USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 517 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 36 GLN : amide:sc= 0 K(o=-2.6,f=-3.2) USER MOD Set 1.2: A 40 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2.6!) USER MOD Set 2.1: A 12 GLN : amide:sc= 0.102 K(o=-5.2,f=-13!) USER MOD Set 2.2: A 52 ASN : amide:sc= -1.28 K(o=-5.2,f=-8.5!) USER MOD Set 2.3: A 55 CYS SG : rot -169:sc= -1.86! USER MOD Set 2.4: A 75 CYS SG : rot 70:sc= -2.2! USER MOD Single : A 15 LYS NZ :NH3+ -169:sc=-0.00333 (180deg=-0.122) USER MOD Single : A 21 TYR OH : rot 29:sc= 0.394 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 1.09 (180deg=0.00352!) USER MOD Single : A 28 THR OG1 : rot -83:sc= 0.997 USER MOD Single : A 33 GLN : amide:sc= -0.637 X(o=-0.64,f=-0.28) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00509 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.113 (180deg=-0.578) USER MOD Single : A 43 THR OG1 : rot -85:sc= 1.14 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 49 GLN : amide:sc= -1.41 K(o=-1.4,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.607 K(o=0.61,f=-0.98) USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.17 (180deg=-0.984) USER MOD Single : A 57 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -131:sc= -0.424 (180deg=-1.72) USER MOD Single : A 72 MET CE :methyl -149:sc= -0.223 (180deg=-0.846) USER MOD Single : A 73 THR OG1 : rot 72:sc= 0.342 USER MOD Single : A 76 GLN : amide:sc= -0.609 K(o=-0.61,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 129 N ASP A 9 27.724 2.507 -9.437 1.00 10.57 N ATOM 130 CA ASP A 9 28.167 3.167 -8.211 1.00 10.51 C ATOM 131 C ASP A 9 27.347 2.709 -7.017 1.00 9.48 C ATOM 132 O ASP A 9 27.647 3.084 -5.882 1.00 9.50 O ATOM 133 CB ASP A 9 28.077 4.687 -8.331 1.00 11.48 C ATOM 134 CG ASP A 9 29.298 5.294 -8.982 1.00 12.16 C ATOM 135 OD1 ASP A 9 29.174 5.822 -10.107 1.00 12.46 O ATOM 136 OD2 ASP A 9 30.392 5.228 -8.385 1.00 12.54 O ATOM 0 HA ASP A 9 29.209 2.887 -8.059 1.00 10.51 H new ATOM 0 HB2 ASP A 9 27.192 4.950 -8.911 1.00 11.48 H new ATOM 0 HB3 ASP A 9 27.947 5.119 -7.339 1.00 11.48 H new ATOM 141 N ILE A 10 26.329 1.883 -7.296 1.00 8.74 N ATOM 142 CA ILE A 10 25.444 1.290 -6.287 1.00 7.86 C ATOM 143 C ILE A 10 25.225 2.195 -5.071 1.00 7.43 C ATOM 144 O ILE A 10 25.515 1.820 -3.932 1.00 6.73 O ATOM 145 CB ILE A 10 25.916 -0.121 -5.832 1.00 7.25 C ATOM 146 CG1 ILE A 10 27.343 -0.115 -5.240 1.00 7.42 C ATOM 147 CG2 ILE A 10 25.826 -1.095 -6.996 1.00 7.55 C ATOM 148 CD1 ILE A 10 28.457 -0.256 -6.259 1.00 7.84 C ATOM 0 H ILE A 10 26.094 1.604 -8.248 1.00 8.74 H new ATOM 0 HA ILE A 10 24.483 1.179 -6.789 1.00 7.86 H new ATOM 0 HB ILE A 10 25.250 -0.442 -5.031 1.00 7.25 H new ATOM 0 HG12 ILE A 10 27.489 0.815 -4.690 1.00 7.42 H new ATOM 0 HG13 ILE A 10 27.425 -0.928 -4.519 1.00 7.42 H new ATOM 0 HG21 ILE A 10 26.158 -2.081 -6.672 1.00 7.55 H new ATOM 0 HG22 ILE A 10 24.794 -1.155 -7.341 1.00 7.55 H new ATOM 0 HG23 ILE A 10 26.462 -0.748 -7.811 1.00 7.55 H new ATOM 0 HD11 ILE A 10 29.420 -0.241 -5.749 1.00 7.84 H new ATOM 0 HD12 ILE A 10 28.344 -1.199 -6.794 1.00 7.84 H new ATOM 0 HD13 ILE A 10 28.409 0.571 -6.968 1.00 7.84 H new ATOM 160 N ARG A 11 24.712 3.392 -5.319 1.00 8.07 N ATOM 161 CA ARG A 11 24.457 4.337 -4.249 1.00 7.96 C ATOM 162 C ARG A 11 23.089 4.994 -4.401 1.00 7.79 C ATOM 163 O ARG A 11 22.474 4.953 -5.469 1.00 8.29 O ATOM 164 CB ARG A 11 25.553 5.404 -4.192 1.00 9.08 C ATOM 165 CG ARG A 11 25.694 6.230 -5.456 1.00 9.98 C ATOM 166 CD ARG A 11 26.683 7.361 -5.245 1.00 10.66 C ATOM 167 NE ARG A 11 26.899 8.151 -6.455 1.00 11.50 N ATOM 168 CZ ARG A 11 27.302 9.420 -6.455 1.00 12.34 C ATOM 169 NH1 ARG A 11 27.544 10.048 -5.310 1.00 12.46 N ATOM 170 NH2 ARG A 11 27.474 10.060 -7.603 1.00 13.19 N ATOM 0 H ARG A 11 24.466 3.728 -6.250 1.00 8.07 H new ATOM 0 HA ARG A 11 24.463 3.780 -3.312 1.00 7.96 H new ATOM 0 HB2 ARG A 11 25.347 6.074 -3.357 1.00 9.08 H new ATOM 0 HB3 ARG A 11 26.506 4.917 -3.983 1.00 9.08 H new ATOM 0 HG2 ARG A 11 26.028 5.595 -6.277 1.00 9.98 H new ATOM 0 HG3 ARG A 11 24.724 6.636 -5.742 1.00 9.98 H new ATOM 0 HD2 ARG A 11 26.320 8.013 -4.450 1.00 10.66 H new ATOM 0 HD3 ARG A 11 27.635 6.949 -4.910 1.00 10.66 H new ATOM 0 HE ARG A 11 26.731 7.703 -7.356 1.00 11.50 H new ATOM 0 HH11 ARG A 11 27.421 9.558 -4.424 1.00 12.46 H new ATOM 0 HH12 ARG A 11 27.853 11.020 -5.317 1.00 12.46 H new ATOM 0 HH21 ARG A 11 27.298 9.580 -8.486 1.00 13.19 H new ATOM 0 HH22 ARG A 11 27.783 11.032 -7.604 1.00 13.19 H new ATOM 184 N GLN A 12 22.638 5.600 -3.316 1.00 7.29 N ATOM 185 CA GLN A 12 21.313 6.194 -3.240 1.00 7.16 C ATOM 186 C GLN A 12 21.379 7.692 -3.501 1.00 7.82 C ATOM 187 O GLN A 12 22.263 8.384 -2.991 1.00 8.10 O ATOM 188 CB GLN A 12 20.721 5.946 -1.850 1.00 6.33 C ATOM 189 CG GLN A 12 19.291 6.434 -1.682 1.00 6.44 C ATOM 190 CD GLN A 12 18.797 6.328 -0.249 1.00 6.33 C ATOM 191 OE1 GLN A 12 17.970 7.120 0.193 1.00 6.37 O ATOM 192 NE2 GLN A 12 19.303 5.352 0.492 1.00 6.60 N ATOM 0 H GLN A 12 23.183 5.695 -2.459 1.00 7.29 H new ATOM 0 HA GLN A 12 20.682 5.734 -4.000 1.00 7.16 H new ATOM 0 HB2 GLN A 12 20.755 4.877 -1.639 1.00 6.33 H new ATOM 0 HB3 GLN A 12 21.350 6.437 -1.107 1.00 6.33 H new ATOM 0 HG2 GLN A 12 19.226 7.472 -2.008 1.00 6.44 H new ATOM 0 HG3 GLN A 12 18.635 5.854 -2.331 1.00 6.44 H new ATOM 0 HE21 GLN A 12 19.989 4.711 0.092 1.00 6.60 H new ATOM 0 HE22 GLN A 12 19.007 5.242 1.462 1.00 6.60 H new ATOM 201 N GLY A 13 20.447 8.186 -4.298 1.00 8.30 N ATOM 202 CA GLY A 13 20.339 9.610 -4.521 1.00 9.01 C ATOM 203 C GLY A 13 19.186 10.202 -3.739 1.00 8.63 C ATOM 204 O GLY A 13 18.583 9.514 -2.918 1.00 7.84 O ATOM 0 H GLY A 13 19.759 7.622 -4.797 1.00 8.30 H new ATOM 0 HA2 GLY A 13 21.269 10.098 -4.228 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.198 9.804 -5.584 1.00 9.01 H new ATOM 208 N PRO A 14 18.841 11.474 -3.981 1.00 9.33 N ATOM 209 CA PRO A 14 17.784 12.162 -3.229 1.00 9.17 C ATOM 210 C PRO A 14 16.389 11.615 -3.524 1.00 8.90 C ATOM 211 O PRO A 14 15.463 11.797 -2.734 1.00 8.50 O ATOM 212 CB PRO A 14 17.897 13.614 -3.703 1.00 10.25 C ATOM 213 CG PRO