USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 803 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -149:sc= -1.61 (180deg=-3.44!) USER MOD Single : A 12 THR OG1 : rot 84:sc= 0.814 USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00217) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0.49 (180deg=0.465) USER MOD Single : A 32 ASN : amide:sc= -0.237 K(o=-0.24,f=-3.7!) USER MOD Single : A 36 MET CE :methyl -131:sc= -0.936 (180deg=-4.05!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0751 X(o=-0.075,f=-0.14) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0.353 (180deg=0.337) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -176:sc= -1.68 (180deg=-1.76) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 0.402 (180deg=0.148) USER MOD Single : A 53 THR OG1 : rot -83:sc= -2.94! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -142:sc= -0.811 (180deg=-1.93!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc=-0.00525 X(o=-0.0052,f=0) USER MOD Single : A 67 THR OG1 : rot -48:sc= 1.03 USER MOD Single : A 69 MET CE :methyl 154:sc= -0.348 (180deg=-1.2) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -129:sc= -0.055 (180deg=-2.15) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.1 F(o=-4!,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0173) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0593 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -146:sc= 0.669 (180deg=0.342) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc=-0.00522 (180deg=-0.122) USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= -0.0865 (180deg=-0.441) USER MOD Single : A 96 MET CE :methyl -161:sc= -0.11 (180deg=-0.513) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.965 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -10.173 -0.038 15.764 1.00 75.45 N ATOM 110 CA ILE A 8 -8.844 -0.670 15.579 1.00 71.03 C ATOM 111 C ILE A 8 -8.984 -2.095 14.987 1.00 1.33 C ATOM 112 O ILE A 8 -8.333 -2.415 13.996 1.00 42.33 O ATOM 113 CB ILE A 8 -8.046 -0.704 16.947 1.00 64.31 C ATOM 114 CG1 ILE A 8 -7.696 0.754 17.402 1.00 60.13 C ATOM 115 CG2 ILE A 8 -6.774 -1.597 16.876 1.00 60.54 C ATOM 116 CD1 ILE A 8 -7.006 0.874 18.755 1.00 13.13 C ATOM 0 HA ILE A 8 -8.279 -0.067 14.869 1.00 71.03 H new ATOM 0 HB ILE A 8 -8.695 -1.161 17.694 1.00 64.31 H new ATOM 0 HG12 ILE A 8 -7.055 1.207 16.646 1.00 60.13 H new ATOM 0 HG13 ILE A 8 -8.616 1.337 17.431 1.00 60.13 H new ATOM 0 HG21 ILE A 8 -6.266 -1.584 17.840 1.00 60.54 H new ATOM 0 HG22 ILE A 8 -7.061 -2.620 16.631 1.00 60.54 H new ATOM 0 HG23 ILE A 8 -6.103 -1.214 16.107 1.00 60.54 H new ATOM 0 HD11 ILE A 8 -6.810 1.924 18.971 1.00 13.13 H new ATOM 0 HD12 ILE A 8 -7.650 0.458 19.530 1.00 13.13 H new ATOM 0 HD13 ILE A 8 -6.064 0.326 18.733 1.00 13.13 H new ATOM 128 N LYS A 9 -9.868 -2.916 15.591 1.00 12.51 N ATOM 129 CA LYS A 9 -10.180 -4.288 15.108 1.00 3.42 C ATOM 130 C LYS A 9 -10.582 -4.287 13.614 1.00 52.24 C ATOM 131 O LYS A 9 -10.077 -5.093 12.823 1.00 44.23 O ATOM 132 CB LYS A 9 -11.345 -4.899 15.928 1.00 31.22 C ATOM 133 CG LYS A 9 -11.048 -5.176 17.418 1.00 73.42 C ATOM 134 CD LYS A 9 -12.332 -5.501 18.220 1.00 10.20 C ATOM 135 CE LYS A 9 -13.092 -6.730 17.676 1.00 62.21 C ATOM 136 NZ LYS A 9 -14.425 -6.876 18.302 1.00 2.44 N ATOM 0 H LYS A 9 -10.388 -2.652 16.427 1.00 12.51 H new ATOM 0 HA LYS A 9 -9.276 -4.884 15.234 1.00 3.42 H new ATOM 0 HB2 LYS A 9 -12.199 -4.225 15.867 1.00 31.22 H new ATOM 0 HB3 LYS A 9 -11.643 -5.835 15.457 1.00 31.22 H new ATOM 0 HG2 LYS A 9 -10.351 -6.010 17.499 1.00 73.42 H new ATOM 0 HG3 LYS A 9 -10.558 -4.307 17.857 1.00 73.42 H new ATOM 0 HD2 LYS A 9 -12.067 -5.678 19.262 1.00 10.20 H new ATOM 0 HD3 LYS A 9 -12.994 -4.635 18.202 1.00 10.20 H new ATOM 0 HE2 LYS A 9 -13.206 -6.637 16.596 1.00 62.21 H new ATOM 0 HE3 LYS A 9 -12.505 -7.630 17.858 1.00 62.21 H new ATOM 0 HZ1 LYS A 9 -14.903 -7.712 17.910 1.00 2.44 H new ATOM 0 HZ2 LYS A 9 -14.315 -6.990 19.330 1.00 2.44 H new ATOM 0 HZ3 LYS A 9 -14.995 -6.028 18.107 1.00 2.44 H new ATOM 150 N LYS A 10 -11.483 -3.350 13.260 1.00 75.34 N ATOM 151 CA LYS A 10 -12.010 -3.220 11.895 1.00 31.33 C ATOM 152 C LYS A 10 -10.904 -2.845 10.893 1.00 0.24 C ATOM 153 O LYS A 10 -10.666 -3.578 9.961 1.00 12.50 O ATOM 154 CB LYS A 10 -13.129 -2.151 11.841 1.00 10.04 C ATOM 155 CG LYS A 10 -14.408 -2.503 12.628 1.00 44.01 C ATOM 156 CD LYS A 10 -15.509 -1.407 12.527 1.00 34.41 C ATOM 157 CE LYS A 10 -16.214 -1.339 11.143 1.00 64.23 C ATOM 158 NZ LYS A 10 -15.313 -0.958 10.020 1.00 64.12 N ATOM 0 H LYS A 10 -11.863 -2.665 13.914 1.00 75.34 H new ATOM 0 HA LYS A 10 -12.418 -4.191 11.616 1.00 31.33 H new ATOM 0 HB2 LYS A 10 -12.732 -1.212 12.225 1.00 10.04 H new ATOM 0 HB3 LYS A 10 -13.398 -1.981 10.798 1.00 10.04 H new ATOM 0 HG2 LYS A 10 -14.808 -3.446 12.256 1.00 44.01 H new ATOM 0 HG3 LYS A 10 -14.152 -2.656 13.676 1.00 44.01 H new ATOM 0 HD2 LYS A 10 -16.259 -1.590 13.296 1.00 34.41 H new ATOM 0 HD3 LYS A 10 -15.061 -0.437 12.742 1.00 34.41 H new ATOM 0 HE2 LYS A 10 -16.658 -2.310 10.925 1.00 64.23 H new ATOM 0 HE3 LYS A 10 -17.032 -0.620 11.199 1.00 64.23 H new ATOM 0 HZ1 LYS A 10 -15.855 -0.438 9.301 1.00 64.12 H new ATOM 0 HZ2 LYS A 10 -14.547 -0.354 10.379 1.00 64.12 H new ATOM 0 HZ3 LYS A 10 -14.907 -1.816 9.594 1.00 64.12 H new ATOM 172 N VAL A 11 -10.179 -1.739 11.146 1.00 42.02 N ATOM 173 CA VAL A 11 -9.177 -1.205 10.189 1.00 10.34 C ATOM 174 C VAL A 11 -7.915 -2.102 10.084 1.00 24.40 C ATOM 175 O VAL A 11 -7.226 -2.082 9.065 1.00 52.11 O ATOM 176 CB VAL A 11 -8.766 0.280 10.523 1.00 35.44 C ATOM 177 CG1 VAL A 11 -10.000 1.220 10.470 1.00 51.31 C ATOM 178 CG2 VAL A 11 -8.039 0.382 11.891 1.00 1.15 C ATOM 0 H VAL A 11 -10.265 -1.194 12.004 1.00 42.02 H new ATOM 0 HA VAL A 11 -9.669 -1.210 9.216 1.00 10.34 H new ATOM 0 HB VAL A 11 -8.060 0.605 9.759 1.00 35.44 H new ATOM 0 HG11 VAL A 11 -9.692 2.239 10.704 1.00 51.31 H new ATOM 0 HG12 VAL A 11 -10.435 1.193 9.471 1.00 51.31 H new ATOM 0 HG13 VAL A 11 -10.741 0.889 11.198 1.00 51.31 H new ATOM 0 HG21 VAL A 11 -7.772 1.421 12.085 1.00 1.15 H new ATOM 0 HG22 VAL A 11 -8.699 0.023 12.681 1.00 1.15 H new ATOM 0 HG23 VAL A 11 -7.135 -0.227 11.869 1.00 1.15 H new ATOM 188 N THR A 12 -7.625 -2.878 11.149 1.00 43.21 N ATOM 189 CA THR A 12 -6.524 -3.877 11.146 1.00 42.52 C ATOM 190 C THR A 12 -6.904 -5.122 10.302 1.00 61.44 C ATOM 191 O THR A 12 -6.066 -5.672 9.597 1.00 11.23 O ATOM 192 CB THR A 12 -6.120 -4.308 12.603 1.00 14.42 C ATOM 193 OG1 THR A 12 -5.686 -3.154 13.349 1.00 60.24 O ATOM 194 CG2 THR A 12 -4.993 -5.361 12.627 1.00 73.23 C ATOM 0 H THR A 12 -8.139 -2.835 12.029 1.00 43.21 H new ATOM 0 HA THR A 12 -5.659 -3.396 10.689 1.00 42.52 H new ATOM 0 HB THR A 12 -7.006 -4.757 13.053 1.00 14.42 H new ATOM 0 HG1 THR A 12 -6.466 -2.692 13.720 1.00 60.24 H new ATOM 0 HG21 THR A 12 -4.758 -5.619 13.660 1.00 73.23 H new ATOM 0 HG22 THR A 12 -5.319 -6.255 12.095 1.00 73.23 H new ATOM 0 HG23 THR A 12 -4.105 -4.954 12.143 1.00 73.23 H new ATOM 202 N ASP A 13 -8.180 -5.548 10.372 1.00 15.21 N ATOM 203 CA ASP A 13 -8.698 -6.687 9.573 1.00 54.52 C ATOM 204 C ASP A 13 -8.900 -6.277 8.080 1.00 55.20 C ATOM 205 O ASP A 13 -8.572 -7.035 7.164 1.00 44.15 O ATOM 206 CB ASP A 13 -10.025 -7.204 10.191 1.00 11.25 C ATOM 207 CG ASP A 13 -10.543 -8.491 9.518 1.00 14.34 C ATOM 208 OD1 ASP A 13 -10.132 -9.596 9.932 1.00 11.45 O ATOM 209 OD2 ASP A 13 -11.358 -8.404 8.572 1.00 24.42 O ATOM 0 H ASP A 13 -8.880 -5.119 10.978 1.00 15.21 H new ATOM 0 HA ASP A 13 -7.964 -7.492 9.596 1.00 54.52 H new ATOM 0 HB2 ASP A 13 -9.875 -7.392 11.254 1.00 11.25 H new ATOM 0 HB3 ASP A 13 -10.785 -6.427 10.109 1.00 11.25 H new ATOM 214 N GLU A 14 -9.432 -5.060 7.868 1.00 63.22 N ATOM 215 CA GLU A 14 -9.619 -4.444 6.526 1.00 10.41 C ATOM 216 C GLU A 14 -8.256 -4.161 5.862 1.00 21.31 C ATOM 217 O GLU A 14 -8.155 -4.117 4.640 1.00 44.43 O ATOM 218 CB GLU A 14 -10.462 -3.136 6.636 1.00 54.32 C ATOM 219 CG GLU A 14 -11.910 -3.349 7.132 1.00 53.15 C ATOM 220 CD GLU A 14 -12.699 -2.033 7.285 1.00 15.21 C ATOM 221 OE1 GLU A 14 -13.124 -1.455 6.257 1.00 73.11 O ATOM 222 OE2 GLU A 14 -12.903 -1.572 8.431 1.00 60.11 O ATOM 0 H GLU A 14 -9.751 -4.462 8.630 1.00 63.22 H new ATOM 0 HA GLU A 14 -10.163 -5.149 5.898 1.00 10.41 H new ATOM 0 HB2 GLU A 14 -9.956 -2.448 7.314 1.00 54.32 H new ATOM 0 HB3 GLU A 14 -10.493 -2.655 5.658 1.00 54.32 H new ATOM 0 HG2 GLU A 14 -12.435 -4.000 6.433 1.00 53.15 H new ATOM 0 HG3 GLU A 14 -11.886 -3.865 8.092 1.00 53.15 H new ATOM 229 N LEU A 15 -7.215 -3.975 6.699 1.00 44.12 N ATOM 230 CA LEU A 15 -5.804 -3.889 6.259 1.00 44.33 C ATOM 231 C LEU A 15 -5.358 -5.179 5.514 1.00 11.34 C ATOM 232 O LEU A 15 -4.645 -5.090 4.524 1.00 24.22 O ATOM 233 CB LEU A 15 -4.904 -3.560 7.495 1.00 45.51 C ATOM 234 CG LEU A 15 -3.336 -3.598 7.319 1.00 2.21 C ATOM 235 CD1 LEU A 15 -2.644 -2.524 8.195 1.00 53.24 C ATOM 236 CD2 LEU A 15 -2.762 -5.001 7.654 1.00 2.53 C ATOM 0 H LEU A 15 -7.329 -3.879 7.708 1.00 44.12 H new ATOM 0 HA LEU A 15 -5.696 -3.082 5.534 1.00 44.33 H new ATOM 0 HB2 LEU A 15 -5.174 -2.564 7.845 1.00 45.51 H new ATOM 0 HB3 LEU A 15 -5.165 -4.259 8.290 1.00 45.51 H new ATOM 0 HG LEU A 15 -3.128 -3.379 6.272 1.00 2.21 H new ATOM 0 HD11 LEU A 15 -1.565 -2.577 8.051 1.00 53.24 H new ATOM 0 HD12 LEU A 15 -3.001 -1.535 7.908 1.00 53.24 H new ATOM 0 HD13 LEU A 15 -2.879 -2.704 9.244 1.00 53.24 H new ATOM 0 HD21 LEU A 15 -1.680 -4.992 7.522 1.00 2.53 H new ATOM 0 HD22 LEU A 15 -3.000 -5.254 8.687 1.00 2.53 H new ATOM 0 HD23 LEU A 15 -3.202 -5.743 6.988 1.00 2.53 H new ATOM 248 N LYS A 16 -5.797 -6.373 5.990 1.00 62.42 N ATOM 249 CA LYS A 16 -5.519 -7.675 5.291 1.00 63.14 C ATOM 250 C LYS A 16 -6.210 -7.714 3.906 1.00 74.53 C ATOM 251 O LYS A 16 -5.610 -8.151 2.918 1.00 53.14 O ATOM 252 CB LYS A 16 -5.988 -8.916 6.118 1.00 72.20 C ATOM 253 CG LYS A 16 -5.094 -9.348 7.302 1.00 30.44 C ATOM 254 CD LYS A 16 -4.993 -8.284 8.411 1.00 72.32 C ATOM 255 CE LYS A 16 -4.411 -8.834 9.719 1.00 71.42 C ATOM 256 NZ LYS A 16 -3.057 -9.414 9.539 1.00 3.44 N ATOM 0 H LYS A 16 -6.341 -6.471 6.847 1.00 62.42 H new ATOM 0 HA LYS A 16 -4.437 -7.729 5.176 1.00 63.14 H new ATOM 0 HB2 LYS A 16 -6.986 -8.708 6.505 1.00 72.20 H new ATOM 0 HB3 LYS A 16 -6.080 -9.762 5.437 1.00 72.20 H new ATOM 0 HG2 LYS A 16 -5.489 -10.270 7.728 1.00 30.44 H new ATOM 0 HG3 LYS A 16 -4.094 -9.571 6.930 1.00 30.44 H new ATOM 0 HD2 LYS A 16 -4.371 -7.460 8.061 1.00 72.32 H new ATOM 0 HD3 LYS A 16 -5.984 -7.874 8.605 1.00 72.32 H new ATOM 0 HE2 LYS A 16 -4.365 -8.033 10.457 1.00 71.42 H new ATOM 0 HE3 LYS A 16 -5.079 -9.597 10.118 1.00 71.42 H new ATOM 0 HZ1 LYS A 16 -2.701 -9.756 10.454 1.00 3.44 H new ATOM 0 HZ2 LYS A 16 -3.105 -10.207 8.868 1.00 3.44 H new ATOM 0 HZ3 LYS A 16 -2.414 -8.686 9.168 1.00 3.44 H new ATOM 270 N GLU A 17 -7.479 -7.258 3.866 1.00 11.25 N ATOM 271 CA GLU A 17 -8.278 -7.149 2.615 1.00 4.33 C ATOM 272 C GLU A 17 -7.624 -6.173 1.618 1.00 70.52 C ATOM 273 O GLU A 17 -7.601 -6.408 0.408 1.00 3.42 O ATOM 274 CB GLU A 17 -9.725 -6.674 2.941 1.00 14.24 C ATOM 275 CG GLU A 17 -10.530 -7.622 3.856 1.00 21.22 C ATOM 276 CD GLU A 17 -10.765 -9.008 3.229 1.00 53.41 