USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0.321 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.22) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0463) USER MOD Single : A 1 MET N :NH3+ 148:sc= 1.27 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0.955 (180deg=0.853) 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 22 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 25 ASN : amide:sc= -0.0239 K(o=-0.024,f=-0.55) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 2.01 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= 1.26 (180deg=-0.485) USER MOD Single : A 31 GLN : amide:sc=-0.00511 K(o=-0.0051,f=-0.66) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0368) USER MOD Single : A 40 GLN : amide:sc= 1.01 K(o=1,f=-0.21) USER MOD Single : A 41 GLN : amide:sc= 1.44 K(o=1.4,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 0.951 (180deg=0.457) USER MOD Single : A 49 GLN : amide:sc= 0.678 K(o=0.68,f=-5.5!) USER MOD Single : A 55 THR OG1 : rot -84:sc= 1.51 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.326 USER MOD Single : A 60 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.49) 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 76:sc= 0.983 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0376 K(o=-0.038,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.939 -6.947 -4.987 1.00 9.67 N ATOM 2 CA MET A 1 11.714 -7.312 -3.561 1.00 10.38 C ATOM 3 C MET A 1 10.291 -7.759 -3.267 1.00 9.62 C ATOM 4 O MET A 1 9.565 -8.073 -4.203 1.00 9.62 O ATOM 5 CB MET A 1 12.198 -6.224 -2.499 1.00 13.77 C ATOM 6 CG MET A 1 11.474 -4.885 -2.576 1.00 16.29 C ATOM 7 SD MET A 1 12.215 -3.645 -1.443 1.00 17.17 S ATOM 8 CE MET A 1 10.952 -2.463 -1.967 1.00 16.11 C ATOM 0 H1 MET A 1 12.653 -6.193 -5.044 1.00 9.67 H new ATOM 0 H2 MET A 1 12.274 -7.781 -5.510 1.00 9.67 H new ATOM 0 H3 MET A 1 11.047 -6.612 -5.404 1.00 9.67 H new ATOM 0 HA MET A 1 12.369 -8.173 -3.427 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.069 -6.633 -1.497 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.265 -6.052 -2.638 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.510 -4.510 -3.599 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.423 -5.025 -2.325 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.171 -1.484 -1.541 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.948 -2.393 -3.055 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.974 -2.799 -1.622 1.00 16.11 H new ATOM 20 N GLN A 2 9.989 -7.804 -1.897 1.00 9.27 N ATOM 21 CA GLN A 2 8.735 -8.342 -1.422 1.00 9.07 C ATOM 22 C GLN A 2 8.147 -7.591 -0.167 1.00 8.72 C ATOM 23 O GLN A 2 8.831 -7.352 0.792 1.00 8.22 O ATOM 24 CB GLN A 2 8.993 -9.803 -1.052 1.00 14.46 C ATOM 25 CG GLN A 2 7.777 -10.501 -0.374 1.00 17.01 C ATOM 26 CD GLN A 2 8.236 -11.915 -0.018 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.958 -12.207 0.965 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.824 -12.877 -0.897 1.00 19.49 N ATOM 0 H GLN A 2 10.613 -7.471 -1.162 1.00 9.27 H new ATOM 0 HA GLN A 2 7.995 -8.223 -2.213 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.262 -10.355 -1.953 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.850 -9.853 -0.380 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.465 -9.958 0.518 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.920 -10.529 -1.047 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.237 -12.624 -1.692 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.104 -13.848 -0.758 1.00 19.49 H new ATOM 37 N ILE A 3 6.921 -7.159 -0.208 1.00 5.87 N ATOM 38 CA ILE A 3 6.259 -6.541 0.905 1.00 5.07 C ATOM 39 C ILE A 3 4.879 -7.192 1.131 1.00 4.01 C ATOM 40 O ILE A 3 4.203 -7.728 0.272 1.00 4.61 O ATOM 41 CB ILE A 3 6.050 -5.031 0.728 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.268 -4.694 -0.591 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.427 -4.368 0.818 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.001 -3.215 -0.848 1.00 10.83 C ATOM 0 H ILE A 3 6.336 -7.229 -1.041 1.00 5.87 H new ATOM 0 HA ILE A 3 6.915 -6.692 1.762 1.00 5.07 H new ATOM 0 HB ILE A 3 5.413 -4.632 1.517 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.829 -5.094 -1.435 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.312 -5.217 -0.567 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.320 -3.290 0.696 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.871 -4.581 1.790 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.072 -4.760 0.031 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.456 -3.101 -1.785 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.408 -2.805 -0.031 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.949 -2.680 -0.912 1.00 10.83 H new ATOM 56 N PHE A 4 4.439 -7.144 2.433 1.00 4.55 N ATOM 57 CA PHE A 4 3.207 -7.714 2.856 1.00 4.68 C ATOM 58 C PHE A 4 2.187 -6.664 3.198 1.00 5.30 C ATOM 59 O PHE A 4 2.420 -5.752 4.013 1.00 5.58 O ATOM 60 CB PHE A 4 3.303 -8.578 4.147 1.00 4.83 C ATOM 61 CG PHE A 4 4.451 -9.530 4.043 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.308 -10.722 3.289 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.597 -9.426 4.849 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.214 -11.799 3.407 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.512 -10.449 4.925 1.00 10.61 C ATOM 66 CZ PHE A 4 6.379 -11.604 4.136 1.00 8.90 C ATOM 0 H PHE A 4 4.964 -6.697 3.184 1.00 4.55 H new ATOM 0 HA PHE A 4 2.926 -8.327 2.000 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.432 -7.934 5.017 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.375 -9.130 4.295 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.479 -10.809 2.602 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.762 -8.524 5.420 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.005 -12.751 2.941 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.348 -10.363 5.603 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.175 -12.333 4.097 1.00 8.90 H new ATOM 76 N VAL A 5 0.976 -6.697 2.617 1.00 4.44 N ATOM 77 CA VAL A 5 -0.060 -5.686 2.833 1.00 3.87 C ATOM 78 C VAL A 5 -1.087 -6.380 3.731 1.00 4.93 C ATOM 79 O VAL A 5 -1.635 -7.456 3.410 1.00 6.84 O ATOM 80 CB VAL A 5 -0.603 -5.110 1.534 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.866 -4.300 1.830 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.582 -4.295 0.912 1.00 9.13 C ATOM 0 H VAL A 5 0.690 -7.438 1.977 1.00 4.44 H new ATOM 0 HA VAL A 5 0.316 -4.787 3.320 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.923 -5.858 0.809 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.258 -3.885 0.901 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.616 -4.948 2.283 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.625 -3.488 2.516 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.262 -3.850 -0.030 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.883 -3.507 1.602 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.426 -4.961 0.731 1.00 9.13 H new ATOM 92 N LYS A 6 -1.397 -5.764 4.898 1.00 6.04 N ATOM 93 CA LYS A 6 -2.129 -6.504 5.920 1.00 6.12 C ATOM 94 C LYS A 6 -3.187 -5.660 6.548 1.00 6.57 C ATOM 95 O LYS A 6 -2.941 -4.505 6.963 1.00 5.76 O ATOM 96 CB LYS A 6 -1.104 -6.941 6.972 1.00 7.45 C ATOM 97 CG LYS A 6 -1.646 -7.711 8.202 1.00 11.12 C ATOM 98 CD LYS A 6 -0.603 -8.475 8.990 1.00 14.54 C ATOM 99 CE LYS A 6 -1.168 -9.312 10.129 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.617 -10.580 9.672 1.00 20.55 N ATOM 0 H LYS A 6 -1.159 -4.801 5.136 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.632 -7.363 5.476 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.360 -7.568 6.481 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.585 -6.052 7.330 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.136 -7.001 8.869 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.410 -8.411 7.865 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.058 -9.129 8.310 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.118 -7.767 9.398 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.404 -9.450 10.894 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.996 -8.779 10.597 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.980 -11.130 10.476 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.375 -10.448 8.972 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.825 -11.091 9.232 1.00 20.55 H new ATOM 114 N THR A 7 -4.458 -6.203 6.680 1.00 7.41 N ATOM 115 CA THR A 7 -5.566 -5.417 7.284 1.00 7.48 C ATOM 116 C THR A 7 -5.542 -5.374 8.820 1.00 8.75 C ATOM 117 O THR A 7 -4.750 -6.057 9.439 1.00 8.58 O ATOM 118 CB THR A 7 -6.910 -5.879 6.814 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.225 -7.176 7.178 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.851 -5.719 5.298 1.00 9.17 C ATOM 0 H THR A 7 -4.715 -7.145 6.384 1.00 7.41 H new ATOM 0 HA THR A 7 -5.394 -4.400 6.933 1.00 7.48 H new ATOM 0 HB THR A 7 -7.702 -5.293 7.280 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.115 -7.404 6.838 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.798 -6.035 4.862 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.668 -4.674 5.049 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.044 -6.334 4.898 1.00 9.17 H new ATOM 128 N LEU A 8 -6.452 -4.586 9.411 1.00 9.84 N ATOM 129 CA LEU A 8 -6.648 -4.586 10.846 1.00 14.15 C ATOM 130 C LEU A 8 -7.160 -5.867 11.457 1.00 17.37 C ATOM 131 O LEU A 8 -6.751 -6.383 12.489 1.00 17.01 O ATOM 132 CB LEU A 8 -7.580 -3.348 11.208 1.00 16.63 C ATOM 133 CG LEU A 8 -8.175 -3.357 12.668 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.141 -3.418 13.835 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.092 -2.182 12.857 1.00 18.59 C ATOM 0 H LEU A 8 -7.060 -3.942 8.905 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.659 -4.497 11.295 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.007 -2.431 11.073 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.406 -3.316 10.497 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.717 -4.301 12.734 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.669 -3.419 14.789 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.547 -4.328 13.748 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.484 -2.550 13.785 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.498 -2.197 13.868 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.535 -1.258 12.703 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.909 -2.238 12.137 1.00 18.59 H new ATOM 147 N THR A 9 -8.130 -6.516 10.827 1.00 18.33 N ATOM 148 CA THR A 9 -8.667 -7.815 11.248 1.00 19.24 C ATOM 149 C THR A 9 -7.742 -8.864 10.927 1.00 19.48 C ATOM 150 O THR A 9 -7.598 -9.761 11.765 1.00 23.14 O ATOM 151 CB THR A 9 -10.060 -7.980 10.783 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.265 -7.949 9.366 1.00 20.24 O ATOM 153 CG2 THR A 9 -10.930 -6.941 11.453 1.00 19.70 C ATOM 0 H THR A 9 -8.580 -6.150 9.988 1.00 18.33 H new ATOM 0 HA THR A 9 -8.756 -7.871 12.333 1.00 19.24 H new ATOM 0 HB THR A 9 -10.337 -8.995 11.069 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.218 -8.069 9.171 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.960 -7.056 11.115 1.00 19.70 H new ATOM 0 HG22 THR A 9 -10.886 -7.072 12.534 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.572 -5.945 11.194 1.00 19.70 H new ATOM 161 N GLY A 10 -6.939 -8.761 9.810 1.00 19.43 N ATOM 162 CA GLY A 10 -5.672 -9.452 9.861 1.00 18.74 C ATOM 163 C GLY A 10 -5.196 -10.056 8.555 1.00 17.62 C ATOM 164 O GLY A 10 -4.053 -10.511 8.453 1.00 19.74 O ATOM 0 H GLY A 10 -7.150 -8.247 8.954 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.913 -8.754 10.214 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.743 -10.248 10.603 1.00 18.74 H new ATOM 168 N LYS A 11 -6.097 -10.110 7.541 1.00 13.56 N ATOM 169 CA LYS A 11 -5.874 -10.750 6.237 1.00 11.91 C ATOM 170 C LYS A 11 -4.733 -10.092 5.491 1.00 10.18 C ATOM 171 O LYS A 11 -4.759 -8.879 5.369 1.00 9.10 O ATOM 172 CB LYS A 11 -7.168 -10.685 5.378 1.00 13.43 C ATOM 173 CG LYS A 11 -7.065 -11.422 4.020 1.00 16.69 C ATOM 174 CD LYS A 11 -8.085 -10.987 2.965 1.00 17.92 C ATOM 175 CE LYS A 11 -7.735 -11.517 1.591 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.777 -11.103 0.592 1.00 21.93 N ATOM 0 H LYS A 11 -7.025 -9.694 7.620 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.611 -11.792 6.418 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.992 -11.113 5.949 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.416 -9.640 5.194 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.063 -11.271 3.618 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.181 -12.492 4.195 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.076 -11.342 3.250 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.133 -9.899 2.933 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.759 -11.140 1.286 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.662 -12.604 1.621 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.571 -11.543 -0.327 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.715 -11.411 0.920 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.769 -10.068 0.490 1.00 21.93 H new ATOM 190 N THR A 12 -3.726 -10.860 5.005 1.00 9.63 N ATOM 191 CA THR A 12 -2.440 -10.458 4.478 1.00 9.85 C ATOM 192 C THR A 12 -2.289 -10.910 3.036 1.00 11.66 C ATOM 193 O THR A 12 -2.547 -11.987 2.575 1.00 12.33 O ATOM 194 CB THR A 12 -1.284 -10.996 5.286 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.555 -10.744 6.661 1.00 10.91 O ATOM 196 CG2 THR A 12 0.077 -10.334 4.943 1.00 9.63 C ATOM 0 H THR A 12 -3.826 -11.875 4.979 1.00 9.63 H new ATOM 0 HA THR A 12 -2.412 -9.370 4.536 1.00 9.85 H new ATOM 0 HB THR A 12 -1.197 -12.058 5.055 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.818 -11.087 7.208 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.860 -10.771 5.563 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.309 -10.503 3.892 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.019 -9.262 5.134 1.00 9.63 H new ATOM 204 N ILE A 13 -1.700 -10.063 2.204 1.00 10.42 N ATOM 205 CA ILE A 13 -1.362 -10.376 0.808 1.00 11.84 C ATOM 206 C ILE A 13 0.073 -9.989 0.561 1.00 10.55 C ATOM 207 O ILE A 13 0.593 -8.933 0.938 1.00 11.92 O ATOM 208 CB ILE A 13 -2.318 -9.722 -0.173 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.148 -8.144 -0.315 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.772 -10.119 0.106 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.109 -7.565 -1.348 1.00 16.46 C ATOM 0 H ILE A 13 -1.435 -9.117 2.479 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.472 -11.448 0.642 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.038 -10.119 -1.149 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.323 -7.671 0.651 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.122 -7.913 -0.602 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.427 -9.632 -0.616 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.877 -11.200 0.019 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.047 -9.808 1.114 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.963 -6.487 -1.417 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.916 -8.020 -2.320 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.136 -7.774 -1.047 1.00 16.46 H new ATOM 223 N THR A 14 0.749 -10.947 -0.102 1.00 9.39 N ATOM 224 CA THR A 14 2.171 -10.860 -0.408 1.00 9.63 C ATOM 225 C THR A 14 2.391 -10.258 -1.748 1.00 11.20 C ATOM 226 O THR A 14 1.773 -10.667 -2.717 1.00 11.63 O ATOM 227 CB THR A 14 2.921 -12.179 -0.469 1.00 10.38 C ATOM 228 OG1 THR A 14 2.782 -12.830 0.731 1.00 16.30 O ATOM 229 CG2 THR A 14 4.449 -11.980 -0.718 1.00 11.66 C ATOM 0 H THR A 14 0.311 -11.805 -0.438 1.00 9.39 H new ATOM 0 HA THR A 14 2.550 -10.266 0.424 1.00 9.63 H new ATOM 0 HB THR A 14 2.501 -12.751 -1.296 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.263 -13.683 0.698 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.941 -12.952 -0.753 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.599 -11.462 -1.666 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.875 -11.387 0.091 1.00 11.66 H new ATOM 237 N LEU A 15 3.165 -9.186 -1.850 1.00 8.29 N ATOM 238 CA LEU A 15 3.232 -8.411 -3.033 1.00 9.03 C ATOM 239 C LEU A 15 4.776 -8.340 -3.390 1.00 8.59 C ATOM 240 O LEU A 15 5.619 -7.690 -2.746 1.00 7.79 O ATOM 241 CB LEU A 15 2.732 -6.939 -2.988 1.00 11.08 C ATOM 242 CG LEU A 15 1.266 -6.723 -2.459 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.983 -5.214 -2.392 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.203 -7.392 -3.347 1.00 15.27 C ATOM 0 H LEU A 15 3.760 -8.846 -1.095 1.00 8.29 H new ATOM 0 HA LEU A 15 2.563 -8.902 -3.740 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.412 -6.365 -2.359 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.799 -6.523 -3.993 1.00 11.08 H new ATOM 0 HG LEU A 15 1.202 -7.187 -1.475 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.031 -5.050 -2.027 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.694 -4.740 -1.715 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.085 -4.780 -3.387 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.787 -7.208 -2.931 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.256 -6.977 -4.354 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.386 -8.466 -3.387 1.00 15.27 H new ATOM 256 N GLU A 16 5.124 -8.912 -4.532 1.00 11.04 N ATOM 257 CA GLU A 16 6.336 -8.616 -5.304 1.00 11.50 C ATOM 258 C GLU A 16 6.352 -7.204 -5.960 1.00 10.13 C ATOM 259 O GLU A 16 5.396 -6.826 -6.620 1.00 9.83 O ATOM 260 CB GLU A 16 6.568 -9.678 -6.388 1.00 17.22 C ATOM 261 CG GLU A 16 8.058 -9.657 -6.871 1.00 23.33 C ATOM 262 CD GLU A 16 8.273 -10.830 -7.849 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.317 -11.996 -7.453 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.333 -10.544 -9.067 1.00 28.90 O ATOM 0 H GLU A 16 4.547 -9.629 -4.972 1.00 11.04 H new ATOM 0 HA GLU A 16 7.144 -8.632 -4.573 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.321 -10.665 -5.997 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.904 -9.495 -7.232 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.284 -8.710 -7.360 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.733 -9.745 -6.020 1.00 23.33 H new ATOM 271 N VAL A 17 7.426 -6.404 -5.738 1.00 8.99 N ATOM 272 CA VAL A 17 7.480 -4.942 -6.007 1.00 8.85 C ATOM 273 C VAL A 17 8.942 -4.636 -6.099 1.00 8.04 C ATOM 274 O VAL A 17 9.783 -5.497 -5.774 1.00 8.99 O ATOM 275 CB VAL A 17 6.889 -4.097 -4.935 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.346 -4.204 -4.960 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.416 -4.535 -3.563 1.00 10.54 C ATOM 0 H VAL A 17 8.301 -6.766 -5.358 1.00 8.99 H new ATOM 0 HA VAL A 17 6.901 -4.718 -6.903 1.00 8.85 H new ATOM 0 HB VAL A 17 7.177 -3.061 -5.112 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.925 -3.581 -4.171 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.973 -3.866 -5.927 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.051 -5.241 -4.800 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.976 -3.909 -2.787 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.147 -5.576 -3.385 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.501 -4.432 -3.540 1.00 10.54 H new ATOM 287 N GLU A 18 9.307 -3.389 -6.472 1.00 7.29 N ATOM 288 CA GLU A 18 10.682 -2.904 -6.480 1.00 7.08 C ATOM 289 C GLU A 18 10.720 -1.582 -5.839 1.00 6.45 C ATOM 290 O GLU A 18 9.702 -0.902 -5.764 1.00 5.28 O ATOM 291 CB GLU A 18 11.217 -2.869 -7.978 1.00 10.28 C ATOM 292 CG GLU A 18 11.465 -4.246 -8.575 1.00 12.65 C ATOM 293 CD GLU A 18 12.102 -4.038 -9.919 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.995 -2.944 -10.563 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.628 -5.094 -10.450 1.00 14.33 O ATOM 0 H GLU A 18 8.633 -2.688 -6.779 1.00 7.29 H new ATOM 0 HA GLU A 18 11.337 -3.568 -5.916 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.495 -2.339 -8.599 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.145 -2.298 -8.009 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.115 -4.835 -7.928 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.530 -4.797 -8.673 1.00 12.65 H new ATOM 302 N PRO A 19 11.819 -1.131 -5.291 1.00 7.24 N ATOM 303 CA PRO A 19 11.838 0.074 -4.496 1.00 7.07 C ATOM 304 C PRO A 19 11.533 1.395 -5.172 1.00 6.65 C ATOM 305 O PRO A 19 11.192 2.402 -4.541 1.00 6.37 O ATOM 306 CB PRO A 19 13.176 0.084 -3.860 1.00 7.61 C ATOM 307 CG PRO A 19 14.086 -0.856 -4.676 1.00 8.16 C ATOM 308 CD PRO A 19 13.074 -1.899 -5.167 1.00 7.49 C ATOM 0 HA PRO A 19 10.998 0.020 -3.804 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.585 1.094 -3.844 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.110 -0.250 -2.824 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.577 -0.339 -5.501 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.872 -1.301 -4.065 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.375 -2.332 -6.121 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.972 -2.723 -4.461 1.00 7.49 H new ATOM 316 N SER A 20 11.664 1.468 -6.534 1.00 6.80 N ATOM 317 CA SER A 20 11.419 2.688 -7.284 1.00 6.28 C ATOM 318 C SER A 20 10.011 2.684 -7.869 1.00 8.45 C ATOM 319 O SER A 20 9.656 3.642 -8.547 1.00 7.26 O ATOM 320 CB SER A 20 12.452 2.892 -8.497 1.00 8.57 C ATOM 321 OG SER A 20 13.851 2.693 -8.186 1.00 11.13 O ATOM 0 H SER A 20 11.941 0.676 -7.114 1.00 6.80 H new ATOM 0 HA SER A 20 11.547 3.505 -6.573 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.178 2.206 -9.299 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.328 3.903 -8.886 1.00 8.57 H new ATOM 0 HG SER A 20 14.389 2.840 -8.992 1.00 11.13 H new ATOM 327 N ASP A 21 9.177 1.714 -7.580 1.00 7.50 N ATOM 328 CA ASP A 21 7.731 1.734 -7.880 1.00 7.70 C ATOM 329 C ASP A 21 7.063 2.720 -6.921 1.00 7.08 C ATOM 330 O ASP A 21 7.502 2.972 -5.760 1.00 8.11 O ATOM 331 CB ASP A 21 7.156 0.389 -7.600 1.00 11.00 C ATOM 332 CG ASP A 21 7.657 -0.699 -8.560 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.823 -0.326 -9.747 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.647 -1.893 -8.216 1.00 14.36 O ATOM 0 H ASP A 21 9.476 0.856 -7.116 1.00 7.50 H new ATOM 0 HA ASP A 21 7.571 2.012 -8.922 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.402 0.102 -6.577 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.069 0.446 -7.662 1.00 11.00 H new ATOM 339 N THR A 22 6.002 3.432 -7.446 1.00 5.37 N ATOM 340 CA THR A 22 5.278 4.364 -6.506 1.00 6.01 C ATOM 341 C THR A 22 4.210 3.649 -5.712 1.00 8.01 C ATOM 342 O THR A 22 3.823 2.470 -5.882 1.00 8.11 O ATOM 343 CB THR A 22 4.645 5.543 -7.193 1.00 8.92 C ATOM 344 OG1 THR A 22 3.623 5.186 -8.093 1.00 10.22 O ATOM 345 CG2 THR A 22 5.672 6.380 -7.923 1.00 9.65 C ATOM 0 H THR A 22 5.659 3.390 -8.406 1.00 5.37 H new ATOM 0 HA THR A 22 6.057 4.734 -5.839 1.00 6.01 H new ATOM 0 HB THR A 22 4.194 6.127 -6.391 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.252 5.995 -8.504 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.178 7.222 -8.407 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.410 6.752 -7.212 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.170 5.770 -8.677 1.00 9.65 H new ATOM 353 N ILE A 23 3.701 4.339 -4.700 1.00 8.32 N ATOM 354 CA ILE A 23 2.668 3.812 -3.818 1.00 9.92 C ATOM 355 C ILE A 23 1.407 3.588 -4.677 1.00 10.01 C ATOM 356 O ILE A 23 0.708 2.606 -4.434 1.00 8.71 O ATOM 357 CB ILE A 23 2.486 4.726 -2.571 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.790 4.715 -1.691 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.292 4.211 -1.808 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.167 3.371 -1.069 1.00 12.30 C ATOM 0 H ILE A 23 3.996 5.287 -4.466 1.00 8.32 H new ATOM 0 HA ILE A 23 2.938 2.849 -3.385 1.00 9.92 H new ATOM 0 HB ILE A 23 2.316 5.762 -2.864 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.623 5.054 -2.307 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.669 5.443 -0.889 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.132 4.828 -0.924 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.408 4.252 -2.444 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.472 3.180 -1.503 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.081 3.484 -0.485 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.361 3.032 -0.419 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.329 2.637 -1.859 1.00 12.30 H new ATOM 372 N GLU A 24 1.131 4.456 -5.675 1.00 9.54 N ATOM 373 CA GLU A 24 0.059 4.197 -6.651 1.00 11.81 C ATOM 374 C GLU A 24 0.228 2.933 -7.459 1.00 11.14 C ATOM 375 O GLU A 24 -0.674 2.087 -7.593 1.00 10.62 O ATOM 376 CB GLU A 24 0.065 5.376 -7.643 1.00 19.24 C ATOM 377 CG GLU A 24 -1.142 5.267 -8.646 1.00 27.76 C ATOM 378 CD GLU A 24 -1.267 6.414 -9.646 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.235 6.827 -10.180 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.429 6.931 -9.816 1.00 34.80 O ATOM 0 H GLU A 24 1.632 5.332 -5.822 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.866 4.083 -6.085 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.006 6.317 -7.097 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.004 5.387 -8.196 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.049 4.333 -9.200 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.066 5.206 -8.071 1.00 27.76 H new ATOM 387 N ASN A 25 1.480 2.696 -7.906 1.00 9.43 N ATOM 388 CA ASN A 25 1.896 1.455 -8.582 1.00 10.96 C ATOM 389 C ASN A 25 1.633 0.201 -7.703 1.00 9.68 C ATOM 390 O ASN A 25 1.232 -0.866 -8.213 1.00 9.33 O ATOM 391 CB ASN A 25 3.370 1.589 -9.055 1.00 16.78 C ATOM 392 CG ASN A 25 3.871 0.356 -9.871 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.973 -0.788 -9.373 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.146 0.604 -11.200 1.00 24.70 N ATOM 0 H ASN A 25 2.237 3.372 -7.805 1.00 9.43 H new ATOM 0 HA ASN A 25 1.283 1.305 -9.471 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.468 2.485 -9.667 1.00 16.78 H new ATOM 0 HB3 ASN A 25 4.012 1.726 -8.185 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.443 -0.158 -11.810 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.052 1.549 -11.572 1.00 24.70 H new ATOM 401 N VAL A 26 1.944 0.293 -6.391 1.00 6.52 N ATOM 402 CA VAL A 26 1.696 -0.752 -5.380 1.00 5.53 C ATOM 403 C VAL A 26 0.203 -1.045 -5.207 1.00 4.42 C ATOM 404 O VAL A 26 -0.303 -2.164 -5.306 1.00 3.40 O ATOM 405 CB VAL A 26 2.425 -0.519 -4.048 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.092 -1.529 -2.948 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.939 -0.532 -4.082 1.00 8.12 C ATOM 0 H VAL A 26 2.388 1.123 -5.997 1.00 6.52 H new ATOM 0 HA VAL A 26 2.147 -1.660 -5.780 1.00 5.53 H new ATOM 0 HB VAL A 26 2.049 0.483 -3.840 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.654 -1.284 -2.047 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.024 -1.492 -2.732 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.361 -2.532 -3.281 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.327 -0.356 -3.079 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.287 -1.501 -4.440 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.295 0.251 -4.751 1.00 8.12 H new ATOM 417 N LYS A 27 -0.622 0.027 -5.049 1.00 2.64 N ATOM 418 CA LYS A 27 -2.106 0.013 -4.958 1.00 4.14 C ATOM 419 C LYS A 27 -2.711 -0.560 -6.208 1.00 5.58 C ATOM 420 O LYS A 27 -3.642 -1.326 -6.132 1.00 4.11 O ATOM 421 CB LYS A 27 -2.704 1.487 -4.810 1.00 3.97 C ATOM 422 CG LYS A 27 -2.301 2.042 -3.471 1.00 7.45 C ATOM 423 CD LYS A 27 -2.964 3.444 -3.258 1.00 9.02 C ATOM 424 CE LYS A 27 -2.681 3.998 -1.834 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.228 5.315 -1.592 1.00 15.47 N ATOM 0 H LYS A 27 -0.248 0.973 -4.978 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.348 -0.589 -4.082 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.333 2.127 -5.611 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.790 1.464 -4.898 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.607 1.360 -2.677 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.216 2.130 -3.415 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.586 4.143 -4.003 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.040 3.366 -3.412 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.091 3.306 -1.099 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.603 4.030 -1.676 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.602 5.837 -0.946 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.304 5.830 -2.492 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.171 5.226 -1.164 1.00 15.47 H new ATOM 439 N ALA A 28 -2.178 -0.225 -7.395 1.00 6.61 N ATOM 440 CA ALA A 28 -2.675 -0.863 -8.695 1.00 7.74 C ATOM 441 C ALA A 28 -2.471 -2.326 -8.714 1.00 9.17 C ATOM 442 O ALA A 28 -3.349 -3.109 -9.060 1.00 11.45 O ATOM 443 CB ALA A 28 -1.846 -0.212 -9.827 1.00 7.68 C ATOM 0 H ALA A 28 -1.428 0.456 -7.515 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.747 -0.699 -8.807 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.153 -0.626 -10.787 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.012 0.865 -9.826 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.787 -0.416 -9.666 1.00 7.68 H new ATOM 449 N LYS A 29 -1.366 -2.830 -8.154 1.00 8.96 N ATOM 450 CA LYS A 29 -1.126 -4.256 -7.939 1.00 7.90 C ATOM 451 C LYS A 29 -2.058 -4.954 -6.929 1.00 6.92 C ATOM 452 O LYS A 29 -2.542 -6.077 -7.121 1.00 6.87 O ATOM 453 CB LYS A 29 0.317 -4.591 -7.554 1.00 10.28 C ATOM 454 CG LYS A 29 0.691 -6.080 -7.981 1.00 14.94 C