A 14 18.523 13.527 -5.051 1.00 10.91 C ATOM 214 CD PRO A 14 19.450 12.345 -5.003 1.00 10.46 C ATOM 0 HA PRO A 14 17.911 12.033 -2.154 1.00 9.17 H new ATOM 0 HB2 PRO A 14 16.918 14.091 -3.752 1.00 10.25 H new ATOM 0 HB3 PRO A 14 18.507 14.206 -3.021 1.00 10.25 H new ATOM 0 HG2 PRO A 14 17.766 13.398 -5.825 1.00 10.91 H new ATOM 0 HG3 PRO A 14 19.068 14.441 -5.288 1.00 10.91 H new ATOM 0 HD2 PRO A 14 19.515 11.846 -5.970 1.00 10.46 H new ATOM 0 HD3 PRO A 14 20.463 12.640 -4.728 1.00 10.46 H new ATOM 222 N LYS A 15 16.244 10.943 -4.658 1.00 9.36 N ATOM 223 CA LYS A 15 14.941 10.449 -5.087 1.00 9.53 C ATOM 224 C LYS A 15 14.940 8.929 -5.218 1.00 9.20 C ATOM 225 O LYS A 15 13.978 8.341 -5.717 1.00 9.66 O ATOM 226 CB LYS A 15 14.562 11.093 -6.422 1.00 10.67 C ATOM 227 CG LYS A 15 15.536 10.771 -7.547 1.00 11.41 C ATOM 228 CD LYS A 15 15.258 11.591 -8.796 1.00 12.05 C ATOM 229 CE LYS A 15 13.893 11.280 -9.396 1.00 12.96 C ATOM 230 NZ LYS A 15 13.788 9.869 -9.859 1.00 13.55 N ATOM 0 H LYS A 15 17.010 10.727 -5.296 1.00 9.36 H new ATOM 0 HA LYS A 15 14.205 10.719 -4.329 1.00 9.53 H new ATOM 0 HB2 LYS A 15 13.565 10.759 -6.708 1.00 10.67 H new ATOM 0 HB3 LYS A 15 14.511 12.174 -6.294 1.00 10.67 H new ATOM 0 HG2 LYS A 15 16.555 10.960 -7.209 1.00 11.41 H new ATOM 0 HG3 LYS A 15 15.472 9.710 -7.789 1.00 11.41 H new ATOM 0 HD2 LYS A 15 15.313 12.652 -8.552 1.00 12.05 H new ATOM 0 HD3 LYS A 15 16.032 11.394 -9.538 1.00 12.05 H new ATOM 0 HE2 LYS A 15 13.119 11.475 -8.654 1.00 12.96 H new ATOM 0 HE3 LYS A 15 13.706 11.950 -10.235 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 12.922 9.752 -10.423 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 14.616 9.633 -10.443 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 13.753 9.235 -9.035 1.00 13.55 H new ATOM 244 N GLU A 16 16.014 8.299 -4.764 1.00 8.57 N ATOM 245 CA GLU A 16 16.165 6.857 -4.910 1.00 8.39 C ATOM 246 C GLU A 16 15.756 6.140 -3.624 1.00 7.72 C ATOM 247 O GLU A 16 16.282 6.436 -2.554 1.00 6.94 O ATOM 248 CB GLU A 16 17.615 6.510 -5.245 1.00 8.10 C ATOM 249 CG GLU A 16 17.769 5.175 -5.952 1.00 8.26 C ATOM 250 CD GLU A 16 17.281 5.222 -7.385 1.00 9.36 C ATOM 251 OE1 GLU A 16 18.128 5.268 -8.305 1.00 9.85 O ATOM 252 OE2 GLU A 16 16.053 5.225 -7.607 1.00 9.91 O ATOM 0 H GLU A 16 16.792 8.761 -4.293 1.00 8.57 H new ATOM 0 HA GLU A 16 15.516 6.528 -5.722 1.00 8.39 H new ATOM 0 HB2 GLU A 16 18.033 7.296 -5.874 1.00 8.10 H new ATOM 0 HB3 GLU A 16 18.199 6.495 -4.325 1.00 8.10 H new ATOM 0 HG2 GLU A 16 18.818 4.878 -5.938 1.00 8.26 H new ATOM 0 HG3 GLU A 16 17.214 4.412 -5.407 1.00 8.26 H new ATOM 259 N PRO A 17 14.806 5.198 -3.707 1.00 8.28 N ATOM 260 CA PRO A 17 14.396 4.393 -2.557 1.00 8.07 C ATOM 261 C PRO A 17 15.467 3.383 -2.137 1.00 7.31 C ATOM 262 O PRO A 17 16.224 2.891 -2.976 1.00 7.39 O ATOM 263 CB PRO A 17 13.137 3.657 -3.039 1.00 9.21 C ATOM 264 CG PRO A 17 12.766 4.295 -4.339 1.00 9.95 C ATOM 265 CD PRO A 17 14.036 4.857 -4.909 1.00 9.45 C ATOM 0 HA PRO A 17 14.226 5.018 -1.680 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.331 2.592 -3.167 1.00 9.21 H new ATOM 0 HB3 PRO A 17 12.329 3.748 -2.314 1.00 9.21 H new ATOM 0 HG2 PRO A 17 12.324 3.566 -5.018 1.00 9.95 H new ATOM 0 HG3 PRO A 17 12.026 5.081 -4.189 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.557 4.129 -5.531 1.00 9.45 H new ATOM 0 HD3 PRO A 17 13.848 5.732 -5.531 1.00 9.45 H new ATOM 273 N PHE A 18 15.528 3.081 -0.843 1.00 6.75 N ATOM 274 CA PHE A 18 16.534 2.162 -0.303 1.00 6.11 C ATOM 275 C PHE A 18 16.560 0.846 -1.077 1.00 6.56 C ATOM 276 O PHE A 18 17.562 0.504 -1.704 1.00 6.14 O ATOM 277 CB PHE A 18 16.254 1.889 1.179 1.00 6.14 C ATOM 278 CG PHE A 18 17.368 1.177 1.902 1.00 5.98 C ATOM 279 CD1 PHE A 18 17.291 -0.185 2.146 1.00 6.36 C ATOM 280 CD2 PHE A 18 18.494 1.866 2.323 1.00 5.83 C ATOM 281 CE1 PHE A 18 18.316 -0.846 2.796 1.00 6.55 C ATOM 282 CE2 PHE A 18 19.521 1.211 2.975 1.00 6.04 C ATOM 283 CZ PHE A 18 19.415 -0.124 3.260 1.00 6.38 C ATOM 0 H PHE A 18 14.890 3.460 -0.143 1.00 6.75 H new ATOM 0 HA PHE A 18 17.510 2.635 -0.408 1.00 6.11 H new ATOM 0 HB2 PHE A 18 16.060 2.837 1.680 1.00 6.14 H new ATOM 0 HB3 PHE A 18 15.345 1.293 1.261 1.00 6.14 H new ATOM 0 HD1 PHE A 18 16.420 -0.736 1.824 1.00 6.36 H new ATOM 0 HD2 PHE A 18 18.570 2.928 2.139 1.00 5.83 H new ATOM 0 HE1 PHE A 18 18.266 -1.915 2.944 1.00 6.55 H new ATOM 0 HE2 PHE A 18 20.410 1.754 3.261 1.00 6.04 H new ATOM 0 HZ PHE A 18 20.180 -0.616 3.842 1.00 6.38 H new ATOM 293 N ARG A 19 15.433 0.141 -1.071 1.00 7.57 N ATOM 294 CA ARG A 19 15.340 -1.192 -1.670 1.00 8.30 C ATOM 295 C ARG A 19 15.517 -1.159 -3.191 1.00 8.53 C ATOM 296 O ARG A 19 15.500 -2.202 -3.844 1.00 8.98 O ATOM 297 CB ARG A 19 13.996 -1.833 -1.326 1.00 9.53 C ATOM 298 CG ARG A 19 12.803 -1.038 -1.828 1.00 10.28 C ATOM 299 CD ARG A 19 11.496 -1.769 -1.577 1.00 11.35 C ATOM 300 NE ARG A 19 10.349 -1.007 -2.063 1.00 12.03 N ATOM 301 CZ ARG A 19 9.081 -1.330 -1.820 1.00 13.02 C ATOM 302 NH1 ARG A 19 8.792 -2.411 -1.105 1.00 13.43 N ATOM 303 NH2 ARG A 19 8.102 -0.577 -2.301 1.00 13.72 N ATOM 0 H ARG A 19 14.563 0.472 -0.655 1.00 7.57 H new ATOM 0 HA ARG A 19 16.153 -1.787 -1.253 1.00 8.30 H new ATOM 0 HB2 ARG A 19 13.960 -2.836 -1.752 1.00 9.53 H new ATOM 0 HB3 ARG A 19 13.921 -1.943 -0.244 1.00 9.53 H new ATOM 0 HG2 ARG A 19 12.778 -0.067 -1.333 1.00 10.28 H new ATOM 0 HG3 ARG A 19 12.915 -0.849 -2.896 1.00 10.28 H new ATOM 0 HD2 ARG A 19 11.522 -2.741 -2.070 1.00 11.35 H new ATOM 0 HD3 ARG A 19 11.383 -1.956 -0.509 1.00 11.35 H new ATOM 0 HE ARG A 19 10.531 -0.175 -2.624 1.00 12.03 H new ATOM 0 HH11 ARG A 19 9.543 -2.997 -0.740 1.00 13.43 H new ATOM 0 HH12 ARG A 19 7.819 -2.655 -0.921 1.00 13.43 H new ATOM 0 HH21 ARG A 19 8.321 0.250 -2.857 1.00 13.72 H new ATOM 0 HH22 ARG A 19 7.130 -0.824 -2.115 1.00 13.72 H new ATOM 317 N ASP A 20 15.679 0.031 -3.752 1.00 8.44 N ATOM 318 CA ASP A 20 15.876 0.169 -5.182 1.00 9.01 C ATOM 319 C ASP A 20 17.359 0.095 -5.501 1.00 8.27 C ATOM 320 O ASP A 20 17.789 -0.743 -6.286 1.00 8.68 O ATOM 321 CB ASP A 20 15.292 1.488 -5.686 1.00 9.59 C ATOM 322 CG ASP A 20 15.262 