C ATOM 277 OE1 GLU A 17 -11.613 -9.120 2.313 1.00 41.31 O ATOM 278 OE2 GLU A 17 -10.108 -9.990 3.640 1.00 75.20 O ATOM 0 H GLU A 17 -7.984 -6.953 4.698 1.00 11.25 H new ATOM 0 HA GLU A 17 -8.315 -8.137 2.155 1.00 4.33 H new ATOM 0 HB2 GLU A 17 -9.672 -5.694 3.415 1.00 14.24 H new ATOM 0 HB3 GLU A 17 -10.269 -6.547 2.005 1.00 14.24 H new ATOM 0 HG2 GLU A 17 -10.000 -7.742 4.801 1.00 21.22 H new ATOM 0 HG3 GLU A 17 -11.493 -7.165 4.086 1.00 21.22 H new ATOM 285 N LEU A 18 -7.057 -5.109 2.171 1.00 43.02 N ATOM 286 CA LEU A 18 -6.467 -4.002 1.408 1.00 3.02 C ATOM 287 C LEU A 18 -5.128 -4.437 0.771 1.00 45.30 C ATOM 288 O LEU A 18 -4.885 -4.205 -0.416 1.00 52.13 O ATOM 289 CB LEU A 18 -6.292 -2.773 2.365 1.00 2.02 C ATOM 290 CG LEU A 18 -6.595 -1.372 1.752 1.00 13.44 C ATOM 291 CD1 LEU A 18 -7.898 -1.404 0.939 1.00 45.42 C ATOM 292 CD2 LEU A 18 -6.653 -0.285 2.852 1.00 64.31 C ATOM 0 H LEU A 18 -6.990 -4.983 3.181 1.00 43.02 H new ATOM 0 HA LEU A 18 -7.125 -3.715 0.588 1.00 3.02 H new ATOM 0 HB2 LEU A 18 -6.942 -2.916 3.228 1.00 2.02 H new ATOM 0 HB3 LEU A 18 -5.267 -2.770 2.735 1.00 2.02 H new ATOM 0 HG LEU A 18 -5.780 -1.116 1.075 1.00 13.44 H new ATOM 0 HD11 LEU A 18 -8.090 -0.416 0.520 1.00 45.42 H new ATOM 0 HD12 LEU A 18 -7.805 -2.129 0.130 1.00 45.42 H new ATOM 0 HD13 LEU A 18 -8.725 -1.690 1.589 1.00 45.42 H new ATOM 0 HD21 LEU A 18 -6.866 0.682 2.397 1.00 64.31 H new ATOM 0 HD22 LEU A 18 -7.439 -0.531 3.566 1.00 64.31 H new ATOM 0 HD23 LEU A 18 -5.695 -0.240 3.369 1.00 64.31 H new ATOM 304 N ILE A 19 -4.277 -5.063 1.597 1.00 41.14 N ATOM 305 CA ILE A 19 -3.017 -5.716 1.168 1.00 21.32 C ATOM 306 C ILE A 19 -3.285 -6.772 0.071 1.00 54.30 C ATOM 307 O ILE A 19 -2.589 -6.814 -0.943 1.00 63.33 O ATOM 308 CB ILE A 19 -2.297 -6.367 2.430 1.00 44.53 C ATOM 309 CG1 ILE A 19 -1.674 -5.249 3.335 1.00 64.52 C ATOM 310 CG2 ILE A 19 -1.240 -7.447 2.060 1.00 5.33 C ATOM 311 CD1 ILE A 19 -1.078 -5.745 4.645 1.00 2.31 C ATOM 0 H ILE A 19 -4.442 -5.135 2.601 1.00 41.14 H new ATOM 0 HA ILE A 19 -2.357 -4.963 0.737 1.00 21.32 H new ATOM 0 HB ILE A 19 -3.069 -6.896 2.990 1.00 44.53 H new ATOM 0 HG12 ILE A 19 -0.896 -4.736 2.770 1.00 64.52 H new ATOM 0 HG13 ILE A 19 -2.445 -4.511 3.559 1.00 64.52 H new ATOM 0 HG21 ILE A 19 -0.792 -7.845 2.971 1.00 5.33 H new ATOM 0 HG22 ILE A 19 -1.723 -8.255 1.510 1.00 5.33 H new ATOM 0 HG23 ILE A 19 -0.464 -6.999 1.440 1.00 5.33 H new ATOM 0 HD11 ILE A 19 -0.672 -4.901 5.203 1.00 2.31 H new ATOM 0 HD12 ILE A 19 -1.854 -6.231 5.237 1.00 2.31 H new ATOM 0 HD13 ILE A 19 -0.281 -6.459 4.435 1.00 2.31 H new ATOM 323 N GLN A 20 -4.330 -7.583 0.279 1.00 12.15 N ATOM 324 CA GLN A 20 -4.751 -8.640 -0.668 1.00 74.22 C ATOM 325 C GLN A 20 -5.118 -8.055 -2.052 1.00 74.44 C ATOM 326 O GLN A 20 -4.703 -8.586 -3.082 1.00 44.43 O ATOM 327 CB GLN A 20 -5.956 -9.404 -0.068 1.00 5.41 C ATOM 328 CG GLN A 20 -6.452 -10.602 -0.895 1.00 3.22 C ATOM 329 CD GLN A 20 -7.542 -11.403 -0.180 1.00 3.22 C ATOM 330 OE1 GLN A 20 -7.256 -12.345 0.552 1.00 72.55 O ATOM 331 NE2 GLN A 20 -8.790 -11.029 -0.372 1.00 53.24 N ATOM 0 H GLN A 20 -4.915 -7.529 1.113 1.00 12.15 H new ATOM 0 HA GLN A 20 -3.916 -9.324 -0.819 1.00 74.22 H new ATOM 0 HB2 GLN A 20 -5.682 -9.758 0.926 1.00 5.41 H new ATOM 0 HB3 GLN A 20 -6.782 -8.704 0.059 1.00 5.41 H new ATOM 0 HG2 GLN A 20 -6.837 -10.244 -1.850 1.00 3.22 H new ATOM 0 HG3 GLN A 20 -5.611 -11.259 -1.116 1.00 3.22 H new ATOM 0 HE21 GLN A 20 -8.998 -10.242 -0.986 1.00 53.24 H new ATOM 0 HE22 GLN A 20 -9.549 -11.527 0.094 1.00 53.24 H new ATOM 340 N ASN A 21 -5.877 -6.941 -2.047 1.00 2.44 N ATOM 341 CA ASN A 21 -6.298 -6.238 -3.283 1.00 51.21 C ATOM 342 C ASN A 21 -5.100 -5.589 -4.021 1.00 65.20 C ATOM 343 O ASN A 21 -5.017 -5.671 -5.244 1.00 12.12 O ATOM 344 CB ASN A 21 -7.385 -5.174 -2.958 1.00 52.32 C ATOM 345 CG ASN A 21 -8.766 -5.761 -2.616 1.00 4.23 C ATOM 346 OD1 ASN A 21 -8.826 -6.960 -2.052 1.00 73.43 O flip ATOM 347 ND2 ASN A 21 -9.791 -5.130 -2.859 1.00 1.41 N flip ATOM 0 H ASN A 21 -6.216 -6.502 -1.191 1.00 2.44 H new ATOM 0 HA ASN A 21 -6.723 -6.984 -3.955 1.00 51.21 H new ATOM 0 HB2 ASN A 21 -7.043 -4.568 -2.119 1.00 52.32 H new ATOM 0 HB3 ASN A 21 -7.489 -4.506 -3.813 1.00 52.32 H new ATOM 0 HD21 ASN A 21 -9.732 -4.209 -3.293 1.00 1.41 H new ATOM 0 HD22 ASN A 21 -10.701 -5.527 -2.627 1.00 1.41 H new ATOM 354 N VAL A 22 -4.176 -4.963 -3.263 1.00 3.14 N ATOM 355 CA VAL A 22 -2.964 -4.324 -3.838 1.00 41.52 C ATOM 356 C VAL A 22 -2.024 -5.370 -4.483 1.00 11.41 C ATOM 357 O VAL A 22 -1.628 -5.206 -5.630 1.00 73.32 O ATOM 358 CB VAL A 22 -2.179 -3.476 -2.767 1.00 3.34 C ATOM 359 CG1 VAL A 22 -0.799 -3.006 -3.289 1.00 24.52 C ATOM 360 CG2 VAL A 22 -3.015 -2.264 -2.317 1.00 23.33 C ATOM 0 H VAL A 22 -4.243 -4.884 -2.248 1.00 3.14 H new ATOM 0 HA VAL A 22 -3.311 -3.644 -4.616 1.00 41.52 H new ATOM 0 HB VAL A 22 -2.002 -4.128 -1.912 1.00 3.34 H new ATOM 0 HG11 VAL A 22 -0.296 -2.426 -2.516 1.00 24.52 H new ATOM 0 HG12 VAL A 22 -0.191 -3.874 -3.544 1.00 24.52 H new ATOM 0 HG13 VAL A 22 -0.937 -2.387 -4.175 1.00 24.52 H new ATOM 0 HG21 VAL A 22 -2.456 -1.691 -1.577 1.00 23.33 H new ATOM 0 HG22 VAL A 22 -3.232 -1.632 -3.178 1.00 23.33 H new ATOM 0 HG23 VAL A 22 -3.950 -2.610 -1.877 1.00 23.33 H new ATOM 370 N ASN A 23 -1.686 -6.439 -3.734 1.00 32.43 N ATOM 371 CA ASN A 23 -0.838 -7.550 -4.243 1.00 61.13 C ATOM 372 C ASN A 23 -1.462 -8.221 -5.490 1.00 3.31 C ATOM 373 O ASN A 23 -0.743 -8.571 -6.426 1.00 4.25 O ATOM 374 CB ASN A 23 -0.561 -8.614 -3.139 1.00 21.44 C ATOM 375 CG ASN A 23 0.492 -8.159 -2.124 1.00 61.42 C ATOM 376 OD1 ASN A 23 1.676 -8.162 -2.407 1.00 20.13 O ATOM 377 ND2 ASN A 23 0.083 -7.821 -0.925 1.00 74.51 N ATOM 0 H ASN A 23 -1.987 -6.562 -2.767 1.00 32.43 H new ATOM 0 HA ASN A 23 0.114 -7.108 -4.536 1.00 61.13 H new ATOM 0 HB2 ASN A 23 -1.490 -8.837 -2.615 1.00 21.44 H new ATOM 0 HB3 ASN A 23 -0.229 -9.540 -3.609 1.00 21.44 H new ATOM 0 HD21 ASN A 23 0.761 -7.555 -0.211 1.00 74.51 H new ATOM 0 HD22 ASN A 23 -0.913 -7.824 -0.706 1.00 74.51 H new ATOM 384 N ASP A 24 -2.804 -8.362 -5.495 1.00 33.51 N ATOM 385 CA ASP A 24 -3.557 -8.942 -6.632 1.00 11.01 C ATOM 386 C ASP A 24 -3.467 -8.022 -7.884 1.00 20.32 C ATOM 387 O ASP A 24 -3.241 -8.493 -9.001 1.00 33.22 O ATOM 388 CB ASP A 24 -5.030 -9.175 -6.212 1.00 63.03 C ATOM 389 CG ASP A 24 -5.831 -9.980 -7.246 1.00 32.12 C ATOM 390 OD1 ASP A 24 -5.706 -11.225 -7.263 1.00 33.23 O ATOM 391 OD2 ASP A 24 -6.581 -9.377 -8.048 1.00 3.41 O ATOM 0 H ASP A 24 -3.397 -8.079 -4.715 1.00 33.51 H new ATOM 0 HA ASP A 24 -3.114 -9.901 -6.901 1.00 11.01 H new ATOM 0 HB2 ASP A 24 -5.051 -9.700 -5.257 1.00 63.03 H new ATOM 0 HB3 ASP A 24 -5.514 -8.211 -6.057 1.00 63.03 H new ATOM 396 N ASP A 25 -3.628 -6.707 -7.658 1.00 34.12 N ATOM 397 CA ASP A 25 -3.477 -5.662 -8.699 1.00 43.44 C ATOM 398 C ASP A 25 -2.036 -5.587 -9.256 1.00 34.31 C ATOM 399 O ASP A 25 -1.855 -5.358 -10.446 1.00 43.44 O ATOM 400 CB ASP A 25 -3.910 -4.277 -8.126 1.00 51.14 C ATOM 401 CG ASP A 25 -5.412 -3.995 -8.273 1.00 53.53 C ATOM 402 OD1 ASP A 25 -6.244 -4.798 -7.793 1.00 40.22 O ATOM 403 OD2 ASP A 25 -5.774 -2.983 -8.903 1.00 12.44 O ATOM 0 H ASP A 25 -3.869 -6.331 -6.741 1.00 34.12 H new ATOM 0 HA ASP A 25 -4.126 -5.934 -9.532 1.00 43.44 H new ATOM 0 HB2 ASP A 25 -3.641 -4.229 -7.071 1.00 51.14 H new ATOM 0 HB3 ASP A 25 -3.350 -3.492 -8.633 1.00 51.14 H new ATOM 408 N ILE A 26 -1.022 -5.777 -8.385 1.00 11.50 N ATOM 409 CA ILE A 26 0.408 -5.775 -8.793 1.00 73.01 C ATOM 410 C ILE A 26 0.713 -6.958 -9.755 1.00 51.01 C ATOM 411 O ILE A 26 1.505 -6.811 -10.689 1.00 41.31 O ATOM 412 CB ILE A 26 1.365 -5.784 -7.531 1.00 2.31 C ATOM 413 CG1 ILE A 26 1.247 -4.426 -6.753 1.00 72.42 C ATOM 414 CG2 ILE A 26 2.841 -6.080 -7.909 1.00 2.12 C ATOM 415 CD1 ILE A 26 2.061 -4.330 -5.468 1.00 42.11 C ATOM 0 H ILE A 26 -1.164 -5.935 -7.387 1.00 11.50 H new ATOM 0 HA ILE A 26 0.602 -4.851 -9.338 1.00 73.01 H new ATOM 0 HB ILE A 26 1.041 -6.596 -6.881 1.00 2.31 H new ATOM 0 HG12 ILE A 26 1.555 -3.619 -7.418 1.00 72.42 H new ATOM 0 HG13 ILE A 26 0.198 -4.257 -6.511 1.00 72.42 H new ATOM 0 HG21 ILE A 26 3.455 -6.075 -7.009 1.00 2.12 H new ATOM 0 HG22 ILE A 26 2.905 -7.058 -8.386 1.00 2.12 H new ATOM 0 HG23 ILE A 26 3.200 -5.316 -8.598 1.00 2.12 H new ATOM 0 HD11 ILE A 26 1.907 -3.352 -5.012 1.00 42.11 H new ATOM 0 HD12 ILE A 26 1.741 -5.108 -4.775 1.00 42.11 H new ATOM 0 HD13 ILE A 26 3.119 -4.461 -5.697 1.00 42.11 H new ATOM 427 N LYS A 27 0.039 -8.108 -9.539 1.00 54.43 N ATOM 428 CA LYS A 27 0.088 -9.272 -10.471 1.00 13.54 C ATOM 429 C LYS A 27 -0.472 -8.888 -11.860 1.00 10.32 C ATOM 430 O LYS A 27 0.029 -9.326 -12.901 1.00 64.41 O ATOM 431 CB LYS A 27 -0.725 -10.456 -9.884 1.00 32.44 C ATOM 432 CG LYS A 27 -0.250 -10.919 -8.491 1.00 52.13 C ATOM 433 CD LYS A 27 -1.284 -11.824 -7.783 1.00 75.32 C ATOM 434 CE LYS A 27 -0.894 -12.142 -6.329 1.00 0.12 C ATOM 435 NZ LYS A 27 -1.934 -12.935 -5.633 1.00 52.32 N ATOM 0 H LYS A 27 -0.552 -8.263 -8.722 1.00 54.43 H new ATOM 0 HA LYS A 27 1.129 -9.573 -10.589 1.00 13.54 H new ATOM 0 HB2 LYS A 27 -1.774 -10.166 -9.820 1.00 32.44 H new ATOM 0 HB3 LYS A 27 -0.669 -11.298 -10.573 1.00 32.44 H new ATOM 0 HG2 LYS A 27 0.691 -11.459 -8.593 1.00 52.13 H new ATOM 0 HG3 LYS A 27 -0.051 -10.046 -7.870 1.00 52.13 H new ATOM 0 HD2 LYS A 27 -2.258 -11.335 -7.795 1.00 75.32 H new ATOM 0 HD3 LYS A 27 -1.388 -12.755 -8.340 1.00 75.32 H new ATOM 0 HE2 LYS A 27 0.047 -12.691 -6.319 1.00 0.12 H new ATOM 0 HE3 LYS A 27 -0.726 -11.211 -5.787 1.00 0.12 H new ATOM 0 HZ1 LYS A 27 -1.630 -13.126 -4.657 1.00 52.32 H new ATOM 0 HZ2 LYS A 27 -2.826 -12.401 -5.619 1.00 52.32 H new ATOM 0 HZ3 LYS A 27 -2.077 -13.835 -6.134 1.00 52.32 H new ATOM 449 N GLU A 28 -1.512 -8.042 -11.850 1.00 14.15 N ATOM 450 CA GLU A 28 -2.133 -7.499 -13.073 1.00 45.11 C ATOM 451 C GLU A 28 -1.259 -6.390 -13.713 1.00 33.34 C ATOM 452 O GLU A 28 -1.399 -6.088 -14.900 1.00 30.34 O ATOM 453 CB GLU A 28 -3.560 -6.987 -12.766 1.00 21.44 C ATOM 454 CG GLU A 28 -4.470 -8.020 -12.061 1.00 30.41 C ATOM 455 CD GLU A 28 -4.629 -9.343 -12.836 1.00 61.12 C ATOM 456 OE1 GLU A 28 -5.437 -9.388 -13.786 1.00 64.53 O ATOM 457 OE2 GLU A 28 -3.953 -10.345 -12.504 1.00 71.31 O ATOM 0 H GLU A 28 -1.950 -7.712 -10.990 1.00 14.15 H new ATOM 0 HA GLU A 28 -2.207 -8.305 -13.803 1.00 45.11 H new ATOM 0 HB2 GLU A 28 -3.487 -6.098 -12.140 1.00 21.44 H new ATOM 0 HB3 GLU A 28 -4.032 -6.682 -13.700 1.00 21.44 H new ATOM 0 HG2 GLU A 28 -4.062 -8.235 -11.074 1.00 30.41 H new ATOM 0 HG3 GLU A 28 -5.455 -7.578 -11.909 1.00 30.41 H new ATOM 464 N VAL A 29 -0.400 -5.736 -12.912 1.00 10.24 N ATOM 465 CA VAL A 29 0.634 -4.829 -13.457 1.00 55.25 C ATOM 466 C VAL A 29 1.851 -5.635 -14.023 1.00 33.45 C ATOM 467 O VAL A 29 2.581 -5.157 -14.890 1.00 44.55 O ATOM 468 CB VAL A 29 1.140 -3.773 -12.406 1.00 55.32 C ATOM 469 CG1 VAL A 29 2.051 -2.743 -13.091 1.00 51.32 C ATOM 470 CG2 VAL A 29 -0.024 -3.048 -11.682 1.00 73.12 C ATOM 0 H VAL A 29 -0.398 -5.815 -11.895 1.00 10.24 H new ATOM 0 HA VAL A 29 0.154 -4.281 -14.267 1.00 55.25 H new ATOM 0 HB VAL A 29 1.701 -4.320 -11.648 1.00 55.32 H new ATOM 0 HG11 VAL A 29 2.396 -2.016 -12.355 1.00 51.32 H new ATOM 0 HG12 VAL A 29 2.910 -3.251 -13.529 1.00 51.32 H new ATOM 0 HG13 VAL A 29 1.494 -2.229 -13.875 1.00 51.32 H new ATOM 0 HG21 VAL A 29 0.382 -2.331 -10.968 1.00 73.12 H new ATOM 0 HG22 VAL A 29 -0.638 -2.523 -12.414 1.00 73.12 H new ATOM 0 HG23 VAL A 29 -0.636 -3.779 -11.154 1.00 73.12 H new ATOM 480 N GLU A 30 2.066 -6.872 -13.534 1.00 72.42 N ATOM 481 CA GLU A 30 3.145 -7.755 -14.057 1.00 44.44 C ATOM 482 C GLU A 30 2.867 -8.216 -15.513 1.00 44.31 C ATOM 483 O GLU A 30 3.794 -8.610 -16.229 1.00 73.22 O ATOM 484 CB GLU A 30 3.372 -8.974 -13.120 1.00 23.12 C ATOM 485 CG GLU A 30 3.987 -8.617 -11.748 1.00 13.52 C ATOM 486 CD GLU A 30 4.223 -9.849 -10.859 1.00 11.11 C ATOM 487 OE1 GLU A 30 3.314 -10.229 -10.092 1.00 45.14 O ATOM 488 OE2 GLU A 30 5.310 -10.463 -10.942 1.00 32.22 O ATOM 0 H GLU A 30 1.515 -7.287 -12.783 1.00 72.42 H new ATOM 0 HA GLU A 30 4.061 -7.165 -14.077 1.00 44.44 H new ATOM 0 HB2 GLU A 30 2.418 -9.475 -12.958 1.00 23.12 H new ATOM 0 HB3 GLU A 30 4.025 -9.687 -13.623 1.00 23.12 H new ATOM 0 HG2 GLU A 30 4.934 -8.101 -11.903 1.00 13.52 H new ATOM 0 HG3 GLU A 30 3.327 -7.922 -11.229 1.00 13.52 H new ATOM 495 N LYS A 31 1.587 -8.167 -15.940 1.00 42.32 N ATOM 496 CA LYS A 31 1.204 -8.422 -17.353 1.00 4.32 C ATOM 497 C LYS A 31 1.156 -7.099 -18.174 1.00 5.50 C ATOM 498 O LYS A 31 1.376 -7.111 -19.390 1.00 4.44 O ATOM 499 CB LYS A 31 -0.150 -9.188 -17.424 1.00 42.24 C ATOM 500 CG LYS A 31 -1.357 -8.421 -16.843 1.00 52.32 C ATOM 501 CD LYS A 31 -2.660 -9.253 -16.765 1.00 10.32 C ATOM 502 CE LYS A 31 -2.523 -10.493 -15.855 1.00 15.34 C ATOM 503 NZ LYS A 31 -3.822 -11.169 -15.630 1.00 25.31 N ATOM 0 H LYS A 31 0.798 -7.953 -15.329 1.00 42.32 H new ATOM 0 HA LYS A 31 1.970 -9.053 -17.804 1.00 4.32 H new ATOM 0 HB2 LYS A 31 -0.359 -9.432 -18.465 1.00 42.24 H new ATOM 0 HB3 LYS A 31 -0.046 -10.132 -16.890 1.00 42.24 H new ATOM 0 HG2 LYS A 31 -1.103 -8.070 -15.843 1.00 52.32 H new ATOM 0 HG3 LYS A 31 -1.540 -7.537 -17.454 1.00 52.32 H new ATOM 0 HD2 LYS A 31 -3.467 -8.622 -16.393 1.00 10.32 H new ATOM 0 HD3 LYS A 31 -2.942 -9.573 -17.768 1.00 10.32 H new ATOM 0 HE2 LYS A 31 -1.823 -11.196 -16.305 1.00 15.34 H new ATOM 0 HE3 LYS A 31 -2.101 -10.193 -14.896 1.00 15.34 H new ATOM 0 HZ1 LYS A 31 -3.669 -12.041 -15.085 1.00 25.31 H new ATOM 0 HZ2 LYS A 31 -4.455 -10.536 -15.101 1.00 25.31 H new ATOM 0 HZ3 LYS A 31 -4.254 -11.404 -16.546 1.00 25.31 H new ATOM 517 N ASN A 32 0.867 -5.959 -17.501 1.00 10.34 N ATOM 518 CA ASN A 32 0.859 -4.613 -18.136 1.00 22.40 C ATOM 519 C ASN A 32 1.524 -3.580 -17.181 1.00 0.00 C ATOM 520 O ASN A 32 0.843 -3.014 -16.314 1.00 13.12 O ATOM 521 CB ASN A 32 -0.595 -4.175 -18.484 1.00 72.32 C ATOM 522 CG ASN A 32 -0.688 -2.914 -19.368 1.00 34.03 C ATOM 523 OD1 ASN A 32 0.197 -2.062 -19.399 1.00 34.01 O ATOM 524 ND2 ASN A 32 -1.785 -2.772 -20.080 1.00 14.43 N ATOM 0 H ASN A 32 0.634 -5.943 -16.508 1.00 10.34 H new ATOM 0 HA ASN A 32 1.428 -4.659 -19.065 1.00 22.40 H new ATOM 0 HB2 ASN A 32 -1.097 -4.998 -18.993 1.00 72.32 H new ATOM 0 HB3 ASN A 32 -1.139 -3.994 -17.557 1.00 72.32 H new ATOM 0 HD21 ASN A 32 -1.909 -1.947 -20.667 1.00 14.43 H new ATOM 0 HD22 ASN A 32 -2.512 -3.487 -20.045 1.00 14.43 H new ATOM 531 N PRO A 33 2.867 -3.307 -17.322 1.00 31.40 N ATOM 532 CA PRO A 33 3.592 -2.360 -16.423 1.00 43.41 C ATOM 533 C PRO A 33 3.205 -0.875 -16.658 1.00 21.34 C ATOM 534 O PRO A 33 3.489 -0.007 -15.826 1.00 34.20 O ATOM 535 CB PRO A 33 5.082 -2.629 -16.763 1.00 20.23 C ATOM 536 CG PRO A 33 5.058 -3.084 -18.194 1.00 3.04 C ATOM 537 CD PRO A 33 3.780 -3.889 -18.350 1.00 53.44 C ATOM 0 HA PRO A 33 3.348 -2.521 -15.373 1.00 43.41 H new ATOM 0 HB2 PRO A 33 5.687 -1.730 -16.641 1.00 20.23 H new ATOM 0 HB3 PRO A 33 5.508 -3.391 -16.110 1.00 20.23 H new ATOM 0 HG2 PRO A 33 5.070 -2.233 -18.875 1.00 3.04 H new ATOM 0 HG3 PRO A 33 5.933 -3.691 -18.426 1.00 3.04 H new ATOM 0 HD2 PRO A 33 3.366 -3.793 -19.354 1.00 53.44 H new ATOM 0 HD3 PRO A 33 3.952 -4.951 -18.177 1.00 53.44 H new ATOM 545 N GLU A 34 2.542 -0.607 -17.793 1.00 31.32 N ATOM 546 CA GLU A 34 2.143 0.750 -18.218 1.00 35.40 C ATOM 547 C GLU A 34 0.681 1.073 -17.817 1.00 51.42 C ATOM 548 O GLU A 34 0.178 2.157 -18.142 1.00 14.33 O ATOM 549 CB GLU A 34 2.302 0.856 -19.763 1.00 1.44 C ATOM 550 CG GLU A 34 3.662 0.368 -20.308 1.00 11.10 C ATOM 551 CD GLU A 34 3.774 0.438 -21.842 1.00 65.02 C ATOM 552 OE1 GLU A 34 2.997 -0.253 -22.537 1.00 3.13 O ATOM 553 OE2 GLU A 34 4.627 1.189 -22.360 1.00 22.33 O ATOM 0 H GLU A 34 2.263 -1.334 -18.452 1.00 31.32 H new ATOM 0 HA GLU A 34 2.786 1.473 -17.716 1.00 35.40 H new ATOM 0 HB2 GLU A 34 1.508 0.278 -20.237 1.00 1.44 H new ATOM 0 HB3 GLU A 34 2.160 1.895 -20.059 1.00 1.44 H new ATOM 0 HG2 GLU A 34 4.457 0.969 -19.867 1.00 11.10 H new ATOM 0 HG3 GLU A 34 3.824 -0.661 -19.987 1.00 11.10 H new ATOM 560 N ASP A 35 0.001 0.134 -17.112 1.00 71.00 N ATOM 561 CA ASP A 35 -1.420 0.288 -16.753 1.00 71.30 C ATOM 562 C ASP A 35 -1.577 1.298 -15.585 1.00 42.25 C ATOM 563 O ASP A 35 -1.533 0.930 -14.403 1.00 21.51 O ATOM 564 CB ASP A 35 -2.066 -1.082 -16.403 1.00 51.44 C ATOM 565 CG ASP A 35 -3.584 -1.078 -16.654 1.00 74.01 C ATOM 566 OD1 ASP A 35 -4.332 -0.416 -15.898 1.00 71.43 O ATOM 567 OD2 ASP A 35 -4.029 -1.683 -17.653 1.00 41.15 O ATOM 0 H ASP A 35 0.420 -0.736 -16.784 1.00 71.00 H new ATOM 0 HA ASP A 35 -1.949 0.684 -17.620 1.00 71.30 H new ATOM 0 HB2 ASP A 35 -1.601 -1.866 -17.000 1.00 51.44 H new ATOM 0 HB3 ASP A 35 -1.871 -1.319 -15.357 1.00 51.44 H new ATOM 572 N MET A 36 -1.731 2.577 -15.955 1.00 11.11 N ATOM 573 CA MET A 36 -1.854 3.706 -15.011 1.00 22.05 C ATOM 574 C MET A 36 -3.153 3.646 -14.186 1.00 54.35 C ATOM 575 O MET A 36 -3.215 4.191 -13.085 1.00 15.34 O ATOM 576 CB MET A 36 -1.774 5.033 -15.796 1.00 12.54 C ATOM 577 CG MET A 36 -0.445 5.281 -16.536 1.00 74.20 C ATOM 578 SD MET A 36 0.955 5.539 -15.420 1.00 34.42 S ATOM 579 CE MET A 36 1.591 3.886 -15.121 1.00 65.42 C ATOM 0 H MET A 36 -1.775 2.865 -16.933 1.00 11.11 H new ATOM 0 HA MET A 36 -1.031 3.641 -14.300 1.00 22.05 H new ATOM 0 HB2 MET A 36 -2.586 5.055 -16.523 1.00 12.54 H new ATOM 0 HB3 MET A 36 -1.944 5.857 -15.103 1.00 12.54 H new ATOM 0 HG2 MET A 36 -0.233 4.430 -17.184 1.00 74.20 H new ATOM 0 HG3 MET A 36 -0.553 6.153 -17.181 1.00 74.20 H new ATOM 0 HE1 MET A 36 1.724 3.736 -14.050 1.00 65.42 H new ATOM 0 HE2 MET A 36 0.885 3.150 -15.506 1.00 65.42 H new ATOM 0 HE3 MET A 36 2.550 3.768 -15.626 1.00 65.42 H new ATOM 589 N GLU A 37 -4.176 2.990 -14.746 1.00 13.42 N ATOM 590 CA GLU A 37 -5.474 2.791 -14.081 1.00 41.42 C ATOM 591 C GLU A 37 -5.355 1.828 -12.873 1.00 44.31 C ATOM 592 O GLU A 37 -5.892 2.103 -11.799 1.00 52.21 O ATOM 593 CB GLU A 37 -6.511 2.272 -15.102 1.00 41.43 C ATOM 594 CG GLU A 37 -7.934 2.091 -14.538 1.00 54.03 C ATOM 595 CD GLU A 37 -8.974 1.819 -15.630 1.00 11.35 C ATOM 596 OE1 GLU A 37 -9.470 2.792 -16.245 1.00 73.42 O ATOM 597 OE2 GLU A 37 -9.293 0.641 -15.890 1.00 51.04 O ATOM 0 H GLU A 37 -4.129 2.579 -15.678 1.00 13.42 H new ATOM 0 HA GLU A 37 -5.810 3.752 -13.692 1.00 41.42 H new ATOM 0 HB2 GLU A 37 -6.553 2.966 -15.942 1.00 41.43 H new ATOM 0 HB3 GLU A 37 -6.166 1.316 -15.496 1.00 41.43 H new ATOM 0 HG2 GLU A 37 -7.936 1.265 -13.827 1.00 54.03 H new ATOM 0 HG3 GLU A 37 -8.218 2.987 -13.987 1.00 54.03 H new ATOM 604 N TYR A 38 -4.642 0.704 -13.066 1.00 32.42 N ATOM 605 CA TYR A 38 -4.359 -0.274 -11.981 1.00 53.31 C ATOM 606 C TYR A 38 -3.389 0.297 -10.932 1.00 34.34 C ATOM 607 O TYR A 38 -3.481 -0.044 -9.748 1.00 61.01 O ATOM 608 CB TYR A 38 -3.853 -1.628 -12.575 1.00 13.21 C ATOM 609 CG TYR A 38 -5.003 -2.615 -12.822 1.00 31.44 C ATOM 610 CD1 TYR A 38 -5.956 -2.369 -13.811 1.00 73.03 C ATOM 611 CD2 TYR A 38 -5.184 -3.743 -12.021 1.00 74.14 C ATOM 612 CE1 TYR A 38 -7.023 -3.221 -14.008 1.00 14.32 C ATOM 613 CE2 TYR A 38 -6.259 -4.593 -12.210 1.00 12.10 C ATOM 614 CZ TYR A 38 -7.177 -4.325 -13.200 1.00 2.42 C ATOM 615 OH TYR A 38 -8.251 -5.164 -13.385 1.00 21.22 O ATOM 0 H TYR A 38 -4.245 0.442 -13.968 1.00 32.42 H new ATOM 0 HA TYR A 38 -5.294 -0.472 -11.458 1.00 53.31 H new ATOM 0 HB2 TYR A 38 -3.330 -1.439 -13.512 1.00 13.21 H new ATOM 0 HB3 TYR A 38 -3.131 -2.076 -11.892 1.00 13.21 H new ATOM 0 HD1 TYR A 38 -5.856 -1.493 -14.435 1.00 73.03 H new ATOM 0 HD2 TYR A 38 -4.471 -3.957 -11.238 1.00 74.14 H new ATOM 0 HE1 TYR A 38 -7.736 -3.022 -14.794 1.00 14.32 H new ATOM 0 HE2 TYR A 38 -6.378 -5.464 -11.583 1.00 12.10 H new ATOM 0 HH TYR A 38 -8.211 -5.895 -12.733 1.00 21.22 H new ATOM 625 N TRP A 39 -2.480 1.179 -11.366 1.00 50.31 N ATOM 626 CA TRP A 39 -1.621 1.946 -10.443 1.00 45.53 C ATOM 627 C TRP A 39 -2.425 3.008 -9.655 1.00 43.40 C ATOM 628 O TRP A 39 -2.141 3.253 -8.484 1.00 31.45 O ATOM 629 CB TRP A 39 -0.426 2.587 -11.202 1.00 30.40 C ATOM 630 CG TRP A 39 0.724 1.630 -11.458 1.00 74.34 C ATOM 631 CD1 TRP A 39 1.302 1.331 -12.657 1.00 35.42 C ATOM 632 CD2 TRP A 39 1.424 0.845 -10.470 1.00 4.51 C ATOM 633 NE1 TRP A 39 2.329 0.446 -12.479 1.00 5.11 N ATOM 634 CE2 TRP A 39 2.413 0.119 -11.143 1.00 70.00 C ATOM 635 CE3 TRP A 39 1.314 0.693 -9.081 1.00 22.22 C ATOM 636 CZ2 TRP A 39 3.286 -0.748 -10.479 1.00 33.25 C ATOM 637 CZ3 TRP A 39 2.174 -0.168 -8.428 1.00 54.25 C ATOM 638 CH2 TRP A 39 3.150 -0.880 -9.128 1.00 53.44 C ATOM 0 H TRP A 39 -2.317 1.382 -12.352 1.00 50.31 H new ATOM 0 HA TRP A 39 -1.219 1.245 -9.711 1.00 45.53 H new ATOM 0 HB2 TRP A 39 -0.781 2.976 -12.156 1.00 30.40 H new ATOM 0 HB3 TRP A 39 -0.058 3.437 -10.628 1.00 30.40 H new ATOM 0 HD1 TRP A 39 0.993 1.735 -13.610 1.00 35.42 H new ATOM 0 HE1 TRP A 39 2.935 0.086 -13.216 1.00 5.11 H new ATOM 0 HE3 TRP A 39 0.566 1.242 -8.528 1.00 22.22 H new ATOM 0 HZ2 TRP A 39 4.044 -1.296 -11.019 1.00 33.25 H new ATOM 0 HZ3 TRP A 39 2.090 -0.293 -7.358 1.00 54.25 H new ATOM 0 HH2 TRP A 39 3.808 -1.547 -8.591 1.00 53.44 H new ATOM 649 N ASN A 40 -3.439 3.618 -10.296 1.00 34.12 N ATOM 650 CA ASN A 40 -4.329 4.597 -9.662 1.00 63.02 C ATOM 651 C ASN A 40 -5.213 3.915 -8.580 1.00 54.22 C ATOM 652 O ASN A 40 -5.503 4.511 -7.538 1.00 1.14 O ATOM 653 CB ASN A 40 -5.184 5.240 -10.772 1.00 33.11 C ATOM 654 CG ASN A 40 -6.142 6.318 -10.309 1.00 54.12 C ATOM 655 OD1 ASN A 40 -5.900 7.040 -9.343 1.00 35.23 O ATOM 656 ND2 ASN A 40 -7.240 6.437 -11.005 1.00 73.04 N ATOM 0 H ASN A 40 -3.662 3.441 -11.276 1.00 34.12 H new ATOM 0 HA ASN A 40 -3.751 5.368 -9.152 1.00 63.02 H new ATOM 0 HB2 ASN A 40 -4.517 5.667 -11.520 1.00 33.11 H new ATOM 0 HB3 ASN A 40 -5.757 4.456 -11.267 1.00 33.11 H new ATOM 0 HD21 ASN A 40 -7.929 7.146 -10.753 1.00 73.04 H new ATOM 0 HD22 ASN A 40 -7.409 5.821 -11.801 1.00 73.04 H new ATOM 663 N LYS A 41 -5.612 2.647 -8.845 1.00 71.21 N ATOM 664 CA LYS A 41 -6.315 1.791 -7.858 1.00 11.54 C ATOM 665 C LYS A 41 -5.441 1.574 -6.600 1.00 40.21 C ATOM 666 O LYS A 41 -5.857 1.883 -5.483 1.00 34.15 O ATOM 667 CB LYS A 41 -6.686 0.419 -8.486 1.00 21.42 C ATOM 668 CG LYS A 41 -7.729 0.482 -9.631 1.00 14.02 C ATOM 669 CD LYS A 41 -8.072 -0.921 -10.189 1.00 44.44 C ATOM 670 CE LYS A 41 -8.768 -1.834 -9.146 1.00 44.40 C ATOM 671 NZ LYS A 41 -8.660 -3.274 -9.507 1.00 14.40 N ATOM 0 H LYS