ATOM 455 CD LYS A 29 2.194 -6.423 -7.794 1.00 19.69 C ATOM 456 CE LYS A 29 2.565 -7.497 -8.792 1.00 22.63 C ATOM 457 NZ LYS A 29 3.971 -7.955 -8.646 1.00 24.98 N ATOM 0 H LYS A 29 -0.598 -2.242 -7.831 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.353 -4.652 -8.929 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.998 -3.889 -8.035 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.447 -4.474 -6.478 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.092 -6.778 -7.396 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.421 -6.228 -9.027 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.808 -5.535 -7.946 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.381 -6.769 -6.777 1.00 19.69 H new ATOM 0 HE2 LYS A 29 1.895 -8.348 -8.669 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.414 -7.116 -9.802 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.517 -7.673 -9.485 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.391 -7.523 -7.798 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.991 -8.991 -8.552 1.00 24.98 H new ATOM 471 N ILE A 30 -2.380 -4.299 -5.828 1.00 4.57 N ATOM 472 CA ILE A 30 -3.408 -4.645 -4.865 1.00 5.58 C ATOM 473 C ILE A 30 -4.832 -4.686 -5.435 1.00 7.26 C ATOM 474 O ILE A 30 -5.589 -5.571 -5.223 1.00 9.46 O ATOM 475 CB ILE A 30 -3.472 -3.739 -3.629 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.072 -3.882 -2.941 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.584 -4.108 -2.633 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.757 -2.703 -2.008 1.00 2.00 C ATOM 0 H ILE A 30 -1.890 -3.444 -5.564 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.083 -5.645 -4.579 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.707 -2.721 -3.939 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.043 -4.811 -2.371 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.299 -3.953 -3.706 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.560 -3.419 -1.789 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.553 -4.041 -3.128 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.429 -5.126 -2.275 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.776 -2.849 -1.555 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.758 -1.776 -2.581 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.513 -2.647 -1.225 1.00 2.00 H new ATOM 490 N GLN A 31 -5.151 -3.734 -6.328 1.00 7.06 N ATOM 491 CA GLN A 31 -6.507 -3.694 -6.970 1.00 8.67 C ATOM 492 C GLN A 31 -6.821 -4.987 -7.757 1.00 10.90 C ATOM 493 O GLN A 31 -7.950 -5.529 -7.794 1.00 9.63 O ATOM 494 CB GLN A 31 -6.490 -2.445 -7.900 1.00 9.12 C ATOM 495 CG GLN A 31 -7.834 -2.153 -8.568 1.00 10.76 C ATOM 496 CD GLN A 31 -7.690 -1.238 -9.788 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.625 -0.729 -10.124 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.792 -1.149 -10.580 1.00 14.76 N ATOM 0 H GLN A 31 -4.517 -2.993 -6.626 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.294 -3.626 -6.219 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.188 -1.574 -7.318 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.735 -2.589 -8.673 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.297 -3.091 -8.873 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.503 -1.688 -7.844 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.669 -1.578 -10.284 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.742 -0.653 -11.470 1.00 14.76 H new ATOM 507 N ASP A 32 -5.774 -5.515 -8.416 1.00 10.93 N ATOM 508 CA ASP A 32 -5.820 -6.775 -9.160 1.00 14.01 C ATOM 509 C ASP A 32 -6.172 -7.995 -8.251 1.00 14.04 C ATOM 510 O ASP A 32 -6.942 -8.880 -8.550 1.00 13.39 O ATOM 511 CB ASP A 32 -4.505 -6.968 -10.037 1.00 18.01 C ATOM 512 CG ASP A 32 -4.483 -6.173 -11.305 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.534 -5.996 -11.958 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.378 -5.714 -11.706 1.00 26.29 O ATOM 0 H ASP A 32 -4.859 -5.066 -8.444 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.648 -6.720 -9.867 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.639 -6.693 -9.435 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.400 -8.025 -10.283 1.00 18.01 H new ATOM 519 N LYS A 33 -5.562 -7.974 -7.031 1.00 14.22 N ATOM 520 CA LYS A 33 -5.813 -9.040 -6.011 1.00 14.00 C ATOM 521 C LYS A 33 -7.103 -8.938 -5.174 1.00 12.37 C ATOM 522 O LYS A 33 -7.791 -9.947 -4.947 1.00 12.17 O ATOM 523 CB LYS A 33 -4.646 -9.060 -4.954 1.00 18.62 C ATOM 524 CG LYS A 33 -3.337 -9.718 -5.543 1.00 24.00 C ATOM 525 CD LYS A 33 -2.271 -9.904 -4.471 1.00 27.61 C ATOM 526 CE LYS A 33 -0.987 -10.548 -5.003 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.237 -11.985 -5.429 1.00 30.06 N ATOM 0 H LYS A 33 -4.908 -7.250 -6.733 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.897 -9.932 -6.632 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.429 -8.041 -4.632 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.965 -9.612 -4.070 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.582 -10.684 -5.985 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.943 -9.092 -6.344 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.030 -8.934 -4.035 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.675 -10.522 -3.669 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.611 -9.974 -5.850 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.216 -10.522 -4.233 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.335 -12.432 -5.690 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.669 -12.510 -4.642 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.879 -11.998 -6.247 1.00 30.06 H new ATOM 541 N GLU A 34 -7.397 -7.703 -4.649 1.00 10.11 N ATOM 542 CA GLU A 34 -8.345 -7.401 -3.622 1.00 10.07 C ATOM 543 C GLU A 34 -9.572 -6.632 -4.091 1.00 9.32 C ATOM 544 O GLU A 34 -10.526 -6.522 -3.353 1.00 11.61 O ATOM 545 CB GLU A 34 -7.722 -6.654 -2.472 1.00 14.77 C ATOM 546 CG GLU A 34 -6.720 -7.453 -1.574 1.00 18.75 C ATOM 547 CD GLU A 34 -7.338 -8.706 -0.965 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.354 -9.821 -1.528 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.831 -8.567 0.172 1.00 21.95 O ATOM 0 H GLU A 34 -6.923 -6.864 -4.983 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.682 -8.385 -3.295 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.200 -5.785 -2.874 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.524 -6.279 -1.836 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.852 -7.735 -2.170 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.361 -6.805 -0.774 1.00 18.75 H new ATOM 556 N GLY A 35 -9.645 -6.096 -5.326 1.00 7.22 N ATOM 557 CA GLY A 35 -10.831 -5.408 -5.841 1.00 6.29 C ATOM 558 C GLY A 35 -11.009 -3.951 -5.461 1.00 6.93 C ATOM 559 O GLY A 35 -12.026 -3.413 -5.835 1.00 7.41 O ATOM 0 H GLY A 35 -8.874 -6.132 -5.993 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.813 -5.473 -6.929 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.711 -5.955 -5.503 1.00 6.29 H new ATOM 563 N ILE A 36 -10.067 -3.327 -4.802 1.00 5.86 N ATOM 564 CA ILE A 36 -10.284 -2.023 -4.243 1.00 6.07 C ATOM 565 C ILE A 36 -9.611 -0.955 -5.082 1.00 6.36 C ATOM 566 O ILE A 36 -8.408 -1.062 -5.231 1.00 6.18 O ATOM 567 CB ILE A 36 -9.676 -1.944 -2.802 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.185 -3.161 -2.006 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.003 -0.621 -2.155 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.534 -3.240 -0.578 1.00 9.49 C ATOM 0 H ILE A 36 -9.135 -3.708 -4.640 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.361 -1.855 -4.218 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.587 -1.987 -2.832 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.269 -3.103 -1.908 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.963 -4.075 -2.558 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.571 -0.588 -1.155 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.590 0.190 -2.755 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.085 -0.507 -2.087 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.920 -4.112 -0.050 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.452 -3.324 -0.676 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.778 -2.338 -0.016 1.00 9.49 H new ATOM 582 N PRO A 37 -10.299 -0.033 -5.760 1.00 8.65 N ATOM 583 CA PRO A 37 -9.639 1.115 -6.482 1.00 9.18 C ATOM 584 C PRO A 37 -8.599 1.839 -5.739 1.00 9.85 C ATOM 585 O PRO A 37 -8.838 1.959 -4.565 1.00 8.51 O ATOM 586 CB PRO A 37 -10.838 2.069 -6.792 1.00 11.42 C ATOM 587 CG PRO A 37 -12.068 1.133 -6.792 1.00 9.27 C ATOM 588 CD PRO A 37 -11.742 0.063 -5.744 1.00 8.33 C ATOM 0 HA PRO A 37 -9.093 0.739 -7.347 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.931 2.851 -6.039 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.714 2.566 -7.754 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.978 1.675 -6.535 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.228 0.689 -7.775 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.110 0.348 -4.758 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.206 -0.891 -5.994 1.00 8.33 H new ATOM 596 N PRO A 38 -7.463 2.311 -6.234 1.00 8.71 N ATOM 597 CA PRO A 38 -6.426 3.075 -5.466 1.00 9.08 C ATOM 598 C PRO A 38 -6.946 4.346 -4.813 1.00 9.28 C ATOM 599 O PRO A 38 -6.372 4.859 -3.882 1.00 6.50 O ATOM 600 CB PRO A 38 -5.381 3.355 -6.511 1.00 10.31 C ATOM 601 CG PRO A 38 -5.393 2.071 -7.395 1.00 10.81 C ATOM 602 CD PRO A 38 -6.845 1.553 -7.366 1.00 12.00 C ATOM 0 HA PRO A 38 -6.053 2.511 -4.611 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.624 4.244 -7.093 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.402 3.524 -6.063 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.078 2.295 -8.414 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.703 1.322 -7.006 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.359 