USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 35 ASN : amide:sc= 0 X(o=0.098,f=0.092) USER MOD Set 1.2: A 37 THR OG1 : rot 58:sc= 0.0977 USER MOD Set 1.3: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0351 (180deg=-0.0351) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.0542 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0391) USER MOD Single : A 19 SER OG : rot 58:sc= 0.643 USER MOD Single : A 24 THR OG1 : rot 46:sc= 0.101 USER MOD Single : A 25 MET CE :methyl 151:sc=-0.000567 (180deg=-1.58) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00354 USER MOD Single : A 38 ASN : amide:sc= 0.0532 K(o=0.053,f=-0.9) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 165:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0133) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.533 5.298 6.083 1.00 53.35 N ATOM 2 CA MET A 1 1.571 5.083 5.082 1.00 43.54 C ATOM 3 C MET A 1 1.540 6.180 4.022 1.00 50.03 C ATOM 4 O MET A 1 0.588 6.957 3.947 1.00 51.01 O ATOM 5 CB MET A 1 1.398 3.714 4.421 1.00 15.51 C ATOM 6 CG MET A 1 2.711 3.059 4.027 1.00 21.44 C ATOM 7 SD MET A 1 2.751 2.571 2.292 1.00 43.11 S ATOM 8 CE MET A 1 4.507 2.670 1.953 1.00 3.40 C ATOM 0 H1 MET A 1 0.961 5.305 7.031 1.00 53.35 H new ATOM 0 H2 MET A 1 0.065 6.210 5.908 1.00 53.35 H new ATOM 0 H3 MET A 1 -0.168 4.532 6.026 1.00 53.35 H new ATOM 0 HA MET A 1 2.537 5.115 5.585 1.00 43.54 H new ATOM 0 HB2 MET A 1 0.863 3.055 5.105 1.00 15.51 H new ATOM 0 HB3 MET A 1 0.776 3.825 3.533 1.00 15.51 H new ATOM 0 HG2 MET A 1 3.531 3.750 4.225 1.00 21.44 H new ATOM 0 HG3 MET A 1 2.876 2.181 4.651 1.00 21.44 H new ATOM 0 HE1 MET A 1 4.693 2.396 0.915 1.00 3.40 H new ATOM 0 HE2 MET A 1 4.854 3.688 2.127 1.00 3.40 H new ATOM 0 HE3 MET A 1 5.044 1.986 2.610 1.00 3.40 H new ATOM 18 N ASP A 2 2.586 6.237 3.205 1.00 1.21 N ATOM 19 CA ASP A 2 2.678 7.238 2.149 1.00 52.52 C ATOM 20 C ASP A 2 2.143 6.688 0.830 1.00 21.13 C ATOM 21 O ASP A 2 1.618 5.576 0.779 1.00 51.40 O ATOM 22 CB ASP A 2 4.127 7.696 1.975 1.00 72.15 C ATOM 23 CG ASP A 2 4.678 8.361 3.221 1.00 72.24 C ATOM 24 OD1 ASP A 2 3.887 8.630 4.149 1.00 31.21 O ATOM 25 OD2 ASP A 2 5.900 8.611 3.268 1.00 41.33 O ATOM 0 H ASP A 2 3.382 5.601 3.254 1.00 1.21 H new ATOM 0 HA ASP A 2 2.068 8.093 2.439 1.00 52.52 H new ATOM 0 HB2 ASP A 2 4.748 6.837 1.720 1.00 72.15 H new ATOM 0 HB3 ASP A 2 4.187 8.392 1.138 1.00 72.15 H new ATOM 30 N GLU A 3 2.280 7.474 -0.233 1.00 10.54 N ATOM 31 CA GLU A 3 1.809 7.066 -1.550 1.00 75.55 C ATOM 32 C GLU A 3 2.418 7.940 -2.642 1.00 45.11 C ATOM 33 O GLU A 3 1.829 8.126 -3.708 1.00 22.45 O ATOM 34 CB GLU A 3 0.282 7.140 -1.616 1.00 74.30 C ATOM 35 CG GLU A 3 -0.367 5.873 -2.149 1.00 20.05 C ATOM 36 CD GLU A 3 -1.491 5.376 -1.261 1.00 32.42 C ATOM 37 OE1 GLU A 3 -1.219 5.041 -0.089 1.00 1.10 O ATOM 38 OE2 GLU A 3 -2.644 5.321 -1.739 1.00 2.34 O ATOM 0 H GLU A 3 2.713 8.397 -0.207 1.00 10.54 H new ATOM 0 HA GLU A 3 2.124 6.036 -1.716 1.00 75.55 H new ATOM 0 HB2 GLU A 3 -0.107 7.345 -0.619 1.00 74.30 H new ATOM 0 HB3 GLU A 3 -0.006 7.979 -2.249 1.00 74.30 H new ATOM 0 HG2 GLU A 3 -0.756 6.062 -3.150 1.00 20.05 H new ATOM 0 HG3 GLU A 3 0.389 5.093 -2.242 1.00 20.05 H new ATOM 45 N THR A 4 3.604 8.477 -2.369 1.00 72.31 N ATOM 46 CA THR A 4 4.294 9.333 -3.325 1.00 53.15 C ATOM 47 C THR A 4 5.769 9.476 -2.971 1.00 4.01 C ATOM 48 O THR A 4 6.197 10.508 -2.456 1.00 40.54 O ATOM 49 CB THR A 4 3.655 10.733 -3.389 1.00 13.21 C ATOM 50 OG1 THR A 4 3.041 11.049 -2.134 1.00 72.23 O ATOM 51 CG2 THR A 4 2.617 10.805 -4.499 1.00 62.32 C ATOM 0 H THR A 4 4.106 8.333 -1.493 1.00 72.31 H new ATOM 0 HA THR A 4 4.202 8.855 -4.300 1.00 53.15 H new ATOM 0 HB THR A 4 4.441 11.457 -3.602 1.00 13.21 H new ATOM 0 HG1 THR A 4 2.639 11.941 -2.182 1.00 72.23 H new ATOM 0 HG21 THR A 4 2.180 11.803 -4.524 1.00 62.32 H new ATOM 0 HG22 THR A 4 3.093 10.593 -5.456 1.00 62.32 H new ATOM 0 HG23 THR A 4 1.834 10.070 -4.313 1.00 62.32 H new ATOM 59 N GLY A 5 6.544 8.432 -3.250 1.00 44.31 N ATOM 60 CA GLY A 5 7.965 8.463 -2.954 1.00 72.20 C ATOM 61 C GLY A 5 8.538 7.079 -2.722 1.00 4.13 C ATOM 62 O GLY A 5 9.741 6.864 -2.872 1.00 63.33 O ATOM 0 H GLY A 5 6.214 7.566 -3.675 1.00 44.31 H new ATOM 0 HA2 GLY A 5 8.495 8.939 -3.779 1.00 72.20 H new ATOM 0 HA3 GLY A 5 8.136 9.077 -2.070 1.00 72.20 H new ATOM 66 N LYS A 6 7.677 6.138 -2.352 1.00 32.40 N ATOM 67 CA LYS A 6 8.103 4.767 -2.097 1.00 63.34 C ATOM 68 C LYS A 6 7.478 3.807 -3.104 1.00 64.44 C ATOM 69 O LYS A 6 6.256 3.718 -3.214 1.00 20.52 O ATOM 70 CB LYS A 6 7.724 4.349 -0.675 1.00 21.31 C ATOM 71 CG LYS A 6 8.749 3.443 -0.014 1.00 35.13 C ATOM 72 CD LYS A 6 8.092 2.469 0.950 1.00 71.41 C ATOM 73 CE LYS A 6 8.722 1.087 0.861 1.00 74.01 C ATOM 74 NZ LYS A 6 9.231 0.623 2.181 1.00 13.43 N ATOM 0 H LYS A 6 6.678 6.300 -2.222 1.00 32.40 H new ATOM 0 HA LYS A 6 9.187 4.724 -2.205 1.00 63.34 H new ATOM 0 HB2 LYS A 6 7.594 5.243 -0.065 1.00 21.31 H new ATOM 0 HB3 LYS A 6 6.762 3.838 -0.700 1.00 21.31 H new ATOM 0 HG2 LYS A 6 9.293 2.889 -0.779 1.00 35.13 H new ATOM 0 HG3 LYS A 6 9.480 4.049 0.521 1.00 35.13 H new ATOM 0 HD2 LYS A 6 8.183 2.846 1.969 1.00 71.41 H new ATOM 0 HD3 LYS A 6 7.027 2.400 0.729 1.00 71.41 H new ATOM 0 HE2 LYS A 6 7.986 0.376 0.485 1.00 74.01 H new ATOM 0 HE3 LYS A 6 9.541 1.107 0.143 1.00 74.01 H new ATOM 0 HZ1 LYS A 6 9.653 -0.322 2.078 1.00 13.43 H new ATOM 0 HZ2 LYS A 6 9.952 1.288 2.528 1.00 13.43 H new ATOM 0 HZ3 LYS A 6 8.445 0.579 2.860 1.00 13.43 H new ATOM 88 N GLU A 7 8.326 3.090 -3.836 1.00 75.43 N ATOM 89 CA GLU A 7 7.854 2.136 -4.833 1.00 64.35 C ATOM 90 C GLU A 7 7.086 2.845 -5.945 1.00 3.21 C ATOM 91 O GLU A 7 6.359 2.214 -6.713 1.00 41.33 O ATOM 92 CB GLU A 7 6.964 1.077 -4.179 1.00 1.43 C ATOM 93 CG GLU A 7 7.159 -0.318 -4.747 1.00 75.15 C ATOM 94 CD GLU A 7 7.994 -1.205 -3.845 1.00 13.05 C ATOM 95 OE1 GLU A 7 9.229 -1.022 -3.812 1.00 13.00 O ATOM 96 OE2 GLU A 7 7.413 -2.082 -3.171 1.00 50.41 O ATOM 0 H GLU A 7 9.341 3.152 -3.757 1.00 75.43 H new ATOM 0 HA GLU A 7 8.725 1.648 -5.270 1.00 64.35 H new ATOM 0 HB2 GLU A 7 7.167 1.056 -3.108 1.00 1.43 H new ATOM 0 HB3 GLU A 7 5.920 1.367 -4.300 1.00 1.43 H new ATOM 0 HG2 GLU A 7 6.185 -0.781 -4.905 1.00 75.15 H new ATOM 0 HG3 GLU A 7 7.639 -0.245 -5.723 1.00 75.15 H new ATOM 103 N LEU A 8 7.252 4.161 -6.024 1.00 24.12 N ATOM 104 CA LEU A 8 6.575 4.958 -7.041 1.00 10.05 C ATOM 105 C LEU A 8 7.545 5.928 -7.708 1.00 31.22 C ATOM 106 O LEU A 8 8.507 6.384 -7.089 1.00 54.35 O ATOM 107 CB LEU A 8 5.410 5.731 -6.419 1.00 24.43 C ATOM 108 CG LEU A 8 4.226 4.890 -5.941 1.00 72.23 C ATOM 109 CD1 LEU A 8 3.741 5.374 -4.584 1.00 34.54 C ATOM 110 CD2 LEU A 8 3.096 4.933 -6.960 1.00 21.01 C ATOM 0 H LEU A 8 7.850 4.698 -5.396 1.00 24.12 H new ATOM 0 HA LEU A 8 6.188 4.279 -7.801 1.00 10.05 H new ATOM 0 HB2 LEU A 8 5.790 6.302 -5.572 1.00 24.43 H new ATOM 0 HB3 LEU A 8 5.046 6.452 -7.151 1.00 24.43 H new ATOM 0 HG LEU A 8 4.557 3.857 -5.838 1.00 72.23 H new ATOM 0 HD11 LEU A 8 2.898 4.764 -4.260 1.00 34.54 H new ATOM 0 HD12 LEU A 8 4.550 5.291 -3.858 1.00 34.54 H new ATOM 0 HD13 LEU A 8 3.427 6.415 -4.660 1.00 34.54 H new ATOM 0 HD21 LEU A 8 2.262 4.329 -6.604 1.00 21.01 H new ATOM 0 HD22 LEU A 8 2.767 5.963 -7.095 1.00 21.01 H new ATOM 0 HD23 LEU A 