.797 8.725 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.891 -8.571 9.742 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.740 -9.987 10.327 1.00 18.74 H new ATOM 168 N LYS A 11 -6.069 -9.919 7.203 1.00 13.56 N ATOM 169 CA LYS A 11 -5.868 -10.570 5.956 1.00 11.91 C ATOM 170 C LYS A 11 -4.546 -10.158 5.273 1.00 10.18 C ATOM 171 O LYS A 11 -4.289 -8.975 5.151 1.00 9.10 O ATOM 172 CB LYS A 11 -7.036 -10.419 4.948 1.00 13.43 C ATOM 173 CG LYS A 11 -7.008 -11.413 3.759 1.00 16.69 C ATOM 174 CD LYS A 11 -8.108 -11.127 2.725 1.00 17.92 C ATOM 175 CE LYS A 11 -8.209 -12.161 1.587 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.266 -11.734 0.642 1.00 21.93 N ATOM 0 H LYS A 11 -6.904 -9.333 7.220 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.818 -11.623 6.231 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.977 -10.543 5.484 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.026 -9.403 4.553 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.034 -11.364 3.272 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.124 -12.429 4.136 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.068 -11.079 3.240 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.931 -10.144 2.289 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.253 -12.247 1.070 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.441 -13.146 1.992 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.125 -12.207 -0.274 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.198 -11.992 1.024 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.219 -10.703 0.511 1.00 21.93 H new ATOM 190 N THR A 12 -3.768 -11.155 4.836 1.00 9.63 N ATOM 191 CA THR A 12 -2.478 -10.791 4.339 1.00 9.85 C ATOM 192 C THR A 12 -2.441 -10.909 2.822 1.00 11.66 C ATOM 193 O THR A 12 -2.754 -11.930 2.213 1.00 12.33 O ATOM 194 CB THR A 12 -1.426 -11.812 4.833 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.558 -12.012 6.206 1.00 10.91 O ATOM 196 CG2 THR A 12 0.071 -11.317 4.621 1.00 9.63 C ATOM 0 H THR A 12 -4.003 -12.147 4.822 1.00 9.63 H new ATOM 0 HA THR A 12 -2.275 -9.775 4.677 1.00 9.85 H new ATOM 0 HB THR A 12 -1.608 -12.716 4.251 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.889 -12.661 6.508 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.761 -12.077 4.988 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.251 -11.145 3.560 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.229 -10.389 5.170 1.00 9.63 H new ATOM 204 N ILE A 13 -1.972 -9.877 2.172 1.00 10.42 N ATOM 205 CA ILE A 13 -1.856 -9.676 0.737 1.00 11.84 C ATOM 206 C ILE A 13 -0.405 -9.727 0.492 1.00 10.55 C ATOM 207 O ILE A 13 0.293 -8.774 0.834 1.00 11.92 O ATOM 208 CB ILE A 13 -2.478 -8.328 0.258 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.798 -7.990 1.016 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.499 -8.437 -1.308 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.290 -6.668 0.523 1.00 16.46 C ATOM 0 H ILE A 13 -1.623 -9.066 2.682 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.409 -10.430 0.177 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.904 -7.437 0.512 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.546 -8.764 0.842 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.621 -7.954 2.091 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.924 -7.526 -1.730 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.482 -8.568 -1.677 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.106 -9.292 -1.605 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.214 -6.408 1.039 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.538 -5.904 0.719 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.477 -6.726 -0.549 1.00 16.46 H new ATOM 223 N THR A 14 0.161 -10.739 -0.111 1.00 9.39 N ATOM 224 CA THR A 14 1.573 -10.758 -0.529 1.00 9.63 C ATOM 225 C THR A 14 1.761 -10.112 -1.855 1.00 11.20 C ATOM 226 O THR A 14 1.026 -10.387 -2.813 1.00 11.63 O ATOM 227 CB THR A 14 2.107 -12.177 -0.693 1.00 10.38 C ATOM 228 OG1 THR A 14 1.698 -12.965 0.399 1.00 16.30 O ATOM 229 CG2 THR A 14 3.618 -12.247 -0.751 1.00 11.66 C ATOM 0 H THR A 14 -0.340 -11.598 -0.338 1.00 9.39 H new ATOM 0 HA THR A 14 2.105 -10.225 0.260 1.00 9.63 H new ATOM 0 HB THR A 14 1.707 -12.540 -1.640 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.041 -13.877 0.291 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.930 -13.285 -0.868 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.977 -11.662 -1.598 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.037 -11.844 0.171 1.00 11.66 H new ATOM 237 N LEU A 15 2.731 -9.195 -1.984 1.00 8.29 N ATOM 238 CA LEU A 15 2.919 -8.483 -3.230 1.00 9.03 C ATOM 239 C LEU A 15 4.338 -8.660 -3.710 1.00 8.59 C ATOM 240 O LEU A 15 5.228 -9.066 -2.975 1.00 7.79 O ATOM 241 CB LEU A 15 2.709 -6.980 -2.967 1.00 11.08 C ATOM 242 CG LEU A 15 1.232 -6.491 -2.609 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.226 -4.988 -2.452 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.170 -6.980 -3.571 1.00 15.27 C ATOM 0 H LEU A 15 3.384 -8.940 -1.243 1.00 8.29 H new ATOM 0 HA LEU A 15 2.217 -8.864 -3.972 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.367 -6.687 -2.149 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.038 -6.435 -3.852 1.00 11.08 H new ATOM 0 HG LEU A 15 0.956 -6.950 -1.660 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.218 -4.652 -2.208 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.908 -4.703 -1.651 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.547 -4.524 -3.384 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.805 -6.605 -3.259 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.394 -6.618 -4.574 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.155 -8.070 -3.573 1.00 15.27 H new ATOM 256 N GLU A 16 4.514 -8.329 -4.980 1.00 11.04 N ATOM 257 CA GLU A 16 5.838 -8.379 -5.511 1.00 11.50 C ATOM 258 C GLU A 16 6.026 -6.929 -5.993 1.00 10.13 C ATOM 259 O GLU A 16 5.190 -6.268 -6.632 1.00 9.83 O ATOM 260 CB GLU A 16 5.912 -9.299 -6.718 1.00 17.22 C ATOM 261 CG GLU A 16 7.344 -9.344 -7.357 1.00 23.33 C ATOM 262 CD GLU A 16 8.377 -9.936 -6.440 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.095 -10.774 -5.567 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.530 -9.454 -6.514 1.00 28.86 O ATOM 0 H GLU A 16 3.782 -8.037 -5.627 1.00 11.04 H new ATOM 0 HA GLU A 16 6.575 -8.741 -4.794 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.619 -10.306 -6.421 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.194 -8.967 -7.468 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.307 -9.926 -8.278 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.646 -8.333 -7.631 1.00 23.33 H new ATOM 271 N VAL A 17 7.147 -6.292 -5.592 1.00 8.99 N ATOM 272 CA VAL A 17 7.390 -4.870 -5.711 1.00 8.85 C ATOM 273 C VAL A 17 8.887 -4.617 -5.940 1.00 8.04 C ATOM 274 O VAL A 17 9.788 -5.421 -5.565 1.00 8.99 O ATOM 275 CB VAL A 17 6.892 -4.065 -4.559 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.366 -3.998 -4.519 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.473 -4.648 -3.261 1.00 10.54 C ATOM 0 H VAL A 17 7.927 -6.789 -5.162 1.00 8.99 H new ATOM 0 HA VAL A 17 6.813 -4.531 -6.572 1.00 8.85 H new ATOM 0 HB VAL A 17 7.229 -3.035 -4.674 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.050 -3.401 -3.663 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.998 -3.539 -5.437 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.960 -5.005 -4.429 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.116 -4.068 -2.410 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.154 -5.685 -3.153 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.562 -4.606 -3.298 1.00 10.54 H new ATOM 287 