A 41 -5.457 2.191 -9.744 1.00 71.21 H new ATOM 0 HA LYS A 41 -7.232 2.302 -7.564 1.00 11.54 H new ATOM 0 HB2 LYS A 41 -5.777 -0.046 -8.868 1.00 21.42 H new ATOM 0 HB3 LYS A 41 -7.071 -0.231 -7.700 1.00 21.42 H new ATOM 0 HG2 LYS A 41 -8.639 0.958 -9.265 1.00 14.02 H new ATOM 0 HG3 LYS A 41 -7.344 1.107 -10.437 1.00 14.02 H new ATOM 0 HD2 LYS A 41 -8.720 -0.812 -11.058 1.00 44.44 H new ATOM 0 HD3 LYS A 41 -7.157 -1.403 -10.533 1.00 44.44 H new ATOM 0 HE2 LYS A 41 -8.321 -1.671 -8.165 1.00 44.40 H new ATOM 0 HE3 LYS A 41 -9.819 -1.558 -9.066 1.00 44.40 H new ATOM 0 HZ1 LYS A 41 -9.195 -3.845 -8.822 1.00 14.40 H new ATOM 0 HZ2 LYS A 41 -9.049 -3.423 -10.460 1.00 14.40 H new ATOM 0 HZ3 LYS A 41 -7.661 -3.562 -9.492 1.00 14.40 H new ATOM 685 N ILE A 42 -4.207 1.077 -6.825 1.00 63.21 N ATOM 686 CA ILE A 42 -3.205 0.820 -5.757 1.00 34.13 C ATOM 687 C ILE A 42 -2.904 2.103 -4.930 1.00 4.03 C ATOM 688 O ILE A 42 -2.820 2.048 -3.707 1.00 34.22 O ATOM 689 CB ILE A 42 -1.884 0.230 -6.394 1.00 40.45 C ATOM 690 CG1 ILE A 42 -2.179 -1.183 -7.008 1.00 72.51 C ATOM 691 CG2 ILE A 42 -0.703 0.174 -5.385 1.00 44.34 C ATOM 692 CD1 ILE A 42 -1.053 -1.784 -7.836 1.00 31.12 C ATOM 0 H ILE A 42 -3.871 0.839 -7.758 1.00 63.21 H new ATOM 0 HA ILE A 42 -3.622 0.088 -5.065 1.00 34.13 H new ATOM 0 HB ILE A 42 -1.567 0.907 -7.187 1.00 40.45 H new ATOM 0 HG12 ILE A 42 -2.417 -1.870 -6.196 1.00 72.51 H new ATOM 0 HG13 ILE A 42 -3.068 -1.110 -7.634 1.00 72.51 H new ATOM 0 HG21 ILE A 42 0.177 -0.239 -5.878 1.00 44.34 H new ATOM 0 HG22 ILE A 42 -0.481 1.180 -5.029 1.00 44.34 H new ATOM 0 HG23 ILE A 42 -0.976 -0.458 -4.540 1.00 44.34 H new ATOM 0 HD11 ILE A 42 -1.360 -2.760 -8.213 1.00 31.12 H new ATOM 0 HD12 ILE A 42 -0.826 -1.125 -8.675 1.00 31.12 H new ATOM 0 HD13 ILE A 42 -0.165 -1.898 -7.214 1.00 31.12 H new ATOM 704 N TYR A 43 -2.792 3.245 -5.627 1.00 0.53 N ATOM 705 CA TYR A 43 -2.557 4.577 -5.009 1.00 12.21 C ATOM 706 C TYR A 43 -3.694 4.958 -4.015 1.00 12.53 C ATOM 707 O TYR A 43 -3.433 5.425 -2.899 1.00 1.33 O ATOM 708 CB TYR A 43 -2.431 5.632 -6.146 1.00 32.52 C ATOM 709 CG TYR A 43 -2.181 7.079 -5.691 1.00 25.14 C ATOM 710 CD1 TYR A 43 -0.913 7.496 -5.275 1.00 52.04 C ATOM 711 CD2 TYR A 43 -3.208 8.034 -5.684 1.00 4.21 C ATOM 712 CE1 TYR A 43 -0.683 8.798 -4.873 1.00 11.55 C ATOM 713 CE2 TYR A 43 -2.974 9.337 -5.285 1.00 35.53 C ATOM 714 CZ TYR A 43 -1.710 9.712 -4.880 1.00 60.23 C ATOM 715 OH TYR A 43 -1.471 11.012 -4.488 1.00 1.03 O ATOM 0 H TYR A 43 -2.861 3.279 -6.644 1.00 0.53 H new ATOM 0 HA TYR A 43 -1.635 4.546 -4.429 1.00 12.21 H new ATOM 0 HB2 TYR A 43 -1.616 5.332 -6.805 1.00 32.52 H new ATOM 0 HB3 TYR A 43 -3.345 5.610 -6.739 1.00 32.52 H new ATOM 0 HD1 TYR A 43 -0.098 6.787 -5.268 1.00 52.04 H new ATOM 0 HD2 TYR A 43 -4.201 7.746 -5.996 1.00 4.21 H new ATOM 0 HE1 TYR A 43 0.304 9.098 -4.553 1.00 11.55 H new ATOM 0 HE2 TYR A 43 -3.778 10.058 -5.290 1.00 35.53 H new ATOM 0 HH TYR A 43 -2.300 11.531 -4.552 1.00 1.03 H new ATOM 725 N ARG A 44 -4.951 4.729 -4.444 1.00 1.32 N ATOM 726 CA ARG A 44 -6.163 5.010 -3.630 1.00 24.42 C ATOM 727 C ARG A 44 -6.315 4.027 -2.437 1.00 53.30 C ATOM 728 O ARG A 44 -6.850 4.398 -1.387 1.00 61.31 O ATOM 729 CB ARG A 44 -7.422 4.977 -4.540 1.00 44.21 C ATOM 730 CG ARG A 44 -7.501 6.150 -5.552 1.00 3.44 C ATOM 731 CD ARG A 44 -8.675 6.010 -6.541 1.00 23.31 C ATOM 732 NE ARG A 44 -8.824 7.202 -7.404 1.00 33.30 N ATOM 733 CZ ARG A 44 -9.394 7.227 -8.589 1.00 44.44 C ATOM 734 NH1 ARG A 44 -9.808 6.137 -9.160 1.00 60.33 N ATOM 735 NH2 ARG A 44 -9.511 8.350 -9.213 1.00 63.14 N ATOM 0 H ARG A 44 -5.161 4.344 -5.365 1.00 1.32 H new ATOM 0 HA ARG A 44 -6.053 6.005 -3.199 1.00 24.42 H new ATOM 0 HB2 ARG A 44 -7.436 4.036 -5.089 1.00 44.21 H new ATOM 0 HB3 ARG A 44 -8.312 4.993 -3.911 1.00 44.21 H new ATOM 0 HG2 ARG A 44 -7.602 7.088 -5.006 1.00 3.44 H new ATOM 0 HG3 ARG A 44 -6.567 6.205 -6.110 1.00 3.44 H new ATOM 0 HD2 ARG A 44 -8.520 5.129 -7.164 1.00 23.31 H new ATOM 0 HD3 ARG A 44 -9.599 5.848 -5.985 1.00 23.31 H new ATOM 0 HE ARG A 44 -8.452 8.083 -7.049 1.00 33.30 H new ATOM 0 HH11 ARG A 44 -9.694 5.239 -8.689 1.00 60.33 H new ATOM 0 HH12 ARG A 44 -10.248 6.178 -10.080 1.00 60.33 H new ATOM 0 HH21 ARG A 44 -9.163 9.209 -8.787 1.00 63.14 H new ATOM 0 HH22 ARG A 44 -9.952 8.379 -10.132 1.00 63.14 H new ATOM 749 N LEU A 45 -5.841 2.779 -2.600 1.00 34.31 N ATOM 750 CA LEU A 45 -5.856 1.767 -1.512 1.00 54.13 C ATOM 751 C LEU A 45 -4.794 2.104 -0.427 1.00 43.24 C ATOM 752 O LEU A 45 -5.070 2.021 0.776 1.00 51.23 O ATOM 753 CB LEU A 45 -5.627 0.345 -2.098 1.00 32.35 C ATOM 754 CG LEU A 45 -6.676 -0.135 -3.160 1.00 3.05 C ATOM 755 CD1 LEU A 45 -6.297 -1.510 -3.756 1.00 22.24 C ATOM 756 CD2 LEU A 45 -8.112 -0.144 -2.582 1.00 53.00 C ATOM 0 H LEU A 45 -5.440 2.440 -3.475 1.00 34.31 H new ATOM 0 HA LEU A 45 -6.835 1.787 -1.033 1.00 54.13 H new ATOM 0 HB2 LEU A 45 -4.638 0.316 -2.554 1.00 32.35 H new ATOM 0 HB3 LEU A 45 -5.619 -0.369 -1.275 1.00 32.35 H new ATOM 0 HG LEU A 45 -6.659 0.588 -3.976 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -7.048 -1.809 -4.488 1.00 22.24 H new ATOM 0 HD12 LEU A 45 -5.324 -1.440 -4.242 1.00 22.24 H new ATOM 0 HD13 LEU A 45 -6.252 -2.252 -2.959 1.00 22.24 H new ATOM 0 HD21 LEU A 45 -8.810 -0.482 -3.348 1.00 53.00 H new ATOM 0 HD22 LEU A 45 -8.156 -0.819 -1.727 1.00 53.00 H new ATOM 0 HD23 LEU A 45 -8.382 0.863 -2.264 1.00 53.00 H new ATOM 768 N VAL A 46 -3.589 2.516 -0.879 1.00 43.20 N ATOM 769 CA VAL A 46 -2.472 2.949 0.006 1.00 5.21 C ATOM 770 C VAL A 46 -2.806 4.284 0.738 1.00 11.43 C ATOM 771 O VAL A 46 -2.336 4.527 1.855 1.00 10.20 O ATOM 772 CB VAL A 46 -1.122 3.070 -0.812 1.00 70.24 C ATOM 773 CG1 VAL A 46 0.026 3.669 0.038 1.00 25.31 C ATOM 774 CG2 VAL A 46 -0.707 1.687 -1.386 1.00 40.51 C ATOM 0 H VAL A 46 -3.358 2.560 -1.871 1.00 43.20 H new ATOM 0 HA VAL A 46 -2.339 2.183 0.770 1.00 5.21 H new ATOM 0 HB VAL A 46 -1.306 3.758 -1.637 1.00 70.24 H new ATOM 0 HG11 VAL A 46 0.931 3.732 -0.566 1.00 25.31 H new ATOM 0 HG12 VAL A 46 -0.254 4.666 0.377 1.00 25.31 H new ATOM 0 HG13 VAL A 46 0.210 3.031 0.902 1.00 25.31 H new ATOM 0 HG21 VAL A 46 0.223 1.789 -1.945 1.00 40.51 H new ATOM 0 HG22 VAL A 46 -0.562 0.982 -0.567 1.00 40.51 H new ATOM 0 HG23 VAL A 46 -1.490 1.318 -2.049 1.00 40.51 H new ATOM 784 N HIS A 47 -3.645 5.124 0.096 1.00 14.32 N ATOM 785 CA HIS A 47 -4.221 6.352 0.712 1.00 44.33 C ATOM 786 C HIS A 47 -4.963 6.020 2.037 1.00 41.31 C ATOM 787 O HIS A 47 -4.820 6.731 3.040 1.00 41.13 O ATOM 788 CB HIS A 47 -5.178 7.038 -0.306 1.00 32.34 C ATOM 789 CG HIS A 47 -6.046 8.146 0.250 1.00 33.00 C ATOM 790 ND1 HIS A 47 -7.387 7.976 0.528 1.00 52.23 N ATOM 791 CD2 HIS A 47 -5.769 9.438 0.561 1.00 24.21 C ATOM 792 CE1 HIS A 47 -7.893 9.103 0.975 1.00 4.41 C ATOM 793 NE2 HIS A 47 -6.939 10.007 1.006 1.00 51.24 N ATOM 0 H HIS A 47 -3.947 4.975 -0.867 1.00 14.32 H new ATOM 0 HA HIS A 47 -3.411 7.038 0.959 1.00 44.33 H new ATOM 0 HB2 HIS A 47 -4.580 7.445 -1.121 1.00 32.34 H new ATOM 0 HB3 HIS A 47 -5.827 6.275 -0.737 1.00 32.34 H new ATOM 0 HD2 HIS A 47 -4.810 9.927 0.475 1.00 24.21 H new ATOM 0 HE1 HIS A 47 -8.921 9.260 1.268 1.00 4.41 H new ATOM 0 HE2 HIS A 47 -7.049 10.974 1.311 1.00 51.24 H new ATOM 802 N THR A 48 -5.739 4.919 2.018 1.00 74.22 N ATOM 803 CA THR A 48 -6.477 4.425 3.204 1.00 53.33 C ATOM 804 C THR A 48 -5.514 3.781 4.239 1.00 74.33 C ATOM 805 O THR A 48 -5.641 4.029 5.435 1.00 2.20 O ATOM 806 CB THR A 48 -7.582 3.398 2.795 1.00 5.41 C ATOM 807 OG1 THR A 48 -8.465 3.998 1.833 1.00 40.42 O ATOM 808 CG2 THR A 48 -8.404 2.899 4.007 1.00 71.01 C ATOM 0 H THR A 48 -5.874 4.347 1.185 1.00 74.22 H new ATOM 0 HA THR A 48 -6.957 5.287 3.666 1.00 53.33 H new ATOM 0 HB THR A 48 -7.078 2.534 2.363 1.00 5.41 H new ATOM 0 HG1 THR A 48 -9.156 3.352 1.576 1.00 40.42 H new ATOM 0 HG21 THR A 48 -9.157 2.188 3.668 1.00 71.01 H new ATOM 0 HG22 THR A 48 -7.740 2.411 4.721 1.00 71.01 H new ATOM 0 HG23 THR A 48 -8.894 3.746 4.488 1.00 71.01 H new ATOM 816 N MET A 49 -4.542 2.968 3.751 1.00 21.30 N ATOM 817 CA MET A 49 -3.513 2.302 4.611 1.00 23.33 C ATOM 818 C MET A 49 -2.714 3.322 5.449 1.00 12.04 C ATOM 819 O MET A 49 -2.434 3.093 6.634 1.00 41.51 O ATOM 820 CB MET A 49 -2.513 1.494 3.753 1.00 34.45 C ATOM 821 CG MET A 49 -3.121 0.365 2.946 1.00 74.51 C ATOM 822 SD MET A 49 -1.884 -0.495 1.963 1.00 1.35 S ATOM 823 CE MET A 49 -2.902 -1.723 1.168 1.00 13.23 C ATOM 0 H MET A 49 -4.444 2.753 2.759 1.00 21.30 H new ATOM 0 HA MET A 49 -4.058 1.636 5.280 1.00 23.33 H new ATOM 0 HB2 MET A 49 -2.010 2.178 3.069 1.00 34.45 H new ATOM 0 HB3 MET A 49 -1.748 1.079 4.409 1.00 34.45 H new ATOM 0 HG2 MET A 49 -3.607 -0.342 3.619 1.00 74.51 H new ATOM 0 HG3 MET A 49 -3.895 0.763 2.289 1.00 74.51 H new ATOM 0 HE1 MET A 49 -2.274 -2.388 0.575 1.00 13.23 H new ATOM 0 HE2 MET A 49 -3.430 -2.303 1.925 1.00 13.23 H new ATOM 0 HE3 MET A 49 -3.625 -1.231 0.518 1.00 13.23 H new ATOM 833 N LYS A 50 -2.353 4.437 4.798 1.00 73.15 N ATOM 834 CA LYS A 50 -1.617 5.536 5.432 1.00 71.51 C ATOM 835 C LYS A 50 -2.451 6.148 6.569 1.00 11.24 C ATOM 836 O LYS A 50 -1.958 6.309 7.677 1.00 24.43 O ATOM 837 CB LYS A 50 -1.246 6.616 4.387 1.00 40.23 C ATOM 838 CG LYS A 50 -0.293 7.710 4.923 1.00 21.43 C ATOM 839 CD LYS A 50 0.122 8.734 3.841 1.00 23.32 C ATOM 840 CE LYS A 50 -1.048 9.619 3.375 1.00 24.12 C ATOM 841 NZ LYS A 50 -1.580 10.454 4.476 1.00 32.32 N ATOM 0 H LYS A 50 -2.565 4.601 3.814 1.00 73.15 H new ATOM 0 HA LYS A 50 -0.694 5.138 5.854 1.00 71.51 H new ATOM 0 HB2 LYS A 50 -0.780 6.132 3.529 1.00 40.23 H new ATOM 0 HB3 LYS A 50 -2.160 7.089 4.028 1.00 40.23 H new ATOM 0 HG2 LYS A 50 -0.778 8.236 5.745 1.00 21.43 H new ATOM 0 HG3 LYS A 50 0.601 7.238 5.330 1.00 21.43 H new ATOM 0 HD2 LYS A 50 0.917 9.368 4.234 1.00 23.32 H new ATOM 0 HD3 LYS A 50 0.533 8.202 2.983 1.00 23.32 H new ATOM 0 HE2 LYS A 50 -0.715 10.262 2.560 1.00 24.12 H new ATOM 0 HE3 LYS A 50 -1.845 8.989 2.979 1.00 24.12 H new ATOM 0 HZ1 LYS A 50 -2.259 11.142 4.093 1.00 32.32 H new ATOM 0 HZ2 LYS A 50 -2.057 9.847 5.173 1.00 32.32 H new ATOM 0 HZ3 LYS A 50 -0.797 10.960 4.937 1.00 32.32 H new ATOM 855 N GLU A 51 -3.731 6.434 6.274 1.00 54.44 N ATOM 856 CA GLU A 51 -4.695 6.965 7.256 1.00 55.53 C ATOM 857 C GLU A 51 -4.808 6.063 8.519 1.00 50.32 C ATOM 858 O GLU A 51 -4.866 6.568 9.650 1.00 72.31 O ATOM 859 CB GLU A 51 -6.083 7.111 6.580 1.00 4.30 C ATOM 860 CG GLU A 51 -7.199 7.585 7.526 1.00 33.32 C ATOM 861 CD GLU A 51 -8.587 7.662 6.863 1.00 53.11 C ATOM 862 OE1 GLU A 51 -9.304 6.639 6.829 1.00 50.30 O ATOM 863 OE2 GLU A 51 -8.972 8.751 6.387 1.00 23.23 O ATOM 0 H GLU A 51 -4.129 6.303 5.344 1.00 54.44 H new ATOM 0 HA GLU A 51 -4.334 7.938 7.590 1.00 55.53 H new ATOM 0 HB2 GLU A 51 -5.999 7.816 5.753 1.00 4.30 H new ATOM 0 HB3 GLU A 51 -6.369 6.150 6.152 1.00 4.30 H new ATOM 0 HG2 GLU A 51 -7.251 6.908 8.379 1.00 33.32 H new ATOM 0 HG3 GLU A 51 -6.938 8.569 7.916 1.00 33.32 H new ATOM 870 N ILE A 52 -4.841 4.728 8.294 1.00 21.24 N ATOM 871 CA ILE A 52 -4.906 3.713 9.376 1.00 23.34 C ATOM 872 C ILE A 52 -3.712 3.858 10.358 1.00 0.13 C ATOM 873 O ILE A 52 -3.915 4.055 11.555 1.00 12.11 O ATOM 874 CB