8 3.449 4.537 -7.912 1.00 21.01 H new ATOM 122 N VAL A 9 7.285 6.240 -8.973 1.00 54.33 N ATOM 123 CA VAL A 9 8.132 7.159 -9.724 1.00 24.30 C ATOM 124 C VAL A 9 7.308 8.003 -10.689 1.00 40.22 C ATOM 125 O VAL A 9 6.248 7.579 -11.153 1.00 45.50 O ATOM 126 CB VAL A 9 9.215 6.403 -10.517 1.00 20.53 C ATOM 127 CG1 VAL A 9 10.043 5.527 -9.588 1.00 40.14 C ATOM 128 CG2 VAL A 9 8.582 5.572 -11.623 1.00 23.22 C ATOM 0 H VAL A 9 6.494 5.870 -9.500 1.00 54.33 H new ATOM 0 HA VAL A 9 8.614 7.812 -8.996 1.00 24.30 H new ATOM 0 HB VAL A 9 9.880 7.133 -10.978 1.00 20.53 H new ATOM 0 HG11 VAL A 9 10.803 5.001 -10.166 1.00 40.14 H new ATOM 0 HG12 VAL A 9 10.526 6.150 -8.835 1.00 40.14 H new ATOM 0 HG13 VAL A 9 9.394 4.802 -9.097 1.00 40.14 H new ATOM 0 HG21 VAL A 9 9.361 5.045 -12.173 1.00 23.22 H new ATOM 0 HG22 VAL A 9 7.893 4.849 -11.186 1.00 23.22 H new ATOM 0 HG23 VAL A 9 8.037 6.226 -12.303 1.00 23.22 H new ATOM 138 N LEU A 10 7.801 9.200 -10.989 1.00 32.14 N ATOM 139 CA LEU A 10 7.110 10.105 -11.900 1.00 42.52 C ATOM 140 C LEU A 10 7.901 10.285 -13.192 1.00 73.13 C ATOM 141 O LEU A 10 9.126 10.391 -13.172 1.00 5.10 O ATOM 142 CB LEU A 10 6.889 11.463 -11.231 1.00 42.34 C ATOM 143 CG LEU A 10 5.540 12.131 -11.498 1.00 14.02 C ATOM 144 CD1 LEU A 10 5.131 12.998 -10.317 1.00 50.43 C ATOM 145 CD2 LEU A 10 5.596 12.957 -12.775 1.00 31.14 C ATOM 0 H LEU A 10 8.676 9.566 -10.615 1.00 32.14 H new ATOM 0 HA LEU A 10 6.143 9.666 -12.145 1.00 42.52 H new ATOM 0 HB2 LEU A 10 7.003 11.338 -10.154 1.00 42.34 H new ATOM 0 HB3 LEU A 10 7.678 12.140 -11.559 1.00 42.34 H new ATOM 0 HG LEU A 10 4.790 11.351 -11.627 1.00 14.02 H new ATOM 0 HD11 LEU A 10 4.169 13.465 -10.525 1.00 50.43 H new ATOM 0 HD12 LEU A 10 5.049 12.380 -9.423 1.00 50.43 H new ATOM 0 HD13 LEU A 10 5.882 13.771 -10.156 1.00 50.43 H new ATOM 0 HD21 LEU A 10 4.627 13.425 -12.949 1.00 31.14 H new ATOM 0 HD22 LEU A 10 6.359 13.729 -12.676 1.00 31.14 H new ATOM 0 HD23 LEU A 10 5.842 12.310 -13.617 1.00 31.14 H new ATOM 157 N ALA A 11 7.190 10.320 -14.315 1.00 31.32 N ATOM 158 CA ALA A 11 7.825 10.491 -15.616 1.00 35.22 C ATOM 159 C ALA A 11 8.252 11.938 -15.832 1.00 1.50 C ATOM 160 O ALA A 11 7.424 12.850 -15.819 1.00 75.25 O ATOM 161 CB ALA A 11 6.883 10.045 -16.725 1.00 0.31 C ATOM 0 H ALA A 11 6.174 10.232 -14.350 1.00 31.32 H new ATOM 0 HA ALA A 11 8.719 9.868 -15.641 1.00 35.22 H new ATOM 0 HB1 ALA A 11 7.370 10.178 -17.691 1.00 0.31 H new ATOM 0 HB2 ALA A 11 6.631 8.994 -16.587 1.00 0.31 H new ATOM 0 HB3 ALA A 11 5.973 10.644 -16.692 1.00 0.31 H new ATOM 167 N LEU A 12 9.550 12.144 -16.029 1.00 74.12 N ATOM 168 CA LEU A 12 10.088 13.482 -16.248 1.00 12.23 C ATOM 169 C LEU A 12 9.993 13.874 -17.719 1.00 33.13 C ATOM 170 O LEU A 12 9.806 15.045 -18.049 1.00 11.31 O ATOM 171 CB LEU A 12 11.544 13.550 -15.783 1.00 73.22 C ATOM 172 CG LEU A 12 11.878 14.655 -14.780 1.00 74.43 C ATOM 173 CD1 LEU A 12 12.760 14.115 -13.665 1.00 74.42 C ATOM 174 CD2 LEU A 12 12.556 15.823 -15.480 1.00 54.44 C ATOM 0 H LEU A 12 10.249 11.401 -16.042 1.00 74.12 H new ATOM 0 HA LEU A 12 9.493 14.185 -15.665 1.00 12.23 H new ATOM 0 HB2 LEU A 12 11.807 12.591 -15.337 1.00 73.22 H new ATOM 0 HB3 LEU A 12 12.179 13.679 -16.660 1.00 73.22 H new ATOM 0 HG LEU A 12 10.948 15.012 -14.339 1.00 74.43 H new ATOM 0 HD11 LEU A 12 12.987 14.915 -12.961 1.00 74.42 H new ATOM 0 HD12 LEU A 12 12.238 13.312 -13.145 1.00 74.42 H new ATOM 0 HD13 LEU A 12 13.688 13.730 -14.089 1.00 74.42 H new ATOM 0 HD21 LEU A 12 12.786 16.600 -14.751 1.00 54.44 H new ATOM 0 HD22 LEU A 12 13.478 15.480 -15.949 1.00 54.44 H new ATOM 0 HD23 LEU A 12 11.890 16.227 -16.242 1.00 54.44 H new ATOM 186 N TYR A 13 10.120 12.886 -18.598 1.00 3.41 N ATOM 187 CA TYR A 13 10.049 13.128 -20.034 1.00 71.31 C ATOM 188 C TYR A 13 9.589 11.876 -20.775 1.00 20.43 C ATOM 189 O TYR A 13 10.150 10.794 -20.596 1.00 54.12 O ATOM 190 CB TYR A 13 11.411 13.576 -20.565 1.00 43.53 C ATOM 191 CG TYR A 13 11.519 15.071 -20.771 1.00 74.41 C ATOM 192 CD1 TYR A 13 11.146 15.654 -21.976 1.00 13.12 C ATOM 193 CD2 TYR A 13 11.994 15.899 -19.762 1.00 32.53 C ATOM 194 CE1 TYR A 13 11.243 17.019 -22.169 1.00 33.43 C ATOM 195 CE2 TYR A 13 12.093 17.264 -19.945 1.00 52.12 C ATOM 196 CZ TYR A 13 11.716 17.819 -21.150 1.00 43.34 C ATOM 197 OH TYR A 13 11.815 19.179 -21.338 1.00 13.14 O ATOM 0 H TYR A 13 10.273 11.911 -18.341 1.00 3.41 H new ATOM 0 HA TYR A 13 9.320 13.920 -20.208 1.00 71.31 H new ATOM 0 HB2 TYR A 13 12.186 13.257 -19.868 1.00 43.53 H new ATOM 0 HB3 TYR A 13 11.606 13.072 -21.512 1.00 43.53 H new ATOM 0 HD1 TYR A 13 10.774 15.030 -22.775 1.00 13.12 H new ATOM 0 HD2 TYR A 13 12.291 15.467 -18.818 1.00 32.53 H new ATOM 0 HE1 TYR A 13 10.950 17.457 -23.112 1.00 33.43 H new ATOM 0 HE2 TYR A 13 12.463 17.893 -19.149 1.00 52.12 H new ATOM 0 HH TYR A 13 12.165 19.597 -20.524 1.00 13.14 H new ATOM 207 N ASP A 14 8.565 12.031 -21.607 1.00 3.22 N ATOM 208 CA ASP A 14 8.030 10.915 -22.377 1.00 74.30 C ATOM 209 C ASP A 14 9.134 10.220 -23.167 1.00 22.21 C ATOM 210 O ASP A 14 9.940 10.872 -23.831 1.00 64.42 O ATOM 211 CB ASP A 14 6.935 11.402 -23.328 1.00 31.14 C ATOM 212 CG ASP A 14 7.499 12.022 -24.591 1.00 31.21 C ATOM 213 OD1 ASP A 14 7.772 11.270 -25.549 1.00 64.33 O ATOM 214 OD2 ASP A 14 7.668 13.259 -24.621 1.00 14.00 O ATOM 0 H ASP A 14 8.089 12.919 -21.765 1.00 3.22 H new ATOM 0 HA ASP A 14 7.601 10.197 -21.678 1.00 74.30 H new ATOM 0 HB2 ASP A 14 6.290 10.564 -23.594 1.00 31.14 H new ATOM 0 HB3 ASP A 14 6.311 12.134 -22.815 1.00 31.14 H new ATOM 219 N TYR A 15 9.166 8.894 -23.089 1.00 53.21 N ATOM 220 CA TYR A 15 10.174 8.111 -23.794 1.00 35.11 C ATOM 221 C TYR A 15 9.558 7.370 -24.977 1.00 64.30 C ATOM 222 O TYR A 15 8.394 7.578 -25.315 1.00 74.12 O ATOM 223 CB TYR A 15 10.833 7.113 -22.840 1.00 43.51 C ATOM 224 CG TYR A 15 12.333 7.018 -23.006 1.00 60.25 C ATOM 225 CD1 TYR A 15 13.133 8.151 -22.937 1.00 44.35 C ATOM 226 CD2 TYR A 15 12.950 5.793 -23.232 1.00 12.12 C ATOM 227 CE1 TYR A 15 14.504 8.068 -23.090 1.00 12.43 C ATOM 228 CE2 TYR A 15 14.320 5.701 -23.384 1.00 32.43 C ATOM 229 CZ TYR A 15 15.092 6.841 -23.312 1.00 44.04 C ATOM 230 OH TYR A 15 16.457 6.754 -23.463 1.00 44.11 O ATOM 0 H TYR A 15 8.506 8.339 -22.545 1.00 53.21 H new ATOM 0 HA TYR A 15 10.932 8.797 -24.173 1.00 35.11 H new ATOM 0 HB2 TYR A 15 10.607 7.401 -21.813 1.00 43.51 H new ATOM 0 HB3 TYR A 15 10.395 6.128 -22.999 1.00 43.51 H new ATOM 0 HD1 TYR A 15 12.676 9.114 -22.761 1.00 44.35 H new ATOM 0 HD2 TYR A 15 12.348 4.898 -23.290 1.00 12.12 H new ATOM 0 HE1 TYR A 15 15.111 8.959 -23.036 1.00 12.43 H new ATOM 0 HE2 TYR A 15 14.784 4.741 -23.558 1.00 32.43 H new ATOM 0 HH TYR A 15 16.711 5.819 -23.611 1.00 44.11 H new ATOM 240 N GLN A 16 10.351 6.504 -25.601 1.00 35.10 N ATOM 241 CA GLN A 16 9.885 5.731 -26.746 1.00 54.34 C ATOM 242 C GLN A 16 10.422 4.305 -26.696 1.00 22.10 C ATOM 243 O GLN A 16 11.477 4.050 -26.116 1.00 31.11 O ATOM 244 CB GLN A 16 10.314 6.405 -28.051 1.00 75.32 C ATOM 245 CG GLN A 16 9.149 6.914 -28.884 1.00 53.34 C ATOM 246 CD GLN A 16 9.600 7.638 -30.138 1.00 1.25 C ATOM 247 OE1 GLN A 16 10.490 7.173 -30.851 1.00 14.03 O ATOM 248 NE2 GLN A 16 8.988 8.784 -30.413 1.00 33.21 N ATOM 0 H GLN A 16 11.318 6.321 -25.333 1.00 35.10 H new ATOM 