N GLU A 18 9.167 -3.494 -6.622 1.00 7.29 N ATOM 288 CA GLU A 18 10.484 -2.996 -6.800 1.00 7.08 C ATOM 289 C GLU A 18 10.616 -1.742 -5.814 1.00 6.45 C ATOM 290 O GLU A 18 9.610 -1.033 -5.589 1.00 5.28 O ATOM 291 CB GLU A 18 10.525 -2.557 -8.260 1.00 10.28 C ATOM 292 CG GLU A 18 11.854 -1.932 -8.772 1.00 12.65 C ATOM 293 CD GLU A 18 13.024 -2.882 -8.831 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.846 -3.984 -9.364 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.084 -2.534 -8.226 1.00 18.17 O ATOM 0 H GLU A 18 8.450 -2.917 -7.062 1.00 7.29 H new ATOM 0 HA GLU A 18 11.287 -3.702 -6.588 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.297 -3.423 -8.881 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.727 -1.832 -8.418 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.686 -1.524 -9.769 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.117 -1.095 -8.125 1.00 12.65 H new ATOM 302 N PRO A 19 11.736 -1.461 -5.195 1.00 7.24 N ATOM 303 CA PRO A 19 11.836 -0.357 -4.308 1.00 7.07 C ATOM 304 C PRO A 19 11.408 1.031 -4.812 1.00 6.65 C ATOM 305 O PRO A 19 11.169 1.860 -3.925 1.00 6.37 O ATOM 306 CB PRO A 19 13.369 -0.337 -4.030 1.00 7.61 C ATOM 307 CG PRO A 19 13.628 -1.811 -3.774 1.00 8.16 C ATOM 308 CD PRO A 19 12.842 -2.392 -4.926 1.00 7.49 C ATOM 0 HA PRO A 19 11.151 -0.506 -3.473 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.938 0.042 -4.879 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.626 0.283 -3.171 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.687 -2.066 -3.816 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.259 -2.141 -2.803 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.474 -2.507 -5.807 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.462 -3.382 -4.675 1.00 7.49 H new ATOM 316 N SER A 20 11.410 1.262 -6.169 1.00 6.80 N ATOM 317 CA SER A 20 11.053 2.464 -6.779 1.00 6.28 C ATOM 318 C SER A 20 9.649 2.442 -7.271 1.00 8.45 C ATOM 319 O SER A 20 9.242 3.343 -7.968 1.00 7.26 O ATOM 320 CB SER A 20 12.051 2.834 -7.962 1.00 8.57 C ATOM 321 OG SER A 20 12.100 4.239 -8.256 1.00 11.13 O ATOM 0 H SER A 20 11.682 0.545 -6.841 1.00 6.80 H new ATOM 0 HA SER A 20 11.126 3.238 -6.015 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.052 2.491 -7.702 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.752 2.294 -8.860 1.00 8.57 H new ATOM 0 HG SER A 20 11.189 4.599 -8.284 1.00 11.13 H new ATOM 327 N ASP A 21 8.861 1.406 -6.936 1.00 7.50 N ATOM 328 CA ASP A 21 7.395 1.521 -7.016 1.00 7.70 C ATOM 329 C ASP A 21 6.776 2.527 -6.114 1.00 7.08 C ATOM 330 O ASP A 21 6.979 2.605 -4.938 1.00 8.11 O ATOM 331 CB ASP A 21 6.668 0.165 -6.833 1.00 11.00 C ATOM 332 CG ASP A 21 7.055 -0.823 -7.881 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.568 -0.337 -8.906 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.733 -2.001 -7.765 1.00 18.03 O ATOM 0 H ASP A 21 9.204 0.501 -6.615 1.00 7.50 H new ATOM 0 HA ASP A 21 7.252 1.882 -8.034 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.901 -0.241 -5.849 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.590 0.324 -6.865 1.00 11.00 H new ATOM 339 N THR A 22 6.077 3.444 -6.759 1.00 5.37 N ATOM 340 CA THR A 22 5.205 4.477 -6.161 1.00 6.01 C ATOM 341 C THR A 22 4.028 3.848 -5.433 1.00 8.01 C ATOM 342 O THR A 22 3.651 2.726 -5.743 1.00 8.11 O ATOM 343 CB THR A 22 4.532 5.526 -7.121 1.00 8.92 C ATOM 344 OG1 THR A 22 3.807 4.923 -8.213 1.00 10.22 O ATOM 345 CG2 THR A 22 5.605 6.467 -7.703 1.00 9.65 C ATOM 0 H THR A 22 6.094 3.503 -7.777 1.00 5.37 H new ATOM 0 HA THR A 22 5.924 5.001 -5.531 1.00 6.01 H new ATOM 0 HB THR A 22 3.812 6.075 -6.514 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.412 5.625 -8.771 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.133 7.191 -8.367 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.107 6.993 -6.891 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.335 5.883 -8.263 1.00 9.65 H new ATOM 353 N ILE A 23 3.413 4.604 -4.449 1.00 8.32 N ATOM 354 CA ILE A 23 2.301 4.114 -3.621 1.00 9.92 C ATOM 355 C ILE A 23 1.011 4.008 -4.475 1.00 10.01 C ATOM 356 O ILE A 23 0.194 3.195 -4.260 1.00 8.71 O ATOM 357 CB ILE A 23 2.086 5.117 -2.453 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.300 5.168 -1.454 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.780 4.761 -1.669 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.549 3.758 -0.743 1.00 12.30 C ATOM 0 H ILE A 23 3.692 5.560 -4.230 1.00 8.32 H new ATOM 0 HA ILE A 23 2.534 3.125 -3.227 1.00 9.92 H new ATOM 0 HB ILE A 23 1.998 6.105 -2.905 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.200 5.467 -1.992 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.114 5.929 -0.696 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.640 5.471 -0.853 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.075 4.811 -2.344 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.863 3.753 -1.263 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.396 3.839 -0.062 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.659 3.471 -0.183 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.762 3.002 -1.499 1.00 12.30 H new ATOM 372 N GLU A 24 0.968 4.795 -5.633 1.00 9.54 N ATOM 373 CA GLU A 24 -0.018 4.595 -6.689 1.00 11.81 C ATOM 374 C GLU A 24 0.099 3.242 -7.324 1.00 11.14 C ATOM 375 O GLU A 24 -0.877 2.563 -7.383 1.00 10.62 O ATOM 376 CB GLU A 24 0.059 5.709 -7.718 1.00 19.24 C ATOM 377 CG GLU A 24 -0.928 5.618 -8.832 1.00 27.76 C ATOM 378 CD GLU A 24 -0.940 6.966 -9.576 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.108 7.367 -10.105 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.973 7.599 -9.478 1.00 34.80 O ATOM 0 H GLU A 24 1.620 5.558 -5.817 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.004 4.634 -6.227 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.081 6.662 -7.208 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.062 5.719 -8.144 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.659 4.810 -9.513 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.920 5.390 -8.443 1.00 27.76 H new ATOM 387 N ASN A 25 1.295 2.742 -7.668 1.00 9.43 N ATOM 388 CA ASN A 25 1.572 1.402 -8.229 1.00 10.96 C ATOM 389 C ASN A 25 1.228 0.292 -7.288 1.00 9.68 C ATOM 390 O ASN A 25 0.762 -0.753 -7.689 1.00 9.33 O ATOM 391 CB ASN A 25 3.127 1.478 -8.559 1.00 16.78 C ATOM 392 CG ASN A 25 3.494 0.384 -9.529 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.227 -0.805 -9.447 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.132 0.809 -10.597 1.00 24.70 N ATOM 0 H ASN A 25 2.148 3.291 -7.557 1.00 9.43 H new ATOM 0 HA ASN A 25 0.962 1.171 -9.102 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.371 2.451 -8.984 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.709 1.375 -7.643 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.392 0.151 -11.332 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.367 1.797 -10.691 1.00 24.70 H new ATOM 401 N VAL A 26 1.478 0.499 -5.992 1.00 6.52 N ATOM 402 CA VAL A 26 1.143 -0.441 -4.910 1.00 5.53 C ATOM 403 C VAL A 26 -0.365 -0.661 -4.882 1.00 4.42 C ATOM 404 O VAL A 26 -0.834 -1.753 -4.878 1.00 3.40 O ATOM 405 CB VAL A 26 1.652 0.049 -3.585 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.020 -0.646 -2.320 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.163 0.031 -3.595 1.00 8.12 C ATOM 0 H VAL A 26 1.932 1.348 -5.654 1.00 6.52 H new ATOM 0 HA VAL A 26 1.634 -1.395 -5.103 1.00 5.53 H new ATOM 0 HB VAL A 26 1.309 1.077 -3.471 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.455 -0.220 -1.416 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.058 -0.483 -2.316 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.225 -1.716 -2.352 