ILE A 52 -4.945 2.244 8.779 1.00 51.23 C ATOM 875 CG1 ILE A 52 -6.231 2.034 7.908 1.00 53.24 C ATOM 876 CG2 ILE A 52 -4.837 1.159 9.890 1.00 45.41 C ATOM 877 CD1 ILE A 52 -6.300 0.700 7.164 1.00 2.55 C ATOM 0 H ILE A 52 -4.823 4.323 7.358 1.00 21.24 H new ATOM 0 HA ILE A 52 -5.829 3.888 9.929 1.00 23.34 H new ATOM 0 HB ILE A 52 -4.072 2.130 8.137 1.00 51.23 H new ATOM 0 HG12 ILE A 52 -7.106 2.118 8.553 1.00 53.24 H new ATOM 0 HG13 ILE A 52 -6.293 2.842 7.179 1.00 53.24 H new ATOM 0 HG21 ILE A 52 -4.868 0.169 9.436 1.00 45.41 H new ATOM 0 HG22 ILE A 52 -3.897 1.282 10.429 1.00 45.41 H new ATOM 0 HG23 ILE A 52 -5.670 1.266 10.585 1.00 45.41 H new ATOM 0 HD11 ILE A 52 -7.226 0.651 6.591 1.00 2.55 H new ATOM 0 HD12 ILE A 52 -5.449 0.616 6.488 1.00 2.55 H new ATOM 0 HD13 ILE A 52 -6.274 -0.119 7.883 1.00 2.55 H new ATOM 889 N THR A 53 -2.473 3.802 9.839 1.00 52.04 N ATOM 890 CA THR A 53 -1.254 3.925 10.684 1.00 32.41 C ATOM 891 C THR A 53 -1.088 5.351 11.289 1.00 64.24 C ATOM 892 O THR A 53 -0.518 5.495 12.376 1.00 62.41 O ATOM 893 CB THR A 53 0.050 3.486 9.935 1.00 31.31 C ATOM 894 OG1 THR A 53 1.199 3.776 10.727 1.00 54.42 O ATOM 895 CG2 THR A 53 0.215 4.147 8.570 1.00 42.23 C ATOM 0 H THR A 53 -2.281 3.673 8.846 1.00 52.04 H new ATOM 0 HA THR A 53 -1.405 3.231 11.511 1.00 32.41 H new ATOM 0 HB THR A 53 -0.046 2.412 9.772 1.00 31.31 H new ATOM 0 HG1 THR A 53 1.454 4.714 10.602 1.00 54.42 H new ATOM 0 HG21 THR A 53 1.138 3.799 8.106 1.00 42.23 H new ATOM 0 HG22 THR A 53 -0.631 3.886 7.935 1.00 42.23 H new ATOM 0 HG23 THR A 53 0.256 5.229 8.692 1.00 42.23 H new ATOM 903 N GLU A 54 -1.603 6.392 10.598 1.00 23.23 N ATOM 904 CA GLU A 54 -1.562 7.795 11.102 1.00 52.32 C ATOM 905 C GLU A 54 -2.447 7.985 12.359 1.00 52.10 C ATOM 906 O GLU A 54 -2.022 8.641 13.315 1.00 53.43 O ATOM 907 CB GLU A 54 -1.984 8.801 9.996 1.00 40.11 C ATOM 908 CG GLU A 54 -0.961 8.965 8.857 1.00 41.53 C ATOM 909 CD GLU A 54 -1.454 9.886 7.727 1.00 22.21 C ATOM 910 OE1 GLU A 54 -2.525 9.604 7.147 1.00 34.54 O ATOM 911 OE2 GLU A 54 -0.787 10.893 7.411 1.00 10.41 O ATOM 0 H GLU A 54 -2.054 6.293 9.688 1.00 23.23 H new ATOM 0 HA GLU A 54 -0.529 7.997 11.385 1.00 52.32 H new ATOM 0 HB2 GLU A 54 -2.933 8.476 9.570 1.00 40.11 H new ATOM 0 HB3 GLU A 54 -2.157 9.774 10.455 1.00 40.11 H new ATOM 0 HG2 GLU A 54 -0.034 9.366 9.265 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -0.729 7.984 8.442 1.00 41.53 H new ATOM 918 N THR A 55 -3.674 7.404 12.359 1.00 30.34 N ATOM 919 CA THR A 55 -4.590 7.479 13.539 1.00 32.35 C ATOM 920 C THR A 55 -4.080 6.580 14.699 1.00 74.55 C ATOM 921 O THR A 55 -4.429 6.792 15.867 1.00 70.34 O ATOM 922 CB THR A 55 -6.087 7.122 13.183 1.00 33.34 C ATOM 923 OG1 THR A 55 -6.945 7.426 14.304 1.00 73.03 O ATOM 924 CG2 THR A 55 -6.283 5.645 12.785 1.00 12.23 C ATOM 0 H THR A 55 -4.053 6.883 11.568 1.00 30.34 H new ATOM 0 HA THR A 55 -4.581 8.519 13.865 1.00 32.35 H new ATOM 0 HB THR A 55 -6.351 7.729 12.317 1.00 33.34 H new ATOM 0 HG1 THR A 55 -7.872 7.204 14.076 1.00 73.03 H new ATOM 0 HG21 THR A 55 -7.333 5.467 12.553 1.00 12.23 H new ATOM 0 HG22 THR A 55 -5.675 5.420 11.909 1.00 12.23 H new ATOM 0 HG23 THR A 55 -5.980 5.002 13.611 1.00 12.23 H new ATOM 932 N MET A 56 -3.243 5.573 14.356 1.00 32.12 N ATOM 933 CA MET A 56 -2.519 4.738 15.353 1.00 2.02 C ATOM 934 C MET A 56 -1.311 5.495 15.973 1.00 30.35 C ATOM 935 O MET A 56 -0.809 5.109 17.037 1.00 12.52 O ATOM 936 CB MET A 56 -2.014 3.430 14.700 1.00 0.20 C ATOM 937 CG MET A 56 -3.100 2.518 14.139 1.00 21.33 C ATOM 938 SD MET A 56 -4.278 1.978 15.385 1.00 42.43 S ATOM 939 CE MET A 56 -5.246 0.824 14.419 1.00 74.11 C ATOM 0 H MET A 56 -3.049 5.315 13.388 1.00 32.12 H new ATOM 0 HA MET A 56 -3.227 4.506 16.148 1.00 2.02 H new ATOM 0 HB2 MET A 56 -1.327 3.688 13.894 1.00 0.20 H new ATOM 0 HB3 MET A 56 -1.441 2.872 15.440 1.00 0.20 H new ATOM 0 HG2 MET A 56 -3.633 3.043 13.346 1.00 21.33 H new ATOM 0 HG3 MET A 56 -2.634 1.644 13.685 1.00 21.33 H new ATOM 0 HE1 MET A 56 -6.296 0.903 14.703 1.00 74.11 H new ATOM 0 HE2 MET A 56 -5.138 1.056 13.359 1.00 74.11 H new ATOM 0 HE3 MET A 56 -4.895 -0.191 14.606 1.00 74.11 H new ATOM 949 N GLY A 57 -0.850 6.560 15.285 1.00 1.22 N ATOM 950 CA GLY A 57 0.284 7.379 15.747 1.00 73.11 C ATOM 951 C GLY A 57 1.654 6.864 15.292 1.00 54.43 C ATOM 952 O GLY A 57 2.686 7.303 15.808 1.00 2.44 O ATOM 0 H GLY A 57 -1.251 6.873 14.401 1.00 1.22 H new ATOM 0 HA2 GLY A 57 0.153 8.399 15.386 1.00 73.11 H new ATOM 0 HA3 GLY A 57 0.267 7.422 16.836 1.00 73.11 H new ATOM 956 N PHE A 58 1.675 5.932 14.327 1.00 60.51 N ATOM 957 CA PHE A 58 2.926 5.385 13.761 1.00 24.42 C ATOM 958 C PHE A 58 3.388 6.238 12.557 1.00 35.45 C ATOM 959 O PHE A 58 2.967 6.011 11.420 1.00 14.55 O ATOM 960 CB PHE A 58 2.723 3.903 13.361 1.00 72.10 C ATOM 961 CG PHE A 58 2.573 2.951 14.542 1.00 62.54 C ATOM 962 CD1 PHE A 58 3.688 2.475 15.235 1.00 61.04 C ATOM 963 CD2 PHE A 58 1.316 2.549 14.974 1.00 52.23 C ATOM 964 CE1 PHE A 58 3.540 1.625 16.319 1.00 71.15 C ATOM 965 CE2 PHE A 58 1.162 1.705 16.055 1.00 55.42 C ATOM 966 CZ PHE A 58 2.276 1.240 16.730 1.00 41.02 C ATOM 0 H PHE A 58 0.830 5.535 13.916 1.00 60.51 H new ATOM 0 HA PHE A 58 3.710 5.426 14.517 1.00 24.42 H new ATOM 0 HB2 PHE A 58 1.836 3.826 12.732 1.00 72.10 H new ATOM 0 HB3 PHE A 58 3.571 3.582 12.756 1.00 72.10 H new ATOM 0 HD1 PHE A 58 4.678 2.773 14.922 1.00 61.04 H new ATOM 0 HD2 PHE A 58 0.440 2.905 14.453 1.00 52.23 H new ATOM 0 HE1 PHE A 58 4.412 1.263 16.844 1.00 71.15 H new ATOM 0 HE2 PHE A 58 0.174 1.408 16.373 1.00 55.42 H new ATOM 0 HZ PHE A 58 2.160 0.578 17.576 1.00 41.02 H new ATOM 976 N SER A 59 4.232 7.246 12.841 1.00 73.52 N ATOM 977 CA SER A 59 4.816 8.145 11.813 1.00 13.30 C ATOM 978 C SER A 59 5.830 7.395 10.921 1.00 31.34 C ATOM 979 O SER A 59 5.934 7.655 9.719 1.00 0.23 O ATOM 980 CB SER A 59 5.515 9.343 12.493 1.00 61.51 C ATOM 981 OG SER A 59 4.620 10.053 13.334 1.00 3.04 O ATOM 0 H SER A 59 4.533 7.466 13.790 1.00 73.52 H new ATOM 0 HA SER A 59 4.002 8.503 11.182 1.00 13.30 H new ATOM 0 HB2 SER A 59 6.363 8.987 13.079 1.00 61.51 H new ATOM 0 HB3 SER A 59 5.912 10.015 11.732 1.00 61.51 H new ATOM 0 HG SER A 59 5.090 10.804 13.752 1.00 3.04 H new ATOM 987 N SER A 60 6.566 6.462 11.553 1.00 13.13 N ATOM 988 CA SER A 60 7.565 5.594 10.888 1.00 73.04 C ATOM 989 C SER A 60 6.915 4.690 9.818 1.00 31.41 C ATOM 990 O SER A 60 7.421 4.564 8.698 1.00 52.21 O ATOM 991 CB SER A 60 8.273 4.722 11.949 1.00 25.40 C ATOM 992 OG SER A 60 7.334 3.957 12.698 1.00 54.24 O ATOM 0 H SER A 60 6.485 6.285 12.554 1.00 13.13 H new ATOM 0 HA SER A 60 8.289 6.235 10.385 1.00 73.04 H new ATOM 0 HB2 SER A 60 8.982 4.054 11.460 1.00 25.40 H new ATOM 0 HB3 SER A 60 8.847 5.359 12.622 1.00 25.40 H new ATOM 0 HG SER A 60 7.809 3.413 13.361 1.00 54.24 H new ATOM 998 N VAL A 61 5.788 4.064 10.187 1.00 25.41 N ATOM 999 CA VAL A 61 5.018 3.182 9.283 1.00 22.43 C ATOM 1000 C VAL A 61 4.292 4.014 8.202 1.00 75.41 C ATOM 1001 O VAL A 61 4.295 3.652 7.024 1.00 52.43 O ATOM 1002 CB VAL A 61 3.990 2.310 10.081 1.00 34.44 C ATOM 1003 CG1 VAL A 61 3.281 1.271 9.164 1.00 20.44 C ATOM 1004 CG2 VAL A 61 4.671 1.638 11.300 1.00 41.03 C ATOM 0 H VAL A 61 5.381 4.151 11.118 1.00 25.41 H new ATOM 0 HA VAL A 61 5.722 2.510 8.793 1.00 22.43 H new ATOM 0 HB VAL A 61 3.212 2.972 10.460 1.00 34.44 H new ATOM 0 HG11 VAL A 61 2.576 0.686 9.754 1.00 20.44 H new ATOM 0 HG12 VAL A 61 2.745 1.792 8.371 1.00 20.44 H new ATOM 0 HG13 VAL A 61 4.025 0.607 8.724 1.00 20.44 H new ATOM 0 HG21 VAL A 61 3.939 1.037 11.840 1.00 41.03 H new ATOM 0 HG22 VAL A 61 5.483 0.998 10.956 1.00 41.03 H new ATOM 0 HG23 VAL A 61 5.070 2.406 11.963 1.00 41.03 H new ATOM 1014 N ALA A 62 3.706 5.162 8.624 1.00 52.12 N ATOM 1015 CA ALA A 62 3.058 6.133 7.700 1.00 13.02 C ATOM 1016 C ALA A 62 4.031 6.615 6.614 1.00 43.21 C ATOM 1017 O ALA A 62 3.611 6.905 5.503 1.00 70.40 O ATOM 1018 CB ALA A 62 2.478 7.340 8.458 1.00 54.12 C ATOM 0 H ALA A 62 3.668 5.441 9.604 1.00 52.12 H new ATOM 0 HA ALA A 62 2.236 5.603 7.218 1.00 13.02 H new ATOM 0 HB1 ALA A 62 2.014 8.026 7.749 1.00 54.12 H new ATOM 0 HB2 ALA A 62 1.731 6.996 9.173 1.00 54.12 H new ATOM 0 HB3 ALA A 62 3.278 7.855 8.990 1.00 54.12 H new ATOM 1024 N LYS A 63 5.332 6.710 6.971 1.00 1.24 N ATOM 1025 CA LYS A 63 6.413 7.049 6.022 1.00 15.33 C ATOM 1026 C LYS A 63 6.546 5.982 4.909 1.00 63.15 C ATOM 1027 O LYS A 63 6.617 6.333 3.733 1.00 73.04 O ATOM 1028 CB LYS A 63 7.761 7.216 6.772 1.00 45.12 C ATOM 1029 CG LYS A 63 8.974 7.515 5.855 1.00 11.42 C ATOM 1030 CD LYS A 63 10.299 7.641 6.639 1.00 12.45 C ATOM 1031 CE LYS A 63 11.521 7.797 5.719 1.00 62.02 C ATOM 1032 NZ LYS A 63 12.785 7.904 6.491 1.00 11.11 N ATOM 0 H LYS A 63 5.660 6.554 7.924 1.00 1.24 H new ATOM 0 HA LYS A 63 6.153 7.995 5.548 1.00 15.33 H new ATOM 0 HB2 LYS A 63 7.661 8.024 7.497 1.00 45.12 H new ATOM 0 HB3 LYS A 63 7.964 6.306 7.336 1.00 45.12 H new ATOM 0 HG2 LYS A 63 9.069 6.720 5.115 1.00 11.42 H new ATOM 0 HG3 LYS A 63 8.791 8.440 5.308 1.00 11.42 H new ATOM 0 HD2 LYS A 63 10.241 8.500 7.307 1.00 12.45 H new ATOM 0 HD3 LYS A 63 10.431 6.759 7.265 1.00 12.45 H new ATOM 0 HE2 LYS A 63 11.579 6.943 5.044 1.00 62.02 H new ATOM 0 HE3 LYS A 63 11.398 8.685 5.099 1.00 62.02 H new ATOM 0 HZ1 LYS A 63 13.585 8.008 5.835 1.00 11.11 H new ATOM 0 HZ2 LYS A 63 12.741 8.734 7.117 1.00 11.11 H new ATOM 0 HZ3 LYS A 63 12.916 7.046 7.063 1.00 11.11 H new ATOM 1046 N VAL A 64 6.548 4.684 5.295 1.00 25.12 N ATOM 1047 CA VAL A 64 6.651 3.550 4.332 1.00 31.23 C ATOM 1048 C VAL A 64 5.499 3.594 3.295 1.00 13.13 C ATOM 1049 O VAL A 64 5.720 3.435 2.099 1.00 11.44 O ATOM 1050 CB VAL A 64 6.643 2.153 5.066 1.00 51.13 C ATOM 1051 CG1 VAL A 64 6.758 0.971 4.058 1.00 62.04 C ATOM 1052 CG2 VAL A 64 7.761 2.083 6.138 1.00 60.22 C ATOM 0 H VAL A 64 6.479 4.390 6.269 1.00 25.12 H new ATOM 0 HA VAL A 64 7.605 3.663 3.816 1.00 31.23 H new ATOM 0 HB VAL A 64 5.682 2.055 5.571 1.00 51.13 H new ATOM 0 HG11 VAL A 64 6.749 0.027 4.602 1.00 62.04 H new ATOM 0 HG12 VAL A 64 5.916 0.999 3.366 1.00 62.04 H new ATOM 0 HG13 VAL A 64 7.690 1.059 3.499 1.00 62.04 H new ATOM 0 HG21 VAL A 64 7.734 1.110 6.629 1.00 60.22 H new ATOM 0 HG22 VAL A 64 8.731 2.222 5.661 1.00 60.22 H new ATOM 0 HG23 VAL A 64 7.605 2.868 6.878 1.00 60.22 H new ATOM 1062 N LEU A 65 4.277 3.845 3.783 1.00 53.42 N ATOM 1063 CA LEU A 65 3.077 3.981 2.924 1.00 0.14 C ATOM 1064 C LEU A 65 3.126 5.291 2.103 1.00 3.23 C ATOM 1065 O LEU A 65 2.716 5.319 0.941 1.00 51.42 O ATOM 1066 CB LEU A 65 1.777 3.905 3.785 1.00 40.34 C ATOM 1067 CG LEU A 65 1.371 2.486 4.311 1.00 14.55 C ATOM 1068 CD1 LEU A 65 1.079 1.527 3.138 1.00 33.51 C ATOM 1069 CD2 LEU A 65 2.434 1.898 5.256 1.00 12.22 C ATOM 0 H LEU A 65 4.085 3.960 4.778 1.00 53.42 H new ATOM 0 HA LEU A 65 3.067 3.150 2.218 1.00 0.14 H new ATOM 0 HB2 LEU A 65 1.897 4.566 4.643 1.00 40.34 H new ATOM 0 HB3 LEU A 65 0.951 4.299 3.192 1.00 40.34 H new ATOM 0 HG LEU A 65 0.456 2.604 4.891 1.00 14.55 H new ATOM 0 HD11 LEU A 65 0.799 0.549 3.529 1.00 33.51 H new ATOM 0 HD12 LEU A 65 0.261 1.925 2.538 1.00 33.51 H new ATOM 0 HD13 LEU A 65 1.970 1.429 2.518 1.00 33.51 H new ATOM 