0 HA GLN A 16 8.796 5.691 -26.706 1.00 54.34 H new ATOM 0 HB2 GLN A 16 10.976 7.239 -27.819 1.00 75.32 H new ATOM 0 HB3 GLN A 16 10.891 5.696 -28.644 1.00 75.32 H new ATOM 0 HG2 GLN A 16 8.513 6.074 -29.163 1.00 53.34 H new ATOM 0 HG3 GLN A 16 8.542 7.587 -28.279 1.00 53.34 H new ATOM 0 HE21 GLN A 16 8.256 9.132 -29.794 1.00 33.21 H new ATOM 0 HE22 GLN A 16 9.250 9.316 -31.243 1.00 33.21 H new ATOM 257 N GLU A 17 9.689 3.379 -27.307 1.00 42.42 N ATOM 258 CA GLU A 17 10.093 1.978 -27.330 1.00 50.50 C ATOM 259 C GLU A 17 10.647 1.594 -28.699 1.00 40.20 C ATOM 260 O GLU A 17 9.898 1.441 -29.664 1.00 61.12 O ATOM 261 CB GLU A 17 8.908 1.077 -26.976 1.00 1.31 C ATOM 262 CG GLU A 17 9.275 -0.393 -26.859 1.00 51.44 C ATOM 263 CD GLU A 17 8.181 -1.217 -26.209 1.00 72.14 C ATOM 264 OE1 GLU A 17 7.150 -0.632 -25.818 1.00 35.13 O ATOM 265 OE2 GLU A 17 8.356 -2.448 -26.093 1.00 24.11 O ATOM 0 H GLU A 17 8.813 3.574 -27.792 1.00 42.42 H new ATOM 0 HA GLU A 17 10.879 1.841 -26.588 1.00 50.50 H new ATOM 0 HB2 GLU A 17 8.477 1.412 -26.032 1.00 1.31 H new ATOM 0 HB3 GLU A 17 8.136 1.191 -27.737 1.00 1.31 H new ATOM 0 HG2 GLU A 17 9.484 -0.792 -27.852 1.00 51.44 H new ATOM 0 HG3 GLU A 17 10.192 -0.490 -26.277 1.00 51.44 H new ATOM 272 N LYS A 18 11.965 1.441 -28.776 1.00 34.35 N ATOM 273 CA LYS A 18 12.621 1.074 -30.025 1.00 23.24 C ATOM 274 C LYS A 18 13.175 -0.346 -29.952 1.00 0.43 C ATOM 275 O LYS A 18 14.140 -0.681 -30.638 1.00 22.51 O ATOM 276 CB LYS A 18 13.751 2.058 -30.339 1.00 34.40 C ATOM 277 CG LYS A 18 13.275 3.335 -31.010 1.00 24.05 C ATOM 278 CD LYS A 18 13.989 4.556 -30.453 1.00 64.45 C ATOM 279 CE LYS A 18 15.272 4.847 -31.217 1.00 62.11 C ATOM 280 NZ LYS A 18 14.999 5.462 -32.546 1.00 23.43 N ATOM 0 H LYS A 18 12.600 1.566 -27.987 1.00 34.35 H new ATOM 0 HA LYS A 18 11.879 1.115 -30.822 1.00 23.24 H new ATOM 0 HB2 LYS A 18 14.267 2.314 -29.413 1.00 34.40 H new ATOM 0 HB3 LYS A 18 14.480 1.568 -30.985 1.00 34.40 H new ATOM 0 HG2 LYS A 18 13.448 3.269 -32.084 1.00 24.05 H new ATOM 0 HG3 LYS A 18 12.200 3.444 -30.867 1.00 24.05 H new ATOM 0 HD2 LYS A 18 13.328 5.421 -30.506 1.00 64.45 H new ATOM 0 HD3 LYS A 18 14.220 4.395 -29.400 1.00 64.45 H new ATOM 0 HE2 LYS A 18 15.901 5.516 -30.629 1.00 62.11 H new ATOM 0 HE3 LYS A 18 15.831 3.922 -31.353 1.00 62.11 H new ATOM 0 HZ1 LYS A 18 15.890 5.799 -32.962 1.00 23.43 H new ATOM 0 HZ2 LYS A 18 14.570 4.754 -33.175 1.00 23.43 H new ATOM 0 HZ3 LYS A 18 14.346 6.263 -32.430 1.00 23.43 H new ATOM 294 N SER A 19 12.557 -1.175 -29.117 1.00 10.01 N ATOM 295 CA SER A 19 12.990 -2.558 -28.953 1.00 51.21 C ATOM 296 C SER A 19 12.092 -3.295 -27.964 1.00 53.32 C ATOM 297 O SER A 19 11.385 -2.689 -27.158 1.00 73.42 O ATOM 298 CB SER A 19 14.442 -2.606 -28.475 1.00 22.54 C ATOM 299 OG SER A 19 15.319 -2.933 -29.539 1.00 21.02 O ATOM 0 H SER A 19 11.755 -0.913 -28.544 1.00 10.01 H new ATOM 0 HA SER A 19 12.917 -3.053 -29.921 1.00 51.21 H new ATOM 0 HB2 SER A 19 14.721 -1.641 -28.053 1.00 22.54 H new ATOM 0 HB3 SER A 19 14.542 -3.343 -27.678 1.00 22.54 H new ATOM 0 HG SER A 19 15.222 -2.273 -30.257 1.00 21.02 H new ATOM 305 N PRO A 20 12.119 -4.634 -28.026 1.00 61.31 N ATOM 306 CA PRO A 20 11.314 -5.484 -27.144 1.00 22.15 C ATOM 307 C PRO A 20 11.800 -5.443 -25.699 1.00 34.24 C ATOM 308 O PRO A 20 11.070 -5.811 -24.778 1.00 74.10 O ATOM 309 CB PRO A 20 11.503 -6.885 -27.731 1.00 55.24 C ATOM 310 CG PRO A 20 12.813 -6.826 -28.438 1.00 31.24 C ATOM 311 CD PRO A 20 12.938 -5.422 -28.962 1.00 23.50 C ATOM 0 HA PRO A 20 10.274 -5.160 -27.104 1.00 22.15 H new ATOM 0 HB2 PRO A 20 11.509 -7.644 -26.949 1.00 55.24 H new ATOM 0 HB3 PRO A 20 10.694 -7.140 -28.416 1.00 55.24 H new ATOM 0 HG2 PRO A 20 13.633 -7.064 -27.761 1.00 31.24 H new ATOM 0 HG3 PRO A 20 12.851 -7.551 -29.251 1.00 31.24 H new ATOM 0 HD2 PRO A 20 13.975 -5.087 -28.969 1.00 23.50 H new ATOM 0 HD3 PRO A 20 12.570 -5.341 -29.985 1.00 23.50 H new ATOM 319 N ARG A 21 13.035 -4.993 -25.507 1.00 23.12 N ATOM 320 CA ARG A 21 13.618 -4.905 -24.173 1.00 71.03 C ATOM 321 C ARG A 21 13.273 -3.572 -23.516 1.00 44.55 C ATOM 322 O ARG A 21 13.232 -3.465 -22.291 1.00 72.23 O ATOM 323 CB ARG A 21 15.137 -5.073 -24.245 1.00 72.10 C ATOM 324 CG ARG A 21 15.664 -6.218 -23.395 1.00 53.13 C ATOM 325 CD ARG A 21 17.017 -6.702 -23.891 1.00 22.41 C ATOM 326 NE ARG A 21 17.146 -8.154 -23.800 1.00 74.42 N ATOM 327 CZ ARG A 21 18.310 -8.793 -23.841 1.00 35.24 C ATOM 328 NH1 ARG A 21 19.440 -8.112 -23.969 1.00 15.52 N ATOM 329 NH2 ARG A 21 18.345 -10.117 -23.752 1.00 12.40 N ATOM 0 H ARG A 21 13.652 -4.683 -26.258 1.00 23.12 H new ATOM 0 HA ARG A 21 13.199 -5.708 -23.567 1.00 71.03 H new ATOM 0 HB2 ARG A 21 15.427 -5.239 -25.283 1.00 72.10 H new ATOM 0 HB3 ARG A 21 15.612 -4.146 -23.925 1.00 72.10 H new ATOM 0 HG2 ARG A 21 15.750 -5.893 -22.358 1.00 53.13 H new ATOM 0 HG3 ARG A 21 14.952 -7.043 -23.412 1.00 53.13 H new ATOM 0 HD2 ARG A 21 17.156 -6.390 -24.926 1.00 22.41 H new ATOM 0 HD3 ARG A 21 17.807 -6.231 -23.307 1.00 22.41 H new ATOM 0 HE ARG A 21 16.295 -8.708 -23.699 1.00 74.42 H new ATOM 0 HH11 ARG A 21 19.417 -7.094 -24.036 1.00 15.52 H new ATOM 0 HH12 ARG A 21 20.332 -8.606 -24.000 1.00 15.52 H new ATOM 0 HH21 ARG A 21 17.478 -10.645 -23.652 1.00 12.40 H new ATOM 0 HH22 ARG A 21 19.239 -10.607 -23.784 1.00 12.40 H new ATOM 343 N GLU A 22 13.028 -2.558 -24.341 1.00 2.44 N ATOM 344 CA GLU A 22 12.689 -1.231 -23.839 1.00 31.22 C ATOM 345 C GLU A 22 11.176 -1.032 -23.806 1.00 63.24 C ATOM 346 O GLU A 22 10.414 -1.916 -24.198 1.00 60.01 O ATOM 347 CB GLU A 22 13.338 -0.152 -24.708 1.00 12.44 C ATOM 348 CG GLU A 22 14.852 -0.102 -24.588 1.00 33.43 C ATOM 349 CD GLU A 22 15.412 1.285 -24.835 1.00 73.12 C ATOM 350 OE1 GLU A 22 15.019 2.221 -24.107 1.00 62.13 O ATOM 351 OE2 GLU A 22 16.241 1.435 -25.756 1.00 65.10 O ATOM 0 H GLU A 22 13.058 -2.630 -25.358 1.00 2.44 H new ATOM 0 HA GLU A 22 13.071 -1.146 -22.822 1.00 31.22 H new ATOM 0 HB2 GLU A 22 13.070 -0.327 -25.750 1.00 12.44 H new ATOM 0 HB3 GLU A 22 12.928 0.820 -24.432 1.00 12.44 H new ATOM 0 HG2 GLU A 22 15.145 -0.436 -23.593 1.00 33.43 H new ATOM 0 HG3 GLU A 22 15.292 -0.800 -25.301 1.00 33.43 H new ATOM 358 N VAL A 23 10.749 0.135 -23.336 1.00 12.23 N ATOM 359 CA VAL A 23 9.328 0.452 -23.252 1.00 20.41 C ATOM 360 C VAL A 23 9.089 1.950 -23.403 1.00 31.34 C ATOM 361 O VAL A 23 9.985 2.760 -23.166 1.00 44.40 O ATOM 362 CB VAL A 23 8.725 -0.021 -21.916 1.00 25.43 C ATOM 363 CG1 VAL A 23 8.831 -1.533 -21.788 1.00 32.43 C ATOM 364 CG2 VAL A 23 9.412 0.670 -20.748 1.00 24.14 C ATOM 0 H VAL A 23 11.367 0.877 -23.007 1.00 12.23 H new ATOM 0 HA VAL A 23 8.838 -0.075 -24.070 1.00 20.41 H new ATOM 0 HB VAL A 23 7.669 0.248 -21.898 1.00 25.43 H new ATOM 0 HG11 VAL A 23 8.400 -1.849 -20.838 1.00 32.43 H new ATOM 0 HG12 VAL A 23 8.290 -2.006 -22.607 1.00 32.43 H new ATOM 0 HG13 VAL A 23 9.879 -1.829 -21.827 1.00 32.43 H new ATOM 0 HG21 VAL A 23 8.974 0.324 -19.812 1.00 24.14 H new ATOM 0 HG22 VAL A 23 10.476 0.433 -20.760 1.00 24.14 H new ATOM 0 HG23 VAL A 23 9.279 1.748 -20.834 1.00 24.14 H new ATOM 374 N THR A 24 7.872 2.313 -23.798 1.00 25.41 N ATOM 375 CA THR A 24 7.515 3.713 -23.981 1.00 55.41 C ATOM 376 C THR A 24 6.887 4.290 -22.717 1.00 44.52 C ATOM 377 O THR A 24 