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.537 0.386 -2.635 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.514 -0.987 -3.767 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.529 0.681 -4.390 1.00 8.12 H new ATOM 417 N LYS A 27 -1.160 0.420 -5.024 1.00 2.64 N ATOM 418 CA LYS A 27 -2.612 0.336 -4.965 1.00 4.14 C ATOM 419 C LYS A 27 -3.197 -0.457 -6.099 1.00 5.58 C ATOM 420 O LYS A 27 -4.179 -1.156 -5.967 1.00 4.11 O ATOM 421 CB LYS A 27 -3.318 1.704 -4.846 1.00 3.97 C ATOM 422 CG LYS A 27 -3.177 2.290 -3.450 1.00 7.45 C ATOM 423 CD LYS A 27 -4.001 3.621 -3.231 1.00 9.02 C ATOM 424 CE LYS A 27 -3.406 4.797 -4.065 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.091 6.100 -3.822 1.00 15.47 N ATOM 0 H LYS A 27 -0.805 1.363 -5.181 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.807 -0.201 -4.037 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.896 2.396 -5.575 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.375 1.590 -5.088 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.502 1.548 -2.720 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.123 2.490 -3.254 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -5.041 3.459 -3.516 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.998 3.884 -2.173 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.347 4.902 -3.828 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.473 4.552 -5.125 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.477 6.879 -4.134 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.983 6.128 -4.355 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.291 6.203 -2.807 1.00 15.47 H new ATOM 439 N ALA A 28 -2.546 -0.348 -7.261 1.00 6.61 N ATOM 440 CA ALA A 28 -2.833 -1.023 -8.476 1.00 7.74 C ATOM 441 C ALA A 28 -2.486 -2.532 -8.362 1.00 9.17 C ATOM 442 O ALA A 28 -3.284 -3.391 -8.765 1.00 11.45 O ATOM 443 CB ALA A 28 -2.048 -0.368 -9.625 1.00 7.68 C ATOM 0 H ALA A 28 -1.742 0.273 -7.356 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.900 -0.943 -8.684 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.268 -0.886 -10.558 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.339 0.679 -9.714 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.980 -0.431 -9.418 1.00 7.68 H new ATOM 449 N LYS A 29 -1.334 -2.883 -7.817 1.00 8.96 N ATOM 450 CA LYS A 29 -0.953 -4.270 -7.387 1.00 7.90 C ATOM 451 C LYS A 29 -1.922 -4.882 -6.418 1.00 6.92 C ATOM 452 O LYS A 29 -2.234 -6.083 -6.504 1.00 6.87 O ATOM 453 CB LYS A 29 0.547 -4.415 -6.829 1.00 10.28 C ATOM 454 CG LYS A 29 1.623 -4.136 -7.857 1.00 14.94 C ATOM 455 CD LYS A 29 2.993 -3.972 -7.247 1.00 19.69 C ATOM 456 CE LYS A 29 3.931 -3.764 -8.404 1.00 22.63 C ATOM 457 NZ LYS A 29 4.521 -5.036 -8.888 1.00 24.98 N ATOM 0 H LYS A 29 -0.592 -2.204 -7.644 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.998 -4.832 -8.320 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.677 -3.733 -5.989 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.683 -5.425 -6.443 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.648 -4.952 -8.579 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.366 -3.231 -8.408 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.019 -3.122 -6.565 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.273 -4.853 -6.670 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.395 -3.281 -9.221 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.730 -3.087 -8.103 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.211 -4.835 -9.640 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.998 -5.519 -8.100 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.768 -5.647 -9.264 1.00 24.98 H new ATOM 471 N ILE A 30 -2.471 -4.082 -5.409 1.00 4.57 N ATOM 472 CA ILE A 30 -3.533 -4.552 -4.470 1.00 5.58 C ATOM 473 C ILE A 30 -4.782 -4.839 -5.228 1.00 7.26 C ATOM 474 O ILE A 30 -5.509 -5.829 -4.987 1.00 9.46 O ATOM 475 CB ILE A 30 -3.771 -3.517 -3.312 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.503 -3.408 -2.474 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.059 -3.866 -2.529 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.548 -2.601 -1.163 1.00 2.00 C ATOM 0 H ILE A 30 -2.181 -3.118 -5.246 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.202 -5.476 -3.996 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.957 -2.517 -3.704 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.182 -4.420 -2.228 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.728 -2.972 -3.104 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.208 -3.139 -1.731 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.914 -3.843 -3.205 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.964 -4.863 -2.098 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.567 -2.622 -0.689 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.824 -1.569 -1.380 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.285 -3.040 -0.491 1.00 2.00 H new ATOM 490 N GLN A 31 -5.211 -3.924 -6.176 1.00 7.06 N ATOM 491 CA GLN A 31 -6.274 -4.257 -7.129 1.00 8.67 C ATOM 492 C GLN A 31 -6.176 -5.511 -7.956 1.00 10.90 C ATOM 493 O GLN A 31 -7.137 -6.276 -8.096 1.00 9.63 O ATOM 494 CB GLN A 31 -6.557 -3.017 -7.956 1.00 9.12 C ATOM 495 CG GLN A 31 -7.842 -3.141 -8.732 1.00 10.76 C ATOM 496 CD GLN A 31 -8.249 -1.860 -9.535 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.447 -0.991 -9.873 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.577 -1.761 -9.786 1.00 14.76 N ATOM 0 H GLN A 31 -4.831 -2.983 -6.276 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.119 -4.553 -6.507 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.611 -2.148 -7.300 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.731 -2.845 -8.646 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.751 -3.975 -9.428 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.646 -3.389 -8.039 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.209 -2.504 -9.489 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.945 -0.943 -10.272 1.00 14.76 H new ATOM 507 N ASP A 32 -5.019 -5.748 -8.601 1.00 10.93 N ATOM 508 CA ASP A 32 -4.698 -6.977 -9.423 1.00 14.01 C ATOM 509 C ASP A 32 -4.774 -8.175 -8.514 1.00 14.04 C ATOM 510 O ASP A 32 -5.139 -9.252 -8.949 1.00 13.39 O ATOM 511 CB ASP A 32 -3.331 -6.811 -10.071 1.00 18.01 C ATOM 512 CG ASP A 32 -2.957 -7.846 -11.124 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.800 -8.132 -12.012 1.00 26.29 O ATOM 514 OD2 ASP A 32 -1.870 -8.395 -11.055 1.00 25.17 O ATOM 0 H ASP A 32 -4.245 -5.084 -8.577 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.413 -7.118 -10.234 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.287 -5.823 -10.530 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.575 -6.832 -9.286 1.00 18.01 H new ATOM 519 N LYS A 33 -4.409 -8.098 -7.202 1.00 14.22 N ATOM 520 CA LYS A 33 -4.645 -9.231 -6.277 1.00 14.00 C ATOM 521 C LYS A 33 -6.040 -9.285 -5.774 1.00 12.37 C ATOM 522 O LYS A 33 -6.853 -10.085 -6.277 1.00 12.17 O ATOM 523 CB LYS A 33 -3.673 -9.123 -5.065 1.00 18.62 C ATOM 524 CG LYS A 33 -2.252 -9.455 -5.373 1.00 24.00 C ATOM 525 CD LYS A 33 -1.915 -10.886 -5.072 1.00 27.61 C ATOM 526 CE LYS A 33 -0.501 -11.235 -5.514 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.139 -12.485 -4.835 1.00 30.06 N ATOM 0 H LYS A 33 -3.963 -7.285 -6.776 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.465 -10.146 -6.842 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.717 -8.108 -4.671 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.024 -9.787 -4.275 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.056 -9.253 -6.426 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.597 -8.802 -4.796 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.017 -11.067 -4.002 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.626 -11.541 -5.575 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.453 -11.355 -6.596 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.194 -10.437 -5.251 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.486 -13.045 -5.449 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.354 -12.267 -3.946 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.000 -13.030 -4.629 1.00 30.06 H new ATOM 541 N GLU A 34 -6.483 -8.324 -4.860 1.00 10.11 N ATOM 542 CA GLU A 34 -7.658 -8.503 -4.033 1.00 10.07 C ATOM 543 C GLU A 34 -8.943 -7.974 -4.672 1.00 9.32 C ATOM 544 O GLU A 34 -10.068 -8.262 -4.221 1.00 11.61 O ATOM 545 CB GLU A 34 -7.543 -7.640 -2.711 1.00 14.77 C ATOM 546 CG GLU A 34 -6.832 -8.356 -1.509 1.00 18.75 C ATOM 547 CD GLU A 34 -7.669 -9.511 -1.059 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.866 -9.341 -0.576 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.106 -10.648 -1.093 1.00 21.95 O ATOM 0 H GLU A 34 -6.010 -7.432 -4.713 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.705 -9.580 -3.870 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.000 -6.723 -2.940 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.545 -7.347 -2.398 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.844 -8.703 -1.810 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.687 -7.655 -0.687 1.00 18.75 H new ATOM 556 N GLY A 35 -8.884 -7.231 -5.767 1.00 7.22 N ATOM 557 CA GLY A 35 -10.043 -6.619 -6.363 1.00 6.29 C ATOM 558 C GLY A 35 -10.540 -5.342 -5.788 1.00 6.93 C ATOM 559 O GLY A 35 -11.582 -4.866 -6.189 1.00 7.41 O ATOM 0 H GLY A 35 -8.015 -7.039 -6.266 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.823 -6.446 -7.416 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.858 -7.341 -6.322 1.00 6.29 H new ATOM 563 N ILE A 36 -9.840 -4.718 -4.832 1.00 5.86 N ATOM 564 CA ILE A 36 -10.227 -3.508 -4.158 1.00 6.07 C ATOM 565 C ILE A 36 -9.913 -2.307 -5.011 1.00 6.36 C ATOM 566 O ILE A 36 -8.735 -2.168 -5.461 1.00 6.18 O ATOM 567 CB ILE A 36 -9.458 -3.294 -2.829 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.550 -4.560 -1.927 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.991 -2.059 -2.100 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.399 -4.588 -0.934 1.00 9.49 C ATOM 0 H ILE A 36 -8.944 -5.076 -4.503 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.294 -3.611 -3.963 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.406 -3.127 -3.060 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.500 -4.565 -1.393 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.527 -5.457 -2.545 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.442 -1.921 -1.169 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.862 -1.180 -2.731 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.050 -2.195 -1.880 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.478 -5.479 -0.311 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.453 -4.605 -1.474 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.441 -3.700 -0.304 1.00 9.49 H new ATOM 582 N PRO A 37 -10.893 -1.429 -5.391 1.00 8.65 N ATOM 583 CA PRO A 37 -10.609 -0.127 -6.032 1.00 9.18 C ATOM 584 C PRO A 37 -9.548 0.682 -5.312 1.00 9.85 C ATOM 585 O PRO A 37 -9.737 0.734 -4.064 1.00 8.51 O ATOM 586 CB PRO A 37 -11.943 0.602 -6.016 1.00 11.42 C ATOM 587 CG PRO A 37 -13.025 -0.492 -6.011 1.00 9.27 C ATOM 588 CD PRO A 37 -12.329 -1.626 -5.245 1.00 8.33 C ATOM 0 HA PRO A 37 -10.206 -0.272 -7.034 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.029 1.239 -5.136 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.045 1.248 -6.888 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.936 -0.162 -5.512 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.305 -0.793 -7.020 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.614 -1.611 -4.193 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.626 -2.597 -5.642 1.00 8.33 H new ATOM 596 N PRO A 38 -8.456 1.251 -5.895 1.00 8.71 N ATOM 597 CA PRO A 38 -7.579 2.263 -5.313 1.00 9.08 C ATOM 598 C PRO A 38 -8.295 3.422 -4.636 1.00 9.28 C ATOM 599 O PRO A 38 -7.696 3.989 -3.719 1.00 6.50 O ATOM 600 CB PRO A 38 -6.637 2.622 -6.478 1.00 10.31 C ATOM 601 CG PRO A 38 -6.515 1.322 -7.255 1.00 10.81 C ATOM 602 CD PRO A 38 -7.912 0.807 -7.174 1.00 12.00 C ATOM 0 HA PRO A 38 -7.021 1.897 -4.451 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -7.049 3.420 -7.095 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.667 2.966 -6.118 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.195 1.486 -8.284 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.797 0.638 -6.803 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.512 1.187 -8.001 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.927 -0.281 -7.243 1.00 12.00 H new ATOM 610 N ASP A 39 -9.526 3.761 -4.989 1.00 11.20 N ATOM 611 CA ASP A 39 -10.339 4.769 -4.387 1.00 14.96 C ATOM 612 C ASP A 39 -10.807 4.293 -3.051 1.00 13.99 C ATOM 613 O ASP A 39 -11.240 5.070 -2.183 1.00 13.75 O ATOM 614 CB ASP A 39 -11.518 5.231 -5.302 1.00 24.16 C ATOM 615 CG ASP A 39 -11.019 6.124 -6.372 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.580 7.273 -6.100 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.052 5.658 -7.553 1.00 35.55 O ATOM 0 H ASP A 39 -10.003 3.296 -5.761 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.728 5.661 -4.249 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -12.007 4.362 -5.743 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.268 5.751 -4.706 1.00 24.16 H new ATOM 622 N GLN A 40 -10.769 2.992 -2.738 1.00 11.60 N ATOM 623 CA GLN A 40 -11.156 2.498 -1.443 1.00 10.76 C ATOM 624 C GLN A 40 -9.934 2.159 -0.601 1.00 8.01 C ATOM 625 O GLN A 40 -10.094 1.589 0.474 1.00 8.96 O ATOM 626 CB GLN A 40 -12.175 1.361 -1.458 1.00 11.14 C ATOM 627 CG GLN A 40 -13.505 1.775 -1.978 1.00 14.85 C ATOM 628 CD GLN A 40 -14.483 0.563 -1.920 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.171 -0.496 -1.353 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.606 0.833 -2.638 1.00 18.16 N ATOM 0 H GLN A 40 -10.467 2.265 -3.386 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.690 3.323 -0.972 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.791 0.545 -2.070 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.292 0.973 -0.446 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.898 2.602 -1.387 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.412 2.133 -3.003 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.736 1.755 -3.054 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.318 0.113 -2.761 1.00 18.16 H new ATOM 639 N GLN A 41 -8.707 2.542 -0.994 1.00 6.52 N ATOM 640 CA GLN A 41 -7.530 2.061 -0.285 1.00 3.87 C ATOM 641 C GLN A 41 -6.674 3.206 0.315 1.00 4.79 C ATOM 642 O GLN A 41 -6.331 4.135 -0.416 1.00 6.34 O ATOM 643 CB GLN A 41 -6.603 1.350 -1.255 1.00 4.20 C ATOM 644 CG GLN A 41 -7.141 -0.039 -1.784 1.00 3.20 C ATOM 645 CD GLN A 41 -6.093 -0.555 -2.740 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.916 -0.502 -2.402 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.405 -0.956 -4.025 1.00 7.13 N ATOM 0 H GLN A 41 -8.516 3.166 -1.778 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.910 1.417 0.508 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.422 2.003 -2.109 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.642 1.190 -0.767 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.295 -0.737 -0.961 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.102 0.080 -2.285 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.380 -1.005 -4.321 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.661 -1.203 -4.677 1.00 7.13 H new ATOM 656 N ARG A 42 -6.365 3.120 1.578 1.00 5.73 N ATOM 657 CA ARG A 42 -5.409 4.073 2.199 1.00 6.97 C ATOM 658 C ARG A 42 -4.318 3.295 2.842 1.00 7.15 C ATOM 659 O ARG A 42 -4.531 2.447 3.738 1.00 7.33 O ATOM 660 CB ARG A 42 -6.115 5.051 3.197 1.00 13.23 C ATOM 661 CG ARG A 42 -5.106 5.907 3.912 1.00 21.27 C ATOM 662 CD ARG A 42 -5.773 6.987 4.785 1.00 26.14 C ATOM 663 NE ARG A 42 -6.205 8.072 3.930 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.360 8.699 4.088 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.360 8.169 4.861 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.648 9.796 3.348 1.00 36.39 N ATOM 0 H ARG A 42 -6.741 2.418 2.215 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.982 4.713 1.427 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.818 5.685 2.656 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.694 4.481 3.923 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.475 5.276 4.537 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.454 6.385 3.181 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.624 6.567 5.322 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.072 7.353 5.535 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.591 8.367 3.171 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.222 7.273 5.329 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.242 8.670 4.968 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.974 10.142 2.666 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.539 10.276 3.473 1.00 36.39 H new ATOM 680 N LEU A 43 -3.065 3.475 2.383 1.00 4.65 N ATOM 681 CA LEU A 43 -1.908 2.718 2.857 1.00 3.51 C ATOM 682 C LEU A 43 -1.262 3.518 4.001 1.00 5.56 C ATOM 683 O LEU A 43 -1.080 4.728 3.792 1.00 4.19 O ATOM 684 CB LEU A 43 -0.875 2.472 1.743 1.00 3.74 C ATOM 685 CG LEU A 43 -1.165 1.244 0.833 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.258 -0.119 1.544 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.340 1.577 -0.105 1.00 6.41 C ATOM 0 H LEU A 43 -2.833 4.160 1.664 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.242 1.738 3.197 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.819 3.363 1.118 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.106 2.342 2.201 1.00 3.74 H new ATOM 0 HG LEU A 43 -0.277 1.076 0.223 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.463 -0.899 0.810 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.315 -0.332 2.047 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -2.063 -0.092 2.279 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.548 0.720 -0.746 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -3.224 1.810 0.488 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.080 2.437 -0.722 1.00 6.41 H new ATOM 699 N ILE A 44 -0.844 2.917 5.160 1.00 4.58 N ATOM 700 CA ILE A 44 -0.137 3.504 6.260 1.00 5.55 C ATOM 701 C ILE A 44 1.117 2.692 6.506 1.00 5.46 C ATOM 702 O ILE A 44 1.190 1.450 6.652 1.00 6.04 O ATOM 703 CB ILE A 44 -0.936 3.340 7.598 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.233 4.129 7.526 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.250 3.630 8.958 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.232 5.677 7.374 1.00 13.90 C ATOM 0 H ILE A 44 -1.027 1.927 5.325 1.00 4.58 H new ATOM 0 HA ILE A 44 0.037 4.551 6.012 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.068 2.258 7.630 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.802 3.728 6.687 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.795 3.899 8.431 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.961 3.462 9.767 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.606 2.967 9.083 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.088 4.666 8.982 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.259 6.040 7.343 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.714 6.126 8.222 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.722 5.952 6.451 1.00 13.90 H new ATOM 718 N PHE A 45 2.243 3.434 6.642 1.00 6.75 N ATOM 719 CA PHE A 45 3.538 2.961 6.983 1.00 4.70 C ATOM 720 C PHE A 45 3.964 3.799 8.120 1.00 6.34 C ATOM 721 O PHE A 45 3.644 4.961 8.183 1.00 5.45 O ATOM 722 CB PHE A 45 4.537 2.931 5.863 1.00 5.51 C ATOM 723 CG PHE A 45 5.629 1.896 6.076 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.283 0.558 6.294 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.974 2.322 6.221 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.276 -0.395 6.600 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.937 1.363 6.606 1.00 6.64 C ATOM 728 CZ PHE A 45 7.614 0.033 6.706 1.00 6.84 C ATOM 0 H PHE A 45 2.232 4.444 6.499 1.00 6.75 H new ATOM 0 HA PHE A 45 3.487 1.903 7.242 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.020 2.720 4.927 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.992 3.916 5.761 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.249 0.253 6.227 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.254 3.350 6.042 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.016 -1.432 6.750 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.945 1.682 6.826 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.395 -0.695 6.868 1.00 6.84 H new ATOM 738 N ALA A 46 4.557 3.188 9.164 1.00 6.53 N ATOM 739 CA ALA A 46 5.054 3.926 10.391 1.00 7.15 C ATOM 740 C ALA A 46 4.044 4.822 11.148 1.00 9.00 C ATOM 741 O ALA A 46 4.478 5.728 11.876 1.00 11.15 O ATOM 742 CB ALA A 46 6.371 4.642 10.014 1.00 8.99 C ATOM 0 H ALA A 46 4.714 2.181 9.203 1.00 6.53 H new ATOM 0 HA ALA A 46 5.228 3.172 11.158 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.752 5.183 10.880 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.107 3.905 9.694 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.184 5.344 9.202 1.00 8.99 H new ATOM 748 N GLY A 47 2.781 4.496 11.045 1.00 9.35 N ATOM 749 CA GLY A 47 1.603 5.129 11.679 1.00 11.68 C ATOM 750 C GLY A 47 1.131 6.361 10.856 1.00 11.14 C ATOM 751 O GLY A 47 0.120 6.918 11.215 1.00 13.93 O ATOM 0 H GLY A 47 2.501 3.706 10.463 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.792 4.405 11.756 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.852 5.438 12.694 1.00 11.68 H new ATOM 755 N LYS A 48 1.779 6.615 9.734 1.00 10.47 N ATOM 756 CA LYS A 48 1.570 7.833 9.000 1.00 8.82 C ATOM 757 C LYS A 48 1.057 7.487 7.595 1.00 7.68 C ATOM 758 O LYS A 48 1.033 6.354 7.113 1.00 6.47 O ATOM 759 CB LYS A 48 2.830 8.730 8.946 1.00 9.74 C ATOM 760 CG LYS A 48 4.059 8.068 8.407 1.00 14.14 C ATOM 761 CD LYS A 48 5.291 8.958 8.131 1.00 16.32 C ATOM 762 CE LYS A 48 6.344 8.403 7.169 1.00 20.04 C ATOM 763 NZ LYS A 48 7.648 9.085 7.376 1.00 23.92 N ATOM 0 H LYS A 48 2.460 5.982 9.314 1.00 10.47 H new ATOM 0 HA LYS A 48 0.821 8.424 9.527 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.609 9.604 8.333 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.043 9.092 9.952 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.357 7.291 9.111 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.790 7.569 7.476 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.939 9.911 7.736 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.778 9.168 9.083 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.459 7.330 7.325 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.014 8.541 6.140 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.351 8.697 6.716 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.538 10.105 7.204 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.969 8.931 8.353 1.00 23.92 H new ATOM 777 N GLN A 49 0.577 8.545 6.873 1.00 8.89 N ATOM 778 CA GLN A 49 -0.136 8.440 5.608 1.00 7.18 C ATOM 779 C GLN A 49 0.939 8.532 4.541 1.00 8.23 C ATOM 780 O GLN A 49 