0 HD21 LEU A 65 2.113 0.914 5.597 1.00 12.22 H new ATOM 0 HD22 LEU A 65 3.382 1.807 4.726 1.00 12.22 H new ATOM 0 HD23 LEU A 65 2.561 2.556 6.115 1.00 12.22 H new ATOM 1081 N HIS A 66 3.680 6.352 2.710 1.00 34.41 N ATOM 1082 CA HIS A 66 3.806 7.683 2.079 1.00 43.42 C ATOM 1083 C HIS A 66 4.808 7.646 0.896 1.00 41.42 C ATOM 1084 O HIS A 66 4.655 8.405 -0.073 1.00 70.13 O ATOM 1085 CB HIS A 66 4.234 8.732 3.133 1.00 32.02 C ATOM 1086 CG HIS A 66 4.085 10.159 2.695 1.00 30.13 C ATOM 1087 ND1 HIS A 66 5.135 10.923 2.246 1.00 1.43 N ATOM 1088 CD2 HIS A 66 2.993 10.959 2.646 1.00 52.21 C ATOM 1089 CE1 HIS A 66 4.704 12.126 1.938 1.00 3.32 C ATOM 1090 NE2 HIS A 66 3.409 12.179 2.168 1.00 32.34 N ATOM 0 H HIS A 66 4.056 6.315 3.657 1.00 34.41 H new ATOM 0 HA HIS A 66 2.834 7.969 1.678 1.00 43.42 H new ATOM 0 HB2 HIS A 66 3.644 8.580 4.037 1.00 32.02 H new ATOM 0 HB3 HIS A 66 5.276 8.555 3.399 1.00 32.02 H new ATOM 0 HD2 HIS A 66 1.986 10.689 2.929 1.00 52.21 H new ATOM 0 HE1 HIS A 66 5.311 12.935 1.560 1.00 3.32 H new ATOM 0 HE2 HIS A 66 2.812 12.992 2.016 1.00 32.34 H new ATOM 1099 N THR A 67 5.819 6.739 0.968 1.00 52.02 N ATOM 1100 CA THR A 67 6.806 6.573 -0.138 1.00 64.32 C ATOM 1101 C THR A 67 6.147 5.910 -1.355 1.00 34.21 C ATOM 1102 O THR A 67 6.564 6.145 -2.485 1.00 1.25 O ATOM 1103 CB THR A 67 8.087 5.733 0.245 1.00 71.12 C ATOM 1104 OG1 THR A 67 7.759 4.355 0.493 1.00 34.23 O ATOM 1105 CG2 THR A 67 8.818 6.302 1.466 1.00 71.04 C ATOM 0 H THR A 67 5.972 6.121 1.765 1.00 52.02 H new ATOM 0 HA THR A 67 7.138 7.586 -0.365 1.00 64.32 H new ATOM 0 HB THR A 67 8.753 5.798 -0.615 1.00 71.12 H new ATOM 0 HG1 THR A 67 6.982 4.306 1.089 1.00 34.23 H new ATOM 0 HG21 THR A 67 9.691 5.687 1.687 1.00 71.04 H new ATOM 0 HG22 THR A 67 9.137 7.323 1.256 1.00 71.04 H new ATOM 0 HG23 THR A 67 8.147 6.301 2.325 1.00 71.04 H new ATOM 1113 N ILE A 68 5.091 5.100 -1.107 1.00 5.24 N ATOM 1114 CA ILE A 68 4.391 4.351 -2.168 1.00 74.10 C ATOM 1115 C ILE A 68 3.490 5.317 -2.946 1.00 44.30 C ATOM 1116 O ILE A 68 3.322 5.206 -4.157 1.00 3.34 O ATOM 1117 CB ILE A 68 3.543 3.154 -1.590 1.00 35.33 C ATOM 1118 CG1 ILE A 68 4.374 2.320 -0.556 1.00 21.03 C ATOM 1119 CG2 ILE A 68 2.990 2.251 -2.723 1.00 15.50 C ATOM 1120 CD1 ILE A 68 5.773 1.931 -1.007 1.00 13.22 C ATOM 0 H ILE A 68 4.706 4.951 -0.174 1.00 5.24 H new ATOM 0 HA ILE A 68 5.138 3.916 -2.832 1.00 74.10 H new ATOM 0 HB ILE A 68 2.688 3.581 -1.065 1.00 35.33 H new ATOM 0 HG12 ILE A 68 4.454 2.894 0.367 1.00 21.03 H new ATOM 0 HG13 ILE A 68 3.821 1.411 -0.319 1.00 21.03 H new ATOM 0 HG21 ILE A 68 2.411 1.436 -2.289 1.00 15.50 H new ATOM 0 HG22 ILE A 68 2.351 2.841 -3.379 1.00 15.50 H new ATOM 0 HG23 ILE A 68 3.820 1.840 -3.298 1.00 15.50 H new ATOM 0 HD11 ILE A 68 6.263 1.357 -0.220 1.00 13.22 H new ATOM 0 HD12 ILE A 68 5.709 1.325 -1.911 1.00 13.22 H new ATOM 0 HD13 ILE A 68 6.352 2.831 -1.214 1.00 13.22 H new ATOM 1132 N MET A 69 2.945 6.296 -2.210 1.00 14.43 N ATOM 1133 CA MET A 69 2.121 7.366 -2.780 1.00 33.12 C ATOM 1134 C MET A 69 2.954 8.231 -3.749 1.00 15.33 C ATOM 1135 O MET A 69 2.523 8.509 -4.860 1.00 0.22 O ATOM 1136 CB MET A 69 1.510 8.241 -1.658 1.00 45.23 C ATOM 1137 CG MET A 69 0.871 7.441 -0.513 1.00 73.24 C ATOM 1138 SD MET A 69 -0.339 8.394 0.430 1.00 13.54 S ATOM 1139 CE MET A 69 -1.538 8.846 -0.824 1.00 2.12 C ATOM 0 H MET A 69 3.065 6.366 -1.200 1.00 14.43 H new ATOM 0 HA MET A 69 1.305 6.909 -3.340 1.00 33.12 H new ATOM 0 HB2 MET A 69 2.290 8.882 -1.247 1.00 45.23 H new ATOM 0 HB3 MET A 69 0.756 8.896 -2.094 1.00 45.23 H new ATOM 0 HG2 MET A 69 0.386 6.555 -0.923 1.00 73.24 H new ATOM 0 HG3 MET A 69 1.654 7.093 0.160 1.00 73.24 H new ATOM 0 HE1 MET A 69 -2.509 9.008 -0.357 1.00 2.12 H new ATOM 0 HE2 MET A 69 -1.217 9.761 -1.321 1.00 2.12 H new ATOM 0 HE3 MET A 69 -1.617 8.044 -1.557 1.00 2.12 H new ATOM 1149 N ASN A 70 4.162 8.624 -3.305 1.00 74.05 N ATOM 1150 CA ASN A 70 5.127 9.382 -4.139 1.00 71.34 C ATOM 1151 C ASN A 70 5.555 8.564 -5.386 1.00 13.53 C ATOM 1152 O ASN A 70 5.553 9.075 -6.507 1.00 55.34 O ATOM 1153 CB ASN A 70 6.383 9.747 -3.300 1.00 2.53 C ATOM 1154 CG ASN A 70 7.404 10.633 -4.039 1.00 2.02 C ATOM 1155 OD1 ASN A 70 6.939 11.563 -4.861 1.00 41.10 O flip ATOM 1156 ND2 ASN A 70 8.611 10.500 -3.853 1.00 1.40 N flip ATOM 0 H ASN A 70 4.500 8.429 -2.363 1.00 74.05 H new ATOM 0 HA ASN A 70 4.635 10.294 -4.478 1.00 71.34 H new ATOM 0 HB2 ASN A 70 6.063 10.261 -2.393 1.00 2.53 H new ATOM 0 HB3 ASN A 70 6.877 8.827 -2.988 1.00 2.53 H new ATOM 0 HD21 ASN A 70 8.953 9.779 -3.217 1.00 1.40 H new ATOM 0 HD22 ASN A 70 9.271 11.110 -4.334 1.00 1.40 H new ATOM 1163 N LEU A 71 5.893 7.288 -5.144 1.00 64.54 N ATOM 1164 CA LEU A 71 6.428 6.349 -6.157 1.00 54.42 C ATOM 1165 C LEU A 71 5.420 6.159 -7.328 1.00 54.22 C ATOM 1166 O LEU A 71 5.763 6.344 -8.504 1.00 2.12 O ATOM 1167 CB LEU A 71 6.756 4.988 -5.439 1.00 3.51 C ATOM 1168 CG LEU A 71 7.799 4.025 -6.106 1.00 25.31 C ATOM 1169 CD1 LEU A 71 8.210 2.886 -5.130 1.00 71.44 C ATOM 1170 CD2 LEU A 71 7.286 3.434 -7.437 1.00 43.43 C ATOM 0 H LEU A 71 5.802 6.866 -4.220 1.00 64.54 H new ATOM 0 HA LEU A 71 7.340 6.751 -6.599 1.00 54.42 H new ATOM 0 HB2 LEU A 71 7.113 5.220 -4.435 1.00 3.51 H new ATOM 0 HB3 LEU A 71 5.821 4.438 -5.326 1.00 3.51 H new ATOM 0 HG LEU A 71 8.679 4.626 -6.335 1.00 25.31 H new ATOM 0 HD11 LEU A 71 8.934 2.233 -5.617 1.00 71.44 H new ATOM 0 HD12 LEU A 71 8.656 3.318 -4.234 1.00 71.44 H new ATOM 0 HD13 LEU A 71 7.328 2.308 -4.853 1.00 71.44 H new ATOM 0 HD21 LEU A 71 8.045 2.774 -7.859 1.00 43.43 H new ATOM 0 HD22 LEU A 71 6.373 2.867 -7.255 1.00 43.43 H new ATOM 0 HD23 LEU A 71 7.078 4.242 -8.138 1.00 43.43 H new ATOM 1182 N VAL A 72 4.180 5.794 -6.971 1.00 1.11 N ATOM 1183 CA VAL A 72 3.108 5.491 -7.938 1.00 73.23 C ATOM 1184 C VAL A 72 2.542 6.773 -8.612 1.00 34.41 C ATOM 1185 O VAL A 72 2.182 6.749 -9.790 1.00 1.14 O ATOM 1186 CB VAL A 72 1.958 4.663 -7.256 1.00 24.12 C ATOM 1187 CG1 VAL A 72 0.845 4.332 -8.268 1.00 53.42 C ATOM 1188 CG2 VAL A 72 2.514 3.363 -6.611 1.00 42.15 C ATOM 0 H VAL A 72 3.888 5.699 -5.998 1.00 1.11 H new ATOM 0 HA VAL A 72 3.552 4.885 -8.728 1.00 73.23 H new ATOM 0 HB VAL A 72 1.529 5.278 -6.465 1.00 24.12 H new ATOM 0 HG11 VAL A 72 0.061 3.759 -7.772 1.00 53.42 H new ATOM 0 HG12 VAL A 72 0.424 5.257 -8.662 1.00 53.42 H new ATOM 0 HG13 VAL A 72 1.261 3.745 -9.087 1.00 53.42 H new ATOM 0 HG21 VAL A 72 1.698 2.809 -6.147 1.00 42.15 H new ATOM 0 HG22 VAL A 72 2.980 2.746 -7.379 1.00 42.15 H new ATOM 0 HG23 VAL A 72 3.255 3.620 -5.854 1.00 42.15 H new ATOM 1198 N ASP A 73 2.486 7.892 -7.862 1.00 2.11 N ATOM 1199 CA ASP A 73 2.045 9.206 -8.409 1.00 44.25 C ATOM 1200 C ASP A 73 2.993 9.682 -9.544 1.00 22.24 C ATOM 1201 O ASP A 73 2.555 10.299 -10.520 1.00 72.54 O ATOM 1202 CB ASP A 73 1.970 10.253 -7.274 1.00 43.42 C ATOM 1203 CG ASP A 73 1.387 11.602 -7.719 1.00 62.13 C ATOM 1204 OD1 ASP A 73 0.154 11.706 -7.853 1.00 43.02 O ATOM 1205 OD2 ASP A 73 2.159 12.568 -7.924 1.00 41.22 O ATOM 0 H ASP A 73 2.739 7.919 -6.874 1.00 2.11 H new ATOM 0 HA ASP A 73 1.050 9.088 -8.839 1.00 44.25 H new ATOM 0 HB2 ASP A 73 1.362 9.854 -6.463 1.00 43.42 H new ATOM 0 HB3 ASP A 73 2.971 10.414 -6.873 1.00 43.42 H new ATOM 1210 N LYS A 74 4.293 9.369 -9.394 1.00 14.34 N ATOM 1211 CA LYS A 74 5.311 9.599 -10.440 1.00 20.13 C ATOM 1212 C LYS A 74 5.044 8.758 -11.718 1.00 53.43 C ATOM 1213 O LYS A 74 5.345 9.197 -12.822 1.00 3.25 O ATOM 1214 CB LYS A 74 6.724 9.290 -9.893 1.00 43.20 C ATOM 1215 CG LYS A 74 7.281 10.343 -8.912 1.00 15.53 C ATOM 1216 CD LYS A 74 8.747 10.049 -8.520 1.00 53.54 C ATOM 1217 CE LYS A 74 9.351 11.123 -7.599 1.00 0.22 C ATOM 1218 NZ LYS A 74 10.778 10.847 -7.286 1.00 52.32 N ATOM 0 H LYS A 74 4.669 8.949 -8.544 1.00 14.34 H new ATOM 0 HA LYS A 74 5.249 10.651 -10.720 1.00 20.13 H new ATOM 0 HB2 LYS A 74 6.701 8.323 -9.391 1.00 43.20 H new ATOM 0 HB3 LYS A 74 7.412 9.197 -10.734 1.00 43.20 H new ATOM 0 HG2 LYS A 74 7.218 11.332 -9.367 1.00 15.53 H new ATOM 0 HG3 LYS A 74 6.663 10.365 -8.014 1.00 15.53 H new ATOM 0 HD2 LYS A 74 8.797 9.081 -8.021 1.00 53.54 H new ATOM 0 HD3 LYS A 74 9.351 9.973 -9.424 1.00 53.54 H new ATOM 0 HE2 LYS A 74 9.266 12.099 -8.076 1.00 0.22 H new ATOM 0 HE3 LYS A 74 8.779 11.170 -6.672 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 11.147 11.594 -6.663 1.00 52.32 H new ATOM 0 HZ2 LYS A 74 10.857 9.927 -6.808 1.00 52.32 H new ATOM 0 HZ3 LYS A 74 11.329 10.827 -8.168 1.00 52.32 H new ATOM 1232 N MET A 75 4.492 7.548 -11.557 1.00 74.32 N ATOM 1233 CA MET A 75 4.178 6.653 -12.700 1.00 10.43 C ATOM 1234 C MET A 75 3.136 7.285 -13.661 1.00 1.11 C ATOM 1235 O MET A 75 3.257 7.149 -14.883 1.00 3.30 O ATOM 1236 CB MET A 75 3.670 5.286 -12.191 1.00 10.30 C ATOM 1237 CG MET A 75 4.689 4.486 -11.374 1.00 0.43 C ATOM 1238 SD MET A 75 4.006 2.911 -10.840 1.00 31.40 S ATOM 1239 CE MET A 75 5.447 2.043 -10.242 1.00 1.25 C ATOM 0 H MET A 75 4.250 7.157 -10.647 1.00 74.32 H new ATOM 0 HA MET A 75 5.101 6.507 -13.261 1.00 10.43 H new ATOM 0 HB2 MET A 75 2.782 5.449 -11.580 1.00 10.30 H new ATOM 0 HB3 MET A 75 3.361 4.687 -13.048 1.00 10.30 H new ATOM 0 HG2 MET A 75 5.583 4.313 -11.973 1.00 0.43 H new ATOM 0 HG3 MET A 75 4.996 5.066 -10.503 1.00 0.43 H new ATOM 0 HE1 MET A 75 5.494 1.056 -10.702 1.00 1.25 H new ATOM 0 HE2 MET A 75 6.344 2.606 -10.500 1.00 1.25 H new ATOM 0 HE3 MET A 75 5.384 1.936 -9.159 1.00 1.25 H new ATOM 1249 N LEU A 76 2.134 7.997 -13.080 1.00 71.12 N ATOM 1250 CA LEU A 76 1.052 8.703 -13.835 1.00 14.35 C ATOM 1251 C LEU A 76 1.591 9.632 -14.956 1.00 23.14 C ATOM 1252 O LEU A 76 0.974 9.755 -16.023 1.00 21.04 O ATOM 1253 CB LEU A 76 0.148 9.528 -12.853 1.00 52.41 C ATOM 1254 CG LEU A 76 -1.038 8.762 -12.163 1.00 1.02 C ATOM 1255 CD1 LEU A 76 -2.016 8.175 -13.206 1.00 43.33 C ATOM 1256 CD2 LEU A 76 -0.535 7.673 -11.188 1.00 24.44 C ATOM 0 H LEU A 76 2.050 8.101 -12.069 1.00 71.12 H new ATOM 0 HA LEU A 76 0.463 7.926 -14.322 1.00 14.35 H new ATOM 0 HB2 LEU A 76 0.786 9.941 -12.071 1.00 52.41 H new ATOM 0 HB3 LEU A 76 -0.268 10.372 -13.403 1.00 52.41 H new ATOM 0 HG LEU A 76 -1.587 9.494 -11.570 1.00 1.02 H new ATOM 0 HD11 LEU A 76 -2.824 7.652 -12.694 1.00 43.33 H new ATOM 0 HD12 LEU A 76 -2.432 8.982 -13.810 1.00 43.33 H new ATOM 0 HD13 LEU A 76 -1.483 7.476 -13.851 1.00 43.33 H new ATOM 0 HD21 LEU A 76 -1.388 7.169 -10.734 1.00 24.44 H new ATOM 0 HD22 LEU A 76 0.067 6.947 -11.733 1.00 24.44 H new ATOM 0 HD23 LEU A 76 0.071 8.134 -10.408 1.00 24.44 H new ATOM 1268 N ASN A 77 2.725 10.289 -14.695 1.00 43.23 N ATOM 1269 CA ASN A 77 3.360 11.222 -15.652 1.00 25.44 C ATOM 1270 C ASN A 77 4.418 10.513 -16.523 1.00 11.31 C ATOM 1271 O ASN A 77 5.180 9.662 -16.043 1.00 1.32 O ATOM 1272 CB ASN A 77 3.979 12.465 -14.920 1.00 13.12 C ATOM 1273 CG ASN A 77 4.496 12.182 -13.512 1.00 60.13 C ATOM 1274 OD1 ASN A 77 5.741 11.778 -13.395 1.00 45.42 O flip ATOM 1275 ND2 ASN A 77 3.772 12.320 -12.533 1.00 73.30 N flip ATOM 0 H ASN A 77 3.235 10.194 -13.816 1.00 43.23 H new ATOM 0 HA ASN A 77 2.573 11.582 -16.315 1.00 25.44 H new ATOM 0 HB2 ASN A 77 4.800 12.853 -15.523 1.00 13.12 H new ATOM 0 HB3 ASN A 77 3.225 13.250 -14.865 