6.177 3.595 -21.992 1.00 62.52 O ATOM 378 CB THR A 24 6.534 3.894 -25.155 1.00 62.24 C ATOM 379 OG1 THR A 24 6.215 5.280 -25.319 1.00 1.23 O ATOM 380 CG2 THR A 24 5.258 3.099 -24.922 1.00 65.44 C ATOM 0 H THR A 24 7.118 1.656 -23.997 1.00 25.41 H new ATOM 0 HA THR A 24 8.439 4.248 -24.202 1.00 55.41 H new ATOM 0 HB THR A 24 7.014 3.523 -26.060 1.00 62.24 H new ATOM 0 HG1 THR A 24 7.038 5.811 -25.284 1.00 1.23 H new ATOM 0 HG21 THR A 24 4.581 3.243 -25.764 1.00 65.44 H new ATOM 0 HG22 THR A 24 5.501 2.041 -24.828 1.00 65.44 H new ATOM 0 HG23 THR A 24 4.777 3.443 -24.007 1.00 65.44 H new ATOM 388 N MET A 25 7.154 5.567 -22.459 1.00 70.35 N ATOM 389 CA MET A 25 6.613 6.238 -21.283 1.00 21.50 C ATOM 390 C MET A 25 6.127 7.641 -21.632 1.00 65.33 C ATOM 391 O MET A 25 6.530 8.214 -22.645 1.00 3.24 O ATOM 392 CB MET A 25 7.671 6.311 -20.180 1.00 51.11 C ATOM 393 CG MET A 25 8.182 4.950 -19.736 1.00 53.01 C ATOM 394 SD MET A 25 9.794 5.041 -18.934 1.00 11.01 S ATOM 395 CE MET A 25 10.839 4.306 -20.189 1.00 74.32 C ATOM 0 H MET A 25 7.741 6.157 -23.048 1.00 70.35 H new ATOM 0 HA MET A 25 5.763 5.658 -20.924 1.00 21.50 H new ATOM 0 HB2 MET A 25 8.512 6.908 -20.533 1.00 51.11 H new ATOM 0 HB3 MET A 25 7.251 6.831 -19.319 1.00 51.11 H new ATOM 0 HG2 MET A 25 7.463 4.503 -19.049 1.00 53.01 H new ATOM 0 HG3 MET A 25 8.248 4.291 -20.602 1.00 53.01 H new ATOM 0 HE1 MET A 25 11.843 4.724 -20.117 1.00 74.32 H new ATOM 0 HE2 MET A 25 10.883 3.227 -20.040 1.00 74.32 H new ATOM 0 HE3 MET A 25 10.428 4.519 -21.176 1.00 74.32 H new ATOM 405 N LYS A 26 5.260 8.189 -20.789 1.00 35.33 N ATOM 406 CA LYS A 26 4.719 9.525 -21.007 1.00 41.20 C ATOM 407 C LYS A 26 4.975 10.420 -19.798 1.00 71.33 C ATOM 408 O LYS A 26 4.634 10.068 -18.669 1.00 31.42 O ATOM 409 CB LYS A 26 3.217 9.450 -21.291 1.00 1.34 C ATOM 410 CG LYS A 26 2.464 8.534 -20.342 1.00 11.24 C ATOM 411 CD LYS A 26 2.069 7.233 -21.019 1.00 32.30 C ATOM 412 CE LYS A 26 0.985 6.505 -20.239 1.00 12.02 C ATOM 413 NZ LYS A 26 -0.237 6.283 -21.061 1.00 44.34 N ATOM 0 H LYS A 26 4.916 7.728 -19.947 1.00 35.33 H new ATOM 0 HA LYS A 26 5.224 9.958 -21.871 1.00 41.20 H new ATOM 0 HB2 LYS A 26 2.793 10.452 -21.228 1.00 1.34 H new ATOM 0 HB3 LYS A 26 3.066 9.104 -22.313 1.00 1.34 H new ATOM 0 HG2 LYS A 26 3.086 8.319 -19.473 1.00 11.24 H new ATOM 0 HG3 LYS A 26 1.571 9.041 -19.977 1.00 11.24 H new ATOM 0 HD2 LYS A 26 1.715 7.440 -22.029 1.00 32.30 H new ATOM 0 HD3 LYS A 26 2.944 6.590 -21.114 1.00 32.30 H new ATOM 0 HE2 LYS A 26 1.369 5.545 -19.893 1.00 12.02 H new ATOM 0 HE3 LYS A 26 0.726 7.083 -19.352 1.00 12.02 H new ATOM 0 HZ1 LYS A 26 -0.951 5.784 -20.493 1.00 44.34 H new ATOM 0 HZ2 LYS A 26 -0.619 7.200 -21.370 1.00 44.34 H new ATOM 0 HZ3 LYS A 26 0.005 5.710 -21.894 1.00 44.34 H new ATOM 427 N LYS A 27 5.576 11.579 -20.043 1.00 1.23 N ATOM 428 CA LYS A 27 5.875 12.526 -18.975 1.00 44.34 C ATOM 429 C LYS A 27 4.632 12.816 -18.141 1.00 10.33 C ATOM 430 O LYS A 27 3.536 12.978 -18.677 1.00 25.53 O ATOM 431 CB LYS A 27 6.425 13.829 -19.561 1.00 12.11 C ATOM 432 CG LYS A 27 5.482 14.499 -20.545 1.00 54.10 C ATOM 433 CD LYS A 27 6.239 15.136 -21.698 1.00 41.00 C ATOM 434 CE LYS A 27 5.576 16.426 -22.155 1.00 42.34 C ATOM 435 NZ LYS A 27 5.136 16.350 -23.576 1.00 13.32 N ATOM 0 H LYS A 27 5.866 11.885 -20.972 1.00 1.23 H new ATOM 0 HA LYS A 27 6.629 12.079 -18.327 1.00 44.34 H new ATOM 0 HB2 LYS A 27 6.639 14.522 -18.747 1.00 12.11 H new ATOM 0 HB3 LYS A 27 7.371 13.622 -20.061 1.00 12.11 H new ATOM 0 HG2 LYS A 27 4.777 13.764 -20.933 1.00 54.10 H new ATOM 0 HG3 LYS A 27 4.896 15.260 -20.029 1.00 54.10 H new ATOM 0 HD2 LYS A 27 7.265 15.342 -21.392 1.00 41.00 H new ATOM 0 HD3 LYS A 27 6.290 14.436 -22.532 1.00 41.00 H new ATOM 0 HE2 LYS A 27 4.716 16.637 -21.519 1.00 42.34 H new ATOM 0 HE3 LYS A 27 6.273 17.255 -22.034 1.00 42.34 H new ATOM 0 HZ1 LYS A 27 4.689 17.248 -23.850 1.00 13.32 H new ATOM 0 HZ2 LYS A 27 5.960 16.173 -24.186 1.00 13.32 H new ATOM 0 HZ3 LYS A 27 4.451 15.575 -23.686 1.00 13.32 H new ATOM 449 N GLY A 28 4.810 12.883 -16.825 1.00 21.43 N ATOM 450 CA GLY A 28 3.694 13.155 -15.938 1.00 20.41 C ATOM 451 C GLY A 28 3.036 11.888 -15.429 1.00 75.32 C ATOM 452 O GLY A 28 2.336 11.907 -14.416 1.00 51.23 O ATOM 0 H GLY A 28 5.707 12.754 -16.357 1.00 21.43 H new ATOM 0 HA2 GLY A 28 4.043 13.745 -15.091 1.00 20.41 H new ATOM 0 HA3 GLY A 28 2.954 13.759 -16.464 1.00 20.41 H new ATOM 456 N ASP A 29 3.258 10.784 -16.134 1.00 32.44 N ATOM 457 CA ASP A 29 2.680 9.501 -15.748 1.00 2.31 C ATOM 458 C ASP A 29 3.460 8.879 -14.593 1.00 53.45 C ATOM 459 O ASP A 29 4.573 9.304 -14.284 1.00 23.21 O ATOM 460 CB ASP A 29 2.664 8.545 -16.942 1.00 15.52 C ATOM 461 CG ASP A 29 1.816 7.314 -16.686 1.00 45.42 C ATOM 462 OD1 ASP A 29 0.754 7.449 -16.045 1.00 74.20 O ATOM 463 OD2 ASP A 29 2.217 6.216 -17.126 1.00 40.34 O ATOM 0 H ASP A 29 3.834 10.751 -16.975 1.00 32.44 H new ATOM 0 HA ASP A 29 1.656 9.676 -15.419 1.00 2.31 H new ATOM 0 HB2 ASP A 29 2.283 9.069 -17.819 1.00 15.52 H new ATOM 0 HB3 ASP A 29 3.684 8.238 -17.172 1.00 15.52 H new ATOM 468 N ILE A 30 2.867 7.873 -13.960 1.00 73.02 N ATOM 469 CA ILE A 30 3.506 7.193 -12.840 1.00 53.33 C ATOM 470 C ILE A 30 3.924 5.778 -13.223 1.00 23.32 C ATOM 471 O ILE A 30 3.177 5.054 -13.882 1.00 35.13 O ATOM 472 CB ILE A 30 2.574 7.128 -11.616 1.00 20.23 C ATOM 473 CG1 ILE A 30 1.290 6.372 -11.964 1.00 63.51 C ATOM 474 CG2 ILE A 30 2.252 8.530 -11.120 1.00 75.50 C ATOM 475 CD1 ILE A 30 0.327 6.251 -10.804 1.00 74.34 C ATOM 0 H ILE A 30 1.945 7.511 -14.203 1.00 73.02 H new ATOM 0 HA ILE A 30 4.392 7.773 -12.581 1.00 53.33 H new ATOM 0 HB ILE A 30 3.085 6.590 -10.818 1.00 20.23 H new ATOM 0 HG12 ILE A 30 0.791 6.881 -12.789 1.00 63.51 H new ATOM 0 HG13 ILE A 30 1.550 5.374 -12.316 1.00 63.51 H new ATOM 0 HG21 ILE A 30 1.592 8.467 -10.255 1.00 75.50 H new ATOM 0 HG22 ILE A 30 3.175 9.037 -10.837 1.00 75.50 H new ATOM 0 HG23 ILE A 30 1.758 9.092 -11.913 1.00 75.50 H new ATOM 0 HD11 ILE A 30 -0.560 5.704 -11.123 1.00 74.34 H new ATOM 0 HD12 ILE A 30 0.809 5.716 -9.986 1.00 74.34 H new ATOM 0 HD13 ILE A 30 0.038 7.246 -10.466 1.00 74.34 H new ATOM 487 N LEU A 31 5.123 5.388 -12.804 1.00 22.20 N ATOM 488 CA LEU A 31 5.642 4.057 -13.101 1.00 32.03 C ATOM 489 C LEU A 31 5.942 3.291 -11.816 1.00 62.24 C ATOM 490 O LEU A 31 6.304 3.881 -10.798 1.00 12.21 O ATOM 491 CB LEU A 31 6.907 4.160 -13.955 1.00 31.25 C ATOM 492 CG LEU A 31 6.738 3.857 -15.444 1.00 20.53 C ATOM 493 CD1 LEU A 31 6.857 5.131 -16.265 1.00 1.12 C ATOM 494 CD2 LEU A 31 7.764 2.829 -15.898 1.00 43.15 C ATOM 0 H LEU A 31 5.754 5.974 -12.258 1.00 22.20 H new ATOM 0 HA LEU A 31 4.880 3.512 -13.658 1.00 32.03 H new ATOM 0 HB2 LEU A 31 7.309 5.168 -13.853 1.00 31.25 H new ATOM 0 HB3 LEU A 31 7.653 3.477 -13.548 1.00 31.25 H new ATOM 0 HG LEU A 31 5.743 3.441 -15.600 1.00 20.53 H new ATOM 0 HD11 LEU A 31 6.734 4.895 -17.322 1.00 1.12 H new ATOM 0 HD12 LEU A 31 6.084 5.835 -15.958 1.00 1.12 H new ATOM 0 HD13 LEU A 31 7.839 5.577 -16.104 1.00 1.12 H new ATOM 0 HD21 LEU A 31 7.629 2.625 -16.960 1.00 43.15 H new ATOM 0 HD22 LEU A 31 8.768 3.217 -15.728 1.00 43.15 H new ATOM 0 HD23 LEU A 31 7.631 1.907 -15.332 1.00 43.15 H new ATOM 506 N THR A 32 5.792 1.971 -11.872 1.00 21.02 