1.569 -7.198 1.00 10.55 C ATOM 323 OD1 ASP A 20 14.179 1.409 -7.788 1.00 11.24 O ATOM 324 OD2 ASP A 20 16.335 1.781 -7.806 1.00 10.78 O ATOM 0 H ASP A 20 15.677 0.911 -3.237 1.00 8.44 H new ATOM 0 HA ASP A 20 15.357 -0.645 -5.687 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.280 1.605 -5.299 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.881 2.316 -5.293 1.00 9.59 H new ATOM 329 N TYR A 21 18.151 0.947 -4.860 1.00 7.30 N ATOM 330 CA TYR A 21 19.586 0.957 -5.109 1.00 6.73 C ATOM 331 C TYR A 21 20.244 -0.250 -4.452 1.00 6.19 C ATOM 332 O TYR A 21 21.258 -0.753 -4.935 1.00 6.24 O ATOM 333 CB TYR A 21 20.228 2.263 -4.626 1.00 6.06 C ATOM 334 CG TYR A 21 20.684 2.266 -3.180 1.00 5.92 C ATOM 335 CD1 TYR A 21 19.788 2.544 -2.153 1.00 6.01 C ATOM 336 CD2 TYR A 21 21.998 1.980 -2.840 1.00 6.13 C ATOM 337 CE1 TYR A 21 20.189 2.538 -0.833 1.00 6.36 C ATOM 338 CE2 TYR A 21 22.407 1.973 -1.521 1.00 6.47 C ATOM 339 CZ TYR A 21 21.541 2.289 -0.534 1.00 6.60 C ATOM 340 OH TYR A 21 21.907 2.242 0.794 1.00 7.29 O ATOM 0 H TYR A 21 17.829 1.630 -4.174 1.00 7.30 H new ATOM 0 HA TYR A 21 19.744 0.895 -6.186 1.00 6.73 H new ATOM 0 HB2 TYR A 21 21.086 2.483 -5.261 1.00 6.06 H new ATOM 0 HB3 TYR A 21 19.513 3.073 -4.766 1.00 6.06 H new ATOM 0 HD1 TYR A 21 18.759 2.769 -2.393 1.00 6.01 H new ATOM 0 HD2 TYR A 21 22.713 1.759 -3.619 1.00 6.13 H new ATOM 0 HE1 TYR A 21 19.477 2.721 -0.042 1.00 6.36 H new ATOM 0 HE2 TYR A 21 23.426 1.713 -1.277 1.00 6.47 H new ATOM 0 HH TYR A 21 21.146 1.939 1.332 1.00 7.29 H new ATOM 350 N VAL A 22 19.649 -0.723 -3.359 1.00 5.96 N ATOM 351 CA VAL A 22 20.127 -1.928 -2.690 1.00 5.81 C ATOM 352 C VAL A 22 19.940 -3.128 -3.607 1.00 6.77 C ATOM 353 O VAL A 22 20.697 -4.095 -3.556 1.00 6.77 O ATOM 354 CB VAL A 22 19.396 -2.170 -1.347 1.00 5.93 C ATOM 355 CG1 VAL A 22 19.746 -3.529 -0.758 1.00 6.61 C ATOM 356 CG2 VAL A 22 19.742 -1.070 -0.356 1.00 5.41 C ATOM 0 H VAL A 22 18.837 -0.290 -2.919 1.00 5.96 H new ATOM 0 HA VAL A 22 21.185 -1.792 -2.468 1.00 5.81 H new ATOM 0 HB VAL A 22 18.324 -2.155 -1.544 1.00 5.93 H new ATOM 0 HG11 VAL A 22 19.215 -3.665 0.184 1.00 6.61 H new ATOM 0 HG12 VAL A 22 19.454 -4.314 -1.456 1.00 6.61 H new ATOM 0 HG13 VAL A 22 20.820 -3.583 -0.580 1.00 6.61 H new ATOM 0 HG21 VAL A 22 19.222 -1.251 0.585 1.00 5.41 H new ATOM 0 HG22 VAL A 22 20.818 -1.064 -0.181 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.435 -0.106 -0.761 1.00 5.41 H new ATOM 366 N ASP A 23 18.949 -3.029 -4.482 1.00 7.71 N ATOM 367 CA ASP A 23 18.710 -4.058 -5.484 1.00 8.82 C ATOM 368 C ASP A 23 19.913 -4.158 -6.408 1.00 8.87 C ATOM 369 O ASP A 23 20.401 -5.250 -6.709 1.00 9.30 O ATOM 370 CB ASP A 23 17.454 -3.738 -6.296 1.00 9.88 C ATOM 371 CG ASP A 23 17.366 -4.558 -7.568 1.00 11.09 C ATOM 372 OD1 ASP A 23 17.923 -4.125 -8.599 1.00 11.57 O ATOM 373 OD2 ASP A 23 16.750 -5.643 -7.539 1.00 11.68 O ATOM 0 H ASP A 23 18.297 -2.246 -4.518 1.00 7.71 H new ATOM 0 HA ASP A 23 18.559 -5.012 -4.979 1.00 8.82 H new ATOM 0 HB2 ASP A 23 16.571 -3.925 -5.684 1.00 9.88 H new ATOM 0 HB3 ASP A 23 17.448 -2.678 -6.549 1.00 9.88 H new ATOM 378 N ARG A 24 20.399 -2.998 -6.830 1.00 8.57 N ATOM 379 CA ARG A 24 21.575 -2.916 -7.676 1.00 8.91 C ATOM 380 C ARG A 24 22.782 -3.372 -6.885 1.00 8.10 C ATOM 381 O ARG A 24 23.541 -4.228 -7.324 1.00 8.53 O ATOM 382 CB ARG A 24 21.801 -1.478 -8.160 1.00 9.20 C ATOM 383 CG ARG A 24 20.844 -0.992 -9.244 1.00 9.35 C ATOM 384 CD ARG A 24 19.385 -1.070 -8.822 1.00 9.42 C ATOM 385 NE ARG A 24 18.516 -0.340 -9.741 1.00 10.13 N ATOM 386 CZ ARG A 24 17.337 -0.777 -10.181 1.00 10.62 C ATOM 387 NH1 ARG A 24 16.886 -1.979 -9.836 1.00 10.53 N ATOM 388 NH2 ARG A 24 16.612 -0.011 -10.987 1.00 11.36 N ATOM 0 H ARG A 24 19.989 -2.094 -6.595 1.00 8.57 H new ATOM 0 HA ARG A 24 21.427 -3.555 -8.547 1.00 8.91 H new ATOM 0 HB2 ARG A 24 21.722 -0.808 -7.304 1.00 9.20 H new ATOM 0 HB3 ARG A 24 22.821 -1.396 -8.536 1.00 9.20 H new ATOM 0 HG2 ARG A 24 21.088 0.039 -9.502 1.00 9.35 H new ATOM 0 HG3 ARG A 24 20.989 -1.589 -10.144 1.00 9.35 H new ATOM 0 HD2 ARG A 24 19.074 -2.114 -8.779 1.00 9.42 H new ATOM 0 HD3 ARG A 24 19.275 -0.663 -7.817 1.00 9.42 H new ATOM 0 HE ARG A 24 18.835 0.571 -10.070 1.00 10.13 H new ATOM 0 HH11 ARG A 24 17.444 -2.578 -9.228 1.00 10.53 H new ATOM 0 HH12 ARG A 24 15.982 -2.302 -10.179 1.00 10.53 H new ATOM 0 HH21 ARG A 24 16.958 0.907 -11.266 1.00 11.36 H new ATOM 0 HH22 ARG A 24 15.709 -0.340 -11.327 1.00 11.36 H new ATOM 402 N PHE A 25 22.905 -2.813 -5.692 1.00 7.02 N ATOM 403 CA PHE A 25 24.012 -3.085 -4.792 1.00 6.32 C ATOM 404 C PHE A 25 24.185 -4.579 -4.544 1.00 6.59 C ATOM 405 O PHE A 25 25.306 -5.066 -4.419 1.00 6.62 O ATOM 406 CB PHE A 25 23.755 -2.365 -3.468 1.00 5.33 C ATOM 407 CG PHE A 25 24.893 -2.442 -2.493 1.00 4.98 C ATOM 408 CD1 PHE A 25 25.895 -1.489 -2.508 1.00 4.85 C ATOM 409 CD2 PHE A 25 24.958 -3.463 -1.557 1.00 5.26 C ATOM 410 CE1 PHE A 25 26.940 -1.549 -1.610 1.00 4.99 C ATOM 411 CE2 PHE A 25 26.002 -3.529 -0.656 1.00 5.43 C ATOM 412 CZ PHE A 25 26.994 -2.572 -0.683 1.00 5.29 C ATOM 0 H PHE A 25 22.228 -2.148 -5.317 1.00 7.02 H new ATOM 0 HA PHE A 25 24.931 -2.723 -5.252 1.00 6.32 H new ATOM 0 HB2 PHE A 25 23.538 -1.317 -3.674 1.00 5.33 H new ATOM 0 HB3 PHE A 25 22.865 -2.789 -3.004 1.00 5.33 H new ATOM 0 HD1 PHE A 25 25.859 -0.688 -3.232 1.00 4.85 H new ATOM 0 HD2 PHE A 25 24.183 -4.215 -1.533 1.00 5.26 H new ATOM 0 HE1 PHE A 25 27.715 -0.797 -1.631 1.00 4.99 H new ATOM 0 HE2 PHE A 25 26.041 -4.329 0.069 1.00 5.43 H new ATOM 0 HZ PHE A 25 27.813 -2.622 0.020 1.00 5.29 H new ATOM 422 N TYR A 26 23.076 -5.305 -4.514 1.00 7.06 N ATOM 423 CA TYR A 26 23.100 -6.691 -4.108 1.00 7.60 C ATOM 424 C TYR A 26 23.385 -7.584 -5.298 1.00 8.54 C ATOM 425 O TYR A 26 24.190 -8.511 -5.215 1.00 8.87 O ATOM 426 CB TYR A 26 21.761 -7.067 -3.464 1.00 8.10 C ATOM 427 CG TYR A 26 21.700 -8.486 -2.943 1.00 8.84 C ATOM 428 CD1 TYR A 26 21.070 -9.489 -3.671 1.00 9.57 C ATOM 429 CD2 TYR A 26 22.270 -8.822 -1.723 1.00 9.04 C ATOM 430 CE1 TYR A 26 21.009 -10.785 -3.192 1.00 10.37 C ATOM 431 CE2 TYR A 26 22.214 -10.113 -1.239 1.00 9.88 C ATOM 432 