1.747 -8.307 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.884 0.477 -7.197 1.00 12.00 H new ATOM 610 N ASP A 39 -8.052 4.892 -5.290 1.00 11.20 N ATOM 611 CA ASP A 39 -8.703 6.069 -4.751 1.00 14.96 C ATOM 612 C ASP A 39 -9.369 5.746 -3.406 1.00 13.99 C ATOM 613 O ASP A 39 -9.466 6.515 -2.486 1.00 13.75 O ATOM 614 CB ASP A 39 -9.716 6.624 -5.774 1.00 24.16 C ATOM 615 CG ASP A 39 -9.034 7.110 -6.989 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.150 7.988 -6.841 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.420 6.770 -8.154 1.00 34.22 O ATOM 0 H ASP A 39 -8.540 4.508 -6.099 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.956 6.841 -4.566 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.431 5.846 -6.041 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.284 7.437 -5.323 1.00 24.16 H new ATOM 622 N GLN A 40 -9.705 4.437 -3.153 1.00 11.60 N ATOM 623 CA GLN A 40 -10.323 3.949 -1.930 1.00 10.76 C ATOM 624 C GLN A 40 -9.374 3.142 -1.054 1.00 8.01 C ATOM 625 O GLN A 40 -9.673 2.556 0.022 1.00 8.96 O ATOM 626 CB GLN A 40 -11.506 2.979 -2.247 1.00 11.14 C ATOM 627 CG GLN A 40 -12.740 3.726 -2.872 1.00 14.85 C ATOM 628 CD GLN A 40 -13.886 2.733 -3.017 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.257 2.393 -4.138 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.531 2.426 -1.854 1.00 18.16 N ATOM 0 H GLN A 40 -9.537 3.694 -3.832 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.645 4.852 -1.411 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.165 2.207 -2.936 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.815 2.475 -1.331 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.040 4.559 -2.236 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.477 4.145 -3.843 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.155 2.748 -0.962 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.389 1.874 -1.877 1.00 18.16 H new ATOM 639 N GLN A 41 -8.072 3.210 -1.310 1.00 6.52 N ATOM 640 CA GLN A 41 -7.109 2.418 -0.581 1.00 3.87 C ATOM 641 C GLN A 41 -6.213 3.367 0.248 1.00 4.79 C ATOM 642 O GLN A 41 -5.412 4.087 -0.310 1.00 6.34 O ATOM 643 CB GLN A 41 -6.153 1.606 -1.535 1.00 4.20 C ATOM 644 CG GLN A 41 -6.673 0.242 -2.114 1.00 3.20 C ATOM 645 CD GLN A 41 -5.523 -0.396 -2.893 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.412 -0.596 -2.422 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.760 -0.847 -4.201 1.00 7.13 N ATOM 0 H GLN A 41 -7.665 3.813 -2.025 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.670 1.719 0.039 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.896 2.249 -2.376 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.229 1.407 -0.992 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.002 -0.415 -1.309 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.533 0.405 -2.764 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.672 -0.701 -4.633 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.020 -1.320 -4.719 1.00 7.13 H new ATOM 656 N ARG A 42 -6.260 3.304 1.579 1.00 5.73 N ATOM 657 CA ARG A 42 -5.411 4.018 2.520 1.00 6.97 C ATOM 658 C ARG A 42 -4.266 3.177 3.126 1.00 7.15 C ATOM 659 O ARG A 42 -4.518 2.289 3.893 1.00 7.33 O ATOM 660 CB ARG A 42 -6.256 4.733 3.646 1.00 13.23 C ATOM 661 CG ARG A 42 -5.398 5.643 4.486 1.00 21.27 C ATOM 662 CD ARG A 42 -6.248 6.109 5.661 1.00 26.14 C ATOM 663 NE ARG A 42 -5.314 6.972 6.475 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.559 7.209 7.807 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.566 6.662 8.457 1.00 35.30 N ATOM 666 NH2 ARG A 42 -4.821 8.152 8.467 1.00 36.39 N ATOM 0 H ARG A 42 -6.940 2.711 2.056 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.916 4.781 1.919 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.060 5.309 3.188 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.724 3.983 4.283 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.510 5.117 4.838 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.052 6.495 3.900 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.118 6.672 5.324 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.620 5.266 6.243 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.493 7.384 6.032 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.205 6.032 7.971 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.707 6.868 9.446 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -4.097 8.672 7.971 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -4.995 8.336 9.455 1.00 36.39 H new ATOM 680 N LEU A 43 -3.049 3.453 2.688 1.00 4.65 N ATOM 681 CA LEU A 43 -1.934 2.633 3.150 1.00 3.51 C ATOM 682 C LEU A 43 -1.115 3.412 4.164 1.00 5.56 C ATOM 683 O LEU A 43 -0.666 4.484 3.900 1.00 4.19 O ATOM 684 CB LEU A 43 -1.024 2.005 2.028 1.00 3.74 C ATOM 685 CG LEU A 43 -1.738 1.201 0.988 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.785 0.959 -0.189 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.262 -0.133 1.495 1.00 6.41 C ATOM 0 H LEU A 43 -2.809 4.204 2.041 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.390 1.760 3.616 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.484 2.811 1.531 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.279 1.368 2.505 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.612 1.778 0.685 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.294 0.373 -0.955 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.476 1.916 -0.610 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.093 0.415 0.160 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.767 -0.658 0.684 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.430 -0.738 1.855 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.965 0.038 2.310 1.00 6.41 H new ATOM 699 N ILE A 44 -1.075 2.795 5.346 1.00 4.58 N ATOM 700 CA ILE A 44 -0.460 3.518 6.472 1.00 5.55 C ATOM 701 C ILE A 44 0.733 2.696 6.990 1.00 5.46 C ATOM 702 O ILE A 44 0.670 1.492 7.268 1.00 6.04 O ATOM 703 CB ILE A 44 -1.430 3.611 7.701 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.914 4.006 7.243 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.957 4.597 8.818 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.906 4.014 8.437 1.00 13.90 C ATOM 0 H ILE A 44 -1.433 1.861 5.548 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.192 4.510 6.107 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.424 2.611 8.135 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.900 4.991 6.776 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.261 3.301 6.488 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.684 4.602 9.631 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.012 4.276 9.200 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.870 5.601 8.404 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.900 4.287 8.082 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.941 3.022 8.888 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.575 4.739 9.181 1.00 13.90 H new ATOM 718 N PHE A 45 1.876 3.319 7.245 1.00 6.75 N ATOM 719 CA PHE A 45 3.047 2.697 7.834 1.00 4.70 C ATOM 720 C PHE A 45 3.829 3.689 8.605 1.00 6.34 C ATOM 721 O PHE A 45 3.869 4.874 8.276 1.00 5.45 O ATOM 722 CB PHE A 45 3.821 1.905 6.715 1.00 5.51 C ATOM 723 CG PHE A 45 5.303 1.471 6.970 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.413 2.344 7.006 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.555 0.134 7.063 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.747 1.977 7.127 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.913 -0.259 7.359 1.00 6.68 C ATOM 728 CZ PHE A 45 7.986 0.634 7.389 1.00 6.84 C ATOM 0 H PHE A 45 2.015 4.308 7.038 1.00 6.75 H new ATOM 0 HA PHE A 45 2.780 1.950 8.581 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.249 1.004 6.496 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.809 2.517 5.813 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.204 3.401 6.932 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.774 -0.598 6.922 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.550 2.692 7.024 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.109 -1.300 7.569 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.984 0.287 7.612 1.00 6.84 H new ATOM 738 N ALA A 46 4.487 3.248 9.698 1.00 6.53 N ATOM 739 CA ALA A 46 5.348 4.057 10.553 1.00 7.15 C ATOM 740 C ALA A 46 4.936 5.495 10.802 1.00 9.00 C ATOM 741 O ALA A 46 5.631 6.443 10.490 1.00 11.15 O ATOM 742 CB ALA A 46 6.850 4.066 10.067 1.00 8.99 C ATOM 0 H ALA A 46 4.423 2.280 10.012 1.00 6.53 H new ATOM 0 HA ALA A 46 5.232 3.537 11.504 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.446 4.683 10.739 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.239 3.048 10.068 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.903 4.473 9.057 1.00 8.99 H new ATOM 748 N GLY A 47 3.798 5.685 11.449 1.00 9.35 N ATOM 749 CA GLY A 47 3.314 6.971 11.947 1.00 11.68 C ATOM 750 C GLY A 47 2.733 7.833 10.870 1.00 11.14 C ATOM 751 O GLY A 47 2.502 8.963 11.158 1.00 13.93 O ATOM 0 H GLY A 47 3.157 4.918 11.652 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.558 6.797 12.713 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.137 7.502 12.426 1.00 11.68 H new ATOM 755 N LYS A 48 2.507 7.301 9.626 1.00 10.47 N ATOM 756 CA LYS A 48 2.084 8.172 8.479 1.00 8.82 C ATOM 757 C LYS A 48 1.447 7.379 7.405 1.00 7.68 C ATOM 758 O LYS A 48 1.702 6.201 7.118 1.00 6.47 O ATOM 759 CB LYS A 48 3.340 8.804 7.773 1.00 9.74 C ATOM 760 CG LYS A 48 4.364 7.875 7.142 1.00 14.14 C ATOM 761 CD LYS A 48 5.713 8.585 6.801 1.00 16.32 C ATOM 762 CE LYS A 48 6.460 9.029 8.026 1.00 20.04 C ATOM 763 NZ LYS A 48 7.231 7.925 8.590 1.00 23.92 N ATOM 0 H LYS A 48 2.606 6.312 9.397 1.00 10.47 H new ATOM 0 HA LYS A 48 1.409 8.914 8.906 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.979 9.476 6.995 