N ATOM 507 CA THR A 32 6.048 1.123 -10.714 1.00 41.42 C ATOM 508 C THR A 32 7.343 0.337 -10.884 1.00 72.11 C ATOM 509 O THR A 32 7.683 -0.087 -11.989 1.00 62.24 O ATOM 510 CB THR A 32 4.890 0.137 -10.473 1.00 13.33 C ATOM 511 OG1 THR A 32 3.636 0.785 -10.717 1.00 61.12 O ATOM 512 CG2 THR A 32 4.921 -0.396 -9.048 1.00 63.45 C ATOM 0 H THR A 32 5.495 1.466 -12.707 1.00 21.02 H new ATOM 0 HA THR A 32 6.138 1.784 -9.852 1.00 41.42 H new ATOM 0 HB THR A 32 5.006 -0.701 -11.161 1.00 13.33 H new ATOM 0 HG1 THR A 32 2.905 0.151 -10.563 1.00 61.12 H new ATOM 0 HG21 THR A 32 4.094 -1.090 -8.901 1.00 63.45 H new ATOM 0 HG22 THR A 32 5.864 -0.913 -8.873 1.00 63.45 H new ATOM 0 HG23 THR A 32 4.827 0.434 -8.347 1.00 63.45 H new ATOM 520 N LEU A 33 8.061 0.144 -9.784 1.00 4.55 N ATOM 521 CA LEU A 33 9.320 -0.593 -9.811 1.00 11.14 C ATOM 522 C LEU A 33 9.374 -1.619 -8.683 1.00 41.03 C ATOM 523 O LEU A 33 8.971 -1.338 -7.554 1.00 23.13 O ATOM 524 CB LEU A 33 10.501 0.372 -9.695 1.00 24.31 C ATOM 525 CG LEU A 33 10.376 1.683 -10.472 1.00 20.14 C ATOM 526 CD1 LEU A 33 11.457 2.663 -10.042 1.00 53.03 C ATOM 527 CD2 LEU A 33 10.452 1.425 -11.969 1.00 72.14 C ATOM 0 H LEU A 33 7.793 0.487 -8.862 1.00 4.55 H new ATOM 0 HA LEU A 33 9.383 -1.122 -10.762 1.00 11.14 H new ATOM 0 HB2 LEU A 33 10.648 0.610 -8.641 1.00 24.31 H new ATOM 0 HB3 LEU A 33 11.400 -0.143 -10.033 1.00 24.31 H new ATOM 0 HG LEU A 33 9.405 2.124 -10.249 1.00 20.14 H new ATOM 0 HD11 LEU A 33 11.353 3.590 -10.605 1.00 53.03 H new ATOM 0 HD12 LEU A 33 11.356 2.872 -8.977 1.00 53.03 H new ATOM 0 HD13 LEU A 33 12.438 2.230 -10.235 1.00 53.03 H new ATOM 0 HD21 LEU A 33 10.361 2.369 -12.506 1.00 72.14 H new ATOM 0 HD22 LEU A 33 11.408 0.961 -12.210 1.00 72.14 H new ATOM 0 HD23 LEU A 33 9.641 0.760 -12.265 1.00 72.14 H new ATOM 539 N LEU A 34 9.876 -2.808 -8.997 1.00 23.23 N ATOM 540 CA LEU A 34 9.986 -3.877 -8.009 1.00 41.44 C ATOM 541 C LEU A 34 11.183 -3.650 -7.092 1.00 44.41 C ATOM 542 O LEU A 34 11.186 -4.081 -5.940 1.00 55.20 O ATOM 543 CB LEU A 34 10.114 -5.232 -8.708 1.00 13.34 C ATOM 544 CG LEU A 34 10.383 -6.432 -7.799 1.00 50.03 C ATOM 545 CD1 LEU A 34 9.105 -6.869 -7.099 1.00 45.13 C ATOM 546 CD2 LEU A 34 10.976 -7.583 -8.598 1.00 71.25 C ATOM 0 H LEU A 34 10.213 -3.057 -9.927 1.00 23.23 H new ATOM 0 HA LEU A 34 9.081 -3.872 -7.402 1.00 41.44 H new ATOM 0 HB2 LEU A 34 9.195 -5.421 -9.263 1.00 13.34 H new ATOM 0 HB3 LEU A 34 10.920 -5.167 -9.439 1.00 13.34 H new ATOM 0 HG LEU A 34 11.105 -6.133 -7.039 1.00 50.03 H new ATOM 0 HD11 LEU A 34 9.316 -7.724 -6.457 1.00 45.13 H new ATOM 0 HD12 LEU A 34 8.722 -6.047 -6.495 1.00 45.13 H new ATOM 0 HD13 LEU A 34 8.360 -7.150 -7.844 1.00 45.13 H new ATOM 0 HD21 LEU A 34 11.161 -8.428 -7.935 1.00 71.25 H new ATOM 0 HD22 LEU A 34 10.278 -7.881 -9.380 1.00 71.25 H new ATOM 0 HD23 LEU A 34 11.915 -7.265 -9.052 1.00 71.25 H new ATOM 558 N ASN A 35 12.199 -2.968 -7.611 1.00 42.43 N ATOM 559 CA ASN A 35 13.402 -2.681 -6.838 1.00 62.42 C ATOM 560 C ASN A 35 13.606 -1.177 -6.687 1.00 25.13 C ATOM 561 O ASN A 35 13.653 -0.444 -7.675 1.00 22.15 O ATOM 562 CB ASN A 35 14.626 -3.309 -7.509 1.00 50.41 C ATOM 563 CG ASN A 35 15.465 -4.118 -6.540 1.00 23.33 C ATOM 564 OD1 ASN A 35 15.983 -3.588 -5.557 1.00 21.13 O ATOM 565 ND2 ASN A 35 15.604 -5.410 -6.814 1.00 33.35 N ATOM 0 H ASN A 35 12.213 -2.604 -8.564 1.00 42.43 H new ATOM 0 HA ASN A 35 13.278 -3.114 -5.845 1.00 62.42 H new ATOM 0 HB2 ASN A 35 14.299 -3.952 -8.326 1.00 50.41 H new ATOM 0 HB3 ASN A 35 15.240 -2.522 -7.948 1.00 50.41 H new ATOM 0 HD21 ASN A 35 16.158 -6.005 -6.198 1.00 33.35 H new ATOM 0 HD22 ASN A 35 15.157 -5.807 -7.640 1.00 33.35 H new ATOM 572 N SER A 36 13.728 -0.724 -5.443 1.00 62.20 N ATOM 573 CA SER A 36 13.924 0.693 -5.161 1.00 44.14 C ATOM 574 C SER A 36 15.318 1.144 -5.588 1.00 70.13 C ATOM 575 O SER A 36 15.488 2.225 -6.153 1.00 65.25 O ATOM 576 CB SER A 36 13.720 0.972 -3.671 1.00 22.40 C ATOM 577 OG SER A 36 12.710 0.138 -3.130 1.00 60.21 O ATOM 0 H SER A 36 13.695 -1.318 -4.615 1.00 62.20 H new ATOM 0 HA SER A 36 13.187 1.257 -5.733 1.00 44.14 H new ATOM 0 HB2 SER A 36 14.656 0.809 -3.136 1.00 22.40 H new ATOM 0 HB3 SER A 36 13.448 2.018 -3.527 1.00 22.40 H new ATOM 0 HG SER A 36 12.600 0.334 -2.176 1.00 60.21 H new ATOM 583 N THR A 37 16.314 0.307 -5.314 1.00 11.12 N ATOM 584 CA THR A 37 17.693 0.618 -5.667 1.00 41.34 C ATOM 585 C THR A 37 17.971 0.298 -7.132 1.00 21.35 C ATOM 586 O THR A 37 18.713 -0.633 -7.443 1.00 2.33 O ATOM 587 CB THR A 37 18.688 -0.159 -4.785 1.00 63.35 C ATOM 588 OG1 THR A 37 18.327 -1.544 -4.743 1.00 35.14 O ATOM 589 CG2 THR A 37 18.717 0.407 -3.374 1.00 32.43 C ATOM 0 H THR A 37 16.191 -0.592 -4.848 1.00 11.12 H new ATOM 0 HA THR A 37 17.829 1.686 -5.499 1.00 41.34 H new ATOM 0 HB THR A 37 19.682 -0.057 -5.220 1.00 63.35 H new ATOM 0 HG1 THR A 37 18.315 -1.907 -5.653 1.00 35.14 H new ATOM 0 HG21 THR A 37 19.427 -0.158 -2.770 1.00 32.43 H new ATOM 0 HG22 THR A 37 19.021 1.453 -3.408 1.00 32.43 H new ATOM 0 HG23 THR A 37 17.724 0.332 -2.931 1.00 32.43 H new ATOM 597 N ASN A 38 17.371 1.075 -8.027 1.00 52.00 N ATOM 598 CA ASN A 38 17.554 0.873 -9.460 1.00 5.33 C ATOM 599 C ASN A 38 18.311 2.043 -10.081 1.00 41.22 C ATOM 600 O ASN A 38 18.100 2.386 -11.245 1.00 23.31 O ATOM 601 CB ASN A 38 16.200 0.703 -10.150 1.00 15.33 C ATOM 602 CG ASN A 38 15.353 1.960 -10.079 1.00 62.22 C ATOM 603 OD1 ASN A 38 14.929 2.376 -9.001 1.00 52.01 O ATOM 604 ND2 ASN A 38 15.104 2.570 -11.232 1.00 14.22 N ATOM 0 H ASN A 38 16.754 1.850 -7.786 1.00 52.00 H new ATOM 0 HA ASN A 38 18.142 -0.034 -9.602 1.00 5.33 H new ATOM 0 HB2 ASN A 38 16.359 0.434 -11.194 1.00 15.33 H new ATOM 0 HB3 ASN A 38 15.660 -0.122 -9.686 1.00 15.33 H new ATOM 0 HD21 ASN A 38 14.540 3.420 -11.248 1.00 14.22 H new ATOM 0 HD22 ASN A 38 15.477 2.189 -12.102 1.00 14.22 H new ATOM 611 N LYS A 39 19.194 2.653 -9.297 1.00 70.15 N ATOM 612 CA LYS A 39 19.985 3.783 -9.770 1.00 14.54 C ATOM 613 C LYS A 39 21.112 3.315 -10.684 1.00 20.11 C ATOM 614 O LYS A 39 21.471 3.999 -11.643 1.00 22.34 O ATOM 615 CB LYS A 39 20.564 4.558 -8.584 1.00 30.25 C ATOM 616 CG LYS A 39 21.365 3.693 -7.626 1.00 4.22 C ATOM 617 CD LYS A 39 22.838 4.066 -7.638 1.00 4.04 C ATOM 618 CE LYS A 39 23.575 3.466 -6.450 1.00 32.03 C ATOM 619 NZ LYS A 39 24.996 3.163 -6.774 1.00 4.24 N ATOM 0 H LYS A 39 19.380 2.384 -8.331 1.00 70.15 H new ATOM 0 HA LYS A 39 19.329 4.440 -10.341 1.00 14.54 H new ATOM 0 HB2 LYS A 39 21.203 5.357 -8.960 1.00 30.25 H new ATOM 0 HB3 LYS A 39 19.749 5.032 -8.037 1.00 30.25 H new ATOM 0 HG2 LYS A 39 20.969 3.803 -6.617 1.00 4.22 H new ATOM 0 HG3 LYS A 39 21.252 2.644 -7.900 1.00 4.22 H new ATOM 0 HD2 LYS A 39 23.295 3.718 -8.564 1.00 4.04 H new ATOM 0 HD3 LYS A 39 22.940 5.151 -7.620 1.00 4.04 H new ATOM 0 HE2 LYS A 39 23.534 4.159 -5.610 1.00 32.03 H new ATOM 0 HE3 LYS A 39 23.072 2.552 -6.134 1.00 32.03 H new ATOM 0 HZ1 LYS A 39 25.463 2.756 -5.939 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 25.035 2.482 -7.559 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 25.483 4.039 -7.051 1.00 4.24 H new ATOM 633 N ASP A 40 21.665 2.145 -10.382 1.00 10.50 N ATOM 634 CA ASP A 40 22.750 1.584 -11.179 1.00 0.44 C ATOM 635 C ASP A 40 22.227 0.515 -12.133 