USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -72:sc= 1.96 USER MOD Set 1.2: A 57 SER OG : rot -32:sc= 0.867 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0375 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.504 K(o=0.47,f=-4!) USER MOD Set 3.1: A 7 THR OG1 : rot 113:sc= 0.0126 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 2.24 (180deg=1.95) USER MOD Single : A 2 GLN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.0686 (180deg=-0.602) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.000503 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.67 (180deg=1.39) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0322 (180deg=-0.475) USER MOD Single : A 40 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 1.12 K(o=1.1,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.733 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00655) USER MOD Single : A 65 SER OG : rot 96:sc= 1.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0208 X(o=0.021,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.515 -6.999 -4.792 1.00 9.67 N ATOM 2 CA MET A 1 11.449 -7.571 -3.372 1.00 10.38 C ATOM 3 C MET A 1 10.053 -7.930 -3.034 1.00 9.62 C ATOM 4 O MET A 1 9.094 -7.416 -3.576 1.00 9.62 O ATOM 5 CB MET A 1 12.083 -6.475 -2.534 1.00 13.77 C ATOM 6 CG MET A 1 11.347 -5.107 -2.554 1.00 16.29 C ATOM 7 SD MET A 1 12.149 -3.926 -1.423 1.00 17.17 S ATOM 8 CE MET A 1 10.952 -2.618 -1.806 1.00 16.11 C ATOM 0 H1 MET A 1 12.469 -6.626 -4.972 1.00 9.67 H new ATOM 0 H2 MET A 1 11.302 -7.750 -5.479 1.00 9.67 H new ATOM 0 H3 MET A 1 10.819 -6.233 -4.890 1.00 9.67 H new ATOM 0 HA MET A 1 11.980 -8.509 -3.211 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.144 -6.820 -1.502 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.105 -6.323 -2.880 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.346 -4.704 -3.567 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.305 -5.245 -2.264 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.196 -1.723 -1.234 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.991 -2.390 -2.871 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.949 -2.954 -1.543 1.00 16.11 H new ATOM 20 N GLN A 2 9.889 -8.859 -2.030 1.00 9.27 N ATOM 21 CA GLN A 2 8.627 -9.360 -1.486 1.00 9.07 C ATOM 22 C GLN A 2 8.316 -8.448 -0.357 1.00 8.72 C ATOM 23 O GLN A 2 9.219 -8.101 0.445 1.00 8.22 O ATOM 24 CB GLN A 2 8.797 -10.744 -0.824 1.00 14.46 C ATOM 25 CG GLN A 2 8.875 -12.008 -1.836 1.00 17.01 C ATOM 26 CD GLN A 2 7.572 -12.319 -2.591 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.757 -13.054 -2.050 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.384 -11.716 -3.816 1.00 19.49 N ATOM 0 H GLN A 2 10.694 -9.285 -1.571 1.00 9.27 H new ATOM 0 HA GLN A 2 7.884 -9.419 -2.282 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.706 -10.728 -0.222 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.964 -10.902 -0.139 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.664 -11.822 -2.565 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.167 -12.891 -1.268 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.110 -11.114 -4.205 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.519 -11.871 -4.333 1.00 19.49 H new ATOM 37 N ILE A 3 7.025 -8.043 -0.188 1.00 5.87 N ATOM 38 CA ILE A 3 6.537 -7.220 0.908 1.00 5.07 C ATOM 39 C ILE A 3 5.218 -7.783 1.303 1.00 4.01 C ATOM 40 O ILE A 3 4.593 -8.506 0.556 1.00 4.61 O ATOM 41 CB ILE A 3 6.459 -5.709 0.544 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.460 -5.336 -0.577 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.934 -5.159 0.356 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.210 -3.859 -0.684 1.00 10.83 C ATOM 0 H ILE A 3 6.287 -8.300 -0.844 1.00 5.87 H new ATOM 0 HA ILE A 3 7.235 -7.251 1.745 1.00 5.07 H new ATOM 0 HB ILE A 3 5.999 -5.183 1.381 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.841 -5.703 -1.530 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.514 -5.845 -0.395 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.898 -4.100 0.100 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.492 -5.289 1.283 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.428 -5.709 -0.445 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.501 -3.667 -1.489 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.800 -3.490 0.256 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.148 -3.346 -0.897 1.00 10.83 H new ATOM 56 N PHE A 4 4.719 -7.402 2.508 1.00 4.55 N ATOM 57 CA PHE A 4 3.493 -7.920 3.047 1.00 4.68 C ATOM 58 C PHE A 4 2.603 -6.726 3.213 1.00 5.30 C ATOM 59 O PHE A 4 3.020 -5.674 3.665 1.00 5.58 O ATOM 60 CB PHE A 4 3.690 -8.655 4.422 1.00 4.83 C ATOM 61 CG PHE A 4 4.689 -9.748 4.290 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.603 -10.732 3.265 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.750 -9.803 5.228 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.686 -11.593 3.132 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.762 -10.779 5.176 1.00 10.61 C ATOM 66 CZ PHE A 4 6.730 -11.635 4.099 1.00 8.90 C ATOM 0 H PHE A 4 5.179 -6.722 3.114 1.00 4.55 H new ATOM 0 HA PHE A 4 3.072 -8.673 2.381 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.020 -7.942 5.178 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.738 -9.063 4.762 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.738 -10.806 2.622 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.783 -9.065 6.016 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.737 -12.246 2.274 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.522 -10.852 5.940 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.521 -12.361 3.984 1.00 8.90 H new ATOM 76 N VAL A 5 1.287 -6.840 2.905 1.00 4.44 N ATOM 77 CA VAL A 5 0.280 -5.758 3.158 1.00 3.87 C ATOM 78 C VAL A 5 -0.801 -6.367 4.020 1.00 4.93 C ATOM 79 O VAL A 5 -1.319 -7.403 3.665 1.00 6.84 O ATOM 80 CB VAL A 5 -0.277 -5.232 1.840 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.408 -4.251 2.109 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.865 -4.495 1.166 1.00 9.13 C ATOM 0 H VAL A 5 0.888 -7.675 2.477 1.00 4.44 H new ATOM 0 HA VAL A 5 0.729 -4.904 3.665 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.664 -6.043 1.223 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.801 -3.880 1.162 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.203 -4.754 2.659 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.032 -3.415 2.699 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.526 -4.093 0.211 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.199 -3.678 1.806 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.693 -5.184 0.996 1.00 9.13 H new ATOM 92 N LYS A 6 -1.174 -5.734 5.132 1.00 6.04 N ATOM 93 CA LYS A 6 -2.177 -6.340 5.988 1.00 6.12 C ATOM 94 C LYS A 6 -3.377 -5.395 6.351 1.00 6.57 C ATOM 95 O LYS A 6 -3.166 -4.160 6.478 1.00 5.76 O ATOM 96 CB LYS A 6 -1.513 -6.710 7.313 1.00 7.45 C ATOM 97 CG LYS A 6 -0.510 -7.846 7.086 1.00 11.12 C ATOM 98 CD LYS A 6 0.154 -8.365 8.401 1.00 14.54 C ATOM 99 CE LYS A 6 -0.844 -9.242 9.137 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.182 -9.926 10.251 1.00 20.55 N ATOM 0 H LYS A 6 -0.809 -4.835 5.448 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.572 -7.190 5.432 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.005 -5.841 7.732 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.268 -7.017 8.036 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.018 -8.675 6.593 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.270 -7.501 6.407 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.057 -8.931 8.171 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.455 -7.526 9.029 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.669 -8.635 9.510 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.272 -9.974 8.452 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.871 -10.524 10.750 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.590 -10.519 9.885 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.206 -9.221 10.910 1.00 20.55 H new ATOM 114 N THR A 7 -4.607 -5.900 6.509 1.00 7.41 N ATOM 115 CA THR A 7 -5.885 -5.170 6.435 1.00 7.48 C ATOM 116 C THR A 7 -6.514 -5.185 7.838 1.00 8.75 C ATOM 117 O THR A 7 -5.996 -5.795 8.779 1.00 8.58 O ATOM 118 CB THR A 7 -6.838 -5.725 5.448 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.542 -6.890 5.840 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.994 -6.009 4.152 1.00 9.17 C ATOM 0 H THR A 7 -4.748 -6.891 6.704 1.00 7.41 H new ATOM 0 HA THR A 7 -5.671 -4.157 6.095 1.00 7.48 H new ATOM 0 HB THR A 7 -7.634 -4.994 5.309 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.493 -6.678 5.945 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.642 -6.423 3.379 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.551 -5.079 3.795 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.203 -6.722 4.382 1.00 9.17 H new ATOM 128 N LEU A 8 -7.628 -4.456 8.091 1.00 9.84 N ATOM 129 CA LEU A 8 -8.317 -4.417 9.411 1.00 14.15 C ATOM 130 C LEU A 8 -9.011 -5.706 9.843 1.00 17.37 C ATOM 131 O LEU A 8 -9.293 -5.968 11.000 1.00 17.01 O ATOM 132 CB LEU A 8 -9.243 -3.179 9.550 1.00 16.63 C ATOM 133 CG LEU A 8 -9.553 -2.793 11.002 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.373 -2.114 11.710 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.757 -1.828 11.021 1.00 18.59 C ATOM 0 H LEU A 8 -8.079 -3.875 7.384 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.499 -4.315 10.124 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.775 -2.330 9.051 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.180 -3.378 9.030 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.769 -3.717 11.537 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.656 -1.866 12.733 