CZ TYR A 26 21.583 -11.091 -1.977 1.00 10.50 C ATOM 433 OH TYR A 26 21.517 -12.380 -1.490 1.00 11.44 O ATOM 0 H TYR A 26 22.153 -4.952 -4.767 1.00 7.06 H new ATOM 0 HA TYR A 26 23.895 -6.832 -3.376 1.00 7.60 H new ATOM 0 HB2 TYR A 26 21.561 -6.381 -2.641 1.00 8.10 H new ATOM 0 HB3 TYR A 26 20.966 -6.926 -4.196 1.00 8.10 H new ATOM 0 HD1 TYR A 26 20.622 -9.253 -4.625 1.00 9.57 H new ATOM 0 HD2 TYR A 26 22.766 -8.059 -1.142 1.00 9.04 H new ATOM 0 HE1 TYR A 26 20.514 -11.553 -3.767 1.00 10.37 H new ATOM 0 HE2 TYR A 26 22.662 -10.356 -0.287 1.00 9.88 H new ATOM 0 HH TYR A 26 21.972 -12.426 -0.623 1.00 11.44 H new ATOM 443 N LYS A 27 22.747 -7.291 -6.420 1.00 9.08 N ATOM 444 CA LYS A 27 22.840 -8.165 -7.564 1.00 10.12 C ATOM 445 C LYS A 27 24.114 -7.903 -8.368 1.00 10.01 C ATOM 446 O LYS A 27 24.584 -8.772 -9.102 1.00 10.69 O ATOM 447 CB LYS A 27 21.564 -8.049 -8.394 1.00 10.87 C ATOM 448 CG LYS A 27 21.455 -6.844 -9.310 1.00 11.19 C ATOM 449 CD LYS A 27 20.147 -6.926 -10.082 1.00 12.15 C ATOM 450 CE LYS A 27 19.996 -5.830 -11.121 1.00 12.87 C ATOM 451 NZ LYS A 27 19.731 -4.505 -10.508 1.00 13.47 N ATOM 0 H LYS A 27 22.167 -6.463 -6.557 1.00 9.08 H new ATOM 0 HA LYS A 27 22.921 -9.199 -7.229 1.00 10.12 H new ATOM 0 HB2 LYS A 27 21.471 -8.949 -9.002 1.00 10.87 H new ATOM 0 HB3 LYS A 27 20.714 -8.036 -7.712 1.00 10.87 H new ATOM 0 HG2 LYS A 27 21.491 -5.924 -8.727 1.00 11.19 H new ATOM 0 HG3 LYS A 27 22.298 -6.818 -10.000 1.00 11.19 H new ATOM 0 HD2 LYS A 27 20.084 -7.896 -10.575 1.00 12.15 H new ATOM 0 HD3 LYS A 27 19.315 -6.870 -9.381 1.00 12.15 H new ATOM 0 HE2 LYS A 27 20.904 -5.775 -11.722 1.00 12.87 H new ATOM 0 HE3 LYS A 27 19.180 -6.084 -11.798 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 19.102 -3.955 -11.128 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 19.277 -4.636 -9.582 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 20.628 -3.994 -10.384 1.00 13.47 H new ATOM 465 N THR A 28 24.696 -6.722 -8.199 1.00 9.28 N ATOM 466 CA THR A 28 25.991 -6.431 -8.793 1.00 9.35 C ATOM 467 C THR A 28 27.101 -7.005 -7.920 1.00 8.90 C ATOM 468 O THR A 28 28.165 -7.383 -8.410 1.00 9.29 O ATOM 469 CB THR A 28 26.213 -4.919 -8.966 1.00 9.07 C ATOM 470 OG1 THR A 28 26.122 -4.263 -7.695 1.00 9.27 O ATOM 471 CG2 THR A 28 25.182 -4.336 -9.914 1.00 8.30 C ATOM 0 H THR A 28 24.294 -5.956 -7.659 1.00 9.28 H new ATOM 0 HA THR A 28 26.012 -6.893 -9.780 1.00 9.35 H new ATOM 0 HB THR A 28 27.207 -4.761 -9.385 1.00 9.07 H new ATOM 0 HG1 THR A 28 25.181 -4.098 -7.479 1.00 9.27 H new ATOM 0 HG21 THR A 28 25.354 -3.265 -10.025 1.00 8.30 H new ATOM 0 HG22 THR A 28 25.268 -4.820 -10.887 1.00 8.30 H new ATOM 0 HG23 THR A 28 24.183 -4.503 -9.512 1.00 8.30 H new ATOM 479 N LEU A 29 26.825 -7.078 -6.621 1.00 8.24 N ATOM 480 CA LEU A 29 27.752 -7.651 -5.652 1.00 8.03 C ATOM 481 C LEU A 29 27.999 -9.115 -5.995 1.00 8.87 C ATOM 482 O LEU A 29 29.108 -9.627 -5.863 1.00 9.09 O ATOM 483 CB LEU A 29 27.155 -7.516 -4.240 1.00 7.48 C ATOM 484 CG LEU A 29 28.142 -7.511 -3.062 1.00 7.10 C ATOM 485 CD1 LEU A 29 28.785 -8.875 -2.870 1.00 6.93 C ATOM 486 CD2 LEU A 29 29.201 -6.438 -3.261 1.00 6.99 C ATOM 0 H LEU A 29 25.953 -6.742 -6.212 1.00 8.24 H new ATOM 0 HA LEU A 29 28.704 -7.121 -5.683 1.00 8.03 H new ATOM 0 HB2 LEU A 29 26.579 -6.591 -4.203 1.00 7.48 H new ATOM 0 HB3 LEU A 29 26.452 -8.336 -4.090 1.00 7.48 H new ATOM 0 HG LEU A 29 27.581 -7.282 -2.156 1.00 7.10 H new ATOM 0 HD11 LEU A 29 29.477 -8.836 -2.029 1.00 6.93 H new ATOM 0 HD12 LEU A 29 28.012 -9.617 -2.669 1.00 6.93 H new ATOM 0 HD13 LEU A 29 29.328 -9.152 -3.774 1.00 6.93 H new ATOM 0 HD21 LEU A 29 29.892 -6.448 -2.418 1.00 6.99 H new ATOM 0 HD22 LEU A 29 29.750 -6.635 -4.182 1.00 6.99 H new ATOM 0 HD23 LEU A 29 28.722 -5.461 -3.326 1.00 6.99 H new ATOM 498 N ARG A 30 26.951 -9.771 -6.471 1.00 9.50 N ATOM 499 CA ARG A 30 27.024 -11.182 -6.820 1.00 10.45 C ATOM 500 C ARG A 30 27.708 -11.361 -8.172 1.00 10.98 C ATOM 501 O ARG A 30 28.209 -12.438 -8.489 1.00 11.61 O ATOM 502 CB ARG A 30 25.622 -11.794 -6.845 1.00 11.14 C ATOM 503 CG ARG A 30 24.875 -11.636 -5.531 1.00 11.16 C ATOM 504 CD ARG A 30 23.473 -12.219 -5.605 1.00 11.94 C ATOM 505 NE ARG A 30 23.482 -13.678 -5.681 1.00 12.66 N ATOM 506 CZ ARG A 30 22.474 -14.409 -6.156 1.00 13.44 C ATOM 507 NH1 ARG A 30 21.377 -13.820 -6.611 1.00 13.60 N ATOM 508 NH2 ARG A 30 22.566 -15.731 -6.166 1.00 14.19 N ATOM 0 H ARG A 30 26.036 -9.347 -6.625 1.00 9.50 H new ATOM 0 HA ARG A 30 27.615 -11.698 -6.064 1.00 10.45 H new ATOM 0 HB2 ARG A 30 25.043 -11.328 -7.642 1.00 11.14 H new ATOM 0 HB3 ARG A 30 25.700 -12.854 -7.086 1.00 11.14 H new ATOM 0 HG2 ARG A 30 25.432 -12.129 -4.735 1.00 11.16 H new ATOM 0 HG3 ARG A 30 24.816 -10.579 -5.271 1.00 11.16 H new ATOM 0 HD2 ARG A 30 22.905 -11.907 -4.728 1.00 11.94 H new ATOM 0 HD3 ARG A 30 22.960 -11.815 -6.478 1.00 11.94 H new ATOM 0 HE ARG A 30 24.313 -14.168 -5.349 1.00 12.66 H new ATOM 0 HH11 ARG A 30 21.302 -12.803 -6.599 1.00 13.60 H new ATOM 0 HH12 ARG A 30 20.608 -14.384 -6.974 1.00 13.60 H new ATOM 0 HH21 ARG A 30 23.407 -16.186 -5.811 1.00 14.19 H new ATOM 0 HH22 ARG A 30 21.796 -16.293 -6.529 1.00 14.19 H new ATOM 522 N ALA A 31 27.719 -10.294 -8.963 1.00 10.87 N ATOM 523 CA ALA A 31 28.347 -10.314 -10.277 1.00 11.56 C ATOM 524 C ALA A 31 29.864 -10.243 -10.151 1.00 11.34 C ATOM 525 O ALA A 31 30.594 -10.851 -10.937 1.00 11.93 O ATOM 526 CB ALA A 31 27.827 -9.168 -11.131 1.00 11.84 C ATOM 0 H ALA A 31 27.297 -9.399 -8.714 1.00 10.87 H new ATOM 0 HA ALA A 31 28.090 -11.254 -10.766 1.00 11.56 H new ATOM 0 HB1 ALA A 31 28.306 -9.197 -12.110 1.00 11.84 H new ATOM 0 HB2 ALA A 31 26.748 -9.265 -11.252 1.00 11.84 H new ATOM 0 HB3 ALA A 31 28.054 -8.219 -10.644 1.00 11.84 H new ATOM 532 N GLU A 32 30.337 -9.482 -9.171 1.00 10.61 N ATOM 533 CA GLU A 32 31.761 -9.418 -8.874 1.00 10.60 C ATOM 534 C GLU A 32 32.138 -10.532 -7.897 1.00 10.54 C ATOM 535 O GLU A 32 31.474 -11.568 -7.863 1.00 10.89 O ATOM 536 CB GLU A 32 32.136 -8.043 -8.314 1.00 10.22 C ATOM 537 CG GLU A 32 31.399 -7.667 -7.041 1.00 9.56 C ATOM 538 CD GLU A 32 31.815 -6.307 -6.520 1.00 9.48 C