1.00 0.23 C ATOM 636 O ASP A 40 22.832 0.245 -13.170 1.00 45.50 O ATOM 637 CB ASP A 40 23.826 0.991 -10.268 1.00 33.33 C ATOM 638 CG ASP A 40 25.136 0.759 -10.994 1.00 60.31 C ATOM 639 OD1 ASP A 40 25.575 1.667 -11.729 1.00 42.33 O ATOM 640 OD2 ASP A 40 25.722 -0.332 -10.828 1.00 51.12 O ATOM 0 H ASP A 40 21.380 1.567 -9.591 1.00 10.50 H new ATOM 0 HA ASP A 40 23.188 2.389 -11.770 1.00 0.44 H new ATOM 0 HB2 ASP A 40 23.995 1.662 -9.426 1.00 33.33 H new ATOM 0 HB3 ASP A 40 23.470 0.046 -9.857 1.00 33.33 H new ATOM 645 N TRP A 41 21.101 -0.090 -11.774 1.00 72.41 N ATOM 646 CA TRP A 41 20.497 -1.131 -12.598 1.00 61.42 C ATOM 647 C TRP A 41 19.034 -0.815 -12.889 1.00 63.15 C ATOM 648 O TRP A 41 18.392 -0.069 -12.150 1.00 43.02 O ATOM 649 CB TRP A 41 20.610 -2.490 -11.904 1.00 14.42 C ATOM 650 CG TRP A 41 20.679 -3.642 -12.860 1.00 53.41 C ATOM 651 CD1 TRP A 41 19.634 -4.398 -13.309 1.00 30.01 C ATOM 652 CD2 TRP A 41 21.855 -4.169 -13.483 1.00 41.20 C ATOM 653 NE1 TRP A 41 20.090 -5.364 -14.173 1.00 41.24 N ATOM 654 CE2 TRP A 41 21.449 -5.244 -14.298 1.00 11.23 C ATOM 655 CE3 TRP A 41 23.211 -3.836 -13.434 1.00 24.33 C ATOM 656 CZ2 TRP A 41 22.352 -5.987 -15.054 1.00 15.21 C ATOM 657 CZ3 TRP A 41 24.106 -4.575 -14.185 1.00 0.24 C ATOM 658 CH2 TRP A 41 23.673 -5.639 -14.986 1.00 64.45 C ATOM 0 H TRP A 41 20.588 0.122 -10.918 1.00 72.41 H new ATOM 0 HA TRP A 41 21.036 -1.168 -13.545 1.00 61.42 H new ATOM 0 HB2 TRP A 41 21.500 -2.496 -11.275 1.00 14.42 H new ATOM 0 HB3 TRP A 41 19.753 -2.625 -11.245 1.00 14.42 H new ATOM 0 HD1 TRP A 41 18.601 -4.257 -13.026 1.00 30.01 H new ATOM 0 HE1 TRP A 41 19.511 -6.058 -14.645 1.00 41.24 H new ATOM 0 HE3 TRP A 41 23.554 -3.016 -12.820 1.00 24.33 H new ATOM 0 HZ2 TRP A 41 22.021 -6.809 -15.672 1.00 15.21 H new ATOM 0 HZ3 TRP A 41 25.157 -4.328 -14.153 1.00 0.24 H new ATOM 0 HH2 TRP A 41 24.397 -6.196 -15.562 1.00 64.45 H new ATOM 669 N TRP A 42 18.514 -1.387 -13.969 1.00 52.54 N ATOM 670 CA TRP A 42 17.125 -1.165 -14.357 1.00 44.33 C ATOM 671 C TRP A 42 16.254 -2.353 -13.965 1.00 1.21 C ATOM 672 O TRP A 42 16.518 -3.488 -14.363 1.00 0.42 O ATOM 673 CB TRP A 42 17.028 -0.921 -15.864 1.00 41.31 C ATOM 674 CG TRP A 42 18.030 0.072 -16.371 1.00 0.10 C ATOM 675 CD1 TRP A 42 18.549 1.135 -15.688 1.00 34.22 C ATOM 676 CD2 TRP A 42 18.632 0.095 -17.670 1.00 1.12 C ATOM 677 NE1 TRP A 42 19.437 1.817 -16.484 1.00 11.13 N ATOM 678 CE2 TRP A 42 19.507 1.199 -17.704 1.00 75.11 C ATOM 679 CE3 TRP A 42 18.519 -0.710 -18.806 1.00 63.32 C ATOM 680 CZ2 TRP A 42 20.261 1.516 -18.831 1.00 32.14 C ATOM 681 CZ3 TRP A 42 19.268 -0.394 -19.924 1.00 24.25 C ATOM 682 CH2 TRP A 42 20.131 0.710 -19.929 1.00 54.41 C ATOM 0 H TRP A 42 19.032 -2.007 -14.591 1.00 52.54 H new ATOM 0 HA TRP A 42 16.763 -0.283 -13.829 1.00 44.33 H new ATOM 0 HB2 TRP A 42 17.168 -1.867 -16.388 1.00 41.31 H new ATOM 0 HB3 TRP A 42 16.025 -0.569 -16.104 1.00 41.31 H new ATOM 0 HD1 TRP A 42 18.298 1.400 -14.672 1.00 34.22 H new ATOM 0 HE1 TRP A 42 19.960 2.649 -16.211 1.00 11.13 H new ATOM 0 HE3 TRP A 42 17.858 -1.564 -18.811 1.00 63.32 H new ATOM 0 HZ2 TRP A 42 20.925 2.368 -18.838 1.00 32.14 H new ATOM 0 HZ3 TRP A 42 19.187 -1.008 -20.809 1.00 24.25 H new ATOM 0 HH2 TRP A 42 20.705 0.929 -20.817 1.00 54.41 H new ATOM 693 N LYS A 43 15.214 -2.085 -13.182 1.00 63.41 N ATOM 694 CA LYS A 43 14.302 -3.132 -12.737 1.00 22.24 C ATOM 695 C LYS A 43 12.850 -2.688 -12.884 1.00 45.10 C ATOM 696 O LYS A 43 12.484 -1.586 -12.476 1.00 54.22 O ATOM 697 CB LYS A 43 14.589 -3.500 -11.279 1.00 75.20 C ATOM 698 CG LYS A 43 14.620 -4.997 -11.025 1.00 22.33 C ATOM 699 CD LYS A 43 15.856 -5.640 -11.632 1.00 74.24 C ATOM 700 CE LYS A 43 16.941 -5.858 -10.589 1.00 72.23 C ATOM 701 NZ LYS A 43 16.660 -7.046 -9.737 1.00 31.25 N ATOM 0 H LYS A 43 14.982 -1.152 -12.843 1.00 63.41 H new ATOM 0 HA LYS A 43 14.460 -4.009 -13.365 1.00 22.24 H new ATOM 0 HB2 LYS A 43 15.547 -3.070 -10.986 1.00 75.20 H new ATOM 0 HB3 LYS A 43 13.829 -3.047 -10.642 1.00 75.20 H new ATOM 0 HG2 LYS A 43 14.601 -5.185 -9.952 1.00 22.33 H new ATOM 0 HG3 LYS A 43 13.726 -5.457 -11.445 1.00 22.33 H new ATOM 0 HD2 LYS A 43 15.586 -6.595 -12.083 1.00 74.24 H new ATOM 0 HD3 LYS A 43 16.241 -5.007 -12.432 1.00 74.24 H new ATOM 0 HE2 LYS A 43 17.902 -5.987 -11.086 1.00 72.23 H new ATOM 0 HE3 LYS A 43 17.024 -4.971 -9.960 1.00 72.23 H new ATOM 0 HZ1 LYS A 43 17.422 -7.161 -9.039 1.00 31.25 H new ATOM 0 HZ2 LYS A 43 15.755 -6.912 -9.243 1.00 31.25 H new ATOM 0 HZ3 LYS A 43 16.606 -7.896 -10.334 1.00 31.25 H new ATOM 715 N VAL A 44 12.028 -3.553 -13.468 1.00 71.33 N ATOM 716 CA VAL A 44 10.615 -3.251 -13.667 1.00 5.10 C ATOM 717 C VAL A 44 9.755 -4.495 -13.478 1.00 22.22 C ATOM 718 O VAL A 44 10.190 -5.611 -13.761 1.00 50.24 O ATOM 719 CB VAL A 44 10.358 -2.670 -15.070 1.00 73.42 C ATOM 720 CG1 VAL A 44 8.910 -2.224 -15.206 1.00 10.12 C ATOM 721 CG2 VAL A 44 11.309 -1.517 -15.352 1.00 74.11 C ATOM 0 H VAL A 44 12.316 -4.469 -13.812 1.00 71.33 H new ATOM 0 HA VAL A 44 10.342 -2.507 -12.918 1.00 5.10 H new ATOM 0 HB VAL A 44 10.543 -3.451 -15.807 1.00 73.42 H new ATOM 0 HG11 VAL A 44 8.747 -1.816 -16.204 1.00 10.12 H new ATOM 0 HG12 VAL A 44 8.250 -3.078 -15.051 1.00 10.12 H new ATOM 0 HG13 VAL A 44 8.694 -1.458 -14.461 1.00 10.12 H new ATOM 0 HG21 VAL A 44 11.113 -1.119 -16.348 1.00 74.11 H new ATOM 0 HG22 VAL A 44 11.159 -0.732 -14.611 1.00 74.11 H new ATOM 0 HG23 VAL A 44 12.338 -1.873 -15.300 1.00 74.11 H new ATOM 731 N GLU A 45 8.532 -4.295 -12.997 1.00 50.11 N ATOM 732 CA GLU A 45 7.611 -5.402 -12.770 1.00 15.11 C ATOM 733 C GLU A 45 6.173 -4.982 -13.061 1.00 52.41 C ATOM 734 O GLU A 45 5.717 -3.932 -12.607 1.00 72.10 O ATOM 735 CB GLU A 45 7.725 -5.902 -11.328 1.00 61.44 C ATOM 736 CG GLU A 45 6.728 -6.996 -10.983 1.00 3.33 C ATOM 737 CD GLU A 45 5.855 -6.635 -9.796 1.00 62.34 C ATOM 738 OE1 GLU A 45 4.924 -5.822 -9.972 1.00 35.23 O ATOM 739 OE2 GLU A 45 6.103 -7.166 -8.694 1.00 3.55 O ATOM 0 H GLU A 45 8.156 -3.377 -12.757 1.00 50.11 H new ATOM 0 HA GLU A 45 7.880 -6.210 -13.450 1.00 15.11 H new ATOM 0 HB2 GLU A 45 8.735 -6.276 -11.161 1.00 61.44 H new ATOM 0 HB3 GLU A 45 7.580 -5.062 -10.648 1.00 61.44 H new ATOM 0 HG2 GLU A 45 6.095 -7.192 -11.849 1.00 3.33 H new ATOM 0 HG3 GLU A 45 7.267 -7.918 -10.766 1.00 3.33 H new ATOM 746 N VAL A 46 5.463 -5.809 -13.823 1.00 3.44 N ATOM 747 CA VAL A 46 4.077 -5.524 -14.175 1.00 24.21 C ATOM 748 C VAL A 46 3.227 -6.789 -14.125 1.00 42.31 C ATOM 749 O VAL A 46 3.195 -7.565 -15.079 1.00 12.20 O ATOM 750 CB VAL A 46 3.972 -4.903 -15.580 1.00 53.31 C ATOM 751 CG1 VAL A 46 2.521 -4.601 -15.923 1.00 12.52 C ATOM 752 CG2 VAL A 46 4.823 -3.645 -15.671 1.00 73.04 C ATOM 0 H VAL A 46 5.825 -6.681 -14.208 1.00 3.44 H new ATOM 0 HA VAL A 46 3.704 -4.809 -13.441 1.00 24.21 H new ATOM 0 HB VAL A 46 4.350 -5.623 -16.306 1.00 53.31 H new ATOM 0 HG11 VAL A 46 2.466 -4.163 -16.919 1.00 12.52 H new ATOM 0 HG12 VAL A 46 1.942 -5.524 -15.900 1.00 12.52 H new ATOM 0 HG13 VAL A 46 2.114 -3.899 -15.195 1.00 12.52 H new ATOM 0 HG21 VAL A 46 4.737 -3.219 -16.671 1.00 73.04 H new ATOM 0 HG22 VAL A 46 4.478 -2.918 -14.936 1.00 73.04 H new ATOM 0 HG23 VAL A 46 5.865 -3.895 -15.472 1.00 73.04 H new ATOM 762 N ASN A 47 2.539 -6.989 -13.006 1.00 2.13 N