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.519 -2.791 11.724 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.105 -1.202 11.177 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.983 -1.549 12.050 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.515 -0.933 10.447 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.624 -2.319 10.579 1.00 18.59 H new ATOM 147 N THR A 9 -9.296 -6.571 8.825 1.00 18.33 N ATOM 148 CA THR A 9 -9.910 -7.871 9.015 1.00 19.24 C ATOM 149 C THR A 9 -8.889 -8.986 9.123 1.00 19.48 C ATOM 150 O THR A 9 -9.260 -10.149 9.242 1.00 23.14 O ATOM 151 CB THR A 9 -10.822 -8.278 7.891 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.165 -8.156 6.653 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.937 -7.133 7.844 1.00 19.70 C ATOM 0 H THR A 9 -9.094 -6.359 7.848 1.00 18.33 H new ATOM 0 HA THR A 9 -10.472 -7.745 9.940 1.00 19.24 H new ATOM 0 HB THR A 9 -11.179 -9.296 8.045 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.772 -8.426 5.933 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.649 -7.351 7.048 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.461 -7.096 8.799 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.462 -6.170 7.653 1.00 19.70 H new ATOM 161 N GLY A 10 -7.597 -8.588 9.187 1.00 19.43 N ATOM 162 CA GLY A 10 -6.498 -9.438 9.522 1.00 18.74 C ATOM 163 C GLY A 10 -5.856 -10.289 8.523 1.00 17.62 C ATOM 164 O GLY A 10 -4.869 -10.973 8.830 1.00 19.74 O ATOM 0 H GLY A 10 -7.312 -7.628 8.995 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.720 -8.799 9.940 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.838 -10.093 10.324 1.00 18.74 H new ATOM 168 N LYS A 11 -6.302 -10.385 7.302 1.00 13.56 N ATOM 169 CA LYS A 11 -5.667 -11.021 6.110 1.00 11.91 C ATOM 170 C LYS A 11 -4.331 -10.366 5.681 1.00 10.18 C ATOM 171 O LYS A 11 -3.944 -9.254 6.030 1.00 9.10 O ATOM 172 CB LYS A 11 -6.617 -11.263 4.964 1.00 13.43 C ATOM 173 CG LYS A 11 -7.022 -10.005 4.281 1.00 16.69 C ATOM 174 CD LYS A 11 -8.072 -10.170 3.121 1.00 17.92 C ATOM 175 CE LYS A 11 -7.439 -10.685 1.804 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.413 -10.655 0.719 1.00 21.93 N ATOM 0 H LYS A 11 -7.210 -9.989 7.059 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.389 -12.017 6.455 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.146 -11.929 4.241 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.506 -11.773 5.335 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.434 -9.324 5.026 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.129 -9.530 3.874 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.851 -10.863 3.439 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.555 -9.210 2.935 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.578 -10.070 1.544 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.074 -11.702 1.944 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.106 -11.295 -0.041 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.340 -10.962 1.076 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.489 -9.687 0.347 1.00 21.93 H new ATOM 190 N THR A 12 -3.450 -11.109 4.982 1.00 9.63 N ATOM 191 CA THR A 12 -2.110 -10.743 4.547 1.00 9.85 C ATOM 192 C THR A 12 -2.102 -10.886 3.047 1.00 11.66 C ATOM 193 O THR A 12 -2.467 -11.883 2.430 1.00 12.33 O ATOM 194 CB THR A 12 -0.954 -11.510 5.069 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.979 -11.592 6.487 1.00 10.91 O ATOM 196 CG2 THR A 12 0.373 -10.830 4.742 1.00 9.63 C ATOM 0 H THR A 12 -3.688 -12.056 4.689 1.00 9.63 H new ATOM 0 HA THR A 12 -1.953 -9.741 4.947 1.00 9.85 H new ATOM 0 HB THR A 12 -1.032 -12.491 4.601 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.205 -12.105 6.799 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.195 -11.424 5.142 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.481 -10.743 3.661 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.393 -9.836 5.189 1.00 9.63 H new ATOM 204 N ILE A 13 -1.751 -9.777 2.340 1.00 10.42 N ATOM 205 CA ILE A 13 -1.614 -9.857 0.886 1.00 11.84 C ATOM 206 C ILE A 13 -0.101 -9.740 0.641 1.00 10.55 C ATOM 207 O ILE A 13 0.535 -8.832 1.166 1.00 11.92 O ATOM 208 CB ILE A 13 -2.204 -8.721 0.058 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.608 -8.285 0.516 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.221 -9.074 -1.414 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.106 -7.116 -0.247 1.00 16.46 C ATOM 0 H ILE A 13 -1.567 -8.859 2.746 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.136 -10.765 0.584 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.546 -7.867 0.220 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.302 -9.117 0.397 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.583 -8.040 1.578 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.647 -8.247 -1.982 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.203 -9.262 -1.755 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.826 -9.968 -1.567 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.099 -6.844 0.111 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.427 -6.274 -0.107 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.158 -7.368 -1.306 1.00 16.46 H new ATOM 223 N THR A 14 0.521 -10.674 -0.117 1.00 9.39 N ATOM 224 CA THR A 14 1.985 -10.689 -0.361 1.00 9.63 C ATOM 225 C THR A 14 2.211 -10.181 -1.808 1.00 11.20 C ATOM 226 O THR A 14 1.728 -10.748 -2.783 1.00 11.63 O ATOM 227 CB THR A 14 2.603 -12.068 -0.205 1.00 10.38 C ATOM 228 OG1 THR A 14 2.357 -12.705 1.047 1.00 16.30 O ATOM 229 CG2 THR A 14 4.151 -11.943 -0.262 1.00 11.66 C ATOM 0 H THR A 14 0.024 -11.437 -0.576 1.00 9.39 H new ATOM 0 HA THR A 14 2.468 -10.054 0.381 1.00 9.63 H new ATOM 0 HB THR A 14 2.151 -12.655 -1.005 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.789 -13.584 1.057 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.600 -12.930 -0.151 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.447 -11.516 -1.220 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.494 -11.295 0.545 1.00 11.66 H new ATOM 237 N LEU A 15 2.932 -9.072 -1.960 1.00 8.29 N ATOM 238 CA LEU A 15 3.180 -8.443 -3.247 1.00 9.03 C ATOM 239 C LEU A 15 4.675 -8.436 -3.498 1.00 8.59 C ATOM 240 O LEU A 15 5.489 -8.314 -2.606 1.00 7.79 O ATOM 241 CB LEU A 15 2.793 -6.948 -3.179 1.00 11.08 C ATOM 242 CG LEU A 15 1.316 -6.608 -2.798 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.079 -5.128 -2.705 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.324 -7.268 -3.729 1.00 15.27 C ATOM 0 H LEU A 15 3.365 -8.581 -1.178 1.00 8.29 H new ATOM 0 HA LEU A 15 2.616 -8.981 -4.009 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.448 -6.462 -2.456 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.003 -6.500 -4.151 1.00 11.08 H new ATOM 0 HG LEU A 15 1.152 -7.022 -1.803 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.039 -4.942 -2.438 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.731 -4.702 -1.942 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.295 -4.664 -3.667 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.690 -7.004 -3.427 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.499 -6.926 -4.749 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.446 -8.350 -3.683 1.00 15.27 H new ATOM 256 N GLU A 16 5.010 -8.385 -4.768 1.00 11.04 N ATOM 257 CA GLU A 16 6.341 -8.248 -5.273 1.00 11.50 C ATOM 258 C GLU A 16 6.560 -6.865 -5.894 1.00 10.13 C ATOM 259 O GLU A 16 5.695 -6.450 -6.669 1.00 9.83 O ATOM 260 CB GLU A 16 6.562 -9.340 -6.351 1.00 17.22 C ATOM 261 CG GLU A 16 7.846 -9.203 -7.183 1.00 23.33 C ATOM 262 CD GLU A 16 9.060 -9.387 -6.306 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.131 -10.379 -5.561 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.999 -8.578 -6.378 1.00 28.90 O ATOM 0 H GLU A 16 4.314 -8.442 -5.512 1.00 11.04 H new ATOM 0 HA GLU A 16 7.049 -8.361 -4.452 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.571 -10.313 -5.860 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.709 -9.333 -7.029 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.850 -9.944 -7.982 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.877 -8.222 -7.658 1.00 23.33 H new ATOM 271 N VAL A 17 7.564 -6.113 -5.471 1.00 8.99 N ATOM 272 CA VAL A 17 7.636 -4.661 -5.781 1.00 8.85 C ATOM 273 C VAL A 17 9.107 -4.268 -5.962 1.00 8.04 C ATOM 274 O VAL A 17 10.027 -5.030 -5.558 1.00 8.99 O ATOM 275 CB VAL A 17 7.017 -3.786 -4.704 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.479 -3.908 -4.711 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.595 -4.208 -3.362 1.00 10.54 C ATOM 0 H VAL A 17 8.344 -6.464 -4.915 1.00 8.99 H new ATOM 0 HA VAL A 17 7.062 -4.496 -6.693 1.00 8.85 H new ATOM 0 HB VAL A 17 7.252 -2.739 -4.894 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.060 -3.272 -3.931 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.094 -3.594 -5.681 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.195 -4.944 -4.526 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.165 -3.593 -2.571 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.358 -5.256 -3.177 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.677 -4.078 -3.375 1.00 10.54 H new ATOM 287 N GLU A 18 9.421 -3.126 -6.559 1.00 7.29 N ATOM 288 CA GLU A 18 10.696 -2.507 -6.607 1.00 7.08 C ATOM 289 C GLU A 18 10.718 -1.374 -5.597 1.00 6.45 C ATOM 290 O GLU A 18 9.626 -0.944 -5.218 1.00 5.28 O ATOM 291 CB GLU A 18 10.941 -2.033 -8.083 1.00 10.28 C ATOM 292 CG GLU A 18 11.070 -3.228 -9.139 1.00 12.65 C ATOM 293 CD GLU A 18 12.283 -4.072 -8.740 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.408 -3.642 -9.092 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.070 -5.214 -8.308 1.00 18.17 O ATOM 0 H GLU A 18 8.717 -2.581 -7.057 1.00 7.29 H new ATOM 0 HA GLU A 18 11.505 -3.187 -6.339 