ATOM 539 OE1 GLU A 32 31.227 -5.296 -6.950 1.00 9.47 O ATOM 540 OE2 GLU A 32 32.718 -6.243 -5.661 1.00 9.62 O ATOM 0 H GLU A 32 29.754 -8.901 -8.569 1.00 10.61 H new ATOM 0 HA GLU A 32 32.322 -9.563 -9.797 1.00 10.60 H new ATOM 0 HB2 GLU A 32 33.208 -8.023 -8.119 1.00 10.22 H new ATOM 0 HB3 GLU A 32 31.936 -7.287 -9.073 1.00 10.22 H new ATOM 0 HG2 GLU A 32 30.326 -7.669 -7.231 1.00 9.56 H new ATOM 0 HG3 GLU A 32 31.589 -8.421 -6.277 1.00 9.56 H new ATOM 547 N GLN A 33 33.202 -10.335 -7.121 1.00 10.31 N ATOM 548 CA GLN A 33 33.619 -11.329 -6.139 1.00 10.45 C ATOM 549 C GLN A 33 32.518 -11.590 -5.118 1.00 10.39 C ATOM 550 O GLN A 33 32.270 -10.786 -4.222 1.00 10.09 O ATOM 551 CB GLN A 33 34.903 -10.894 -5.440 1.00 10.44 C ATOM 552 CG GLN A 33 36.115 -10.919 -6.350 1.00 10.76 C ATOM 553 CD GLN A 33 36.435 -12.313 -6.854 1.00 11.12 C ATOM 554 OE1 GLN A 33 37.193 -13.054 -6.229 1.00 11.23 O ATOM 555 NE2 GLN A 33 35.860 -12.686 -7.988 1.00 11.52 N ATOM 0 H GLN A 33 33.787 -9.500 -7.154 1.00 10.31 H new ATOM 0 HA GLN A 33 33.814 -12.260 -6.671 1.00 10.45 H new ATOM 0 HB2 GLN A 33 34.772 -9.886 -5.048 1.00 10.44 H new ATOM 0 HB3 GLN A 33 35.084 -11.547 -4.586 1.00 10.44 H new ATOM 0 HG2 GLN A 33 35.940 -10.260 -7.200 1.00 10.76 H new ATOM 0 HG3 GLN A 33 36.977 -10.524 -5.812 1.00 10.76 H new ATOM 0 HE21 GLN A 33 35.237 -12.045 -8.479 1.00 11.52 H new ATOM 0 HE22 GLN A 33 36.040 -13.614 -8.370 1.00 11.52 H new ATOM 564 N ALA A 34 31.877 -12.730 -5.279 1.00 10.90 N ATOM 565 CA ALA A 34 30.737 -13.123 -4.457 1.00 11.19 C ATOM 566 C ALA A 34 31.161 -13.551 -3.054 1.00 11.09 C ATOM 567 O ALA A 34 30.332 -13.602 -2.144 1.00 11.27 O ATOM 568 CB ALA A 34 29.962 -14.239 -5.143 1.00 11.97 C ATOM 0 H ALA A 34 32.130 -13.419 -5.988 1.00 10.90 H new ATOM 0 HA ALA A 34 30.093 -12.251 -4.346 1.00 11.19 H new ATOM 0 HB1 ALA A 34 29.113 -14.527 -4.523 1.00 11.97 H new ATOM 0 HB2 ALA A 34 29.603 -13.891 -6.111 1.00 11.97 H new ATOM 0 HB3 ALA A 34 30.615 -15.100 -5.287 1.00 11.97 H new ATOM 574 N SER A 35 32.439 -13.893 -2.900 1.00 11.05 N ATOM 575 CA SER A 35 32.987 -14.332 -1.618 1.00 11.21 C ATOM 576 C SER A 35 32.606 -13.364 -0.493 1.00 10.64 C ATOM 577 O SER A 35 33.127 -12.248 -0.405 1.00 10.19 O ATOM 578 CB SER A 35 34.505 -14.452 -1.723 1.00 11.48 C ATOM 579 OG SER A 35 34.872 -15.222 -2.856 1.00 12.02 O ATOM 0 H SER A 35 33.122 -13.874 -3.658 1.00 11.05 H new ATOM 0 HA SER A 35 32.563 -15.307 -1.376 1.00 11.21 H new ATOM 0 HB2 SER A 35 34.949 -13.459 -1.793 1.00 11.48 H new ATOM 0 HB3 SER A 35 34.901 -14.915 -0.819 1.00 11.48 H new ATOM 0 HG SER A 35 35.849 -15.285 -2.906 1.00 12.02 H new ATOM 585 N GLN A 36 31.716 -13.820 0.377 1.00 10.85 N ATOM 586 CA GLN A 36 31.104 -12.980 1.399 1.00 10.51 C ATOM 587 C GLN A 36 32.085 -12.592 2.496 1.00 10.66 C ATOM 588 O GLN A 36 31.903 -11.573 3.155 1.00 10.26 O ATOM 589 CB GLN A 36 29.921 -13.704 2.027 1.00 11.11 C ATOM 590 CG GLN A 36 28.790 -13.989 1.058 1.00 11.25 C ATOM 591 CD GLN A 36 27.667 -14.765 1.707 1.00 11.80 C ATOM 592 OE1 GLN A 36 27.418 -14.634 2.907 1.00 12.14 O ATOM 593 NE2 GLN A 36 26.999 -15.597 0.931 1.00 12.09 N ATOM 0 H GLN A 36 31.396 -14.788 0.394 1.00 10.85 H new ATOM 0 HA GLN A 36 30.775 -12.067 0.904 1.00 10.51 H new ATOM 0 HB2 GLN A 36 30.268 -14.646 2.452 1.00 11.11 H new ATOM 0 HB3 GLN A 36 29.537 -13.104 2.852 1.00 11.11 H new ATOM 0 HG2 GLN A 36 28.402 -13.048 0.668 1.00 11.25 H new ATOM 0 HG3 GLN A 36 29.175 -14.552 0.208 1.00 11.25 H new ATOM 0 HE21 GLN A 36 27.237 -15.675 -0.058 1.00 12.09 H new ATOM 0 HE22 GLN A 36 26.244 -16.162 1.320 1.00 12.09 H new ATOM 602 N GLU A 37 33.111 -13.407 2.687 1.00 11.37 N ATOM 603 CA GLU A 37 34.088 -13.190 3.756 1.00 11.85 C ATOM 604 C GLU A 37 34.611 -11.750 3.784 1.00 11.40 C ATOM 605 O GLU A 37 34.692 -11.132 4.847 1.00 11.56 O ATOM 606 CB GLU A 37 35.247 -14.182 3.622 1.00 12.76 C ATOM 607 CG GLU A 37 35.844 -14.244 2.226 1.00 12.82 C ATOM 608 CD GLU A 37 37.007 -15.204 2.135 1.00 13.79 C ATOM 609 OE1 GLU A 37 36.771 -16.406 1.891 1.00 14.44 O ATOM 610 OE2 GLU A 37 38.162 -14.765 2.309 1.00 13.98 O ATOM 0 H GLU A 37 33.294 -14.231 2.114 1.00 11.37 H new ATOM 0 HA GLU A 37 33.577 -13.361 4.704 1.00 11.85 H new ATOM 0 HB2 GLU A 37 36.030 -13.909 4.330 1.00 12.76 H new ATOM 0 HB3 GLU A 37 34.897 -15.176 3.901 1.00 12.76 H new ATOM 0 HG2 GLU A 37 35.072 -14.545 1.518 1.00 12.82 H new ATOM 0 HG3 GLU A 37 36.175 -13.248 1.932 1.00 12.82 H new ATOM 617 N VAL A 38 34.953 -11.221 2.622 1.00 11.01 N ATOM 618 CA VAL A 38 35.412 -9.843 2.518 1.00 10.78 C ATOM 619 C VAL A 38 34.225 -8.899 2.351 1.00 9.91 C ATOM 620 O VAL A 38 34.199 -7.797 2.901 1.00 9.82 O ATOM 621 CB VAL A 38 36.385 -9.665 1.330 1.00 10.99 C ATOM 622 CG1 VAL A 38 36.858 -8.224 1.222 1.00 11.05 C ATOM 623 CG2 VAL A 38 37.571 -10.606 1.467 1.00 11.61 C ATOM 0 H VAL A 38 34.922 -11.724 1.735 1.00 11.01 H new ATOM 0 HA VAL A 38 35.942 -9.600 3.439 1.00 10.78 H new ATOM 0 HB VAL A 38 35.848 -9.913 0.414 1.00 10.99 H new ATOM 0 HG11 VAL A 38 37.541 -8.128 0.378 1.00 11.05 H new ATOM 0 HG12 VAL A 38 36.000 -7.570 1.071 1.00 11.05 H new ATOM 0 HG13 VAL A 38 37.373 -7.940 2.140 1.00 11.05 H new ATOM 0 HG21 VAL A 38 38.245 -10.467 0.622 1.00 11.61 H new ATOM 0 HG22 VAL A 38 38.102 -10.390 2.394 1.00 11.61 H new ATOM 0 HG23 VAL A 38 37.218 -11.637 1.483 1.00 11.61 H new ATOM 633 N LYS A 39 33.226 -9.368 1.621 1.00 9.40 N ATOM 634 CA LYS A 39 32.118 -8.525 1.201 1.00 8.62 C ATOM 635 C LYS A 39 31.189 -8.159 2.351 1.00 8.49 C ATOM 636 O LYS A 39 30.706 -7.035 2.414 1.00 8.00 O ATOM 637 CB LYS A 39 31.340 -9.214 0.085 1.00 8.48 C ATOM 638 CG LYS A 39 32.116 -9.296 -1.217 1.00 8.87 C ATOM 639 CD LYS A 39 32.289 -7.918 -1.835 1.00 8.96 C ATOM 640 CE LYS A 39 33.061 -7.974 -3.142 1.00 9.53 C ATOM 641 NZ LYS A 39 34.478 -8.371 -2.938 1.00 9.78 N ATOM 0 H LYS A 39 33.160 -10.336 1.305 1.00 9.40 H new ATOM 0 HA LYS A 39 32.541 -7.591 0.832 1.00 8.62 H new ATOM 0 HB2 LYS A 39 31.071 -10.221 0.405 1.00 8.48 H new ATOM 0 HB3 LYS A 39 30.408 -8.675 -0.087 1.00 8.48 H new ATOM 0 HG2 LYS A 39 33.094 -9.742 -1.034 1.00 8.87 H new ATOM 0 HG3 LYS A 39 