1.990 9.151 4.757 1.00 9.70 O ATOM 781 CB GLN A 49 -1.234 9.563 5.456 1.00 11.67 C ATOM 782 CG GLN A 49 -2.522 9.235 6.204 1.00 15.82 C ATOM 783 CD GLN A 49 -3.411 10.450 6.349 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.441 11.141 7.330 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.219 10.623 5.270 1.00 20.67 N ATOM 0 H GLN A 49 0.690 9.510 7.183 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.692 7.506 5.531 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.835 10.507 5.826 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.459 9.704 4.399 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.062 8.451 5.673 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.279 8.842 7.191 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.140 9.998 4.468 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.905 11.378 5.262 1.00 20.67 H new ATOM 794 N LEU A 50 0.646 8.030 3.296 1.00 6.51 N ATOM 795 CA LEU A 50 1.718 7.988 2.321 1.00 7.41 C ATOM 796 C LEU A 50 1.290 8.635 1.046 1.00 8.27 C ATOM 797 O LEU A 50 0.186 8.471 0.505 1.00 8.34 O ATOM 798 CB LEU A 50 2.009 6.523 1.979 1.00 7.13 C ATOM 799 CG LEU A 50 2.427 5.636 3.175 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.471 4.142 2.765 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.748 6.052 3.738 1.00 9.11 C ATOM 0 H LEU A 50 -0.261 7.680 2.987 1.00 6.51 H new ATOM 0 HA LEU A 50 2.584 8.499 2.740 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.120 6.091 1.520 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.801 6.492 1.231 1.00 7.13 H new ATOM 0 HG LEU A 50 1.673 5.768 3.951 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.767 3.538 3.623 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.484 3.829 2.424 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.193 4.007 1.959 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.006 5.405 4.576 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.514 5.970 2.967 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.688 7.085 4.082 1.00 9.11 H new ATOM 813 N GLU A 51 2.249 9.383 0.403 1.00 9.43 N ATOM 814 CA GLU A 51 1.873 10.021 -0.860 1.00 11.90 C ATOM 815 C GLU A 51 1.820 9.182 -2.106 1.00 11.49 C ATOM 816 O GLU A 51 2.606 8.266 -2.260 1.00 9.88 O ATOM 817 CB GLU A 51 2.714 11.224 -1.025 1.00 16.56 C ATOM 818 CG GLU A 51 2.534 12.322 0.034 1.00 26.06 C ATOM 819 CD GLU A 51 1.312 13.231 -0.130 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.300 14.027 -1.134 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.377 13.161 0.684 1.00 33.44 O ATOM 0 H GLU A 51 3.205 9.538 0.723 1.00 9.43 H new ATOM 0 HA GLU A 51 0.815 10.261 -0.756 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.759 10.915 -1.025 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.509 11.655 -2.005 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.477 11.847 1.013 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.427 12.947 0.034 1.00 26.06 H new ATOM 828 N ASP A 52 0.898 9.478 -3.034 1.00 12.71 N ATOM 829 CA ASP A 52 0.693 8.646 -4.259 1.00 16.56 C ATOM 830 C ASP A 52 1.843 8.687 -5.257 1.00 15.83 C ATOM 831 O ASP A 52 2.188 7.682 -5.841 1.00 17.21 O ATOM 832 CB ASP A 52 -0.522 9.115 -5.021 1.00 21.05 C ATOM 833 CG ASP A 52 -1.790 8.625 -4.421 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.130 8.986 -3.241 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.592 7.872 -5.037 1.00 25.82 O ATOM 0 H ASP A 52 0.276 10.284 -2.972 1.00 12.71 H new ATOM 0 HA ASP A 52 0.594 7.632 -3.872 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.533 10.205 -5.047 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.455 8.772 -6.053 1.00 21.05 H new ATOM 840 N GLY A 53 2.538 9.827 -5.434 1.00 15.00 N ATOM 841 CA GLY A 53 3.741 9.899 -6.256 1.00 11.77 C ATOM 842 C GLY A 53 5.023 9.540 -5.615 1.00 11.10 C ATOM 843 O GLY A 53 6.041 9.669 -6.257 1.00 11.25 O ATOM 0 H GLY A 53 2.275 10.716 -5.009 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.600 9.246 -7.117 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.828 10.916 -6.638 1.00 11.77 H new ATOM 847 N ARG A 54 5.019 9.116 -4.357 1.00 8.53 N ATOM 848 CA ARG A 54 6.288 8.817 -3.711 1.00 9.05 C ATOM 849 C ARG A 54 6.456 7.305 -3.662 1.00 8.96 C ATOM 850 O ARG A 54 5.479 6.548 -3.696 1.00 11.60 O ATOM 851 CB ARG A 54 6.389 9.394 -2.268 1.00 7.97 C ATOM 852 CG ARG A 54 6.311 10.967 -2.188 1.00 9.62 C ATOM 853 CD ARG A 54 7.631 11.684 -2.701 1.00 12.20 C ATOM 854 NE ARG A 54 7.624 13.142 -2.149 1.00 18.23 N ATOM 855 CZ ARG A 54 8.201 13.363 -0.945 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.295 12.758 -0.557 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.805 14.454 -0.257 1.00 23.38 N ATOM 0 H ARG A 54 4.187 8.976 -3.784 1.00 8.53 H new ATOM 0 HA ARG A 54 7.078 9.290 -4.294 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.586 8.971 -1.664 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.329 9.066 -1.824 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.464 11.313 -2.780 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.122 11.263 -1.156 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.516 11.149 -2.356 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.665 11.688 -3.790 1.00 12.20 H new ATOM 0 HE ARG A 54 7.199 13.904 -2.678 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.752 12.085 -1.173 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.691 12.959 0.361 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.096 15.074 -0.649 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.214 14.658 0.655 1.00 23.38 H new ATOM 871 N THR A 55 7.715 6.804 -3.531 1.00 9.05 N ATOM 872 CA THR A 55 7.996 5.389 -3.692 1.00 9.03 C ATOM 873 C THR A 55 8.145 4.671 -2.373 1.00 8.15 C ATOM 874 O THR A 55 8.210 5.342 -1.350 1.00 5.91 O ATOM 875 CB THR A 55 9.121 5.076 -4.619 1.00 11.15 C ATOM 876 OG1 THR A 55 10.395 5.419 -4.107 1.00 11.95 O ATOM 877 CG2 THR A 55 9.052 5.838 -5.916 1.00 11.71 C ATOM 0 H THR A 55 8.534 7.373 -3.315 1.00 9.05 H new ATOM 0 HA THR A 55 7.105 4.998 -4.183 1.00 9.03 H new ATOM 0 HB THR A 55 9.009 4.000 -4.756 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.429 6.383 -3.932 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.899 5.564 -6.544 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.123 5.594 -6.432 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.083 6.908 -5.711 1.00 11.71 H new ATOM 885 N LEU A 56 8.160 3.336 -2.380 1.00 6.91 N ATOM 886 CA LEU A 56 8.474 2.473 -1.255 1.00 8.29 C ATOM 887 C LEU A 56 9.833 2.736 -0.600 1.00 8.05 C ATOM 888 O LEU A 56 9.947 2.826 0.629 1.00 10.17 O ATOM 889 CB LEU A 56 8.354 1.017 -1.849 1.00 6.60 C ATOM 890 CG LEU A 56 6.988 0.653 -2.190 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.086 -0.596 -3.059 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.144 0.417 -0.933 1.00 8.64 C ATOM 0 H LEU A 56 7.940 2.805 -3.222 1.00 6.91 H new ATOM 0 HA LEU A 56 7.791 2.653 -0.425 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.977 0.942 -2.740 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.745 0.302 -1.125 1.00 6.60 H new ATOM 0 HG LEU A 56 6.485 1.456 -2.729 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.085 -0.918 -3.348 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.667 -0.372 -3.954 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.576 -1.392 -2.498 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.128 0.147 -1.222 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.582 -0.391 -0.347 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.121 1.328 -0.334 1.00 8.64 H new ATOM 904 N SER A 57 10.916 2.929 -1.372 1.00 8.92 N ATOM 905 CA SER A 57 12.240 3.392 -0.937 1.00 9.00 C ATOM 906 