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.121 -1.382 -8.385 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.851 -1.434 -8.115 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.165 -3.836 -9.141 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.193 -2.835 -10.148 1.00 12.65 H new ATOM 302 N PRO A 19 11.765 -0.824 -5.069 1.00 7.24 N ATOM 303 CA PRO A 19 11.761 0.376 -4.224 1.00 7.07 C ATOM 304 C PRO A 19 11.234 1.682 -4.818 1.00 6.65 C ATOM 305 O PRO A 19 10.787 2.570 -4.145 1.00 6.37 O ATOM 306 CB PRO A 19 13.275 0.539 -3.961 1.00 7.61 C ATOM 307 CG PRO A 19 13.880 -0.851 -4.103 1.00 8.16 C ATOM 308 CD PRO A 19 13.107 -1.422 -5.231 1.00 7.49 C ATOM 0 HA PRO A 19 11.085 0.225 -3.382 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.722 1.233 -4.673 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.456 0.943 -2.965 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.947 -0.809 -4.322 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.764 -1.439 -3.193 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.549 -1.161 -6.193 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.070 -2.510 -5.182 1.00 7.49 H new ATOM 316 N SER A 20 11.431 1.742 -6.156 1.00 6.80 N ATOM 317 CA SER A 20 10.908 2.775 -7.111 1.00 6.28 C ATOM 318 C SER A 20 9.354 2.775 -7.293 1.00 8.45 C ATOM 319 O SER A 20 8.842 3.850 -7.672 1.00 7.26 O ATOM 320 CB SER A 20 11.562 2.522 -8.462 1.00 8.57 C ATOM 321 OG SER A 20 11.303 1.174 -8.899 1.00 11.13 O ATOM 0 H SER A 20 11.989 1.036 -6.636 1.00 6.80 H new ATOM 0 HA SER A 20 11.154 3.751 -6.691 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.179 3.230 -9.197 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.637 2.688 -8.390 1.00 8.57 H new ATOM 0 HG SER A 20 11.728 1.025 -9.770 1.00 11.13 H new ATOM 327 N ASP A 21 8.619 1.641 -7.073 1.00 7.50 N ATOM 328 CA ASP A 21 7.190 1.652 -7.071 1.00 7.70 C ATOM 329 C ASP A 21 6.494 2.696 -6.172 1.00 7.08 C ATOM 330 O ASP A 21 6.805 2.840 -5.025 1.00 8.11 O ATOM 331 CB ASP A 21 6.490 0.290 -6.988 1.00 11.00 C ATOM 332 CG ASP A 21 6.885 -0.621 -8.113 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.909 -0.249 -9.313 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.315 -1.719 -7.689 1.00 14.36 O ATOM 0 H ASP A 21 9.031 0.724 -6.898 1.00 7.50 H new ATOM 0 HA ASP A 21 7.041 2.005 -8.092 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.733 -0.184 -6.037 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.410 0.437 -7.004 1.00 11.00 H new ATOM 339 N THR A 22 5.475 3.335 -6.716 1.00 5.37 N ATOM 340 CA THR A 22 4.769 4.298 -5.976 1.00 6.01 C ATOM 341 C THR A 22 3.700 3.605 -5.178 1.00 8.01 C ATOM 342 O THR A 22 3.443 2.444 -5.399 1.00 8.11 O ATOM 343 CB THR A 22 4.127 5.451 -6.772 1.00 8.92 C ATOM 344 OG1 THR A 22 3.227 4.976 -7.806 1.00 10.22 O ATOM 345 CG2 THR A 22 5.185 6.388 -7.302 1.00 9.65 C ATOM 0 H THR A 22 5.138 3.187 -7.667 1.00 5.37 H new ATOM 0 HA THR A 22 5.525 4.780 -5.356 1.00 6.01 H new ATOM 0 HB THR A 22 3.503 6.022 -6.085 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.843 5.741 -8.283 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.710 7.194 -7.861 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.750 6.807 -6.469 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.860 5.840 -7.959 1.00 9.65 H new ATOM 353 N ILE A 23 3.157 4.295 -4.240 1.00 8.32 N ATOM 354 CA ILE A 23 2.070 3.837 -3.404 1.00 9.92 C ATOM 355 C ILE A 23 0.796 3.566 -4.227 1.00 10.01 C ATOM 356 O ILE A 23 0.148 2.516 -4.063 1.00 8.71 O ATOM 357 CB ILE A 23 1.755 4.828 -2.254 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.053 5.255 -1.526 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.824 4.133 -1.255 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.917 4.148 -1.027 1.00 12.30 C ATOM 0 H ILE A 23 3.462 5.241 -4.012 1.00 8.32 H new ATOM 0 HA ILE A 23 2.404 2.900 -2.959 1.00 9.92 H new ATOM 0 HB ILE A 23 1.282 5.718 -2.669 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.642 5.870 -2.206 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.781 5.886 -0.680 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.592 4.816 -0.438 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.098 3.842 -1.758 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.315 3.245 -0.857 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.796 4.566 -0.536 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.357 3.542 -0.315 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.231 3.526 -1.865 1.00 12.30 H new ATOM 372 N GLU A 24 0.505 4.361 -5.262 1.00 9.54 N ATOM 373 CA GLU A 24 -0.519 4.224 -6.302 1.00 11.81 C ATOM 374 C GLU A 24 -0.371 2.983 -7.174 1.00 11.14 C ATOM 375 O GLU A 24 -1.321 2.339 -7.578 1.00 10.62 O ATOM 376 CB GLU A 24 -0.345 5.403 -7.342 1.00 19.24 C ATOM 377 CG GLU A 24 -1.482 5.607 -8.361 1.00 27.76 C ATOM 378 CD GLU A 24 -1.286 6.750 -9.296 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.540 6.643 -10.298 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.997 7.820 -9.162 1.00 34.80 O ATOM 0 H GLU A 24 1.044 5.214 -5.407 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.464 4.198 -5.759 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.218 6.331 -6.785 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.579 5.234 -7.894 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.596 4.694 -8.945 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.415 5.756 -7.818 1.00 27.76 H new ATOM 387 N ASN A 25 0.888 2.635 -7.518 1.00 9.43 N ATOM 388 CA ASN A 25 1.180 1.340 -8.111 1.00 10.96 C ATOM 389 C ASN A 25 0.950 0.180 -7.153 1.00 9.68 C ATOM 390 O ASN A 25 0.339 -0.825 -7.522 1.00 9.33 O ATOM 391 CB ASN A 25 2.717 1.258 -8.453 1.00 16.78 C ATOM 392 CG ASN A 25 3.251 2.361 -9.346 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.459 2.651 -9.280 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.402 2.907 -10.200 1.00 24.70 N ATOM 0 H ASN A 25 1.702 3.236 -7.391 1.00 9.43 H new ATOM 0 HA ASN A 25 0.523 1.259 -8.977 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.279 1.267 -7.519 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.913 0.300 -8.934 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.726 3.614 -10.860 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.423 2.621 -10.199 1.00 24.70 H new ATOM 401 N VAL A 26 1.412 0.258 -5.858 1.00 6.52 N ATOM 402 CA VAL A 26 1.110 -0.737 -4.794 1.00 5.53 C ATOM 403 C VAL A 26 -0.387 -1.076 -4.625 1.00 4.42 C ATOM 404 O VAL A 26 -0.862 -2.192 -4.540 1.00 3.40 O ATOM 405 CB VAL A 26 1.771 -0.499 -3.443 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.439 -1.639 -2.489 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.275 -0.440 -3.644 1.00 8.12 C ATOM 0 H VAL A 26 2.006 1.021 -5.534 1.00 6.52 H new ATOM 0 HA VAL A 26 1.596 -1.622 -5.205 1.00 5.53 H new ATOM 0 HB VAL A 26 1.406 0.436 -3.018 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.917 -1.458 -1.526 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.359 -1.697 -2.353 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.803 -2.579 -2.904 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.764 -0.270 -2.685 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.623 -1.383 -4.066 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.519 0.375 -4.325 1.00 8.12 H new ATOM 417 N LYS A 27 -1.195 -0.014 -4.632 1.00 2.64 N ATOM 418 CA LYS A 27 -2.633 -0.196 -4.687 1.00 4.14 C ATOM 419 C LYS A 27 -3.144 -0.852 -5.960 1.00 5.58 C ATOM 420 O LYS A 27 -4.162 -1.497 -5.920 1.00 4.11 O ATOM 421 CB LYS A 27 -3.349 1.284 -4.741 1.00 3.97 C ATOM 422 CG LYS A 27 -3.028 2.267 -3.514 1.00 7.45 C ATOM 423 CD LYS A 27 -3.777 3.585 -3.604 1.00 9.02 C ATOM 424 CE LYS A 27 -3.203 4.668 -2.733 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.967 5.948 -2.602 1.00 15.47 N ATOM 0 H LYS A 27 -0.881 0.956 -4.601 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.862 -0.815 -3.820 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.047 1.778 -5.665 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.428 1.142 -4.794 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.287 1.770 -2.579 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.957 2.465 -3.484 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.774 3.924 -4.640 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.818 3.421 -3.326 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.070 4.256 -1.733 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.210 4.910 -3.113 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.385 6.650 -2.102 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.206 6.308 -3.548 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.841 5.777 -2.065 1.00 15.47 H new ATOM 439 N ALA A 28 -2.458 -0.745 -7.133 1.00 6.61 N ATOM 440 CA ALA A 28 -2.978 -1.306 -8.334 1.00 7.74 C ATOM 441 C ALA A 28 -2.688 -2.760 -8.367 1.00 9.17 C ATOM 442 O ALA A 28 -3.497 -3.601 -8.667 1.00 11.45 O ATOM 443 CB ALA A 28 -2.279 -0.724 -9.547 1.00 7.68 C ATOM 0 H ALA A 28 -1.559 -0.275 -7.234 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.047 -1.094 -8.356 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.693 -1.167 -10.453 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.429 0.355 -9.570 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.212 -0.941 -9.491 1.00 7.68 H new ATOM 449 N LYS A 29 -1.498 -3.107 -7.850 1.00 8.96 N ATOM 450 CA LYS A 29 -1.299 -4.522 -7.502 1.00 7.90 C ATOM 451 C LYS A 29 -2.347 -5.224 -6.619 1.00 6.92 C ATOM 452 O LYS A 29 -2.815 -6.356 -6.901 1.00 6.87 O ATOM 453 CB LYS A 29 0.022 -4.684 -6.809 1.00 10.28 C ATOM 454 CG LYS A 29 1.122 -4.264 -7.855 1.00 14.94 C ATOM 455 CD LYS A 29 2.502 -4.153 -7.224 1.00 19.69 C ATOM 456 CE LYS A 29 3.461 -3.334 -8.123 1.00 22.63 C ATOM 457 NZ LYS A 29 4.094 -4.129 -9.202 1.00 24.98 N ATOM 0 H LYS A 29 -0.713 -2.481 -7.674 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.377 -5.007 -8.475 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.073 -4.058 -5.918 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.167 -5.714 -6.484 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.151 -4.996 -8.663 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.850 -3.307 -8.301 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.421 -3.679 -6.246 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.913 -5.150 -7.062 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.908 -2.508 -8.570 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.242 -2.896 -7.501 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.721 -3.517 -9.762 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.649 -4.903 -8.783 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.357 -4.526 -9.819 1.00 24.98 H new ATOM 471 N ILE A 30 -2.804 -4.533 -5.536 1.00 4.57 N ATOM 472 CA ILE A 30 -3.917 -4.966 -4.773 1.00 5.58 C ATOM 473 C ILE A 30 -5.241 -5.012 -5.476 1.00 7.26 C ATOM 474 O ILE A 30 -5.989 -5.948 -5.264 1.00 9.46 O ATOM 475 CB ILE A 30 -3.931 -4.089 -3.542 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.766 -4.251 -2.617 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.258 -4.135 -2.699 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.503 -3.049 -1.623 1.00 2.00 C ATOM 0 H ILE A 30 -2.383 -3.666 -5.202 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.785 -6.022 -4.535 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.854 -3.106 -4.007 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.916 -5.157 -2.030 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.869 -4.405 -3.217 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.166 -3.472 -1.839 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.094 -3.811 -3.319 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.435 -5.154 -2.355 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.636 -3.274 -1.001 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.314 -2.140 -2.194 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.377 -2.904 -0.988 1.00 2.00 H new ATOM 490 N GLN A 31 -5.467 -4.144 -6.434 1.00 7.06 N ATOM 491 CA GLN A 31 -6.596 -4.091 -7.318 1.00 8.67 C ATOM 492 C GLN A 31 -6.631 -5.300 -8.263 1.00 10.90 C ATOM 493 O GLN A 31 -7.651 -5.937 -8.486 1.00 9.63 O ATOM 494 CB GLN A 31 -6.724 -2.772 -8.187 1.00 9.12 C ATOM 495 CG GLN A 31 -8.013 -2.695 -9.072 1.00 10.76 C ATOM 496 CD GLN A 31 -7.908 -1.433 -9.908 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.828 -0.607 -10.079 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.798 -1.297 -10.666 1.00 14.76 N ATOM 0 H GLN A 31 -4.804 -3.393 -6.627 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.446 -4.101 -6.636 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.706 -1.910 -7.520 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.850 -2.693 -8.834 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.094 -3.574 -9.711 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.907 -2.670 -8.449 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.023 -1.951 -10.557 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.735 -0.540 -11.347 1.00 14.76 H new ATOM 507 N ASP A 32 -5.506 -5.632 -8.835 1.00 10.93 N ATOM 508 CA ASP A 32 -5.223 -6.777 -9.706 1.00 14.01 C ATOM 509 C ASP A 32 -5.516 -8.106 -9.007 1.00 14.04 C ATOM 510 O ASP A 32 -6.069 -9.036 -9.640 1.00 13.39 O ATOM 511 CB ASP A 32 -3.782 -6.694 -10.168 1.00 18.01 C ATOM 512 CG ASP A 32 -3.435 -7.392 -11.472 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.146 -7.213 -12.470 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.356 -8.095 -11.581 1.00 25.17 O ATOM 0 H ASP A 32 -4.672 -5.061 -8.699 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.882 -6.739 -10.574 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.518 -5.641 -10.267 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.150 -7.109 -9.383 1.00 18.01 H new ATOM 519 N LYS A 33 -5.179 -8.268 -7.676 1.00 14.22 N ATOM 520 CA LYS A 33 -5.425 -9.481 -6.875 1.00 14.00 C ATOM 521 C LYS A 33 -6.795 -9.505 -6.276 1.00 12.37 C ATOM 522 O LYS A 33 -7.403 -10.541 -6.404 1.00 12.17 O ATOM 523 CB LYS A 33 -4.372 -9.491 -5.762 1.00 18.62 C ATOM 524 CG LYS A 33 -3.035 -9.917 -6.379 1.00 24.00 C ATOM 525 CD LYS A 33 -1.851 -9.633 -5.506 1.00 27.61 C ATOM 526 CE LYS A 33 -0.486 -10.000 -6.097 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.537 -11.383 -6.477 1.00 30.06 N ATOM 0 H LYS A 33 -4.721 -7.531 -7.141 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.357 -10.360 -7.516 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.286 -8.503 -5.310 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.662 -10.180 -4.969 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.068 -10.985 -6.595 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.904 -9.403 -7.332 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.848 -8.570 -5.264 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.977 -10.173 -4.568 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.261 -9.373 -6.960 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.305 -9.832 -5.367 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.428 -11.734 -6.642 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.981 -11.936 -5.716 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.095 -11.483 -7.349 1.00 30.06 H new ATOM 541 N GLU A 34 -7.228 -8.431 -5.595 1.00 10.11 N ATOM 542 CA GLU A 34 -8.382 -8.552 -4.720 1.00 10.07 C ATOM 543 C GLU A 34 -9.592 -7.778 -5.219 1.00 9.32 C ATOM 544 O GLU A 34 -10.674 -7.873 -4.614 1.00 11.61 O ATOM 545 CB GLU A 34 -7.908 -7.844 -3.391 1.00 14.77 C ATOM 546 CG GLU A 34 -6.778 -8.485 -2.558 1.00 18.75 C ATOM 547 CD GLU A 34 -7.191 -9.854 -2.121 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.410 -10.225 -2.151 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.298 -10.635 -1.701 1.00 25.19 O ATOM 0 H GLU A 34 -6.806 -7.503 -5.636 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.682 -9.596 -4.631 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.591 -6.834 -3.652 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.779 -7.747 -2.743 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.864 -8.541 -3.149 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.558 -7.866 -1.688 1.00 18.75 H new ATOM 556 N GLY A 35 -9.419 -7.035 -6.315 1.00 7.22 N ATOM 557 CA GLY A 35 -10.412 -6.229 -6.958 1.00 6.29 C ATOM 558 C GLY A 35 -10.819 -4.928 -6.258 1.00 6.93 C ATOM 559 O GLY A 35 -11.939 -4.421 -6.454 1.00 7.41 O ATOM 0 H GLY A 35 -8.519 -6.990 -6.792 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.049 -5.977 -7.955 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.307 -6.837 -7.089 1.00 6.29 H new ATOM 563 N ILE A 36 -9.905 -4.243 -5.491 1.00 5.86 N ATOM 564 CA ILE A 36 -10.270 -3.089 -4.730 1.00 6.07 C ATOM 565 C ILE A 36 -9.836 -1.852 -5.478 1.00 6.36 C ATOM 566 O ILE A 36 -8.647 -1.607 -5.561 1.00 6.18 O ATOM 567 CB ILE A 36 -9.513 -3.118 -3.414 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.757 -4.344 -2.541 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.935 -1.852 -2.628 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.002 -4.459 -1.201 1.00 9.49 C ATOM 0 H ILE A 36 -8.922 -4.504 -5.412 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.347 -3.082 -4.563 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.451 -3.155 -3.657 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.824 -4.389 -2.324 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.515 -5.226 -3.134 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.415 -1.828 -1.670 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.676 -0.963 -3.204 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.011 -1.872 -2.456 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.286 -5.386 -0.702 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.928 -4.461 -1.388 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.258 -3.611 -0.565 1.00 9.49 H new ATOM 582 N PRO A 37 -10.651 -1.002 -6.010 1.00 8.65 N ATOM 583 CA PRO A 37 -10.210 0.215 -6.645 1.00 9.18 C ATOM 584 C PRO A 37 -9.133 1.098 -5.904 1.00 9.85 C ATOM 585 O PRO A 37 -9.342 1.284 -4.687 1.00 8.51 O ATOM 586 CB PRO A 37 -11.391 1.095 -6.915 1.00 11.42 C ATOM 587 CG PRO A 37 -12.567 0.051 -7.085 1.00 9.27 C ATOM 588 CD PRO A 37 -12.113 -1.204 -6.236 1.00 8.33 C ATOM 0 HA PRO A 37 -9.706 -0.156 -7.538 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.578 1.786 -6.093 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.251 1.698 -7.812 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.512 0.455 -6.721 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.715 -0.212 -8.132 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.655 -1.260 -5.292 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.306 -2.134 -6.770 1.00 8.33 H new ATOM 596 N PRO A 38 -8.114 1.790 -6.434 1.00 8.71 N ATOM 597 CA PRO A 38 -7.129 2.558 -5.598 1.00 9.08 C ATOM 598 C PRO A 38 -7.873 3.783 -4.964 1.00 9.28 C ATOM 599 O PRO A 38 -7.333 4.174 -3.925 1.00 6.50 O ATOM 600 CB PRO A 38 -6.085 3.026 -6.664 1.00 10.31 C ATOM 601 CG PRO A 38 -6.085 1.870 -7.706 1.00 10.81 C ATOM 602 CD PRO A 38 -7.559 1.498 -7.749 1.00 12.00 C ATOM 0 HA PRO A 38 -6.675 1.999 -4.780 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.372 3.975 -7.117 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.098 3.169 -6.223 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.716 2.195 -8.679 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.460 1.034 -7.391 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.077 2.067 -8.521 