1.00 13.12 H new ATOM 0 HD21 ASN A 77 2.809 12.635 -12.651 1.00 73.30 H new ATOM 0 HD22 ASN A 77 4.132 12.120 -11.600 1.00 73.30 H new ATOM 1282 N SER A 78 4.481 10.935 -17.809 1.00 14.23 N ATOM 1283 CA SER A 78 5.523 10.512 -18.786 1.00 42.43 C ATOM 1284 C SER A 78 6.926 11.058 -18.408 1.00 74.44 C ATOM 1285 O SER A 78 7.918 10.774 -19.086 1.00 63.13 O ATOM 1286 CB SER A 78 5.149 10.993 -20.214 1.00 53.12 C ATOM 1287 OG SER A 78 3.910 10.446 -20.656 1.00 45.25 O ATOM 0 H SER A 78 3.803 11.586 -18.205 1.00 14.23 H new ATOM 0 HA SER A 78 5.565 9.423 -18.762 1.00 42.43 H new ATOM 0 HB2 SER A 78 5.089 12.081 -20.225 1.00 53.12 H new ATOM 0 HB3 SER A 78 5.939 10.710 -20.910 1.00 53.12 H new ATOM 0 HG SER A 78 3.710 10.775 -21.557 1.00 45.25 H new ATOM 1293 N GLU A 79 6.980 11.862 -17.331 1.00 14.43 N ATOM 1294 CA GLU A 79 8.222 12.359 -16.724 1.00 1.32 C ATOM 1295 C GLU A 79 9.090 11.190 -16.178 1.00 63.31 C ATOM 1296 O GLU A 79 10.319 11.276 -16.140 1.00 60.13 O ATOM 1297 CB GLU A 79 7.833 13.331 -15.564 1.00 55.11 C ATOM 1298 CG GLU A 79 6.989 14.554 -15.983 1.00 54.14 C ATOM 1299 CD GLU A 79 7.696 15.437 -17.018 1.00 23.35 C ATOM 1300 OE1 GLU A 79 8.643 16.159 -16.639 1.00 41.54 O ATOM 1301 OE2 GLU A 79 7.328 15.404 -18.211 1.00 24.23 O ATOM 0 H GLU A 79 6.142 12.190 -16.850 1.00 14.43 H new ATOM 0 HA GLU A 79 8.816 12.877 -17.477 1.00 1.32 H new ATOM 0 HB2 GLU A 79 7.280 12.769 -14.811 1.00 55.11 H new ATOM 0 HB3 GLU A 79 8.747 13.687 -15.088 1.00 55.11 H new ATOM 0 HG2 GLU A 79 6.039 14.211 -16.393 1.00 54.14 H new ATOM 0 HG3 GLU A 79 6.758 15.150 -15.100 1.00 54.14 H new ATOM 1308 N ILE A 80 8.410 10.098 -15.758 1.00 53.15 N ATOM 1309 CA ILE A 80 9.013 8.979 -14.997 1.00 3.40 C ATOM 1310 C ILE A 80 8.697 7.617 -15.681 1.00 0.05 C ATOM 1311 O ILE A 80 7.612 7.431 -16.244 1.00 22.30 O ATOM 1312 CB ILE A 80 8.446 8.997 -13.530 1.00 71.13 C ATOM 1313 CG1 ILE A 80 8.666 10.408 -12.873 1.00 70.25 C ATOM 1314 CG2 ILE A 80 9.032 7.857 -12.655 1.00 14.24 C ATOM 1315 CD1 ILE A 80 10.091 10.708 -12.419 1.00 55.11 C ATOM 0 H ILE A 80 7.415 9.968 -15.940 1.00 53.15 H new ATOM 0 HA ILE A 80 10.096 9.100 -14.974 1.00 3.40 H new ATOM 0 HB ILE A 80 7.374 8.812 -13.590 1.00 71.13 H new ATOM 0 HG12 ILE A 80 8.363 11.173 -13.588 1.00 70.25 H new ATOM 0 HG13 ILE A 80 8.003 10.495 -12.012 1.00 70.25 H new ATOM 0 HG21 ILE A 80 8.609 7.914 -11.652 1.00 14.24 H new ATOM 0 HG22 ILE A 80 8.784 6.893 -13.099 1.00 14.24 H new ATOM 0 HG23 ILE A 80 10.115 7.962 -12.598 1.00 14.24 H new ATOM 0 HD11 ILE A 80 10.131 11.705 -11.981 1.00 55.11 H new ATOM 0 HD12 ILE A 80 10.398 9.973 -11.676 1.00 55.11 H new ATOM 0 HD13 ILE A 80 10.763 10.661 -13.276 1.00 55.11 H new ATOM 1327 N LYS A 81 9.660 6.681 -15.609 1.00 61.22 N ATOM 1328 CA LYS A 81 9.567 5.330 -16.216 1.00 32.01 C ATOM 1329 C LYS A 81 9.165 4.260 -15.163 1.00 53.53 C ATOM 1330 O LYS A 81 9.614 4.312 -14.013 1.00 44.41 O ATOM 1331 CB LYS A 81 10.948 4.979 -16.842 1.00 32.43 C ATOM 1332 CG LYS A 81 11.050 3.568 -17.463 1.00 42.24 C ATOM 1333 CD LYS A 81 12.471 3.244 -17.979 1.00 21.13 C ATOM 1334 CE LYS A 81 12.586 1.809 -18.520 1.00 33.31 C ATOM 1335 NZ LYS A 81 11.705 1.575 -19.692 1.00 43.43 N ATOM 0 H LYS A 81 10.541 6.839 -15.121 1.00 61.22 H new ATOM 0 HA LYS A 81 8.792 5.334 -16.983 1.00 32.01 H new ATOM 0 HB2 LYS A 81 11.177 5.715 -17.613 1.00 32.43 H new ATOM 0 HB3 LYS A 81 11.713 5.076 -16.072 1.00 32.43 H new ATOM 0 HG2 LYS A 81 10.760 2.826 -16.719 1.00 42.24 H new ATOM 0 HG3 LYS A 81 10.341 3.486 -18.287 1.00 42.24 H new ATOM 0 HD2 LYS A 81 12.738 3.949 -18.767 1.00 21.13 H new ATOM 0 HD3 LYS A 81 13.189 3.383 -17.170 1.00 21.13 H new ATOM 0 HE2 LYS A 81 13.620 1.611 -18.801 1.00 33.31 H new ATOM 0 HE3 LYS A 81 12.330 1.104 -17.729 1.00 33.31 H new ATOM 0 HZ1 LYS A 81 11.879 0.623 -20.073 1.00 43.43 H new ATOM 0 HZ2 LYS A 81 10.710 1.654 -19.400 1.00 43.43 H new ATOM 0 HZ3 LYS A 81 11.908 2.284 -20.426 1.00 43.43 H new ATOM 1349 N ILE A 82 8.319 3.290 -15.579 1.00 61.45 N ATOM 1350 CA ILE A 82 7.941 2.132 -14.738 1.00 72.53 C ATOM 1351 C ILE A 82 8.826 0.926 -15.118 1.00 13.00 C ATOM 1352 O ILE A 82 8.574 0.244 -16.123 1.00 41.04 O ATOM 1353 CB ILE A 82 6.414 1.719 -14.869 1.00 1.31 C ATOM 1354 CG1 ILE A 82 5.438 2.929 -14.662 1.00 64.13 C ATOM 1355 CG2 ILE A 82 6.071 0.570 -13.882 1.00 71.54 C ATOM 1356 CD1 ILE A 82 5.257 3.832 -15.869 1.00 43.20 C ATOM 0 H ILE A 82 7.882 3.288 -16.501 1.00 61.45 H new ATOM 0 HA ILE A 82 8.095 2.432 -13.701 1.00 72.53 H new ATOM 0 HB ILE A 82 6.271 1.368 -15.891 1.00 1.31 H new ATOM 0 HG12 ILE A 82 4.462 2.541 -14.370 1.00 64.13 H new ATOM 0 HG13 ILE A 82 5.804 3.531 -13.830 1.00 64.13 H new ATOM 0 HG21 ILE A 82 5.020 0.302 -13.987 1.00 71.54 H new ATOM 0 HG22 ILE A 82 6.691 -0.298 -14.105 1.00 71.54 H new ATOM 0 HG23 ILE A 82 6.261 0.899 -12.860 1.00 71.54 H new ATOM 0 HD11 ILE A 82 4.564 4.636 -15.621 1.00 43.20 H new ATOM 0 HD12 ILE A 82 6.220 4.257 -16.153 1.00 43.20 H new ATOM 0 HD13 ILE A 82 4.857 3.252 -16.701 1.00 43.20 H new ATOM 1368 N THR A 83 9.883 0.710 -14.332 1.00 23.11 N ATOM 1369 CA THR A 83 10.797 -0.436 -14.504 1.00 24.24 C ATOM 1370 C THR A 83 10.189 -1.722 -13.873 1.00 73.42 C ATOM 1371 O THR A 83 9.378 -1.631 -12.941 1.00 21.12 O ATOM 1372 CB THR A 83 12.203 -0.100 -13.875 1.00 11.32 C ATOM 1373 OG1 THR A 83 12.753 1.048 -14.543 1.00 12.15 O ATOM 1374 CG2 THR A 83 13.213 -1.269 -13.950 1.00 42.24 C ATOM 0 H THR A 83 10.135 1.322 -13.556 1.00 23.11 H new ATOM 0 HA THR A 83 10.934 -0.625 -15.569 1.00 24.24 H new ATOM 0 HB THR A 83 12.036 0.098 -12.816 1.00 11.32 H new ATOM 0 HG1 THR A 83 13.627 1.264 -14.156 1.00 12.15 H new ATOM 0 HG21 THR A 83 14.157 -0.964 -13.498 1.00 42.24 H new ATOM 0 HG22 THR A 83 12.814 -2.129 -13.412 1.00 42.24 H new ATOM 0 HG23 THR A 83 13.380 -1.539 -14.993 1.00 42.24 H new ATOM 1382 N SER A 84 10.574 -2.908 -14.400 1.00 52.32 N ATOM 1383 CA SER A 84 10.093 -4.228 -13.906 1.00 20.34 C ATOM 1384 C SER A 84 10.333 -4.399 -12.381 1.00 22.14 C ATOM 1385 O SER A 84 9.399 -4.667 -11.622 1.00 75.10 O ATOM 1386 CB SER A 84 10.786 -5.376 -14.685 1.00 10.11 C ATOM 1387 OG SER A 84 12.200 -5.361 -14.499 1.00 32.55 O ATOM 0 H SER A 84 11.227 -2.981 -15.180 1.00 52.32 H new ATOM 0 HA SER A 84 9.017 -4.270 -14.078 1.00 20.34 H new ATOM 0 HB2 SER A 84 10.386 -6.334 -14.354 1.00 10.11 H new ATOM 0 HB3 SER A 84 10.558 -5.285 -15.747 1.00 10.11 H new ATOM 0 HG SER A 84 12.604 -6.098 -15.002 1.00 32.55 H new ATOM 1393 N ASP A 85 11.592 -4.190 -11.949 1.00 52.23 N ATOM 1394 CA ASP A 85 11.997 -4.275 -10.521 1.00 22.11 C ATOM 1395 C ASP A 85 11.487 -3.078 -9.680 1.00 44.21 C ATOM 1396 O ASP A 85 11.479 -3.145 -8.451 1.00 4.42 O ATOM 1397 CB ASP A 85 13.529 -4.408 -10.407 1.00 3.42 C ATOM 1398 CG ASP A 85 14.051 -5.671 -11.109 1.00 3.05 C ATOM 1399 OD1 ASP A 85 13.998 -6.764 -10.503 1.00 61.34 O ATOM 1400 OD2 ASP A 85 14.486 -5.585 -12.276 1.00 14.43 O ATOM 0 H ASP A 85 12.362 -3.957 -12.576 1.00 52.23 H new ATOM 0 HA ASP A 85 11.527 -5.168 -10.108 1.00 22.11 H new ATOM 0 HB2 ASP A 85 14.003 -3.529 -10.843 1.00 3.42 H new ATOM 0 HB3 ASP A 85 13.813 -4.434 -9.355 1.00 3.42 H new ATOM 1405 N LEU A 86 11.090 -1.978 -10.340 1.00 72.23 N ATOM 1406 CA LEU A 86 10.439 -0.839 -9.653 1.00 61.32 C ATOM 1407 C LEU A 86 9.034 -1.245 -9.125 1.00 62.13 C ATOM 1408 O LEU A 86 8.588 -0.764 -8.081 1.00 60.33 O ATOM 1409 CB LEU A 86 10.316 0.383 -10.588 1.00 75.12 C ATOM 1410 CG LEU A 86 9.704 1.651 -9.924 1.00 3.15 C ATOM 1411 CD1 LEU A 86 10.692 2.309 -8.930 1.00 3.35 C ATOM 1412 CD2 LEU A 86 9.190 2.655 -10.982 1.00 42.20 C ATOM 0 H LEU A 86 11.206 -1.849 -11.345 1.00 72.23 H new ATOM 0 HA LEU A 86 11.069 -0.563 -8.807 1.00 61.32 H new ATOM 0 HB2 LEU A 86 11.306 0.632 -10.971 1.00 75.12 H new ATOM 0 HB3 LEU A 86 9.703 0.107 -11.446 1.00 75.12 H new ATOM 0 HG LEU A 86 8.839 1.330 -9.344 1.00 3.15 H new ATOM 0 HD11 LEU A 86 10.229 3.191 -8.487 1.00 3.35 H new ATOM 0 HD12 LEU A 86 10.945 1.598 -8.144 1.00 3.35 H new ATOM 0 HD13 LEU A 86 11.599 2.602 -9.459 1.00 3.35 H new ATOM 0 HD21 LEU A 86 8.770 3.527 -10.482 1.00 42.20 H new ATOM 0 HD22 LEU A 86 10.017 2.966 -11.620 1.00 42.20 H new ATOM 0 HD23 LEU A 86 8.421 2.180 -11.591 1.00 42.20 H new ATOM 1424 N ILE A 87 8.346 -2.122 -9.873 1.00 35.03 N ATOM 1425 CA ILE A 87 7.071 -2.738 -9.429 1.00 51.14 C ATOM 1426 C ILE A 87 7.312 -3.619 -8.167 1.00 53.31 C ATOM 1427 O ILE A 87 6.473 -3.678 -7.259 1.00 33.50 O ATOM 1428 CB ILE A 87 6.446 -3.613 -10.578 1.00 74.25 C ATOM 1429 CG1 ILE A 87 6.313 -2.787 -11.901 1.00 54.23 C ATOM 1430 CG2 ILE A 87 5.079 -4.218 -10.169 1.00 1.24 C ATOM 1431 CD1 ILE A 87 5.875 -3.591 -13.121 1.00 45.43 C ATOM 0 H ILE A 87 8.650 -2.427 -10.798 1.00 35.03 H new ATOM 0 HA ILE A 87 6.373 -1.938 -9.181 1.00 51.14 H new ATOM 0 HB ILE A 87 7.129 -4.444 -10.756 1.00 74.25 H new ATOM 0 HG12 ILE A 87 5.596 -1.982 -11.739 1.00 54.23 H new ATOM 0 HG13 ILE A 87 7.274 -2.320 -12.118 1.00 54.23 H new ATOM 0 HG21 ILE A 87 4.684 -4.814 -10.992 1.00 1.24 H new ATOM 0 HG22 ILE A 87 5.209 -4.852 -9.292 1.00 1.24 H new ATOM 0 HG23 ILE A 87 4.381 -3.414 -9.936 1.00 1.24 H new ATOM 0 HD11 ILE A 87 5.812 -2.932 -13.987 1.00 45.43 H new ATOM 0 HD12 ILE A 87 6.602 -4.380 -13.317 1.00 45.43 H new ATOM 0 HD13 ILE A 87 4.898 -4.036 -12.932 1.00 45.43 H new ATOM 1443 N ASP A 88 8.494 -4.279 -8.127 1.00 33.03 N ATOM 1444 CA ASP A 88 8.966 -5.055 -6.948 1.00 65.04 C ATOM 1445 C ASP A 88 9.297 -4.115 -5.767 1.00 12.30 C ATOM 1446 O ASP A 88 9.174 -4.505 -4.600 1.00 30.53 O ATOM 1447 CB ASP A 88 10.229 -5.893 -7.297 1.00 22.32 C ATOM 1448 CG ASP A 88 9.980 -6.988 -8.345 1.00 53.30 C ATOM 1449 OD1 ASP A 88 9.590 -6.658 -9.480 1.00 41.21 O ATOM 1450 OD2 ASP A 88 10.207 -8.182 -8.051 1.00 14.54 O ATOM 0 H ASP A 88 9.149 -4.290 -8.909 1.00 33.03 H new ATOM 0 HA ASP A 88 8.158 -5.728 -6.661 1.00 65.04 H new ATOM 0 HB2 ASP A 88 11.007 -5.224 -7.663 1.00 22.32 H new ATOM 0 HB3 ASP A 88 10.609 -6.355 -6.386 1.00 22.32 H new ATOM 1455 N LYS A 89 9.716 -2.869 -6.089 1.00 13.01 N ATOM 1456 CA LYS A 89 10.056 -1.842 -5.077 1.00 65.21 C ATOM 1457 C LYS A 89 8.778 -1.374 -4.334 1.00 72.44 C ATOM 1458 O LYS A 89 8.834 -0.998 -3.170 1.00 60.33 O ATOM 1459 CB LYS A 89 10.778 -0.643 -5.762 1.00 14.23 C ATOM 1460 CG LYS A 89 11.558 0.289 -4.805 1.00 32.50 C ATOM 1461 CD LYS A 89 12.425 1.321 -5.569 1.00 12.40 C ATOM 1462 CE LYS A 89 13.346 2.135 -4.643 1.00 33.23 C ATOM 1463 NZ LYS A 89 14.266 3.017 -5.407 1.00 11.32 N ATOM 0 H LYS A 89 9.827 -2.549 -7.051 1.00 13.01 H new ATOM 0 HA LYS A 89 10.732 -2.275 -4.340 1.00 65.21 H new ATOM 0 HB2 LYS A 89 11.471 -1.034 -6.507 1.00 14.23 H new ATOM 0 HB3 LYS A 89 10.036 -0.050 -6.297 1.00 14.23 H new ATOM 0 HG2 LYS A 89 10.854 0.815 -4.160 1.00 32.50 H new ATOM 0 HG3 LYS A 89 12.197 -0.311 -4.157 1.00 32.50 H new ATOM 0 HD2 LYS A 89 13.032 0.800 -6.310 1.00 12.40 H new ATOM 0 HD3 LYS A 89 11.772 2.003 -6.114 1.00 12.40 H new ATOM 0 HE2 LYS A 89 12.739 2.741 -3.970 1.00 33.23 H new ATOM 0 HE3 LYS A 89 13.929 1.455 -4.022 1.00 33.23 H new ATOM 0 HZ1 LYS A 89 14.868 3.547 -4.745 1.00 11.32 H new ATOM 0 HZ2 LYS A 89 14.863 2.438 -6.031 1.00 