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.859 9.418 8.509 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.559 7.045 7.821 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.945 7.449 6.231 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.341 7.906 6.224 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.514 9.450 6.168 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.127 9.853 7.772 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.758 9.406 8.770 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.061 8.301 9.090 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.637 7.392 9.257 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.545 7.294 7.825 1.00 23.92 H new ATOM 777 N GLN A 49 0.682 8.118 6.593 1.00 8.89 N ATOM 778 CA GLN A 49 0.074 7.544 5.426 1.00 7.18 C ATOM 779 C GLN A 49 0.999 7.686 4.194 1.00 8.23 C ATOM 780 O GLN A 49 1.716 8.719 4.036 1.00 9.70 O ATOM 781 CB GLN A 49 -1.270 8.307 5.233 1.00 11.67 C ATOM 782 CG GLN A 49 -2.041 7.893 3.949 1.00 15.82 C ATOM 783 CD GLN A 49 -3.261 8.758 3.989 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.998 8.733 4.975 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.497 9.469 2.889 1.00 20.67 N ATOM 0 H GLN A 49 0.481 9.108 6.736 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.099 6.474 5.543 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.906 8.132 6.101 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.068 9.378 5.197 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.451 8.071 3.050 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.298 6.834 3.957 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.838 9.439 2.111 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.337 10.044 2.824 1.00 20.67 H new ATOM 794 N LEU A 50 0.966 6.665 3.328 1.00 6.51 N ATOM 795 CA LEU A 50 1.822 6.602 2.188 1.00 7.41 C ATOM 796 C LEU A 50 1.236 7.223 0.924 1.00 8.27 C ATOM 797 O LEU A 50 0.172 6.950 0.430 1.00 8.34 O ATOM 798 CB LEU A 50 2.304 5.124 1.946 1.00 7.13 C ATOM 799 CG LEU A 50 2.745 4.361 3.224 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.137 2.945 2.758 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.936 5.012 3.944 1.00 9.11 C ATOM 0 H LEU A 50 0.335 5.869 3.419 1.00 6.51 H new ATOM 0 HA LEU A 50 2.686 7.224 2.422 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.497 4.568 1.469 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.138 5.140 1.244 1.00 7.13 H new ATOM 0 HG LEU A 50 1.927 4.365 3.945 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.458 2.355 3.617 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.278 2.465 2.290 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.953 3.012 2.038 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.191 4.427 4.828 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.793 5.046 3.272 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.670 6.026 4.244 1.00 9.11 H new ATOM 813 N GLU A 51 1.969 8.219 0.362 1.00 9.43 N ATOM 814 CA GLU A 51 1.533 9.037 -0.764 1.00 11.90 C ATOM 815 C GLU A 51 1.805 8.476 -2.214 1.00 11.49 C ATOM 816 O GLU A 51 2.848 8.058 -2.621 1.00 9.88 O ATOM 817 CB GLU A 51 1.964 10.410 -0.466 1.00 16.56 C ATOM 818 CG GLU A 51 1.352 11.360 -1.527 1.00 26.06 C ATOM 819 CD GLU A 51 1.856 12.782 -1.334 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.049 13.114 -1.423 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.025 13.600 -0.916 1.00 32.13 O ATOM 0 H GLU A 51 2.899 8.469 0.698 1.00 9.43 H new ATOM 0 HA GLU A 51 0.446 9.011 -0.844 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.640 10.700 0.534 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.052 10.477 -0.480 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.610 11.010 -2.527 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.265 11.342 -1.454 1.00 26.06 H new ATOM 828 N ASP A 52 0.686 8.391 -3.023 1.00 12.71 N ATOM 829 CA ASP A 52 0.445 7.702 -4.263 1.00 16.56 C ATOM 830 C ASP A 52 1.485 8.098 -5.295 1.00 15.83 C ATOM 831 O ASP A 52 1.962 7.243 -6.028 1.00 17.21 O ATOM 832 CB ASP A 52 -0.959 8.082 -4.720 1.00 21.05 C ATOM 833 CG ASP A 52 -1.966 7.850 -3.608 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.977 8.638 -2.627 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.766 6.902 -3.606 1.00 25.82 O ATOM 0 H ASP A 52 -0.159 8.888 -2.741 1.00 12.71 H new ATOM 0 HA ASP A 52 0.519 6.622 -4.134 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.978 9.129 -5.022 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.234 7.493 -5.595 1.00 21.05 H new ATOM 840 N GLY A 53 1.934 9.353 -5.281 1.00 15.00 N ATOM 841 CA GLY A 53 2.900 9.888 -6.301 1.00 11.77 C ATOM 842 C GLY A 53 4.340 9.962 -5.904 1.00 11.10 C ATOM 843 O GLY A 53 5.099 10.820 -6.404 1.00 11.25 O ATOM 0 H GLY A 53 1.655 10.039 -4.579 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.827 9.267 -7.194 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.575 10.890 -6.582 1.00 11.77 H new ATOM 847 N ARG A 54 4.826 9.047 -4.989 1.00 8.53 N ATOM 848 CA ARG A 54 6.258 8.940 -4.760 1.00 9.05 C ATOM 849 C ARG A 54 6.549 7.508 -4.232 1.00 8.96 C ATOM 850 O ARG A 54 5.634 6.680 -4.095 1.00 11.60 O ATOM 851 CB ARG A 54 6.741 10.081 -3.701 1.00 7.97 C ATOM 852 CG ARG A 54 5.901 10.198 -2.436 1.00 9.62 C ATOM 853 CD ARG A 54 6.584 11.011 -1.369 1.00 12.20 C ATOM 854 NE ARG A 54 5.433 11.735 -0.731 1.00 18.23 N ATOM 855 CZ ARG A 54 5.491 12.194 0.473 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.509 12.040 1.240 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.445 12.930 0.954 1.00 23.38 N ATOM 0 H ARG A 54 4.249 8.413 -4.436 1.00 8.53 H new ATOM 0 HA ARG A 54 6.814 9.104 -5.683 1.00 9.05 H new ATOM 0 HB2 ARG A 54 7.772 9.873 -3.414 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.740 11.046 -4.208 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.942 10.656 -2.680 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.689 9.201 -2.050 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.114 10.381 -0.655 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.315 11.701 -1.790 1.00 12.20 H new ATOM 0 HE ARG A 54 4.576 11.868 -1.268 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.328 11.532 0.905 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.499 12.425 2.184 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.633 13.109 0.363 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.476 13.300 1.904 1.00 23.38 H new ATOM 871 N THR A 55 7.870 7.130 -4.096 1.00 9.05 N ATOM 872 CA THR A 55 8.288 5.779 -4.224 1.00 9.03 C ATOM 873 C THR A 55 8.419 5.003 -2.918 1.00 8.15 C ATOM 874 O THR A 55 8.388 5.631 -1.853 1.00 5.91 O ATOM 875 CB THR A 55 9.616 5.569 -4.994 1.00 11.15 C ATOM 876 OG1 THR A 55 10.820 5.969 -4.325 1.00 11.95 O ATOM 877 CG2 THR A 55 9.592 6.305 -6.376 1.00 11.71 C ATOM 0 H THR A 55 8.627 7.784 -3.897 1.00 9.05 H new ATOM 0 HA THR A 55 7.453 5.384 -4.803 1.00 9.03 H new ATOM 0 HB THR A 55 9.656 4.484 -5.093 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.967 6.928 -4.462 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.537 6.139 -6.893 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.774 5.915 -6.982 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.448 7.374 -6.217 1.00 11.71 H new ATOM 885 N LEU A 56 8.566 3.632 -2.977 1.00 6.91 N ATOM 886 CA LEU A 56 8.877 2.769 -1.849 1.00 8.29 C ATOM 887 C LEU A 56 10.201 3.063 -1.161 1.00 8.05 C ATOM 888 O LEU A 56 10.392 2.991 0.041 1.00 10.17 O ATOM 889 CB LEU A 56 8.812 1.268 -2.273 1.00 6.60 C ATOM 890 CG LEU A 56 7.409 0.692 -2.546 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.563 -0.625 -3.358 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.620 0.378 -1.295 1.00 8.64 C ATOM 0 H LEU A 56 8.462 3.114 -3.850 1.00 6.91 H new ATOM 0 HA LEU A 56 8.109 2.987 -1.106 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.414 1.141 -3.173 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.280 0.671 -1.490 1.00 6.60 H new ATOM 0 HG LEU A 56 6.859 1.460 -3.090 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.578 -1.046 -3.559 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.067 -0.414 -4.301 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.152 -1.340 -2.783 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.645 -0.023 -1.571 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.160 -0.358 -0.700 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.486 1.289 -0.711 1.00 8.64 H new ATOM 904 N SER A 57 11.161 3.481 -2.063 1.00 8.92 N ATOM 905 CA SER A 57 12.441 3.868 -1.595 1.00 9.00 C ATOM 906 C SER A 57 12.327 5.159 -0.811 1.00 9.44 C ATOM 907 O SER A 57 12.819 5.260 0.315 1.00 10.91 O ATOM 908 CB SER A 57 13.334 4.219 -2.722 1.00 10.32 C ATOM 909 OG SER A 57 14.638 4.531 -2.259 1.00 13.59 O ATOM 0 H SER A 57 11.029 3.539 -3.073 1.00 8.92 H new ATOM 0 HA SER A 57 12.825 3.034 -1.008 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.383 3.387 -3.425 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.923 5.071 -3.264 1.00 10.32 H new ATOM 0 HG SER A 57 15.210 4.758 -3.021 1.00 13.59 H new ATOM 915 N ASP A 58 11.612 6.173 -1.335 1.00 9.11 N ATOM 916 CA ASP A 58 11.374 7.401 -0.641 1.00 7.91 C ATOM 917 C ASP A 58 10.694 7.398 0.690 1.00 9.12 C ATOM 918 O ASP A 58 10.531 8.408 1.307 1.00 8.61 O ATOM 919 CB ASP A 58 10.570 8.401 -1.551 1.00 8.41 C ATOM 920 CG ASP A 58 11.246 8.753 -2.828 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.293 9.378 -2.781 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.638 8.490 -3.886 1.00 11.70 O ATOM 0 H ASP A 58 11.190 6.138 -2.263 1.00 9.11 H new ATOM 0 HA ASP A 58 12.401 7.690 -0.419 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.597 7.964 -1.778 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.385 9.316 -0.988 1.00 8.41 H new ATOM 927 N TYR A 59 10.152 6.242 1.130 1.00 7.97 N ATOM 928 