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.683 0.443 -7.994 1.00 12.00 H new ATOM 610 N ASP A 39 -9.021 4.322 -5.470 1.00 11.20 N ATOM 611 CA ASP A 39 -9.908 5.339 -4.945 1.00 14.96 C ATOM 612 C ASP A 39 -10.426 4.961 -3.579 1.00 13.99 C ATOM 613 O ASP A 39 -10.847 5.788 -2.779 1.00 13.75 O ATOM 614 CB ASP A 39 -11.106 5.504 -5.865 1.00 24.16 C ATOM 615 CG ASP A 39 -10.781 6.291 -7.169 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.121 7.377 -7.187 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.262 5.795 -8.247 1.00 35.55 O ATOM 0 H ASP A 39 -9.366 3.993 -6.372 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.338 6.266 -4.876 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.489 4.519 -6.130 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.900 6.021 -5.326 1.00 24.16 H new ATOM 622 N GLN A 40 -10.369 3.676 -3.182 1.00 11.60 N ATOM 623 CA GLN A 40 -10.799 3.111 -1.930 1.00 10.76 C ATOM 624 C GLN A 40 -9.690 2.737 -0.910 1.00 8.01 C ATOM 625 O GLN A 40 -10.002 2.201 0.177 1.00 8.96 O ATOM 626 CB GLN A 40 -11.641 1.780 -2.213 1.00 11.14 C ATOM 627 CG GLN A 40 -13.190 2.026 -2.421 1.00 14.85 C ATOM 628 CD GLN A 40 -13.758 0.816 -3.189 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.547 -0.354 -2.858 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.448 1.100 -4.308 1.00 18.16 N ATOM 0 H GLN A 40 -9.984 2.960 -3.798 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.374 3.914 -1.470 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.240 1.291 -3.101 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.502 1.091 -1.380 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.692 2.139 -1.460 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.359 2.947 -2.979 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.616 2.071 -4.571 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.803 0.344 -4.894 1.00 18.16 H new ATOM 639 N GLN A 41 -8.404 3.013 -1.251 1.00 6.52 N ATOM 640 CA GLN A 41 -7.225 2.548 -0.525 1.00 3.87 C ATOM 641 C GLN A 41 -6.295 3.668 -0.059 1.00 4.79 C ATOM 642 O GLN A 41 -5.732 4.408 -0.897 1.00 6.34 O ATOM 643 CB GLN A 41 -6.284 1.679 -1.410 1.00 4.20 C ATOM 644 CG GLN A 41 -6.961 0.364 -2.002 1.00 3.20 C ATOM 645 CD GLN A 41 -5.871 -0.363 -2.800 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.779 -0.537 -2.264 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.115 -0.796 -4.052 1.00 7.13 N ATOM 0 H GLN A 41 -8.168 3.582 -2.064 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.670 2.007 0.310 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.919 2.288 -2.237 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.415 1.390 -0.819 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.344 -0.269 -1.202 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.807 0.617 -2.641 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.029 -0.640 -4.476 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.385 -1.280 -4.576 1.00 7.13 H new ATOM 656 N ARG A 42 -6.142 3.781 1.289 1.00 5.73 N ATOM 657 CA ARG A 42 -5.166 4.478 2.047 1.00 6.97 C ATOM 658 C ARG A 42 -4.183 3.586 2.759 1.00 7.15 C ATOM 659 O ARG A 42 -4.576 2.523 3.144 1.00 7.33 O ATOM 660 CB ARG A 42 -5.774 5.432 3.045 1.00 13.23 C ATOM 661 CG ARG A 42 -6.604 6.552 2.386 1.00 21.27 C ATOM 662 CD ARG A 42 -7.015 7.615 3.413 1.00 26.14 C ATOM 663 NE ARG A 42 -8.060 8.499 2.835 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.671 9.458 3.518 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.833 9.417 4.819 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.253 10.488 2.848 1.00 36.39 N ATOM 0 H ARG A 42 -6.802 3.313 1.909 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.616 5.044 1.295 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.410 4.873 3.731 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.979 5.880 3.641 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.024 7.017 1.589 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.494 6.125 1.924 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.392 7.134 4.316 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.147 8.206 3.705 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.322 8.361 1.859 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.482 8.621 5.352 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.310 10.181 5.298 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.217 10.519 1.829 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.725 11.230 3.364 1.00 36.39 H new ATOM 680 N LEU A 43 -2.932 4.024 2.967 1.00 4.65 N ATOM 681 CA LEU A 43 -1.867 3.221 3.429 1.00 3.51 C ATOM 682 C LEU A 43 -1.086 3.977 4.540 1.00 5.56 C ATOM 683 O LEU A 43 -0.775 5.173 4.399 1.00 4.19 O ATOM 684 CB LEU A 43 -0.918 2.775 2.229 1.00 3.74 C ATOM 685 CG LEU A 43 -1.362 1.580 1.417 1.00 6.32 C ATOM 686 CD1 LEU A 43 -2.122 2.049 0.223 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.120 0.757 0.976 1.00 6.41 C ATOM 0 H LEU A 43 -2.658 4.992 2.801 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.272 2.306 3.860 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.805 3.622 1.553 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.069 2.560 2.638 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.007 0.943 2.022 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -2.443 1.189 -0.365 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -2.996 2.614 0.547 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.483 2.687 -0.387 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -0.443 -0.104 0.391 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.535 1.383 0.370 1.00 6.41 H new ATOM 0 HD23 LEU A 43 0.421 0.414 1.858 1.00 6.41 H new ATOM 699 N ILE A 44 -0.796 3.200 5.609 1.00 4.58 N ATOM 700 CA ILE A 44 -0.035 3.720 6.799 1.00 5.55 C ATOM 701 C ILE A 44 1.235 2.947 6.982 1.00 5.46 C ATOM 702 O ILE A 44 1.230 1.745 6.867 1.00 6.04 O ATOM 703 CB ILE A 44 -0.822 3.611 8.142 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.247 4.183 8.089 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.043 4.273 9.295 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.235 5.737 7.904 1.00 13.90 C ATOM 0 H ILE A 44 -1.068 2.220 5.685 1.00 4.58 H new ATOM 0 HA ILE A 44 0.148 4.772 6.582 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.973 2.552 8.349 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.795 3.722 7.267 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.777 3.929 9.007 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.496 4.204 10.240 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.995 3.750 9.381 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.225 5.321 9.057 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.260 6.107 7.871 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.709 6.199 8.740 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.728 5.989 6.973 1.00 13.90 H new ATOM 718 N PHE A 45 2.375 3.610 7.251 1.00 6.75 N ATOM 719 CA PHE A 45 3.603 2.955 7.691 1.00 4.70 C ATOM 720 C PHE A 45 4.519 3.871 8.554 1.00 6.34 C ATOM 721 O PHE A 45 4.761 5.028 8.218 1.00 5.45 O ATOM 722 CB PHE A 45 4.322 2.471 6.392 1.00 5.51 C ATOM 723 CG PHE A 45 5.550 1.753 6.758 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.567 0.309 7.002 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.700 2.463 6.759 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.778 -0.359 7.199 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.923 1.775 6.941 1.00 6.64 C ATOM 728 CZ PHE A 45 7.979 0.389 7.123 1.00 6.84 C ATOM 0 H PHE A 45 2.462 4.623 7.166 1.00 6.75 H new ATOM 0 HA PHE A 45 3.365 2.123 8.353 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.663 1.819 5.819 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.561 3.323 5.755 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.639 -0.242 7.030 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.686 3.534 6.624 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.798 -1.419 7.404 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.844 2.339 6.939 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.934 -0.109 7.205 1.00 6.84 H new ATOM 738 N ALA A 46 5.037 3.404 9.692 1.00 6.53 N ATOM 739 CA ALA A 46 6.027 4.132 10.558 1.00 7.15 C ATOM 740 C ALA A 46 5.444 5.267 11.389 1.00 9.00 C ATOM 741 O ALA A 46 6.017 6.332 11.626 1.00 11.15 O ATOM 742 CB ALA A 46 7.211 4.611 9.803 1.00 8.99 C ATOM 0 H ALA A 46 4.787 2.488 10.065 1.00 6.53 H new ATOM 0 HA ALA A 46 6.346 3.366 11.265 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.890 5.129 10.481 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.725 3.761 9.354 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.890 5.296 9.018 1.00 8.99 H new ATOM 748 N GLY A 47 4.139 5.095 11.659 1.00 9.35 N ATOM 749 CA GLY A 47 3.184 5.951 12.359 1.00 11.68 C ATOM 750 C GLY A 47 2.645 7.013 11.440 1.00 11.14 C ATOM 751 O GLY A 47 1.769 7.755 11.846 1.00 13.93 O ATOM 0 H GLY A 47 3.677 4.240 11.348 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.363 5.347 12.745 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.668 6.418 13.217 1.00 11.68 H new ATOM 755 N LYS A 48 3.062 6.962 10.162 1.00 10.47 N ATOM 756 CA LYS A 48 2.814 7.918 9.134 1.00 8.82 C ATOM 757 C LYS A 48 1.968 7.446 7.985 1.00 7.68 C ATOM 758 O LYS A 48 2.216 6.372 7.377 1.00 6.47 O ATOM 759 CB LYS A 48 4.197 8.429 8.589 1.00 9.74 C ATOM 760 CG LYS A 48 4.178 9.653 7.650 1.00 14.14 C ATOM 761 CD LYS A 48 5.496 9.942 6.956 1.00 16.32 C ATOM 762 CE LYS A 48 6.494 10.491 7.926 1.00 20.04 C ATOM 763 NZ LYS A 48 7.797 10.582 7.241 1.00 23.92 N ATOM 0 H LYS A 48 3.622 6.180 9.823 1.00 10.47 H new ATOM 0 HA LYS A 48 2.226 8.708 9.601 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.829 8.669 9.444 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.676 