31.593 -9.949 -1.916 1.00 8.87 H new ATOM 0 HD2 LYS A 39 31.309 -7.474 -2.011 1.00 8.96 H new ATOM 0 HD3 LYS A 39 32.812 -7.269 -1.133 1.00 8.96 H new ATOM 0 HE2 LYS A 39 32.580 -8.682 -3.816 1.00 9.53 H new ATOM 0 HE3 LYS A 39 33.025 -6.998 -3.626 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 35.029 -8.139 -3.789 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 34.868 -7.858 -2.122 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 34.530 -9.394 -2.760 1.00 9.78 H new ATOM 655 N ASN A 40 30.937 -9.092 3.258 1.00 9.12 N ATOM 656 CA ASN A 40 30.034 -8.834 4.378 1.00 9.38 C ATOM 657 C ASN A 40 30.565 -7.703 5.246 1.00 9.55 C ATOM 658 O ASN A 40 29.839 -6.759 5.557 1.00 9.39 O ATOM 659 CB ASN A 40 29.829 -10.090 5.233 1.00 10.35 C ATOM 660 CG ASN A 40 28.964 -11.133 4.555 1.00 10.85 C ATOM 661 OD1 ASN A 40 28.103 -10.813 3.733 1.00 10.92 O ATOM 662 ND2 ASN A 40 29.181 -12.392 4.898 1.00 11.43 N ATOM 0 H ASN A 40 31.340 -10.029 3.244 1.00 9.12 H new ATOM 0 HA ASN A 40 29.071 -8.542 3.960 1.00 9.38 H new ATOM 0 HB2 ASN A 40 30.800 -10.527 5.466 1.00 10.35 H new ATOM 0 HB3 ASN A 40 29.371 -9.807 6.181 1.00 10.35 H new ATOM 0 HD21 ASN A 40 28.626 -13.138 4.478 1.00 11.43 H new ATOM 0 HD22 ASN A 40 29.903 -12.617 5.582 1.00 11.43 H new ATOM 669 N ALA A 41 31.842 -7.789 5.602 1.00 10.04 N ATOM 670 CA ALA A 41 32.480 -6.774 6.431 1.00 10.52 C ATOM 671 C ALA A 41 32.451 -5.413 5.749 1.00 9.85 C ATOM 672 O ALA A 41 32.376 -4.375 6.408 1.00 10.08 O ATOM 673 CB ALA A 41 33.913 -7.174 6.750 1.00 11.43 C ATOM 0 H ALA A 41 32.458 -8.555 5.328 1.00 10.04 H new ATOM 0 HA ALA A 41 31.920 -6.698 7.363 1.00 10.52 H new ATOM 0 HB1 ALA A 41 34.376 -6.406 7.370 1.00 11.43 H new ATOM 0 HB2 ALA A 41 33.915 -8.123 7.286 1.00 11.43 H new ATOM 0 HB3 ALA A 41 34.476 -7.280 5.823 1.00 11.43 H new ATOM 679 N ALA A 42 32.511 -5.419 4.427 1.00 9.19 N ATOM 680 CA ALA A 42 32.459 -4.185 3.665 1.00 8.71 C ATOM 681 C ALA A 42 31.029 -3.666 3.559 1.00 7.86 C ATOM 682 O ALA A 42 30.720 -2.585 4.054 1.00 7.82 O ATOM 683 CB ALA A 42 33.048 -4.400 2.280 1.00 8.58 C ATOM 0 H ALA A 42 32.596 -6.264 3.862 1.00 9.19 H new ATOM 0 HA ALA A 42 33.051 -3.435 4.189 1.00 8.71 H new ATOM 0 HB1 ALA A 42 33.004 -3.468 1.717 1.00 8.58 H new ATOM 0 HB2 ALA A 42 34.086 -4.720 2.372 1.00 8.58 H new ATOM 0 HB3 ALA A 42 32.477 -5.167 1.757 1.00 8.58 H new ATOM 689 N THR A 43 30.165 -4.471 2.949 1.00 7.35 N ATOM 690 CA THR A 43 28.794 -4.083 2.618 1.00 6.63 C ATOM 691 C THR A 43 28.029 -3.477 3.795 1.00 6.87 C ATOM 692 O THR A 43 27.263 -2.536 3.605 1.00 6.42 O ATOM 693 CB THR A 43 27.997 -5.284 2.068 1.00 6.60 C ATOM 694 OG1 THR A 43 28.138 -6.410 2.944 1.00 6.93 O ATOM 695 CG2 THR A 43 28.473 -5.662 0.671 1.00 6.92 C ATOM 0 H THR A 43 30.398 -5.423 2.666 1.00 7.35 H new ATOM 0 HA THR A 43 28.889 -3.311 1.855 1.00 6.63 H new ATOM 0 HB THR A 43 26.947 -4.995 2.011 1.00 6.60 H new ATOM 0 HG1 THR A 43 28.953 -6.903 2.714 1.00 6.93 H new ATOM 0 HG21 THR A 43 27.895 -6.511 0.307 1.00 6.92 H new ATOM 0 HG22 THR A 43 28.337 -4.815 -0.001 1.00 6.92 H new ATOM 0 HG23 THR A 43 29.529 -5.931 0.707 1.00 6.92 H new ATOM 703 N GLU A 44 28.232 -4.007 4.997 1.00 7.76 N ATOM 704 CA GLU A 44 27.520 -3.517 6.177 1.00 8.32 C ATOM 705 C GLU A 44 27.651 -2.002 6.326 1.00 8.48 C ATOM 706 O GLU A 44 26.650 -1.283 6.341 1.00 8.35 O ATOM 707 CB GLU A 44 28.022 -4.217 7.436 1.00 9.53 C ATOM 708 CG GLU A 44 27.596 -5.671 7.532 1.00 10.03 C ATOM 709 CD GLU A 44 26.091 -5.835 7.488 1.00 11.07 C ATOM 710 OE1 GLU A 44 25.441 -5.692 8.545 1.00 11.69 O ATOM 711 OE2 GLU A 44 25.547 -6.121 6.401 1.00 11.42 O ATOM 0 H GLU A 44 28.880 -4.773 5.182 1.00 7.76 H new ATOM 0 HA GLU A 44 26.464 -3.749 6.041 1.00 8.32 H new ATOM 0 HB2 GLU A 44 29.110 -4.163 7.462 1.00 9.53 H new ATOM 0 HB3 GLU A 44 27.655 -3.681 8.311 1.00 9.53 H new ATOM 0 HG2 GLU A 44 28.044 -6.233 6.713 1.00 10.03 H new ATOM 0 HG3 GLU A 44 27.979 -6.099 8.459 1.00 10.03 H new ATOM 718 N THR A 45 28.880 -1.516 6.418 1.00 8.95 N ATOM 719 CA THR A 45 29.122 -0.084 6.543 1.00 9.49 C ATOM 720 C THR A 45 29.145 0.610 5.180 1.00 8.79 C ATOM 721 O THR A 45 28.788 1.778 5.060 1.00 9.04 O ATOM 722 CB THR A 45 30.441 0.189 7.286 1.00 10.61 C ATOM 723 OG1 THR A 45 31.412 -0.806 6.934 1.00 11.34 O ATOM 724 CG2 THR A 45 30.225 0.190 8.791 1.00 11.01 C ATOM 0 H THR A 45 29.724 -2.089 6.409 1.00 8.95 H new ATOM 0 HA THR A 45 28.295 0.327 7.121 1.00 9.49 H new ATOM 0 HB THR A 45 30.805 1.173 6.991 1.00 10.61 H new ATOM 0 HG1 THR A 45 32.251 -0.627 7.408 1.00 11.34 H new ATOM 0 HG21 THR A 45 31.172 0.385 9.294 1.00 11.01 H new ATOM 0 HG22 THR A 45 29.507 0.966 9.055 1.00 11.01 H new ATOM 0 HG23 THR A 45 29.841 -0.781 9.104 1.00 11.01 H new ATOM 732 N LEU A 46 29.546 -0.122 4.155 1.00 8.07 N ATOM 733 CA LEU A 46 29.687 0.436 2.817 1.00 7.71 C ATOM 734 C LEU A 46 28.320 0.816 2.239 1.00 6.77 C ATOM 735 O LEU A 46 28.192 1.828 1.556 1.00 6.93 O ATOM 736 CB LEU A 46 30.429 -0.575 1.924 1.00 7.55 C ATOM 737 CG LEU A 46 30.922 -0.083 0.556 1.00 7.70 C ATOM 738 CD1 LEU A 46 29.826 -0.203 -0.485 1.00 7.76 C ATOM 739 CD2 LEU A 46 31.429 1.351 0.641 1.00 8.22 C ATOM 0 H LEU A 46 29.782 -1.112 4.223 1.00 8.07 H new ATOM 0 HA LEU A 46 30.274 1.353 2.862 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.291 -0.945 2.479 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.768 -1.426 1.757 1.00 7.55 H new ATOM 0 HG LEU A 46 31.754 -0.717 0.251 1.00 7.70 H new ATOM 0 HD11 LEU A 46 30.197 0.151 -1.447 1.00 7.76 H new ATOM 0 HD12 LEU A 46 29.522 -1.246 -0.575 1.00 7.76 H new ATOM 0 HD13 LEU A 46 28.969 0.399 -0.183 1.00 7.76 H new ATOM 0 HD21 LEU A 46 31.772 1.674 -0.342 1.00 8.22 H new ATOM 0 HD22 LEU A 46 30.622 2.003 0.976 1.00 8.22 H new ATOM 0 HD23 LEU A 46 32.256 1.403 1.349 1.00 8.22 H new ATOM 751 N LEU A 47 27.295 0.026 2.547 1.00 5.99 N ATOM 752 CA LEU A 47 25.953 0.278 2.025 1.00 5.15 C ATOM 753 C LEU A 47 25.382 1.585 2.571 1.00 5.48 C ATOM 754 O LEU A 47 24.820 2.383 1.822 1.00 5.21 O ATOM 755 CB LEU A 47 25.015 -0.886 2.365 1.00 4.73 C ATOM 756 CG LEU A 47 23.596 -0.774 1.797 1.00 4.22 C ATOM 757 CD1 LEU A 47 