ATOM 763 CA ASN A 47 1.688 -8.160 -12.831 1.00 13.00 C ATOM 764 C ASN A 47 2.526 -9.429 -12.714 1.00 30.44 C ATOM 765 O ASN A 47 2.695 -9.975 -11.623 1.00 62.21 O ATOM 766 CB ASN A 47 0.712 -8.286 -14.003 1.00 30.33 C ATOM 767 CG ASN A 47 -0.732 -8.110 -13.574 1.00 40.22 C ATOM 768 OD1 ASN A 47 -1.278 -7.008 -13.631 1.00 42.22 O ATOM 769 ND2 ASN A 47 -1.358 -9.198 -13.142 1.00 22.23 N ATOM 0 H ASN A 47 2.554 -6.355 -12.207 1.00 2.13 H new ATOM 0 HA ASN A 47 1.123 -8.033 -11.908 1.00 13.00 H new ATOM 0 HB2 ASN A 47 0.957 -7.540 -14.758 1.00 30.33 H new ATOM 0 HB3 ASN A 47 0.833 -9.264 -14.470 1.00 30.33 H new ATOM 0 HD21 ASN A 47 -2.331 -9.141 -12.840 1.00 22.23 H new ATOM 0 HD22 ASN A 47 -0.866 -10.091 -13.112 1.00 22.23 H new ATOM 776 N ASP A 48 3.049 -9.893 -13.843 1.00 75.15 N ATOM 777 CA ASP A 48 3.871 -11.097 -13.868 1.00 31.21 C ATOM 778 C ASP A 48 4.932 -11.008 -14.960 1.00 24.11 C ATOM 779 O ASP A 48 5.397 -12.027 -15.473 1.00 14.35 O ATOM 780 CB ASP A 48 2.997 -12.333 -14.088 1.00 50.14 C ATOM 781 CG ASP A 48 3.563 -13.569 -13.419 1.00 23.45 C ATOM 782 OD1 ASP A 48 4.800 -13.645 -13.262 1.00 73.31 O ATOM 783 OD2 ASP A 48 2.770 -14.462 -13.051 1.00 40.35 O ATOM 0 H ASP A 48 2.918 -9.453 -14.754 1.00 75.15 H new ATOM 0 HA ASP A 48 4.373 -11.184 -12.905 1.00 31.21 H new ATOM 0 HB2 ASP A 48 1.996 -12.140 -13.701 1.00 50.14 H new ATOM 0 HB3 ASP A 48 2.895 -12.517 -15.158 1.00 50.14 H new ATOM 788 N ARG A 49 5.311 -9.784 -15.311 1.00 41.34 N ATOM 789 CA ARG A 49 6.316 -9.562 -16.344 1.00 40.21 C ATOM 790 C ARG A 49 7.387 -8.589 -15.860 1.00 64.01 C ATOM 791 O ARG A 49 7.216 -7.920 -14.842 1.00 3.14 O ATOM 792 CB ARG A 49 5.660 -9.023 -17.617 1.00 10.24 C ATOM 793 CG ARG A 49 4.691 -9.999 -18.263 1.00 32.22 C ATOM 794 CD ARG A 49 4.792 -9.963 -19.780 1.00 12.23 C ATOM 795 NE ARG A 49 3.521 -10.291 -20.421 1.00 2.52 N ATOM 796 CZ ARG A 49 3.408 -10.621 -21.703 1.00 4.35 C ATOM 797 NH1 ARG A 49 4.484 -10.667 -22.476 1.00 24.13 N ATOM 798 NH2 ARG A 49 2.217 -10.906 -22.213 1.00 43.31 N ATOM 0 H ARG A 49 4.938 -8.931 -14.895 1.00 41.34 H new ATOM 0 HA ARG A 49 6.791 -10.518 -16.565 1.00 40.21 H new ATOM 0 HB2 ARG A 49 5.129 -8.101 -17.380 1.00 10.24 H new ATOM 0 HB3 ARG A 49 6.438 -8.767 -18.336 1.00 10.24 H new ATOM 0 HG2 ARG A 49 4.898 -11.008 -17.907 1.00 32.22 H new ATOM 0 HG3 ARG A 49 3.673 -9.757 -17.959 1.00 32.22 H new ATOM 0 HD2 ARG A 49 5.113 -8.971 -20.098 1.00 12.23 H new ATOM 0 HD3 ARG A 49 5.556 -10.667 -20.109 1.00 12.23 H new ATOM 0 HE ARG A 49 2.674 -10.265 -19.853 1.00 2.52 H new ATOM 0 HH11 ARG A 49 5.401 -10.449 -22.087 1.00 24.13 H new ATOM 0 HH12 ARG A 49 4.395 -10.921 -23.460 1.00 24.13 H new ATOM 0 HH21 ARG A 49 1.387 -10.872 -21.621 1.00 43.31 H new ATOM 0 HH22 ARG A 49 2.131 -11.159 -23.197 1.00 43.31 H new ATOM 812 N GLN A 50 8.491 -8.517 -16.597 1.00 70.53 N ATOM 813 CA GLN A 50 9.590 -7.628 -16.242 1.00 1.40 C ATOM 814 C GLN A 50 9.890 -6.654 -17.376 1.00 44.44 C ATOM 815 O GLN A 50 9.327 -6.760 -18.465 1.00 14.43 O ATOM 816 CB GLN A 50 10.842 -8.439 -15.905 1.00 45.23 C ATOM 817 CG GLN A 50 11.136 -9.548 -16.903 1.00 54.41 C ATOM 818 CD GLN A 50 12.598 -9.607 -17.297 1.00 3.31 C ATOM 819 OE1 GLN A 50 13.472 -9.812 -16.454 1.00 43.50 O ATOM 820 NE2 GLN A 50 12.873 -9.427 -18.584 1.00 31.43 N ATOM 0 H GLN A 50 8.648 -9.064 -17.444 1.00 70.53 H new ATOM 0 HA GLN A 50 9.291 -7.054 -15.365 1.00 1.40 H new ATOM 0 HB2 GLN A 50 11.699 -7.767 -15.859 1.00 45.23 H new ATOM 0 HB3 GLN A 50 10.726 -8.876 -14.913 1.00 45.23 H new ATOM 0 HG2 GLN A 50 10.841 -10.505 -16.474 1.00 54.41 H new ATOM 0 HG3 GLN A 50 10.529 -9.398 -17.796 1.00 54.41 H new ATOM 0 HE21 GLN A 50 12.117 -9.260 -19.248 1.00 31.43 H new ATOM 0 HE22 GLN A 50 13.840 -9.456 -18.908 1.00 31.43 H new ATOM 829 N GLY A 51 10.783 -5.704 -17.114 1.00 10.43 N ATOM 830 CA GLY A 51 11.142 -4.724 -18.122 1.00 42.03 C ATOM 831 C GLY A 51 12.433 -4.000 -17.793 1.00 54.25 C ATOM 832 O GLY A 51 13.106 -4.328 -16.817 1.00 31.55 O ATOM 0 H GLY A 51 11.264 -5.596 -16.221 1.00 10.43 H new ATOM 0 HA2 GLY A 51 11.243 -5.220 -19.087 1.00 42.03 H new ATOM 0 HA3 GLY A 51 10.336 -3.997 -18.221 1.00 42.03 H new ATOM 836 N PHE A 52 12.780 -3.012 -18.612 1.00 11.13 N ATOM 837 CA PHE A 52 14.000 -2.241 -18.404 1.00 41.33 C ATOM 838 C PHE A 52 13.709 -0.743 -18.433 1.00 74.23 C ATOM 839 O PHE A 52 13.362 -0.187 -19.475 1.00 54.22 O ATOM 840 CB PHE A 52 15.038 -2.591 -19.473 1.00 54.51 C ATOM 841 CG PHE A 52 15.508 -4.016 -19.409 1.00 13.44 C ATOM 842 CD1 PHE A 52 14.691 -5.048 -19.841 1.00 25.40 C ATOM 843 CD2 PHE A 52 16.766 -4.322 -18.916 1.00 32.30 C ATOM 844 CE1 PHE A 52 15.121 -6.361 -19.782 1.00 4.42 C ATOM 845 CE2 PHE A 52 17.201 -5.633 -18.855 1.00 4.32 C ATOM 846 CZ PHE A 52 16.378 -6.653 -19.289 1.00 63.04 C ATOM 0 H PHE A 52 12.234 -2.727 -19.425 1.00 11.13 H new ATOM 0 HA PHE A 52 14.399 -2.497 -17.422 1.00 41.33 H new ATOM 0 HB2 PHE A 52 14.611 -2.402 -20.458 1.00 54.51 H new ATOM 0 HB3 PHE A 52 15.897 -1.928 -19.365 1.00 54.51 H new ATOM 0 HD1 PHE A 52 13.708 -4.825 -20.228 1.00 25.40 H new ATOM 0 HD2 PHE A 52 17.414 -3.528 -18.576 1.00 32.30 H new ATOM 0 HE1 PHE A 52 14.475 -7.157 -20.121 1.00 4.42 H new ATOM 0 HE2 PHE A 52 18.184 -5.859 -18.468 1.00 4.32 H new ATOM 0 HZ PHE A 52 16.716 -7.678 -19.243 1.00 63.04 H new ATOM 856 N VAL A 53 13.852 -0.096 -17.281 1.00 35.10 N ATOM 857 CA VAL A 53 13.604 1.337 -17.173 1.00 24.30 C ATOM 858 C VAL A 53 14.891 2.095 -16.868 1.00 24.23 C ATOM 859 O VAL A 53 15.670 1.719 -15.991 1.00 33.30 O ATOM 860 CB VAL A 53 12.567 1.646 -16.078 1.00 11.45 C ATOM 861 CG1 VAL A 53 13.032 1.106 -14.734 1.00 12.54 C ATOM 862 CG2 VAL A 53 12.306 3.143 -15.999 1.00 4.11 C ATOM 0 H VAL A 53 14.138 -0.541 -16.409 1.00 35.10 H new ATOM 0 HA VAL A 53 13.212 1.664 -18.136 1.00 24.30 H new ATOM 0 HB VAL A 53 11.632 1.150 -16.338 1.00 11.45 H new ATOM 0 HG11 VAL A 53 12.286 1.334 -13.973 1.00 12.54 H new ATOM 0 HG12 VAL A 53 13.163 0.026 -14.802 1.00 12.54 H new ATOM 0 HG13 VAL A 53 13.980 1.571 -14.464 1.00 12.54 H new ATOM 0 HG21 VAL A 53 11.571 3.343 -15.220 1.00 4.11 H new ATOM 0 HG22 VAL A 53 13.235 3.662 -15.763 1.00 4.11 H new ATOM 0 HG23 VAL A 53 11.925 3.497 -16.957 1.00 4.11 H new ATOM 872 N PRO A 54 15.123 3.190 -17.607 1.00 74.20 N ATOM 873 CA PRO A 54 16.315 4.025 -17.433 1.00 54.20 C ATOM 874 C PRO A 54 16.294 4.798 -16.118 1.00 62.44 C ATOM 875 O PRO A 54 15.419 5.633 -15.892 1.00 24.00 O ATOM 876 CB PRO A 54 16.249 4.989 -18.620 1.00 73.15 C ATOM 877 CG PRO A 54 14.803 5.057 -18.973 1.00 71.04 C ATOM 878 CD PRO A 54 14.238 3.697 -18.669 1.00 60.14 C ATOM 0 HA PRO A 54 17.228 3.430 -17.399 1.00 54.20 H new ATOM 0 HB2 PRO A 54 16.638 5.972 -18.354 1.00 73.15 H new ATOM 0 HB3 PRO A 54 16.844 4.627 -19.458 1.00 73.15 H new ATOM 0 HG2 PRO A 54 14.296 5.829 -18.394 1.00 71.04 H new ATOM 0 HG3 PRO A 54 14.670 5.309 -20.025 1.00 71.04 H new ATOM 0 HD2 PRO A 54 13.202 3.758 -18.334 1.00 60.14 H new ATOM 0 HD3 PRO A 54 14.252 3.051 -19.547 1.00 60.14 H new ATOM 886 N ALA A 55 17.264 4.513 -15.255 1.00 52.12 N ATOM 887 CA ALA A 55 17.358 5.183 -13.964 1.00 42.22 C ATOM 888 C ALA A 55 17.599 6.679 -14.138 1.00 74.13 C ATOM 889 O ALA A 55 17.153 7.488 -13.325 1.00 21.43 O ATOM 890 CB ALA A 55 