7.605 8.060 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.410 9.500 6.892 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.887 10.531 8.226 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.884 9.028 6.505 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.338 10.655 6.146 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.181 11.473 8.280 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.568 9.846 8.801 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.508 10.962 7.897 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.089 9.636 6.924 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.713 11.212 6.418 1.00 23.92 H new ATOM 777 N GLN A 49 0.921 8.205 7.639 1.00 8.89 N ATOM 778 CA GLN A 49 0.146 8.015 6.364 1.00 7.18 C ATOM 779 C GLN A 49 0.777 8.357 5.037 1.00 8.23 C ATOM 780 O GLN A 49 1.313 9.445 4.799 1.00 9.70 O ATOM 781 CB GLN A 49 -1.208 8.784 6.443 1.00 11.67 C ATOM 782 CG GLN A 49 -2.198 8.352 5.373 1.00 15.82 C ATOM 783 CD GLN A 49 -3.612 8.843 5.670 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.225 8.435 6.682 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.098 9.890 4.950 1.00 20.67 N ATOM 0 H GLN A 49 0.573 8.969 8.218 1.00 8.89 H new ATOM 0 HA GLN A 49 0.062 6.928 6.340 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.652 8.627 7.426 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.019 9.853 6.345 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.877 8.737 4.405 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.200 7.265 5.299 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.595 10.219 4.126 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.965 10.346 5.234 1.00 20.67 H new ATOM 794 N LEU A 50 0.755 7.380 4.092 1.00 6.51 N ATOM 795 CA LEU A 50 1.572 7.440 2.865 1.00 7.41 C ATOM 796 C LEU A 50 0.882 8.186 1.770 1.00 8.27 C ATOM 797 O LEU A 50 -0.289 8.079 1.544 1.00 8.34 O ATOM 798 CB LEU A 50 2.141 6.143 2.408 1.00 7.13 C ATOM 799 CG LEU A 50 2.853 5.234 3.472 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.348 3.876 2.830 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.957 5.907 4.241 1.00 9.11 C ATOM 0 H LEU A 50 0.177 6.543 4.163 1.00 6.51 H new ATOM 0 HA LEU A 50 2.452 8.014 3.155 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.334 5.563 1.961 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.859 6.354 1.615 1.00 7.13 H new ATOM 0 HG LEU A 50 2.084 5.017 4.214 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.836 3.270 3.593 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.494 3.332 2.426 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.055 4.089 2.028 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.388 5.201 4.951 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.729 6.244 3.549 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.554 6.764 4.780 1.00 9.11 H new ATOM 813 N GLU A 51 1.637 8.990 0.973 1.00 9.43 N ATOM 814 CA GLU A 51 1.086 9.782 -0.074 1.00 11.90 C ATOM 815 C GLU A 51 1.302 9.190 -1.411 1.00 11.49 C ATOM 816 O GLU A 51 2.371 8.709 -1.788 1.00 9.88 O ATOM 817 CB GLU A 51 1.601 11.248 0.019 1.00 16.56 C ATOM 818 CG GLU A 51 1.041 12.036 1.203 1.00 26.06 C ATOM 819 CD GLU A 51 1.524 13.454 1.247 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.676 13.696 1.679 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.734 14.368 0.784 1.00 33.44 O ATOM 0 H GLU A 51 2.648 9.082 1.069 1.00 9.43 H new ATOM 0 HA GLU A 51 0.005 9.801 0.063 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.689 11.235 0.088 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.346 11.770 -0.903 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.048 12.031 1.153 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.320 11.535 2.130 1.00 26.06 H new ATOM 828 N ASP A 52 0.269 9.169 -2.203 1.00 12.71 N ATOM 829 CA ASP A 52 0.117 8.275 -3.342 1.00 16.56 C ATOM 830 C ASP A 52 1.107 8.186 -4.473 1.00 15.83 C ATOM 831 O ASP A 52 1.501 7.151 -5.033 1.00 17.21 O ATOM 832 CB ASP A 52 -1.363 8.490 -3.900 1.00 21.05 C ATOM 833 CG ASP A 52 -2.403 8.813 -2.810 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.570 8.007 -1.877 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.009 9.922 -2.842 1.00 28.37 O ATOM 0 H ASP A 52 -0.528 9.794 -2.078 1.00 12.71 H new ATOM 0 HA ASP A 52 0.349 7.308 -2.896 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.351 9.301 -4.628 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.675 7.590 -4.430 1.00 21.05 H new ATOM 840 N GLY A 53 1.618 9.381 -4.819 1.00 15.00 N ATOM 841 CA GLY A 53 2.635 9.557 -5.859 1.00 11.77 C ATOM 842 C GLY A 53 4.110 9.415 -5.339 1.00 11.10 C ATOM 843 O GLY A 53 5.068 9.754 -5.971 1.00 11.25 O ATOM 0 H GLY A 53 1.331 10.255 -4.379 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.466 8.823 -6.647 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.513 10.542 -6.310 1.00 11.77 H new ATOM 847 N ARG A 54 4.302 9.082 -4.038 1.00 8.53 N ATOM 848 CA ARG A 54 5.659 8.924 -3.476 1.00 9.05 C ATOM 849 C ARG A 54 6.042 7.479 -3.654 1.00 8.96 C ATOM 850 O ARG A 54 5.203 6.642 -3.954 1.00 11.60 O ATOM 851 CB ARG A 54 5.653 9.392 -1.985 1.00 7.97 C ATOM 852 CG ARG A 54 5.412 10.859 -1.656 1.00 9.62 C ATOM 853 CD ARG A 54 6.658 11.669 -1.944 1.00 12.20 C ATOM 854 NE ARG A 54 6.311 13.114 -1.677 1.00 18.23 N ATOM 855 CZ ARG A 54 7.190 14.101 -1.692 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.519 13.967 -1.690 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.699 15.307 -1.371 1.00 23.38 N ATOM 0 H ARG A 54 3.547 8.921 -3.372 1.00 8.53 H new ATOM 0 HA ARG A 54 6.402 9.540 -3.983 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.891 8.812 -1.465 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.615 9.115 -1.553 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.578 11.239 -2.245 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.135 10.964 -0.607 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.484 11.346 -1.310 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.977 11.533 -2.977 1.00 12.20 H new ATOM 0 HE ARG A 54 5.338 13.343 -1.472 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.938 13.037 -1.676 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.115 14.795 -1.703 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.711 15.410 -1.138 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.313 16.121 -1.359 1.00 23.38 H new ATOM 871 N THR A 55 7.327 7.146 -3.556 1.00 9.05 N ATOM 872 CA THR A 55 7.801 5.776 -3.729 1.00 9.03 C ATOM 873 C THR A 55 8.037 5.063 -2.388 1.00 8.15 C ATOM 874 O THR A 55 8.280 5.701 -1.359 1.00 5.91 O ATOM 875 CB THR A 55 9.069 5.621 -4.570 1.00 11.15 C ATOM 876 OG1 THR A 55 10.151 6.151 -3.945 1.00 11.95 O ATOM 877 CG2 THR A 55 8.916 6.330 -5.911 1.00 11.71 C ATOM 0 H THR A 55 8.068 7.818 -3.355 1.00 9.05 H new ATOM 0 HA THR A 55 6.982 5.312 -4.278 1.00 9.03 H new ATOM 0 HB THR A 55 9.217 4.551 -4.716 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.093 7.129 -3.963 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.829 6.207 -6.494 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.077 5.899 -6.457 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.733 7.391 -5.743 1.00 11.71 H new ATOM 885 N LEU A 56 8.083 3.693 -2.362 1.00 6.91 N ATOM 886 CA LEU A 56 8.505 2.922 -1.180 1.00 8.29 C ATOM 887 C LEU A 56 9.871 3.288 -0.654 1.00 8.05 C ATOM 888 O LEU A 56 10.157 3.268 0.530 1.00 10.17 O ATOM 889 CB LEU A 56 8.434 1.427 -1.499 1.00 6.60 C ATOM 890 CG LEU A 56 7.074 0.862 -1.859 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.244 -0.519 -2.426 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.285 0.859 -0.526 1.00 8.64 C ATOM 0 H LEU A 56 7.828 3.111 -3.160 1.00 6.91 H new ATOM 0 HA LEU A 56 7.812 3.177 -0.378 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.114 1.225 -2.326 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.811 0.879 -0.636 1.00 6.60 H new ATOM 0 HG LEU A 56 6.546 1.440 -2.618 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.268 -0.928 -2.686 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.867 -0.471 -3.319 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.721 -1.160 -1.685 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.284 0.463 -0.697 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.803 0.235 0.202 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.212 1.877 -0.144 1.00 8.64 H new ATOM 904 N SER A 57 10.839 3.602 -1.553 1.00 8.92 N ATOM 905 CA SER A 57 12.184 4.040 -1.247 1.00 9.00 C ATOM 906 C SER A 57 12.205 5.387 -0.454 1.00 9.44 C ATOM 907 O SER A 57 12.966 5.552 0.477 1.00 10.91 O ATOM 908 CB SER A 57 13.107 4.168 -2.453 1.00 10.32 C ATOM 909 OG SER A 57 12.716 5.230 -3.364 1.00 13.59 O ATOM 0 H SER A 57 10.672 3.546 -2.558 1.00 8.92 H new ATOM 0 HA SER A 57 12.573 3.233 -0.626 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.124 4.352 -2.106 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.121 3.222 -2.993 1.00 10.32 H new ATOM 0 HG SER A 57 11.741 5.324 -3.358 1.00 13.59 H new ATOM 915 N ASP A 58 11.183 6.304 -0.585 1.00 9.11 N ATOM 916 CA ASP A 58 11.032 7.617 -0.009 1.00 7.91 C ATOM 917 C ASP A 58 10.514 7.524 1.484 1.00 9.12 C ATOM 918 O ASP A 58 10.553 8.493 2.226 1.00 8.61 O ATOM 919 CB ASP A 58 9.986 8.447 -0.851 1.00 8.41 C ATOM 920 CG ASP A 58 10.427 8.877 -2.211 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.576 9.390 -2.296 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.679 8.702 -3.228 1.00 11.70 O ATOM 0 H ASP A 58 10.377 6.078 -1.168 1.00 9.11 H new ATOM 0 HA ASP A 58 12.006 8.105 -0.020 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.081 7.850 -0.957 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.716 9.336 -0.281 1.00 8.41 H new ATOM 927 N TYR A 59 10.057 6.311 1.884 1.00 7.97 