CA TYR A 59 9.461 6.123 2.351 1.00 8.45 C ATOM 929 C TYR A 59 10.161 5.202 3.336 1.00 10.98 C ATOM 930 O TYR A 59 9.639 4.863 4.383 1.00 12.95 O ATOM 931 CB TYR A 59 8.056 5.472 1.996 1.00 7.94 C ATOM 932 CG TYR A 59 6.995 6.537 1.854 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.570 7.161 3.092 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.398 6.908 0.642 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.662 8.203 3.064 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.443 7.970 0.610 1.00 6.52 C ATOM 937 CZ TYR A 59 5.136 8.603 1.817 1.00 6.76 C ATOM 938 OH TYR A 59 4.143 9.614 1.880 1.00 7.63 O ATOM 0 H TYR A 59 10.205 5.369 0.606 1.00 7.97 H new ATOM 0 HA TYR A 59 9.390 7.106 2.818 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.136 4.905 1.068 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.769 4.767 2.776 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.963 6.812 4.036 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.660 6.391 -0.269 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.362 8.699 3.975 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.975 8.273 -0.315 1.00 6.52 H new ATOM 0 HH TYR A 59 4.520 10.417 2.296 1.00 7.63 H new ATOM 948 N ASN A 60 11.363 4.733 3.036 1.00 12.38 N ATOM 949 CA ASN A 60 12.114 3.863 3.896 1.00 13.94 C ATOM 950 C ASN A 60 11.409 2.540 4.051 1.00 14.16 C ATOM 951 O ASN A 60 11.275 1.982 5.162 1.00 14.26 O ATOM 952 CB ASN A 60 12.658 4.432 5.196 1.00 19.23 C ATOM 953 CG ASN A 60 13.538 5.599 4.786 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.520 5.479 4.003 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.162 6.787 5.178 1.00 24.09 N ATOM 0 H ASN A 60 11.845 4.958 2.166 1.00 12.38 H new ATOM 0 HA ASN A 60 13.053 3.711 3.363 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.850 4.760 5.850 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.229 3.683 5.745 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.662 7.614 4.851 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.369 6.888 5.811 1.00 24.09 H new ATOM 962 N ILE A 61 10.911 1.971 2.915 1.00 11.08 N ATOM 963 CA ILE A 61 10.210 0.719 2.912 1.00 11.78 C ATOM 964 C ILE A 61 11.192 -0.315 2.391 1.00 13.74 C ATOM 965 O ILE A 61 12.100 -0.036 1.578 1.00 14.60 O ATOM 966 CB ILE A 61 8.843 0.776 2.206 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.998 1.848 2.908 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.099 -0.599 2.170 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.730 2.229 2.120 1.00 11.42 C ATOM 0 H ILE A 61 11.002 2.394 1.991 1.00 11.08 H new ATOM 0 HA ILE A 61 9.899 0.432 3.917 1.00 11.78 H new ATOM 0 HB ILE A 61 9.005 1.032 1.159 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.710 1.487 3.895 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.606 2.740 3.060 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.144 -0.483 1.658 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.709 -1.329 1.638 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.925 -0.945 3.189 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.176 2.991 2.669 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.013 2.619 1.142 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.103 1.347 1.991 1.00 11.42 H new ATOM 981 N GLN A 62 11.154 -1.528 3.007 1.00 13.97 N ATOM 982 CA GLN A 62 12.165 -2.525 2.803 1.00 15.52 C ATOM 983 C GLN A 62 11.533 -3.884 2.662 1.00 13.94 C ATOM 984 O GLN A 62 10.338 -4.052 2.900 1.00 12.15 O ATOM 985 CB GLN A 62 13.254 -2.542 3.877 1.00 19.53 C ATOM 986 CG GLN A 62 12.791 -2.901 5.294 1.00 26.38 C ATOM 987 CD GLN A 62 13.880 -2.962 6.337 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.087 -2.101 7.177 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.659 -4.036 6.278 1.00 32.71 N ATOM 0 H GLN A 62 10.414 -1.811 3.649 1.00 13.97 H new ATOM 0 HA GLN A 62 12.674 -2.255 1.878 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.023 -3.253 3.576 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.723 -1.559 3.907 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.049 -2.169 5.611 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.290 -3.868 5.260 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.485 -4.755 5.575 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.432 -4.142 6.935 1.00 32.71 H new ATOM 998 N LYS A 63 12.351 -4.876 2.217 1.00 11.73 N ATOM 999 CA LYS A 63 11.829 -6.215 2.069 1.00 11.97 C ATOM 1000 C LYS A 63 11.319 -6.834 3.382 1.00 10.41 C ATOM 1001 O LYS A 63 11.922 -6.695 4.434 1.00 9.59 O ATOM 1002 CB LYS A 63 12.865 -7.083 1.359 1.00 13.73 C ATOM 1003 CG LYS A 63 12.407 -8.598 1.258 1.00 16.98 C ATOM 1004 CD LYS A 63 13.198 -9.474 0.268 1.00 20.19 C ATOM 1005 CE LYS A 63 13.142 -11.012 0.525 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.940 -11.699 -0.508 1.00 25.97 N ATOM 0 H LYS A 63 13.333 -4.759 1.969 1.00 11.73 H new ATOM 0 HA LYS A 63 10.934 -6.159 1.449 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.041 -6.691 0.357 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.813 -7.026 1.894 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.480 -9.046 2.249 1.00 16.98 H new ATOM 0 HG3 LYS A 63 11.355 -8.621 0.974 1.00 16.98 H new ATOM 0 HD2 LYS A 63 12.825 -9.279 -0.738 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.241 -9.159 0.288 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.531 -11.243 1.517 1.00 23.42 H new ATOM 0 HE3 LYS A 63 12.110 -11.361 0.498 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.909 -12.726 -0.345 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.549 -11.486 -1.448 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.926 -11.371 -0.461 1.00 25.97 H new ATOM 1020 N GLU A 64 10.162 -7.493 3.361 1.00 10.04 N ATOM 1021 CA GLU A 64 9.510 -8.161 4.432 1.00 10.94 C ATOM 1022 C GLU A 64 8.917 -7.247 5.489 1.00 9.74 C ATOM 1023 O GLU A 64 8.541 -7.671 6.584 1.00 9.42 O ATOM 1024 CB GLU A 64 10.319 -9.368 5.013 1.00 18.31 C ATOM 1025 CG GLU A 64 10.561 -10.531 4.000 1.00 24.16 C ATOM 1026 CD GLU A 64 11.404 -11.672 4.516 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.591 -11.414 4.963 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.891 -12.814 4.566 1.00 31.72 O ATOM 0 H GLU A 64 9.623 -7.566 2.498 1.00 10.04 H new ATOM 0 HA GLU A 64 8.635 -8.611 3.963 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.284 -9.006 5.368 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.788 -9.762 5.879 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.594 -10.927 3.689 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.039 -10.122 3.110 1.00 24.16 H new ATOM 1035 N SER A 65 8.689 -5.964 5.132 1.00 6.85 N ATOM 1036 CA SER A 65 7.835 -5.028 5.885 1.00 6.90 C ATOM 1037 C SER A 65 6.400 -5.424 5.814 1.00 4.72 C ATOM 1038 O SER A 65 5.906 -5.834 4.745 1.00 3.91 O ATOM 1039 CB SER A 65 7.904 -3.535 5.327 1.00 7.28 C ATOM 1040 OG SER A 65 9.217 -3.018 5.270 1.00 10.56 O ATOM 0 H SER A 65 9.102 -5.546 4.298 1.00 6.85 H new ATOM 0 HA SER A 65 8.217 -5.067 6.905 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.467 -3.507 4.329 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.295 -2.890 5.960 1.00 7.28 H new ATOM 0 HG SER A 65 9.689 -3.408 4.505 1.00 10.56 H new ATOM 1046 N THR A 66 5.613 -5.127 6.867 1.00 4.48 N ATOM 1047 CA THR A 66 4.163 -5.195 6.895 1.00 3.80 C ATOM 1048 C THR A 66 3.596 -3.802 6.785 1.00 4.60 C ATOM 1049 O THR A 66 3.916 -2.929 7.573 1.00 5.33 O ATOM 1050 CB THR A 66 3.634 -5.778 8.178 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.069 -7.139 8.421 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.111 -5.816 8.296 1.00 3.40 C ATOM 0 H THR A 66 6.004 -4.820 7.758 1.00 4.48 H new ATOM 0 HA THR A 66 3.866 -5.833 6.063 1.00 3.80 H new ATOM 0 HB THR A 66 4.049 -5.084 8.909 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.693 -7.456 9.268 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.831 -6.253 9.255 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.716 -4.802 8.230 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.698 -6.420 7.488 1.00 3.40 H new ATOM 1060 N LEU A 67 2.651 -3.548 5.861 1.00 4.17 N ATOM 1061 CA LEU A 67 2.072 -2.229 5.621 1.00 3.85 C ATOM 1062 C LEU A 67 0.588 -2.359 5.975 1.00 3.80 C ATOM 1063 O LEU A 67 -0.049 -3.362 5.637 1.00 5.54 O ATOM 1064 CB LEU A 67 2.217 -1.740 4.159 1.00 7.18 C ATOM 1065 CG LEU A 67 3.695 -1.643 3.737 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.957 -2.539 2.561 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.953 -0.198 3.420 1.00 11.66 C ATOM 0 H LEU A 67 2.267 -4.272 5.254 1.00 4.17 H new ATOM 0 HA LEU A 67 2.599 -1.490 6.224 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.692 -2.424 3.492 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.743 -0.764 4.052 1.00 7.18 H new ATOM 0 HG LEU A 67 4.368 -1.975 4.527 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.005 -2.462 2.271 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.730 -3.570 2.832 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.326 -2.236 1.725 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.992 -0.072 3.114 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.295 0.120 2.611 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.760 0.409 4.305 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.070 -1.376 6.620 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.447 -1.408 6.877 1.00 4.17 C ATOM 1081 C HIS A 68 -2.202 -1.134 5.604 1.00 5.32 C ATOM 1082 O HIS A 68 -1.980 -0.136 4.891 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.889 -0.330 7.899 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.229 -0.476 9.182 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.121 -0.332 9.354 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.697 -0.910 10.383 