18.467 4.562 -13.127 1.00 53.41 C ATOM 0 H ALA A 55 17.995 3.823 -15.427 1.00 52.12 H new ATOM 0 HA ALA A 55 16.409 5.052 -13.445 1.00 42.22 H new ATOM 0 HB1 ALA A 55 18.526 5.072 -12.165 1.00 53.41 H new ATOM 0 HB2 ALA A 55 18.252 3.506 -12.965 1.00 53.41 H new ATOM 0 HB3 ALA A 55 19.418 4.663 -13.650 1.00 53.41 H new ATOM 896 N ALA A 56 18.306 7.040 -15.204 1.00 24.33 N ATOM 897 CA ALA A 56 18.605 8.438 -15.485 1.00 13.52 C ATOM 898 C ALA A 56 17.394 9.150 -16.079 1.00 35.44 C ATOM 899 O ALA A 56 17.423 10.358 -16.311 1.00 3.42 O ATOM 900 CB ALA A 56 19.796 8.545 -16.426 1.00 13.44 C ATOM 0 H ALA A 56 18.682 6.383 -15.887 1.00 24.33 H new ATOM 0 HA ALA A 56 18.855 8.926 -14.543 1.00 13.52 H new ATOM 0 HB1 ALA A 56 20.008 9.595 -16.627 1.00 13.44 H new ATOM 0 HB2 ALA A 56 20.667 8.081 -15.964 1.00 13.44 H new ATOM 0 HB3 ALA A 56 19.567 8.035 -17.362 1.00 13.44 H new ATOM 906 N TYR A 57 16.330 8.392 -16.323 1.00 11.32 N ATOM 907 CA TYR A 57 15.109 8.950 -16.893 1.00 22.01 C ATOM 908 C TYR A 57 13.915 8.695 -15.978 1.00 51.05 C ATOM 909 O TYR A 57 12.765 8.726 -16.416 1.00 52.15 O ATOM 910 CB TYR A 57 14.846 8.349 -18.274 1.00 75.44 C ATOM 911 CG TYR A 57 14.717 9.382 -19.370 1.00 54.42 C ATOM 912 CD1 TYR A 57 15.839 9.867 -20.031 1.00 22.15 C ATOM 913 CD2 TYR A 57 13.473 9.875 -19.745 1.00 11.53 C ATOM 914 CE1 TYR A 57 15.726 10.812 -21.032 1.00 25.01 C ATOM 915 CE2 TYR A 57 13.351 10.819 -20.746 1.00 14.41 C ATOM 916 CZ TYR A 57 14.480 11.285 -21.386 1.00 61.33 C ATOM 917 OH TYR A 57 14.363 12.226 -22.383 1.00 74.01 O ATOM 0 H TYR A 57 16.289 7.390 -16.135 1.00 11.32 H new ATOM 0 HA TYR A 57 15.243 10.027 -16.993 1.00 22.01 H new ATOM 0 HB2 TYR A 57 15.658 7.666 -18.524 1.00 75.44 H new ATOM 0 HB3 TYR A 57 13.932 7.757 -18.235 1.00 75.44 H new ATOM 0 HD1 TYR A 57 16.817 9.499 -19.757 1.00 22.15 H new ATOM 0 HD2 TYR A 57 12.586 9.514 -19.245 1.00 11.53 H new ATOM 0 HE1 TYR A 57 16.609 11.178 -21.535 1.00 25.01 H new ATOM 0 HE2 TYR A 57 12.376 11.190 -21.026 1.00 14.41 H new ATOM 0 HH TYR A 57 13.429 12.277 -22.676 1.00 74.01 H new ATOM 927 N VAL A 58 14.197 8.443 -14.704 1.00 52.21 N ATOM 928 CA VAL A 58 13.147 8.184 -13.726 1.00 3.44 C ATOM 929 C VAL A 58 13.512 8.762 -12.363 1.00 12.42 C ATOM 930 O VAL A 58 14.689 8.908 -12.032 1.00 31.40 O ATOM 931 CB VAL A 58 12.879 6.675 -13.576 1.00 5.02 C ATOM 932 CG1 VAL A 58 14.066 5.985 -12.920 1.00 35.41 C ATOM 933 CG2 VAL A 58 11.606 6.437 -12.779 1.00 32.11 C ATOM 0 H VAL A 58 15.143 8.413 -14.325 1.00 52.21 H new ATOM 0 HA VAL A 58 12.244 8.671 -14.095 1.00 3.44 H new ATOM 0 HB VAL A 58 12.744 6.247 -14.569 1.00 5.02 H new ATOM 0 HG11 VAL A 58 13.859 4.919 -12.822 1.00 35.41 H new ATOM 0 HG12 VAL A 58 14.955 6.127 -13.535 1.00 35.41 H new ATOM 0 HG13 VAL A 58 14.236 6.414 -11.932 1.00 35.41 H new ATOM 0 HG21 VAL A 58 11.432 5.365 -12.683 1.00 32.11 H new ATOM 0 HG22 VAL A 58 11.709 6.878 -11.788 1.00 32.11 H new ATOM 0 HG23 VAL A 58 10.763 6.897 -13.294 1.00 32.11 H new ATOM 943 N LYS A 59 12.494 9.091 -11.574 1.00 61.13 N ATOM 944 CA LYS A 59 12.705 9.652 -10.245 1.00 65.12 C ATOM 945 C LYS A 59 11.560 9.280 -9.309 1.00 62.40 C ATOM 946 O LYS A 59 10.446 9.003 -9.754 1.00 12.14 O ATOM 947 CB LYS A 59 12.837 11.174 -10.327 1.00 1.42 C ATOM 948 CG LYS A 59 13.662 11.775 -9.202 1.00 21.24 C ATOM 949 CD LYS A 59 14.344 13.061 -9.636 1.00 5.24 C ATOM 950 CE LYS A 59 14.783 13.891 -8.438 1.00 72.15 C ATOM 951 NZ LYS A 59 14.679 15.352 -8.708 1.00 74.30 N ATOM 0 H LYS A 59 11.514 8.978 -11.833 1.00 61.13 H new ATOM 0 HA LYS A 59 13.628 9.234 -9.844 1.00 65.12 H new ATOM 0 HB2 LYS A 59 13.291 11.440 -11.281 1.00 1.42 H new ATOM 0 HB3 LYS A 59 11.842 11.618 -10.313 1.00 1.42 H new ATOM 0 HG2 LYS A 59 13.019 11.975 -8.345 1.00 21.24 H new ATOM 0 HG3 LYS A 59 14.413 11.056 -8.876 1.00 21.24 H new ATOM 0 HD2 LYS A 59 15.211 12.824 -10.253 1.00 5.24 H new ATOM 0 HD3 LYS A 59 13.662 13.645 -10.254 1.00 5.24 H new ATOM 0 HE2 LYS A 59 14.168 13.636 -7.575 1.00 72.15 H new ATOM 0 HE3 LYS A 59 15.812 13.641 -8.181 1.00 72.15 H new ATOM 0 HZ1 LYS A 59 14.987 15.883 -7.868 1.00 74.30 H new ATOM 0 HZ2 LYS A 59 15.285 15.600 -9.516 1.00 74.30 H new ATOM 0 HZ3 LYS A 59 13.692 15.595 -8.929 1.00 74.30 H new ATOM 965 N LYS A 60 11.841 9.276 -8.010 1.00 61.34 N ATOM 966 CA LYS A 60 10.834 8.940 -7.010 1.00 44.43 C ATOM 967 C LYS A 60 9.613 9.844 -7.144 1.00 33.11 C ATOM 968 O LYS A 60 9.728 11.008 -7.531 1.00 31.24 O ATOM 969 CB LYS A 60 11.423 9.065 -5.603 1.00 74.20 C ATOM 970 CG LYS A 60 12.301 7.891 -5.205 1.00 11.30 C ATOM 971 CD LYS A 60 13.729 8.074 -5.690 1.00 62.03 C ATOM 972 CE LYS A 60 14.736 7.681 -4.620 1.00 60.01 C ATOM 973 NZ LYS A 60 14.615 6.245 -4.245 1.00 15.02 N ATOM 0 H LYS A 60 12.758 9.502 -7.625 1.00 61.34 H new ATOM 0 HA LYS A 60 10.521 7.909 -7.176 1.00 44.43 H new ATOM 0 HB2 LYS A 60 12.009 9.982 -5.543 1.00 74.20 H new ATOM 0 HB3 LYS A 60 10.609 9.159 -4.884 1.00 74.20 H new ATOM 0 HG2 LYS A 60 12.295 7.782 -4.120 1.00 11.30 H new ATOM 0 HG3 LYS A 60 11.890 6.971 -5.620 1.00 11.30 H new ATOM 0 HD2 LYS A 60 13.891 7.470 -6.583 1.00 62.03 H new ATOM 0 HD3 LYS A 60 13.887 9.114 -5.975 1.00 62.03 H new ATOM 0 HE2 LYS A 60 15.745 7.878 -4.981 1.00 60.01 H new ATOM 0 HE3 LYS A 60 14.587 8.301 -3.736 1.00 60.01 H new ATOM 0 HZ1 LYS A 60 15.382 5.991 -3.590 1.00 15.02 H new ATOM 0 HZ2 LYS A 60 13.697 6.083 -3.783 1.00 15.02 H new ATOM 0 HZ3 LYS A 60 14.681 5.656 -5.100 1.00 15.02 H new ATOM 987 N LEU A 61 8.444 9.302 -6.821 1.00 12.15 N ATOM 988 CA LEU A 61 7.200 10.060 -6.903 1.00 1.22 C ATOM 989 C LEU A 61 7.262 11.305 -6.023 1.00 33.41 C ATOM 990 O LEU A 61 6.520 12.264 -6.235 1.00 11.15 O ATOM 991 CB LEU A 61 6.017 9.184 -6.485 1.00 44.55 C ATOM 992 CG LEU A 61 4.757 9.305 -7.343 1.00 43.13 C ATOM 993 CD1 LEU A 61 4.274 10.747 -7.383 1.00 23.43 C ATOM 994 CD2 LEU A 61 5.019 8.790 -8.751 1.00 21.41 C ATOM 0 H LEU A 61 8.331 8.340 -6.500 1.00 12.15 H new ATOM 0 HA LEU A 61 7.063 10.375 -7.937 1.00 1.22 H new ATOM 0 HB2 LEU A 61 6.340 8.143 -6.494 1.00 44.55 H new ATOM 0 HB3 LEU A 61 5.756 9.428 -5.455 1.00 44.55 H new ATOM 0 HG LEU A 61 3.975 8.694 -6.893 1.00 43.13 H new ATOM 0 HD11 LEU A 61 3.377 10.813 -7.998 1.00 23.43 H new ATOM 0 HD12 LEU A 61 4.046 11.083 -6.371 1.00 23.43 H new ATOM 0 HD13 LEU A 61 5.053 11.380 -7.808 1.00 23.43 H new ATOM 0 HD21 LEU A 61 4.112 8.884 -9.347 1.00 21.41 H new ATOM 0 HD22 LEU A 61 5.817 9.374 -9.210 1.00 21.41 H new ATOM 0 HD23 LEU A 61 5.317 7.742 -8.706 1.00 21.41 H new ATOM 1006 N ASP A 62 8.152 11.282 -5.037 1.00 52.00 N ATOM 1007 CA ASP A 62 8.313 12.410 -4.127 1.00 30.35 C ATOM 1008 C ASP A 62 8.562 13.701 -4.900 1.00 15.13 C ATOM 1009 O ASP A 62 9.328 13.689 -5.862 1.00 31.13 O ATOM 1010 CB ASP A 62 9.468 12.150 -3.158 1.00 62.14 C ATOM 1011 CG ASP A 62 9.165 12.632 -1.753 1.00 64.32 C ATOM 1012 OD1 ASP A 62 8.789 13.812 -1.599 1.00 51.24 O ATOM 1013 OD2 ASP A 62 9.306 11.828 -0.807 1.00 53.40 O ATOM 0 H ASP A 62 8.773 10.495 -4.848 1.00 52.00 H new ATOM 0 HA ASP A 62 7.390 12.521 -3.558 1.00 30.35 H new ATOM 0 HB2 ASP A 62 9.685 11.082 -3.134 1.00 62.14 H new ATOM 0 HB3 ASP A 62 10.365 12.649 -3.525 1.00 62.14 H new HETATM 1018 N NH2 A 90 7.915 14.774 -4.469 1.00 4.44 N TER 1019 NH2 A 90