C SER A 57 12.242 4.699 -0.197 1.00 9.44 C ATOM 907 O SER A 57 12.939 4.877 0.850 1.00 10.91 O ATOM 908 CB SER A 57 13.384 3.323 -1.933 1.00 10.32 C ATOM 909 OG SER A 57 13.189 4.101 -3.074 1.00 13.59 O ATOM 0 H SER A 57 10.886 2.755 -2.377 1.00 8.92 H new ATOM 0 HA SER A 57 12.468 2.600 -0.223 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.302 3.643 -1.440 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.529 2.285 -2.233 1.00 10.32 H new ATOM 0 HG SER A 57 12.547 3.657 -3.667 1.00 13.59 H new ATOM 915 N ASP A 58 11.323 5.617 -0.508 1.00 9.11 N ATOM 916 CA ASP A 58 11.264 6.884 0.240 1.00 7.91 C ATOM 917 C ASP A 58 10.643 6.802 1.558 1.00 9.12 C ATOM 918 O ASP A 58 10.738 7.723 2.383 1.00 8.61 O ATOM 919 CB ASP A 58 10.394 7.848 -0.618 1.00 8.41 C ATOM 920 CG ASP A 58 10.888 8.220 -2.017 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.946 8.876 -2.134 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.227 7.856 -3.048 1.00 11.70 O ATOM 0 H ASP A 58 10.628 5.517 -1.248 1.00 9.11 H new ATOM 0 HA ASP A 58 12.291 7.207 0.410 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.406 7.400 -0.723 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.267 8.772 -0.054 1.00 8.41 H new ATOM 927 N TYR A 59 9.896 5.684 1.824 1.00 7.97 N ATOM 928 CA TYR A 59 9.329 5.368 3.063 1.00 8.45 C ATOM 929 C TYR A 59 10.052 4.280 3.905 1.00 10.98 C ATOM 930 O TYR A 59 9.582 3.817 4.946 1.00 12.95 O ATOM 931 CB TYR A 59 7.855 5.038 2.867 1.00 7.94 C ATOM 932 CG TYR A 59 7.104 6.296 2.458 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.034 7.430 3.270 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.460 6.375 1.214 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.360 8.589 2.858 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.789 7.485 0.742 1.00 6.52 C ATOM 937 CZ TYR A 59 5.793 8.637 1.577 1.00 6.76 C ATOM 938 OH TYR A 59 5.135 9.785 1.072 1.00 7.63 O ATOM 0 H TYR A 59 9.697 4.983 1.110 1.00 7.97 H new ATOM 0 HA TYR A 59 9.455 6.262 3.674 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.742 4.269 2.103 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.436 4.635 3.789 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.511 7.414 4.239 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.492 5.502 0.578 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.279 9.437 3.522 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.286 7.479 -0.214 1.00 6.52 H new ATOM 0 HH TYR A 59 5.793 10.492 0.905 1.00 7.63 H new ATOM 948 N ASN A 60 11.243 3.887 3.447 1.00 12.38 N ATOM 949 CA ASN A 60 12.131 2.817 3.976 1.00 13.94 C ATOM 950 C ASN A 60 11.391 1.432 3.974 1.00 14.16 C ATOM 951 O ASN A 60 11.547 0.656 4.925 1.00 14.26 O ATOM 952 CB ASN A 60 12.643 3.258 5.352 1.00 19.23 C ATOM 953 CG ASN A 60 13.587 4.427 5.146 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.195 4.673 4.057 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.895 5.090 6.278 1.00 24.09 N ATOM 0 H ASN A 60 11.656 4.338 2.631 1.00 12.38 H new ATOM 0 HA ASN A 60 13.001 2.669 3.336 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.811 3.548 5.994 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.157 2.436 5.849 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.626 5.802 6.270 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.397 4.880 7.143 1.00 24.09 H new ATOM 962 N ILE A 61 10.640 1.092 2.897 1.00 11.08 N ATOM 963 CA ILE A 61 9.945 -0.150 2.815 1.00 11.78 C ATOM 964 C ILE A 61 10.795 -1.178 2.062 1.00 13.74 C ATOM 965 O ILE A 61 10.888 -1.209 0.820 1.00 14.60 O ATOM 966 CB ILE A 61 8.533 0.026 2.186 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.635 0.915 3.063 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.894 -1.332 1.976 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.464 1.619 2.435 1.00 11.42 C ATOM 0 H ILE A 61 10.520 1.691 2.080 1.00 11.08 H new ATOM 0 HA ILE A 61 9.783 -0.527 3.825 1.00 11.78 H new ATOM 0 HB ILE A 61 8.646 0.523 1.223 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.250 0.295 3.873 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.270 1.675 3.518 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.905 -1.205 1.535 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.516 -1.927 1.307 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.801 -1.842 2.935 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.940 2.201 3.193 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.819 2.284 1.648 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.783 0.883 2.008 1.00 11.42 H new ATOM 981 N GLN A 62 11.359 -2.114 2.805 1.00 13.97 N ATOM 982 CA GLN A 62 12.295 -3.098 2.294 1.00 15.52 C ATOM 983 C GLN A 62 11.711 -4.489 2.428 1.00 13.94 C ATOM 984 O GLN A 62 10.639 -4.684 2.972 1.00 12.15 O ATOM 985 CB GLN A 62 13.671 -3.089 3.082 1.00 19.53 C ATOM 986 CG GLN A 62 14.327 -1.732 3.104 1.00 26.38 C ATOM 987 CD GLN A 62 15.438 -1.524 4.186 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.288 -1.644 5.406 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.617 -1.136 3.683 1.00 32.71 N ATOM 0 H GLN A 62 11.174 -2.213 3.803 1.00 13.97 H new ATOM 0 HA GLN A 62 12.476 -2.837 1.251 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.499 -3.420 4.106 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.351 -3.808 2.624 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.764 -1.546 2.123 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.554 -0.979 3.257 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.734 -1.039 2.674 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.398 -0.938 4.309 1.00 32.71 H new ATOM 998 N LYS A 63 12.405 -5.523 1.893 1.00 11.73 N ATOM 999 CA LYS A 63 11.866 -6.878 1.778 1.00 11.97 C ATOM 1000 C LYS A 63 11.425 -7.543 3.090 1.00 10.41 C ATOM 1001 O LYS A 63 12.124 -7.529 4.077 1.00 9.59 O ATOM 1002 CB LYS A 63 12.859 -7.853 1.014 1.00 13.73 C ATOM 1003 CG LYS A 63 14.223 -8.109 1.600 1.00 16.98 C ATOM 1004 CD LYS A 63 14.958 -9.182 0.765 1.00 20.19 C ATOM 1005 CE LYS A 63 16.389 -9.500 1.218 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.494 -9.968 2.633 1.00 25.97 N ATOM 0 H LYS A 63 13.354 -5.429 1.532 1.00 11.73 H new ATOM 0 HA LYS A 63 10.957 -6.723 1.197 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.359 -8.816 0.909 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.001 -7.457 0.009 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.802 -7.186 1.614 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.128 -8.441 2.634 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.374 -10.102 0.791 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.988 -8.853 -0.274 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.804 -10.265 0.562 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.003 -8.608 1.096 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.490 -10.161 2.862 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.129 -9.231 3.270 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.936 -10.837 2.753 1.00 25.97 H new ATOM 1020 N GLU A 64 10.204 -8.088 3.047 1.00 10.04 N ATOM 1021 CA GLU A 64 9.457 -8.795 4.081 1.00 10.94 C ATOM 1022 C GLU A 64 8.755 -7.801 5.042 1.00 9.74 C ATOM 1023 O GLU A 64 8.112 -8.209 5.974 1.00 9.42 O ATOM 1024 CB GLU A 64 10.270 -9.835 4.816 1.00 18.31 C ATOM 1025 CG GLU A 64 10.899 -10.965 3.914 1.00 24.16 C ATOM 1026 CD GLU A 64 11.602 -12.027 4.667 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.725 -11.762 5.214 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.134 -13.171 4.619 1.00 31.72 O ATOM 0 H GLU A 64 9.658 -8.035 2.187 1.00 10.04 H new ATOM 0 HA GLU A 64 8.682 -9.362 3.566 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.075 -9.331 5.351 