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.419 -0.684 10.606 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.662 -1.045 11.301 1.00 16.30 N ATOM 0 H HIS A 68 0.390 -0.535 6.968 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.662 -2.396 7.283 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.674 0.659 7.494 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.968 -0.389 8.041 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.784 -0.011 8.648 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.735 -1.122 10.595 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.420 -0.678 11.011 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.259 -1.941 5.373 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.214 -1.695 4.304 1.00 3.97 C ATOM 1098 C LEU A 69 -5.529 -1.242 4.921 1.00 5.07 C ATOM 1099 O LEU A 69 -6.233 -2.135 5.435 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.390 -2.791 3.189 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.597 -2.670 2.256 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.851 -1.300 1.561 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.606 -3.792 1.155 1.00 9.96 C ATOM 0 H LEU A 69 -3.462 -2.774 5.926 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.769 -0.903 3.702 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.490 -2.791 2.574 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.442 -3.763 3.680 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.416 -2.785 2.966 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.739 -1.370 0.933 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.001 -0.530 2.318 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.991 -1.040 0.945 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.480 -3.667 0.516 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.701 -3.717 0.552 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.643 -4.771 1.633 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.883 0.029 4.887 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.209 0.499 5.278 1.00 6.26 C ATOM 1117 C VAL A 70 -8.078 0.670 4.047 1.00 9.22 C ATOM 1118 O VAL A 70 -7.852 1.458 3.162 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.143 1.765 6.060 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.607 2.347 6.159 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.590 1.436 7.422 1.00 8.54 C ATOM 0 H VAL A 70 -5.256 0.775 4.585 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.654 -0.253 5.929 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.500 2.509 5.590 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.591 3.277 6.728 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.990 2.541 5.157 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.252 1.626 6.661 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.530 2.346 8.020 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.245 0.719 7.917 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.595 1.005 7.316 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.186 -0.163 4.032 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.363 0.070 3.183 1.00 16.06 C ATOM 1133 C LEU A 71 -11.152 1.285 3.525 1.00 18.09 C ATOM 1134 O LEU A 71 -11.624 1.445 4.671 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.227 -1.197 3.012 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.611 -1.038 2.301 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.398 -0.744 0.843 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.430 -2.336 2.369 1.00 19.57 C ATOM 0 H LEU A 71 -9.261 -0.999 4.612 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.954 0.301 2.199 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.644 -1.929 2.453 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.404 -1.619 4.001 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.141 -0.231 2.807 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.363 -0.634 0.349 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.829 0.179 0.737 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.847 -1.564 0.383 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.386 -2.190 1.865 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.880 -3.139 1.878 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.606 -2.601 3.412 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.239 2.212 2.540 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.961 3.505 2.593 1.00 25.83 C ATOM 1152 C ARG A 72 -13.256 3.510 1.763 1.00 27.74 C ATOM 1153 O ARG A 72 -13.334 2.957 0.672 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.979 4.743 2.237 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.505 6.150 2.524 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.393 7.192 2.631 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.025 8.572 2.746 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.581 9.650 2.140 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.400 9.651 1.495 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.301 10.753 2.230 1.00 35.02 N ATOM 0 H ARG A 72 -10.782 2.069 1.639 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.287 3.641 3.624 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.050 4.609 2.791 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.730 4.684 1.178 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.195 6.443 1.732 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.074 6.137 3.454 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.768 6.989 3.501 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.746 7.145 1.755 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.852 8.667 3.335 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.832 8.804 1.470 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.073 10.498 1.031 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.174 10.751 2.758 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.985 11.607 1.771 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.299 4.145 2.267 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.557 4.305 1.600 1.00 30.76 C ATOM 1176 C LEU A 73 -15.502 5.417 0.573 1.00 32.18 C ATOM 1177 O LEU A 73 -14.780 6.428 0.780 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.716 4.658 2.566 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.889 3.692 3.714 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.906 4.327 4.728 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.433 2.369 3.213 1.00 29.11 C ATOM 0 H LEU A 73 -14.281 4.577 3.191 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.746 3.338 1.133 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.545 5.656 2.970 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.646 4.699 1.999 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.928 3.508 4.193 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.051 3.650 5.570 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.514 5.277 5.090 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.860 4.495 4.229 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.552 1.683 4.052 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.400 2.530 2.736 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.739 1.940 2.490 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.351 5.372 -0.479 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.505 6.432 -1.401 1.00 35.33 C ATOM 1195 C ARG A 74 -16.809 7.711 -0.719 1.00 36.22 C ATOM 1196 O ARG A 74 -16.266 8.730 -1.178 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.543 6.064 -2.451 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.860 5.302 -3.550 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.853 5.208 -4.752 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.252 4.253 -5.754 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.542 4.587 -6.830 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.236 5.796 -7.215 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.088 3.599 -7.606 1.00 41.93 N ATOM 0 H ARG A 74 -16.943 4.566 -0.682 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.557 6.588 -1.916 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.334 5.460 -2.006 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.014 6.963 -2.849 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.942 5.806 -3.851 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.579 4.306 -3.207 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.828 4.852 -4.419 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.008 6.189 -5.201 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.404 3.258 -5.592 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.549 6.599 -6.670 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.684 5.937 -8.061 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.289 2.628 -7.366 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.540 3.815 -8.439 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.664 7.791 0.311 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.024 9.192 0.817 1.00 36.07 C ATOM 1219 C GLY A 75 -17.175 9.546 1.973 1.00 36.16 C ATOM 1220 O GLY A 75 -17.333 10.520 2.691 1.00 36.26 O ATOM 0 H GLY A 75 -18.101 7.006 0.794 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.888 9.922 0.019 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.075 9.225 1.104 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.228 8.650 2.298 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.358 8.661 3.449 1.00 36.19 C ATOM 1226 C GLY A 76 -14.268 9.724 3.511 1.00 36.20 C ATOM 1227 O GLY A 76 -14.338 10.755 2.819 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.243 9.458 4.190 1.00 0.00 O ATOM 0 H GLY A 76 -16.050 7.840 1.704 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.981 8.769 4.337 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.877 7.685 3.513 1.00 36.19 H new TER 1232 GLY A 76