23.628 -0.750 0.273 1.00 4.20 C ATOM 758 CD2 LEU A 47 22.732 -1.923 2.294 1.00 4.34 C ATOM 0 H LEU A 47 27.366 -0.791 3.153 1.00 5.99 H new ATOM 0 HA LEU A 47 26.031 0.366 0.941 1.00 5.15 H new ATOM 0 HB2 LEU A 47 25.463 -1.810 1.999 1.00 4.73 H new ATOM 0 HB3 LEU A 47 24.948 -0.972 3.450 1.00 4.73 H new ATOM 0 HG LEU A 47 23.160 0.162 2.145 1.00 4.22 H new ATOM 0 HD11 LEU A 47 22.611 -0.670 -0.111 1.00 4.20 H new ATOM 0 HD12 LEU A 47 24.212 0.106 -0.065 1.00 4.20 H new ATOM 0 HD13 LEU A 47 24.084 -1.669 -0.096 1.00 4.20 H new ATOM 0 HD21 LEU A 47 21.728 -1.828 1.881 1.00 4.34 H new ATOM 0 HD22 LEU A 47 23.167 -2.870 1.975 1.00 4.34 H new ATOM 0 HD23 LEU A 47 22.681 -1.895 3.382 1.00 4.34 H new ATOM 770 N VAL A 48 25.540 1.809 3.875 1.00 6.32 N ATOM 771 CA VAL A 48 25.013 3.019 4.498 1.00 6.92 C ATOM 772 C VAL A 48 25.820 4.242 4.074 1.00 7.62 C ATOM 773 O VAL A 48 25.298 5.355 4.018 1.00 7.93 O ATOM 774 CB VAL A 48 24.980 2.923 6.040 1.00 7.91 C ATOM 775 CG1 VAL A 48 24.070 1.789 6.482 1.00 7.84 C ATOM 776 CG2 VAL A 48 26.375 2.743 6.623 1.00 8.67 C ATOM 0 H VAL A 48 26.023 1.176 4.513 1.00 6.32 H new ATOM 0 HA VAL A 48 23.985 3.125 4.151 1.00 6.92 H new ATOM 0 HB VAL A 48 24.583 3.864 6.420 1.00 7.91 H new ATOM 0 HG11 VAL A 48 24.058 1.735 7.571 1.00 7.84 H new ATOM 0 HG12 VAL A 48 23.059 1.970 6.117 1.00 7.84 H new ATOM 0 HG13 VAL A 48 24.439 0.847 6.076 1.00 7.84 H new ATOM 0 HG21 VAL A 48 26.310 2.680 7.709 1.00 8.67 H new ATOM 0 HG22 VAL A 48 26.817 1.827 6.232 1.00 8.67 H new ATOM 0 HG23 VAL A 48 26.998 3.594 6.346 1.00 8.67 H new ATOM 786 N GLN A 49 27.090 4.024 3.764 1.00 8.03 N ATOM 787 CA GLN A 49 27.945 5.083 3.243 1.00 8.97 C ATOM 788 C GLN A 49 27.545 5.445 1.816 1.00 8.65 C ATOM 789 O GLN A 49 27.835 6.541 1.334 1.00 9.36 O ATOM 790 CB GLN A 49 29.414 4.660 3.285 1.00 9.65 C ATOM 791 CG GLN A 49 29.985 4.587 4.695 1.00 10.72 C ATOM 792 CD GLN A 49 31.446 4.173 4.720 1.00 11.48 C ATOM 793 OE1 GLN A 49 32.201 4.579 5.604 1.00 11.55 O ATOM 794 NE2 GLN A 49 31.855 3.365 3.757 1.00 12.22 N ATOM 0 H GLN A 49 27.553 3.121 3.864 1.00 8.03 H new ATOM 0 HA GLN A 49 27.817 5.962 3.875 1.00 8.97 H new ATOM 0 HB2 GLN A 49 29.517 3.685 2.809 1.00 9.65 H new ATOM 0 HB3 GLN A 49 30.004 5.365 2.699 1.00 9.65 H new ATOM 0 HG2 GLN A 49 29.880 5.560 5.175 1.00 10.72 H new ATOM 0 HG3 GLN A 49 29.401 3.878 5.282 1.00 10.72 H new ATOM 0 HE21 GLN A 49 31.199 3.050 3.042 1.00 12.22 H new ATOM 0 HE22 GLN A 49 32.827 3.056 3.729 1.00 12.22 H new ATOM 803 N ASN A 50 26.865 4.522 1.151 1.00 7.73 N ATOM 804 CA ASN A 50 26.411 4.737 -0.218 1.00 7.72 C ATOM 805 C ASN A 50 24.972 5.228 -0.254 1.00 7.17 C ATOM 806 O ASN A 50 24.298 5.110 -1.274 1.00 7.27 O ATOM 807 CB ASN A 50 26.535 3.452 -1.046 1.00 7.34 C ATOM 808 CG ASN A 50 27.955 3.169 -1.500 1.00 7.66 C ATOM 809 OD1 ASN A 50 28.923 3.574 -0.855 1.00 8.30 O ATOM 810 ND2 ASN A 50 28.085 2.470 -2.617 1.00 7.49 N ATOM 0 H ASN A 50 26.614 3.612 1.538 1.00 7.73 H new ATOM 0 HA ASN A 50 27.052 5.504 -0.652 1.00 7.72 H new ATOM 0 HB2 ASN A 50 26.175 2.610 -0.455 1.00 7.34 H new ATOM 0 HB3 ASN A 50 25.889 3.527 -1.921 1.00 7.34 H new ATOM 0 HD21 ASN A 50 29.014 2.248 -2.974 1.00 7.49 H new ATOM 0 HD22 ASN A 50 27.256 2.154 -3.120 1.00 7.49 H new ATOM 817 N ALA A 51 24.486 5.779 0.848 1.00 6.83 N ATOM 818 CA ALA A 51 23.140 6.319 0.864 1.00 6.42 C ATOM 819 C ALA A 51 23.175 7.808 0.543 1.00 7.39 C ATOM 820 O ALA A 51 24.243 8.368 0.299 1.00 8.36 O ATOM 821 CB ALA A 51 22.467 6.060 2.205 1.00 5.86 C ATOM 0 H ALA A 51 24.995 5.862 1.728 1.00 6.83 H new ATOM 0 HA ALA A 51 22.549 5.814 0.099 1.00 6.42 H new ATOM 0 HB1 ALA A 51 21.459 6.474 2.192 1.00 5.86 H new ATOM 0 HB2 ALA A 51 22.416 4.986 2.385 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.044 6.534 2.999 1.00 5.86 H new ATOM 827 N ASN A 52 22.017 8.446 0.532 1.00 7.23 N ATOM 828 CA ASN A 52 21.940 9.879 0.273 1.00 8.14 C ATOM 829 C ASN A 52 22.384 10.646 1.510 1.00 8.57 C ATOM 830 O ASN A 52 22.075 10.224 2.618 1.00 8.09 O ATOM 831 CB ASN A 52 20.510 10.277 -0.118 1.00 7.94 C ATOM 832 CG ASN A 52 20.307 11.782 -0.173 1.00 8.81 C ATOM 833 OD1 ASN A 52 19.936 12.408 0.822 1.00 9.40 O ATOM 834 ND2 ASN A 52 20.557 12.378 -1.327 1.00 9.07 N ATOM 0 H ASN A 52 21.116 7.997 0.699 1.00 7.23 H new ATOM 0 HA ASN A 52 22.602 10.126 -0.557 1.00 8.14 H new ATOM 0 HB2 ASN A 52 20.273 9.848 -1.092 1.00 7.94 H new ATOM 0 HB3 ASN A 52 19.810 9.847 0.599 1.00 7.94 H new ATOM 0 HD21 ASN A 52 20.444 13.388 -1.414 1.00 9.07 H new ATOM 0 HD22 ASN A 52 20.862 11.828 -2.130 1.00 9.07 H new ATOM 841 N PRO A 53 23.146 11.745 1.345 1.00 9.68 N ATOM 842 CA PRO A 53 23.637 12.560 2.464 1.00 10.41 C ATOM 843 C PRO A 53 22.610 12.724 3.587 1.00 10.13 C ATOM 844 O PRO A 53 22.891 12.411 4.747 1.00 10.29 O ATOM 845 CB PRO A 53 23.923 13.900 1.796 1.00 11.56 C ATOM 846 CG PRO A 53 24.344 13.546 0.410 1.00 11.66 C ATOM 847 CD PRO A 53 23.615 12.274 0.047 1.00 10.51 C ATOM 0 HA PRO A 53 24.498 12.106 2.955 1.00 10.41 H new ATOM 0 HB2 PRO A 53 23.039 14.537 1.791 1.00 11.56 H new ATOM 0 HB3 PRO A 53 24.707 14.446 2.321 1.00 11.56 H new ATOM 0 HG2 PRO A 53 24.095 14.347 -0.286 1.00 11.66 H new ATOM 0 HG3 PRO A 53 25.423 13.402 0.358 1.00 11.66 H new ATOM 0 HD2 PRO A 53 22.782 12.471 -0.628 1.00 10.51 H new ATOM 0 HD3 PRO A 53 24.274 11.567 -0.457 1.00 10.51 H new ATOM 855 N ASP A 54 21.409 13.168 3.233 1.00 9.86 N ATOM 856 CA ASP A 54 20.359 13.422 4.218 1.00 9.76 C ATOM 857 C ASP A 54 19.862 12.111 4.816 1.00 8.93 C ATOM 858 O ASP A 54 19.599 12.014 6.015 1.00 9.26 O ATOM 859 CB ASP A 54 19.189 14.160 3.571 1.00 9.71 C ATOM 860 CG ASP A 54 18.369 14.946 4.576 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.544 16.175 4.674 1.00 10.64 O ATOM 862 OD2 ASP A 54 17.538 14.328 5.274 1.00 9.67 O ATOM 0 H ASP A 54 21.136 13.360 2.269 1.00 9.86 H new ATOM 0 HA ASP A 54 20.779 14.041 5.011 1.00 9.76 H new ATOM 0 HB2 ASP A 54 19.570 14.839 2.808 1.00 9.71 H new ATOM 0 HB3 ASP A 54 18.545 13.440 3.065 1.00 9.71 H new ATOM 867 N CYS A 55 19.753 11.104 3.965 1.00 8.04 N ATOM 868 CA CYS A 55 19.310 9.780 4.383 1.00 7.30 C ATOM 869 