11.32 H new ATOM 0 HZ3 LYS A 89 13.711 3.684 -5.980 1.00 11.32 H new ATOM 1477 N VAL A 90 7.635 -1.405 -5.048 1.00 13.11 N ATOM 1478 CA VAL A 90 6.288 -1.170 -4.466 1.00 55.11 C ATOM 1479 C VAL A 90 5.839 -2.394 -3.622 1.00 63.13 C ATOM 1480 O VAL A 90 5.437 -2.268 -2.456 1.00 12.12 O ATOM 1481 CB VAL A 90 5.218 -0.936 -5.604 1.00 21.13 C ATOM 1482 CG1 VAL A 90 3.829 -0.565 -5.022 1.00 21.11 C ATOM 1483 CG2 VAL A 90 5.707 0.111 -6.636 1.00 72.24 C ATOM 0 H VAL A 90 7.615 -1.594 -6.050 1.00 13.11 H new ATOM 0 HA VAL A 90 6.355 -0.284 -3.835 1.00 55.11 H new ATOM 0 HB VAL A 90 5.098 -1.881 -6.134 1.00 21.13 H new ATOM 0 HG11 VAL A 90 3.122 -0.412 -5.837 1.00 21.11 H new ATOM 0 HG12 VAL A 90 3.475 -1.373 -4.381 1.00 21.11 H new ATOM 0 HG13 VAL A 90 3.912 0.351 -4.438 1.00 21.11 H new ATOM 0 HG21 VAL A 90 4.946 0.247 -7.405 1.00 72.24 H new ATOM 0 HG22 VAL A 90 5.888 1.061 -6.133 1.00 72.24 H new ATOM 0 HG23 VAL A 90 6.631 -0.237 -7.098 1.00 72.24 H new ATOM 1493 N LYS A 91 5.958 -3.572 -4.262 1.00 24.02 N ATOM 1494 CA LYS A 91 5.424 -4.865 -3.776 1.00 60.30 C ATOM 1495 C LYS A 91 6.023 -5.252 -2.398 1.00 42.52 C ATOM 1496 O LYS A 91 5.287 -5.576 -1.462 1.00 11.23 O ATOM 1497 CB LYS A 91 5.720 -5.964 -4.865 1.00 12.22 C ATOM 1498 CG LYS A 91 4.818 -7.233 -4.845 1.00 73.55 C ATOM 1499 CD LYS A 91 5.007 -8.122 -3.600 1.00 13.53 C ATOM 1500 CE LYS A 91 4.240 -9.444 -3.668 1.00 1.04 C ATOM 1501 NZ LYS A 91 4.302 -10.154 -2.367 1.00 21.41 N ATOM 0 H LYS A 91 6.441 -3.657 -5.156 1.00 24.02 H new ATOM 0 HA LYS A 91 4.348 -4.780 -3.625 1.00 60.30 H new ATOM 0 HB2 LYS A 91 5.633 -5.501 -5.848 1.00 12.22 H new ATOM 0 HB3 LYS A 91 6.757 -6.282 -4.754 1.00 12.22 H new ATOM 0 HG2 LYS A 91 3.774 -6.924 -4.902 1.00 73.55 H new ATOM 0 HG3 LYS A 91 5.024 -7.826 -5.736 1.00 73.55 H new ATOM 0 HD2 LYS A 91 6.069 -8.334 -3.473 1.00 13.53 H new ATOM 0 HD3 LYS A 91 4.685 -7.570 -2.717 1.00 13.53 H new ATOM 0 HE2 LYS A 91 3.200 -9.254 -3.935 1.00 1.04 H new ATOM 0 HE3 LYS A 91 4.660 -10.074 -4.452 1.00 1.04 H new ATOM 0 HZ1 LYS A 91 4.325 -11.181 -2.532 1.00 21.41 H new ATOM 0 HZ2 LYS A 91 5.161 -9.867 -1.855 1.00 21.41 H new ATOM 0 HZ3 LYS A 91 3.464 -9.913 -1.800 1.00 21.41 H new ATOM 1515 N LYS A 92 7.360 -5.201 -2.299 1.00 14.40 N ATOM 1516 CA LYS A 92 8.100 -5.635 -1.096 1.00 51.33 C ATOM 1517 C LYS A 92 7.876 -4.677 0.111 1.00 5.11 C ATOM 1518 O LYS A 92 7.896 -5.104 1.266 1.00 32.33 O ATOM 1519 CB LYS A 92 9.606 -5.774 -1.429 1.00 4.23 C ATOM 1520 CG LYS A 92 10.458 -6.349 -0.281 1.00 2.11 C ATOM 1521 CD LYS A 92 10.010 -7.775 0.137 1.00 54.32 C ATOM 1522 CE LYS A 92 10.904 -8.380 1.231 1.00 10.45 C ATOM 1523 NZ LYS A 92 12.307 -8.552 0.770 1.00 45.21 N ATOM 0 H LYS A 92 7.962 -4.859 -3.048 1.00 14.40 H new ATOM 0 HA LYS A 92 7.711 -6.607 -0.794 1.00 51.33 H new ATOM 0 HB2 LYS A 92 9.715 -6.415 -2.304 1.00 4.23 H new ATOM 0 HB3 LYS A 92 9.998 -4.794 -1.701 1.00 4.23 H new ATOM 0 HG2 LYS A 92 11.504 -6.376 -0.587 1.00 2.11 H new ATOM 0 HG3 LYS A 92 10.395 -5.685 0.581 1.00 2.11 H new ATOM 0 HD2 LYS A 92 8.981 -7.738 0.494 1.00 54.32 H new ATOM 0 HD3 LYS A 92 10.021 -8.426 -0.737 1.00 54.32 H new ATOM 0 HE2 LYS A 92 10.887 -7.736 2.110 1.00 10.45 H new ATOM 0 HE3 LYS A 92 10.501 -9.346 1.536 1.00 10.45 H new ATOM 0 HZ1 LYS A 92 12.835 -9.113 1.468 1.00 45.21 H new ATOM 0 HZ2 LYS A 92 12.313 -9.044 -0.146 1.00 45.21 H new ATOM 0 HZ3 LYS A 92 12.755 -7.619 0.665 1.00 45.21 H new ATOM 1537 N LYS A 93 7.679 -3.383 -0.179 1.00 14.35 N ATOM 1538 CA LYS A 93 7.271 -2.371 0.837 1.00 20.12 C ATOM 1539 C LYS A 93 5.847 -2.636 1.379 1.00 70.01 C ATOM 1540 O LYS A 93 5.544 -2.335 2.537 1.00 45.51 O ATOM 1541 CB LYS A 93 7.333 -0.957 0.231 1.00 40.44 C ATOM 1542 CG LYS A 93 8.744 -0.477 -0.139 1.00 74.24 C ATOM 1543 CD LYS A 93 9.693 -0.378 1.073 1.00 55.20 C ATOM 1544 CE LYS A 93 11.122 -0.020 0.650 1.00 14.21 C ATOM 1545 NZ LYS A 93 11.680 -1.027 -0.292 1.00 54.11 N ATOM 0 H LYS A 93 7.794 -2.998 -1.117 1.00 14.35 H new ATOM 0 HA LYS A 93 7.969 -2.450 1.670 1.00 20.12 H new ATOM 0 HB2 LYS A 93 6.710 -0.932 -0.663 1.00 40.44 H new ATOM 0 HB3 LYS A 93 6.899 -0.253 0.941 1.00 40.44 H new ATOM 0 HG2 LYS A 93 9.172 -1.161 -0.872 1.00 74.24 H new ATOM 0 HG3 LYS A 93 8.674 0.500 -0.617 1.00 74.24 H new ATOM 0 HD2 LYS A 93 9.320 0.376 1.766 1.00 55.20 H new ATOM 0 HD3 LYS A 93 9.700 -1.328 1.608 1.00 55.20 H new ATOM 0 HE2 LYS A 93 11.128 0.963 0.179 1.00 14.21 H new ATOM 0 HE3 LYS A 93 11.758 0.046 1.533 1.00 14.21 H new ATOM 0 HZ1 LYS A 93 12.713 -0.916 -0.348 1.00 54.11 H new ATOM 0 HZ2 LYS A 93 11.453 -1.983 0.047 1.00 54.11 H new ATOM 0 HZ3 LYS A 93 11.265 -0.887 -1.235 1.00 54.11 H new ATOM 1559 N LEU A 94 4.986 -3.189 0.521 1.00 53.40 N ATOM 1560 CA LEU A 94 3.606 -3.566 0.886 1.00 4.21 C ATOM 1561 C LEU A 94 3.628 -4.876 1.737 1.00 34.25 C ATOM 1562 O LEU A 94 2.817 -5.055 2.658 1.00 45.23 O ATOM 1563 CB LEU A 94 2.765 -3.689 -0.426 1.00 32.34 C ATOM 1564 CG LEU A 94 1.210 -3.549 -0.320 1.00 51.22 C ATOM 1565 CD1 LEU A 94 0.544 -4.781 0.299 1.00 23.55 C ATOM 1566 CD2 LEU A 94 0.815 -2.255 0.430 1.00 31.00 C ATOM 0 H LEU A 94 5.221 -3.391 -0.451 1.00 53.40 H new ATOM 0 HA LEU A 94 3.134 -2.806 1.508 1.00 4.21 H new ATOM 0 HB2 LEU A 94 3.121 -2.931 -1.123 1.00 32.34 H new ATOM 0 HB3 LEU A 94 2.983 -4.659 -0.872 1.00 32.34 H new ATOM 0 HG LEU A 94 0.833 -3.477 -1.340 1.00 51.22 H new ATOM 0 HD11 LEU A 94 -0.534 -4.626 0.347 1.00 23.55 H new ATOM 0 HD12 LEU A 94 0.758 -5.657 -0.314 1.00 23.55 H new ATOM 0 HD13 LEU A 94 0.933 -4.938 1.305 1.00 23.55 H new ATOM 0 HD21 LEU A 94 -0.271 -2.185 0.488 1.00 31.00 H new ATOM 0 HD22 LEU A 94 1.231 -2.277 1.437 1.00 31.00 H new ATOM 0 HD23 LEU A 94 1.206 -1.390 -0.106 1.00 31.00 H new ATOM 1578 N ASP A 95 4.584 -5.772 1.421 1.00 1.32 N ATOM 1579 CA ASP A 95 4.927 -6.942 2.265 1.00 32.12 C ATOM 1580 C ASP A 95 5.482 -6.493 3.637 1.00 55.11 C ATOM 1581 O ASP A 95 5.248 -7.140 4.656 1.00 10.25 O ATOM 1582 CB ASP A 95 5.988 -7.816 1.552 1.00 14.42 C ATOM 1583 CG ASP A 95 5.456 -8.611 0.352 1.00 4.05 C ATOM 1584 OD1 ASP A 95 4.267 -9.006 0.347 1.00 4.13 O ATOM 1585 OD2 ASP A 95 6.244 -8.888 -0.576 1.00 14.32 O ATOM 0 H ASP A 95 5.144 -5.707 0.571 1.00 1.32 H new ATOM 0 HA ASP A 95 4.016 -7.519 2.425 1.00 32.12 H new ATOM 0 HB2 ASP A 95 6.802 -7.174 1.214 1.00 14.42 H new ATOM 0 HB3 ASP A 95 6.411 -8.513 2.275 1.00 14.42 H new ATOM 1590 N MET A 96 6.229 -5.380 3.621 1.00 43.11 N ATOM 1591 CA MET A 96 6.802 -4.747 4.829 1.00 14.53 C ATOM 1592 C MET A 96 5.696 -4.201 5.781 1.00 50.23 C ATOM 1593 O MET A 96 5.912 -4.109 6.989 1.00 50.31 O ATOM 1594 CB MET A 96 7.822 -3.654 4.397 1.00 45.41 C ATOM 1595 CG MET A 96 8.211 -2.611 5.459 1.00 62.04 C ATOM 1596 SD MET A 96 9.481 -1.457 4.882 1.00 0.11 S ATOM 1597 CE MET A 96 10.889 -2.542 4.621 1.00 54.13 C ATOM 0 H MET A 96 6.458 -4.884 2.760 1.00 43.11 H new ATOM 0 HA MET A 96 7.334 -5.500 5.411 1.00 14.53 H new ATOM 0 HB2 MET A 96 8.731 -4.152 4.060 1.00 45.41 H new ATOM 0 HB3 MET A 96 7.410 -3.126 3.537 1.00 45.41 H new ATOM 0 HG2 MET A 96 7.324 -2.050 5.752 1.00 62.04 H new ATOM 0 HG3 MET A 96 8.572 -3.125 6.350 1.00 62.04 H new ATOM 0 HE1 MET A 96 11.805 -1.951 4.598 1.00 54.13 H new ATOM 0 HE2 MET A 96 10.945 -3.267 5.433 1.00 54.13 H new ATOM 0 HE3 MET A 96 10.773 -3.068 3.673 1.00 54.13 H new ATOM 1607 N VAL A 97 4.519 -3.853 5.225 1.00 0.22 N ATOM 1608 CA VAL A 97 3.323 -3.472 6.031 1.00 1.41 C ATOM 1609 C VAL A 97 2.800 -4.692 6.848 1.00 31.41 C ATOM 1610 O VAL A 97 2.478 -4.576 8.038 1.00 44.21 O ATOM 1611 CB VAL A 97 2.176 -2.899 5.113 1.00 70.15 C ATOM 1612 CG1 VAL A 97 0.962 -2.398 5.946 1.00 30.22 C ATOM 1613 CG2 VAL A 97 2.726 -1.784 4.184 1.00 41.02 C ATOM 0 H VAL A 97 4.362 -3.825 4.217 1.00 0.22 H new ATOM 0 HA VAL A 97 3.626 -2.689 6.726 1.00 1.41 H new ATOM 0 HB VAL A 97 1.813 -3.715 4.488 1.00 70.15 H new ATOM 0 HG11 VAL A 97 0.195 -2.011 5.275 1.00 30.22 H new ATOM 0 HG12 VAL A 97 0.553 -3.225 6.527 1.00 30.22 H new ATOM 0 HG13 VAL A 97 1.286 -1.606 6.621 1.00 30.22 H new ATOM 0 HG21 VAL A 97 1.920 -1.401 3.558 1.00 41.02 H new ATOM 0 HG22 VAL A 97 3.132 -0.973 4.789 1.00 41.02 H new ATOM 0 HG23 VAL A 97 3.513 -2.193 3.551 1.00 41.02 H new ATOM 1623 N THR A 98 2.752 -5.866 6.183 1.00 12.31 N ATOM 1624 CA THR A 98 2.444 -7.175 6.831 1.00 14.21 C ATOM 1625 C THR A 98 3.538 -7.555 7.873 1.00 14.21 C ATOM 1626 O THR A 98 3.243 -8.066 8.953 1.00 62.03 O ATOM 1627 CB THR A 98 2.338 -8.314 5.745 1.00 62.01 C ATOM 1628 OG1 THR A 98 1.299 -7.999 4.798 1.00 5.11 O ATOM 1629 CG2 THR A 98 2.058 -9.705 6.353 1.00 31.21 C ATOM 0 H THR A 98 2.925 -5.941 5.181 1.00 12.31 H new ATOM 0 HA THR A 98 1.489 -7.074 7.346 1.00 14.21 H new ATOM 0 HB THR A 98 3.309 -8.360 5.251 1.00 62.01 H new ATOM 0 HG1 THR A 98 1.242 -8.711 4.127 1.00 5.11 H new ATOM 0 HG21 THR A 98 1.996 -10.445 5.555 1.00 31.21 H new ATOM 0 HG22 THR A 98 2.865 -9.973 7.035 1.00 31.21 H new ATOM 0 HG23 THR A 98 1.115 -9.680 6.899 1.00 31.21 H new ATOM 1637 N ARG A 99 4.799 -7.266 7.507 1.00 63.44 N ATOM 1638 CA ARG A 99 6.020 -7.543 8.315 1.00 53.20 C ATOM 1639 C ARG A 99 6.088 -6.636 9.579 1.00 52.43 C ATOM 1640 O ARG A 99 6.686 -6.998 10.600 1.00 4.44 O ATOM 1641 CB ARG A 99 7.242 -7.313 7.386 1.00 71.41 C ATOM 1642 CG ARG A 99 8.629 -7.696 7.937 1.00 71.44 C ATOM 1643 CD ARG A 99 9.740 -7.424 6.895 1.00 13.12 C ATOM 1644 NE ARG A 99 11.070 -7.884 7.333 1.00 65.32 N ATOM 1645 CZ ARG A 99 12.174 -7.789 6.621 1.00 15.43 C ATOM 1646 NH1 ARG A 99 12.169 -7.250 5.440 1.00 42.24 N ATOM 1647 NH2 ARG A 99 13.285 -8.230 7.110 1.00 22.22 N ATOM 0 H ARG A 99 5.013 -6.820 6.615 1.00 63.44 H new ATOM 0 HA ARG A 99 6.007 -8.569 8.683 1.00 53.20 H new ATOM 0 HB2 ARG A 99 7.077 -7.875 6.466 1.00 71.41 H new ATOM 0 HB3 ARG A 99 7.266 -6.257 7.115 1.00 71.41 H new ATOM 0 HG2 ARG A 99 8.832 -7.128 8.845 1.00 71.44 H new ATOM 0 HG3 ARG A 99 8.635 -8.751 8.212 1.00 71.44 H new ATOM 0 HD2 ARG A 99 9.481 -7.919 5.959 1.00 13.12 H new ATOM 0 HD3 ARG A 99 9.782 -6.355 6.689 1.00 13.12 H new ATOM 0 HE ARG A 99 11.141 -8.308 8.258 1.00 65.32 H new ATOM 0 HH11 ARG A 99 11.299 -6.890 5.047 1.00 42.24 H new ATOM 0 HH12 ARG A 99 13.035 -7.186 4.905 1.00 42.24 H new ATOM 0 HH21 ARG A 99 13.303 -8.648 8.040 1.00 22.22 H new ATOM 0 HH22 ARG A 99 14.145 -8.161 6.566 1.00 22.22 H new ATOM 1661 N GLU A 100 5.470 -5.450 9.469 1.00 31.15 N ATOM 1662 CA GLU A 100 5.328 -4.480 10.575 1.00 51.24 C ATOM 1663 C GLU A 100 4.279 -4.996 11.594 1.00 53.44 C ATOM 1664 O GLU A 100 4.563 -5.120 12.795 1.00 74.00 O ATOM 1665 CB GLU A 100 4.908 -3.099 9.977 1.00 4.02 C ATOM 1666 CG GLU A 100 4.952 -1.883 10.933 1.00 62.32 C ATOM 1667 CD GLU A 100 3.809 -1.818 11.974 1.00 4.01 C ATOM 1668 OE1 GLU A 100 2.632 -1.677 11.564 1.00 62.20 O ATOM 1669 OE2 GLU A 100 4.085 -1.885 13.196 1.00 52.54 O ATOM 0 H GLU A 100 5.047 -5.130 8.598 1.00 31.15 H new ATOM 0 HA GLU A 100 6.274 -4.363 11.103 1.00 51.24 H new ATOM 0 HB2 GLU A 100 5.555 -2.886 9.126 1.00 4.02 H new ATOM 0 HB3 GLU A 100 3.893 -3.191 9.590 1.00 4.02 H new ATOM 0 HG2 GLU A 100 5.904 -1.893 11.464 1.00 62.32 H new ATOM 0 HG3 GLU A 100 4.930 -0.971 10.336 1.00 62.32 H new