N ATOM 928 CA TYR A 59 9.591 6.080 3.215 1.00 8.45 C ATOM 929 C TYR A 59 10.571 5.124 3.905 1.00 10.98 C ATOM 930 O TYR A 59 10.282 4.609 5.034 1.00 12.95 O ATOM 931 CB TYR A 59 8.161 5.447 3.196 1.00 7.94 C ATOM 932 CG TYR A 59 7.216 6.543 2.807 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.999 7.613 3.692 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.560 6.463 1.564 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.103 8.656 3.292 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.690 7.433 1.212 1.00 6.52 C ATOM 937 CZ TYR A 59 5.466 8.524 2.066 1.00 6.76 C ATOM 938 OH TYR A 59 4.444 9.394 1.597 1.00 7.63 O ATOM 0 H TYR A 59 10.014 5.493 1.277 1.00 7.97 H new ATOM 0 HA TYR A 59 9.535 7.026 3.754 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.111 4.622 2.486 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.903 5.041 4.174 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.496 7.648 4.650 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.751 5.634 0.899 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.929 9.515 3.922 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.165 7.369 0.270 1.00 6.52 H new ATOM 0 HH TYR A 59 4.793 10.308 1.542 1.00 7.63 H new ATOM 948 N ASN A 60 11.678 4.828 3.202 1.00 12.38 N ATOM 949 CA ASN A 60 12.759 3.998 3.622 1.00 13.94 C ATOM 950 C ASN A 60 12.375 2.528 3.790 1.00 14.16 C ATOM 951 O ASN A 60 12.796 1.901 4.725 1.00 14.26 O ATOM 952 CB ASN A 60 13.483 4.576 4.857 1.00 19.23 C ATOM 953 CG ASN A 60 13.884 6.067 4.628 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.387 7.069 5.194 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.856 6.168 3.659 1.00 24.09 N ATOM 0 H ASN A 60 11.826 5.201 2.264 1.00 12.38 H new ATOM 0 HA ASN A 60 13.478 4.005 2.803 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.835 4.501 5.730 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.374 3.985 5.069 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.200 7.085 3.375 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.233 5.325 3.225 1.00 24.09 H new ATOM 962 N ILE A 61 11.523 1.936 2.940 1.00 11.08 N ATOM 963 CA ILE A 61 11.043 0.601 3.113 1.00 11.78 C ATOM 964 C ILE A 61 11.965 -0.361 2.311 1.00 13.74 C ATOM 965 O ILE A 61 12.425 -0.029 1.219 1.00 14.60 O ATOM 966 CB ILE A 61 9.631 0.463 2.540 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.738 1.522 3.231 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.021 -0.878 2.588 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.152 1.485 3.023 1.00 11.42 C ATOM 0 H ILE A 61 11.156 2.398 2.108 1.00 11.08 H new ATOM 0 HA ILE A 61 11.037 0.364 4.177 1.00 11.78 H new ATOM 0 HB ILE A 61 9.716 0.633 1.467 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.927 1.457 4.303 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.086 2.502 2.905 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.023 -0.840 2.152 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.637 -1.578 2.024 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.951 -1.209 3.624 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.693 2.301 3.581 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.921 1.595 1.963 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.760 0.534 3.382 1.00 11.42 H new ATOM 981 N GLN A 62 12.197 -1.516 2.844 1.00 13.97 N ATOM 982 CA GLN A 62 12.939 -2.762 2.399 1.00 15.52 C ATOM 983 C GLN A 62 12.086 -3.998 2.548 1.00 13.94 C ATOM 984 O GLN A 62 10.947 -3.938 2.998 1.00 12.15 O ATOM 985 CB GLN A 62 14.173 -2.990 3.283 1.00 19.53 C ATOM 986 CG GLN A 62 15.072 -1.712 3.340 1.00 26.38 C ATOM 987 CD GLN A 62 16.323 -1.960 4.160 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.629 -3.088 4.522 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.143 -0.830 4.407 1.00 32.71 N ATOM 0 H GLN A 62 11.819 -1.685 3.776 1.00 13.97 H new ATOM 0 HA GLN A 62 13.209 -2.604 1.355 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.857 -3.261 4.290 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.752 -3.828 2.895 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.349 -1.414 2.329 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.508 -0.886 3.773 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.849 0.093 4.087 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.027 -0.940 4.904 1.00 32.71 H new ATOM 998 N LYS A 63 12.624 -5.195 2.124 1.00 11.73 N ATOM 999 CA LYS A 63 12.007 -6.491 2.012 1.00 11.97 C ATOM 1000 C LYS A 63 11.388 -7.062 3.274 1.00 10.41 C ATOM 1001 O LYS A 63 11.787 -6.784 4.375 1.00 9.59 O ATOM 1002 CB LYS A 63 12.966 -7.522 1.458 1.00 13.73 C ATOM 1003 CG LYS A 63 14.274 -7.639 2.225 1.00 16.98 C ATOM 1004 CD LYS A 63 15.091 -8.870 1.789 1.00 20.19 C ATOM 1005 CE LYS A 63 16.229 -9.346 2.703 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.216 -8.179 2.783 1.00 25.97 N ATOM 0 H LYS A 63 13.600 -5.237 1.832 1.00 11.73 H new ATOM 0 HA LYS A 63 11.183 -6.292 1.327 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.473 -8.494 1.454 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.188 -7.273 0.420 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.867 -6.737 2.070 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.064 -7.703 3.293 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.398 -9.701 1.660 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.518 -8.656 0.809 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.853 -9.608 3.692 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.709 -10.237 2.298 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.040 -8.460 3.352 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.528 -7.922 1.825 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.752 -7.361 3.227 1.00 25.97 H new ATOM 1020 N GLU A 64 10.318 -7.854 3.063 1.00 10.04 N ATOM 1021 CA GLU A 64 9.493 -8.609 3.979 1.00 10.94 C ATOM 1022 C GLU A 64 8.761 -7.714 4.971 1.00 9.74 C ATOM 1023 O GLU A 64 8.345 -8.084 6.036 1.00 9.42 O ATOM 1024 CB GLU A 64 10.321 -9.712 4.646 1.00 18.31 C ATOM 1025 CG GLU A 64 10.965 -10.630 3.548 1.00 24.16 C ATOM 1026 CD GLU A 64 11.565 -11.853 4.156 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.424 -11.715 5.085 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.290 -12.962 3.618 1.00 31.72 O ATOM 0 H GLU A 64 9.982 -7.984 2.109 1.00 10.04 H new ATOM 0 HA GLU A 64 8.702 -9.098 3.411 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.100 -9.270 5.266 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.688 -10.307 5.305 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.207 -10.917 2.819 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.732 -10.074 3.009 1.00 24.16 H new ATOM 1035 N SER A 65 8.606 -6.428 4.653 1.00 6.85 N ATOM 1036 CA SER A 65 8.005 -5.455 5.580 1.00 6.90 C ATOM 1037 C SER A 65 6.520 -5.513 5.563 1.00 4.72 C ATOM 1038 O SER A 65 5.877 -5.896 4.589 1.00 3.91 O ATOM 1039 CB SER A 65 8.332 -3.981 5.329 1.00 7.28 C ATOM 1040 OG SER A 65 9.762 -3.777 5.518 1.00 10.56 O ATOM 0 H SER A 65 8.888 -6.030 3.757 1.00 6.85 H new ATOM 0 HA SER A 65 8.449 -5.764 6.526 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.041 -3.697 4.318 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.767 -3.348 6.013 1.00 7.28 H new ATOM 0 HG SER A 65 10.217 -3.828 4.652 1.00 10.56 H new ATOM 1046 N THR A 66 5.936 -5.177 6.691 1.00 4.48 N ATOM 1047 CA THR A 66 4.454 -5.076 6.766 1.00 3.80 C ATOM 1048 C THR A 66 3.998 -3.649 6.605 1.00 4.60 C ATOM 1049 O THR A 66 4.452 -2.782 7.346 1.00 5.33 O ATOM 1050 CB THR A 66 3.884 -5.535 8.120 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.336 -6.863 8.475 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.342 -5.457 8.207 1.00 3.40 C ATOM 0 H THR A 66 6.428 -4.969 7.560 1.00 4.48 H new ATOM 0 HA THR A 66 4.095 -5.721 5.964 1.00 3.80 H new ATOM 0 HB THR A 66 4.278 -4.822 8.844 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.954 -7.118 9.341 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.015 -5.796 9.190 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.021 -4.427 8.054 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.902 -6.093 7.439 1.00 3.40 H new ATOM 1060 N LEU A 67 3.052 -3.396 5.661 1.00 4.17 N ATOM 1061 CA LEU A 67 2.443 -2.095 5.403 1.00 3.85 C ATOM 1062 C LEU A 67 0.988 -2.215 5.862 1.00 3.80 C ATOM 1063 O LEU A 67 0.421 -3.302 5.701 1.00 5.54 O ATOM 1064 CB LEU A 67 2.389 -1.855 3.867 1.00 7.18 C ATOM 1065 CG LEU A 67 3.625 -1.104 3.374 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.838 -2.040 3.201 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.414 -0.372 2.068 1.00 11.66 C ATOM 0 H LEU A 67 2.692 -4.127 5.047 1.00 4.17 H new ATOM 0 HA LEU A 67 2.997 -1.300 5.901 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.313 -2.812 3.351 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.493 -1.287 3.618 1.00 7.18 H new ATOM 0 HG LEU A 67 3.818 -0.369 4.155 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.694 -1.465 2.849 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.080 -2.503 4.158 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.598 -2.815 2.473 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.335 0.137 1.783 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.138 -1.085 1.291 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.616 0.361 2.187 1.00 11.66 H new ATOM 1079 N HIS A 68 0.330 -1.169 6.333 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.984 -1.339 6.844 1.00 4.17 C ATOM 1081 C HIS A 68 -1.948 -0.764 5.806 1.00 5.32 C ATOM 1082 O HIS A 68 -1.556 0.218 5.140 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.166 -0.543 8.121 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.038 -0.942 9.028 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.111 -0.243 9.267 