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.634 -10.305 5.566 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.107 -11.421 3.319 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.599 -10.508 3.215 1.00 24.16 H new ATOM 1035 N SER A 65 8.843 -6.449 4.821 1.00 6.85 N ATOM 1036 CA SER A 65 8.084 -5.473 5.627 1.00 6.90 C ATOM 1037 C SER A 65 6.601 -5.640 5.527 1.00 4.72 C ATOM 1038 O SER A 65 6.056 -5.984 4.482 1.00 3.91 O ATOM 1039 CB SER A 65 8.447 -4.040 5.200 1.00 7.28 C ATOM 1040 OG SER A 65 9.788 -3.713 5.364 1.00 10.56 O ATOM 0 H SER A 65 9.428 -6.030 4.098 1.00 6.85 H new ATOM 0 HA SER A 65 8.365 -5.657 6.664 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.179 -3.908 4.152 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.842 -3.339 5.775 1.00 7.28 H new ATOM 0 HG SER A 65 10.312 -4.106 4.635 1.00 10.56 H new ATOM 1046 N THR A 66 5.935 -5.285 6.635 1.00 4.48 N ATOM 1047 CA THR A 66 4.461 -5.335 6.676 1.00 3.80 C ATOM 1048 C THR A 66 3.907 -3.997 6.486 1.00 4.60 C ATOM 1049 O THR A 66 4.334 -3.013 7.052 1.00 5.33 O ATOM 1050 CB THR A 66 3.934 -5.902 8.011 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.327 -7.280 8.032 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.358 -5.999 8.088 1.00 3.40 C ATOM 0 H THR A 66 6.378 -4.967 7.497 1.00 4.48 H new ATOM 0 HA THR A 66 4.144 -5.998 5.871 1.00 3.80 H new ATOM 0 HB THR A 66 4.311 -5.255 8.803 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.019 -7.695 8.864 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.065 -6.406 9.056 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.926 -5.006 7.967 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.994 -6.652 7.295 1.00 3.40 H new ATOM 1060 N LEU A 67 2.801 -3.875 5.711 1.00 4.17 N ATOM 1061 CA LEU A 67 2.178 -2.629 5.296 1.00 3.85 C ATOM 1062 C LEU A 67 0.757 -2.632 5.763 1.00 3.80 C ATOM 1063 O LEU A 67 -0.006 -3.417 5.325 1.00 5.54 O ATOM 1064 CB LEU A 67 2.327 -2.464 3.772 1.00 7.18 C ATOM 1065 CG LEU A 67 3.383 -1.418 3.392 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.808 -1.847 3.803 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.250 -1.029 1.902 1.00 11.66 C ATOM 0 H LEU A 67 2.309 -4.692 5.350 1.00 4.17 H new ATOM 0 HA LEU A 67 2.666 -1.765 5.746 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.597 -3.424 3.331 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.366 -2.176 3.346 1.00 7.18 H new ATOM 0 HG LEU A 67 3.193 -0.512 3.968 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.519 -1.074 3.512 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.848 -1.989 4.883 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.065 -2.782 3.304 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.007 -0.286 1.651 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.390 -1.914 1.281 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.259 -0.612 1.722 1.00 11.66 H new ATOM 1079 N HIS A 68 0.369 -1.678 6.626 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.999 -1.528 7.056 1.00 4.17 C ATOM 1081 C HIS A 68 -1.842 -0.971 5.876 1.00 5.32 C ATOM 1082 O HIS A 68 -1.548 0.116 5.378 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.220 -0.570 8.330 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.759 -1.304 9.529 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.190 -0.736 10.613 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.855 -2.673 9.825 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.069 -1.721 11.518 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.289 -2.905 11.069 1.00 16.30 N ATOM 0 H HIS A 68 1.008 -0.997 7.036 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.314 -2.524 7.368 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.662 0.359 8.212 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.271 -0.300 8.428 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.298 -3.424 9.187 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.514 -1.551 12.487 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.174 -3.804 11.537 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.964 -1.660 5.487 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.970 -1.065 4.654 1.00 3.97 C ATOM 1098 C LEU A 69 -5.204 -0.750 5.436 1.00 5.07 C ATOM 1099 O LEU A 69 -5.575 -1.471 6.348 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.381 -2.052 3.585 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.495 -1.620 2.541 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.148 -0.399 1.743 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.841 -2.716 1.597 1.00 9.96 C ATOM 0 H LEU A 69 -3.159 -2.624 5.756 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.548 -0.153 4.232 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.487 -2.322 3.023 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.729 -2.956 4.085 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.355 -1.381 3.166 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.961 -0.172 1.054 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.996 0.445 2.416 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.234 -0.581 1.178 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.607 -2.370 0.903 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.952 -3.010 1.039 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.218 -3.573 2.156 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.798 0.456 5.209 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.055 0.896 5.781 1.00 6.26 C ATOM 1117 C VAL A 70 -8.050 1.174 4.657 1.00 9.22 C ATOM 1118 O VAL A 70 -7.675 1.740 3.635 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.753 2.173 6.606 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.831 2.411 7.709 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.469 2.111 7.288 1.00 8.54 C ATOM 0 H VAL A 70 -5.380 1.157 4.597 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.498 0.138 6.427 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.749 2.983 5.876 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.587 3.315 8.267 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.810 2.526 7.243 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -7.851 1.559 8.388 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.311 3.032 7.850 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.461 1.262 7.972 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.672 1.992 6.554 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.370 0.871 4.851 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.469 1.324 4.060 1.00 16.06 C ATOM 1133 C LEU A 71 -10.632 2.822 3.927 1.00 18.09 C ATOM 1134 O LEU A 71 -10.793 3.602 4.915 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.838 0.779 4.633 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.190 1.152 3.883 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.261 0.555 2.449 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.359 0.482 4.657 1.00 19.57 C ATOM 0 H LEU A 71 -9.671 0.268 5.617 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.226 0.933 3.072 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.770 -0.308 4.669 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.926 1.127 5.662 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.244 2.240 3.834 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.204 0.840 1.982 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.432 0.938 1.854 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.197 -0.532 2.504 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.303 0.719 4.167 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.217 -0.599 4.667 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.378 0.855 5.681 1.00 19.57 H new