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.082 -2.141 9.687 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.909 -1.035 10.024 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.316 -2.188 10.313 1.00 16.30 N ATOM 0 H HIS A 68 0.692 -0.216 6.365 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.165 -2.395 7.047 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.143 0.528 7.919 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.130 -0.760 8.581 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.328 0.698 8.938 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.665 -2.921 9.713 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.902 -0.763 10.351 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.134 -1.358 5.645 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.964 -0.869 4.612 1.00 3.97 C ATOM 1098 C LEU A 69 -5.290 -0.472 5.193 1.00 5.07 C ATOM 1099 O LEU A 69 -5.794 -1.123 6.082 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.289 -1.955 3.513 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.060 -1.538 2.265 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.494 -0.320 1.498 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.334 -2.689 1.297 1.00 9.96 C ATOM 0 H LEU A 69 -3.501 -2.133 6.197 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.423 -0.039 4.157 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.342 -2.386 3.186 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.852 -2.753 3.996 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.008 -1.211 2.691 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.120 -0.113 0.630 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.484 0.551 2.154 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.478 -0.538 1.169 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.886 -2.315 0.434 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.389 -3.118 0.965 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.923 -3.455 1.800 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.834 0.715 4.772 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.121 1.220 5.221 1.00 6.26 C ATOM 1117 C VAL A 70 -8.092 1.358 4.042 1.00 9.22 C ATOM 1118 O VAL A 70 -7.809 2.027 3.047 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.927 2.509 5.972 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.197 2.884 6.744 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.631 2.456 6.885 1.00 8.54 C ATOM 0 H VAL A 70 -5.367 1.332 4.107 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.575 0.507 5.909 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.753 3.309 5.253 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.034 3.819 7.280 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.025 3.005 6.045 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.436 2.095 7.457 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.520 3.403 7.414 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.728 1.646 7.608 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.754 2.283 6.262 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.334 0.778 4.234 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.257 0.536 3.181 1.00 16.06 C ATOM 1133 C LEU A 71 -11.624 1.135 3.284 1.00 18.09 C ATOM 1134 O LEU A 71 -12.453 0.841 4.127 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.341 -1.011 3.000 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.058 -1.637 2.351 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.205 -3.195 2.239 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.747 -0.928 1.008 1.00 19.57 C ATOM 0 H LEU A 71 -9.674 0.483 5.149 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.859 1.063 2.313 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.509 -1.474 3.973 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.205 -1.250 2.380 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.191 -1.471 2.990 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.306 -3.614 1.787 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.342 -3.620 3.233 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.069 -3.435 1.619 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.855 -1.368 0.563 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.590 -1.051 0.328 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.577 0.134 1.188 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.967 2.050 2.366 1.00 21.47 N ATOM 1151 CA ARG A 72 -13.294 2.686 2.114 1.00 25.83 C ATOM 1152 C ARG A 72 -14.390 1.611 1.801 1.00 27.74 C ATOM 1153 O ARG A 72 -14.180 0.493 1.401 1.00 30.65 O ATOM 1154 CB ARG A 72 -13.198 3.831 1.075 1.00 28.49 C ATOM 1155 CG ARG A 72 -14.465 4.755 0.918 1.00 31.79 C ATOM 1156 CD ARG A 72 -14.207 6.011 0.147 1.00 34.05 C ATOM 1157 NE ARG A 72 -15.491 6.653 -0.170 1.00 35.08 N ATOM 1158 CZ ARG A 72 -15.663 7.802 -0.846 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -14.597 8.582 -1.109 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -16.876 8.100 -1.282 1.00 35.02 N ATOM 0 H ARG A 72 -11.267 2.405 1.714 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.623 3.174 3.032 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.349 4.461 1.341 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.976 3.390 0.103 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -15.255 4.191 0.421 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -14.836 5.018 1.909 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -13.582 6.688 0.729 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -13.663 5.784 -0.770 1.00 34.05 H new ATOM 0 HE ARG A 72 -16.334 6.180 0.155 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -13.668 8.299 -0.796 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -14.718 9.456 -1.621 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -17.653 7.464 -1.102 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -17.034 8.966 -1.798 1.00 35.02 H new ATOM 1174 N LEU A 73 -15.660 1.907 2.099 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.759 1.156 1.560 1.00 30.76 C ATOM 1176 C LEU A 73 -16.821 1.334 0.052 1.00 32.18 C ATOM 1177 O LEU A 73 -16.428 2.324 -0.553 1.00 32.31 O ATOM 1178 CB LEU A 73 -18.134 1.485 2.238 1.00 30.53 C ATOM 1179 CG LEU A 73 -18.246 1.231 3.737 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -19.604 1.784 4.216 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -18.144 -0.330 4.062 1.00 29.11 C ATOM 0 H LEU A 73 -15.936 2.670 2.717 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.571 0.107 1.788 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -18.359 2.536 2.055 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.907 0.902 1.737 1.00 30.53 H new ATOM 0 HG LEU A 73 -17.426 1.729 4.255 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.708 1.614 5.288 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -19.654 2.853 4.012 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -20.411 1.276 3.688 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.227 -0.484 5.138 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.951 -0.860 3.556 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.185 -0.712 3.714 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.250 0.292 -0.633 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.252 0.140 -2.069 1.00 35.33 C ATOM 1195 C ARG A 74 -18.083 1.157 -2.936 1.00 36.22 C ATOM 1196 O ARG A 74 -17.665 1.600 -3.977 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.679 -1.305 -2.586 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.978 -2.451 -1.854 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.077 -3.716 -2.705 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.462 -4.853 -1.925 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.633 -6.117 -2.273 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.149 -6.381 -3.408 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.340 -7.080 -1.373 1.00 41.93 N ATOM 0 H ARG A 74 -17.633 -0.528 -0.163 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.194 0.347 -2.227 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.757 -1.418 -2.472 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.462 -1.379 -3.652 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.933 -2.199 -1.673 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.440 -2.615 -0.880 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.118 -3.936 -2.941 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.557 -3.579 -3.653 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.897 -4.639 -1.103 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.423 -5.622 -4.032 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.288 -7.351 -3.692 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.995 -6.825 -0.448 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.464 -8.062 -1.619 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.236 1.451 -2.430 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.190 2.419 -3.028 1.00 36.07 C ATOM 1219 C GLY A 75 -20.454 3.657 -2.212 1.00 36.16 C ATOM 1220 O GLY A 75 -20.993 4.636 -2.824 1.00 36.26 O ATOM 0 H GLY A 75 -19.580 1.031 -1.567 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.810 2.722 -4.003 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.138 1.909 -3.200 1.00 36.07 H new ATOM 1224 N GLY A 76 -20.105 3.603 -0.926 1.00 36.05 N ATOM 1225 CA GLY A 76 -20.155 4.812 -0.087 1.00 36.19 C ATOM 1226 C GLY A 76 -18.942 5.728 -0.221 1.00 36.20 C ATOM 1227 O GLY A 76 -19.076 6.933 -0.519 1.00 0.00 O ATOM 1228 OXT GLY A 76 -17.855 5.325 0.097 1.00 0.00 O ATOM 0 H GLY A 76 -19.791 2.759 -0.447 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -21.051 5.378 -0.341 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -20.253 4.511 0.956 1.00 36.19 H new TER 1232 GLY A 76