C CYS A 55 20.306 9.158 5.361 1.00 7.57 C ATOM 870 O CYS A 55 19.916 8.595 6.370 1.00 7.74 O ATOM 871 CB CYS A 55 19.114 8.874 3.168 1.00 6.46 C ATOM 872 SG CYS A 55 17.903 9.493 1.976 1.00 6.30 S ATOM 0 H CYS A 55 19.967 11.178 2.970 1.00 8.04 H new ATOM 0 HA CYS A 55 18.353 9.886 4.894 1.00 7.30 H new ATOM 0 HB2 CYS A 55 20.072 8.747 2.664 1.00 6.46 H new ATOM 0 HB3 CYS A 55 18.800 7.888 3.510 1.00 6.46 H new ATOM 0 HG CYS A 55 17.635 8.564 1.107 1.00 6.30 H new ATOM 878 N LYS A 56 21.594 9.276 5.064 1.00 7.87 N ATOM 879 CA LYS A 56 22.635 8.802 5.976 1.00 8.36 C ATOM 880 C LYS A 56 22.529 9.547 7.293 1.00 9.50 C ATOM 881 O LYS A 56 22.697 8.975 8.368 1.00 10.04 O ATOM 882 CB LYS A 56 24.017 9.036 5.373 1.00 8.58 C ATOM 883 CG LYS A 56 24.223 8.358 4.041 1.00 8.84 C ATOM 884 CD LYS A 56 25.241 9.094 3.190 1.00 8.68 C ATOM 885 CE LYS A 56 26.656 8.992 3.747 1.00 9.50 C ATOM 886 NZ LYS A 56 26.930 9.991 4.815 1.00 9.81 N ATOM 0 H LYS A 56 21.945 9.694 4.202 1.00 7.87 H new ATOM 0 HA LYS A 56 22.498 7.733 6.142 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.174 10.108 5.253 1.00 8.58 H new ATOM 0 HB3 LYS A 56 24.773 8.680 6.072 1.00 8.58 H new ATOM 0 HG2 LYS A 56 24.556 7.333 4.202 1.00 8.84 H new ATOM 0 HG3 LYS A 56 23.273 8.305 3.509 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.223 8.689 2.178 1.00 8.68 H new ATOM 0 HD3 LYS A 56 24.958 10.144 3.119 1.00 8.68 H new ATOM 0 HE2 LYS A 56 26.813 7.989 4.145 1.00 9.50 H new ATOM 0 HE3 LYS A 56 27.371 9.129 2.936 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 27.932 10.266 4.784 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 26.335 10.831 4.665 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 26.714 9.575 5.743 1.00 9.81 H new ATOM 900 N THR A 57 22.230 10.834 7.173 1.00 9.98 N ATOM 901 CA THR A 57 22.049 11.717 8.316 1.00 11.08 C ATOM 902 C THR A 57 20.994 11.178 9.293 1.00 11.16 C ATOM 903 O THR A 57 21.175 11.236 10.510 1.00 12.08 O ATOM 904 CB THR A 57 21.646 13.126 7.831 1.00 11.53 C ATOM 905 OG1 THR A 57 22.696 13.687 7.029 1.00 12.00 O ATOM 906 CG2 THR A 57 21.340 14.052 8.989 1.00 12.46 C ATOM 0 H THR A 57 22.106 11.297 6.273 1.00 9.98 H new ATOM 0 HA THR A 57 22.998 11.769 8.850 1.00 11.08 H new ATOM 0 HB THR A 57 20.740 13.023 7.234 1.00 11.53 H new ATOM 0 HG1 THR A 57 22.675 13.286 6.135 1.00 12.00 H new ATOM 0 HG21 THR A 57 21.061 15.033 8.606 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.516 13.643 9.574 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.222 14.147 9.622 1.00 12.46 H new ATOM 914 N ILE A 58 19.898 10.654 8.761 1.00 10.34 N ATOM 915 CA ILE A 58 18.845 10.100 9.603 1.00 10.60 C ATOM 916 C ILE A 58 19.124 8.638 9.948 1.00 10.65 C ATOM 917 O ILE A 58 18.840 8.193 11.058 1.00 11.46 O ATOM 918 CB ILE A 58 17.457 10.214 8.942 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.459 9.517 7.585 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.065 11.676 8.791 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.102 9.429 6.935 1.00 8.44 C ATOM 0 H ILE A 58 19.715 10.601 7.759 1.00 10.34 H new ATOM 0 HA ILE A 58 18.840 10.690 10.519 1.00 10.60 H new ATOM 0 HB ILE A 58 16.723 9.723 9.581 1.00 9.96 H new ATOM 0 HG12 ILE A 58 18.136 10.049 6.917 1.00 8.86 H new ATOM 0 HG13 ILE A 58 17.857 8.510 7.707 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.083 11.743 8.323 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.032 12.147 9.773 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.799 12.187 8.168 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.191 8.920 5.975 1.00 8.44 H new ATOM 0 HD12 ILE A 58 15.425 8.870 7.581 1.00 8.44 H new ATOM 0 HD13 ILE A 58 15.708 10.433 6.778 1.00 8.44 H new ATOM 933 N LEU A 59 19.694 7.900 8.996 1.00 9.90 N ATOM 934 CA LEU A 59 20.016 6.486 9.199 1.00 9.98 C ATOM 935 C LEU A 59 20.902 6.279 10.416 1.00 11.20 C ATOM 936 O LEU A 59 20.712 5.335 11.171 1.00 11.84 O ATOM 937 CB LEU A 59 20.707 5.891 7.971 1.00 9.07 C ATOM 938 CG LEU A 59 19.829 5.719 6.734 1.00 7.91 C ATOM 939 CD1 LEU A 59 20.625 5.073 5.612 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.597 4.892 7.063 1.00 7.92 C ATOM 0 H LEU A 59 19.943 8.258 8.074 1.00 9.90 H new ATOM 0 HA LEU A 59 19.068 5.974 9.363 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.552 6.528 7.708 1.00 9.07 H new ATOM 0 HB3 LEU A 59 21.114 4.917 8.243 1.00 9.07 H new ATOM 0 HG LEU A 59 19.498 6.703 6.403 1.00 7.91 H new ATOM 0 HD11 LEU A 59 19.988 4.955 4.735 1.00 7.28 H new ATOM 0 HD12 LEU A 59 21.477 5.705 5.360 1.00 7.28 H new ATOM 0 HD13 LEU A 59 20.982 4.095 5.935 1.00 7.28 H new ATOM 0 HD21 LEU A 59 17.984 4.781 6.169 1.00 7.92 H new ATOM 0 HD22 LEU A 59 18.903 3.908 7.418 1.00 7.92 H new ATOM 0 HD23 LEU A 59 18.019 5.393 7.839 1.00 7.92 H new ATOM 952 N LYS A 60 21.871 7.159 10.605 1.00 11.67 N ATOM 953 CA LYS A 60 22.777 7.042 11.738 1.00 12.90 C ATOM 954 C LYS A 60 22.083 7.431 13.041 1.00 13.86 C ATOM 955 O LYS A 60 22.532 7.070 14.128 1.00 14.91 O ATOM 956 CB LYS A 60 24.030 7.890 11.505 1.00 13.23 C ATOM 957 CG LYS A 60 23.751 9.375 11.342 1.00 13.20 C ATOM 958 CD LYS A 60 24.877 10.067 10.593 1.00 13.44 C ATOM 959 CE LYS A 60 26.209 9.923 11.313 1.00 14.35 C ATOM 960 NZ LYS A 60 27.342 10.401 10.478 1.00 14.91 N ATOM 0 H LYS A 60 22.051 7.956 9.995 1.00 11.67 H new ATOM 0 HA LYS A 60 23.080 5.999 11.829 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.712 7.749 12.343 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.541 7.527 10.613 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.813 9.515 10.804 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.627 9.834 12.323 1.00 13.20 H new ATOM 0 HD2 LYS A 60 24.959 9.646 9.591 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.640 11.124 10.477 1.00 13.44 H new ATOM 0 HE2 LYS A 60 26.181 10.487 12.245 1.00 14.35 H new ATOM 0 HE3 LYS A 60 26.368 8.878 11.578 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 28.233 10.287 11.003 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 27.384 9.846 9.600 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 27.203 11.405 10.247 1.00 14.91 H new ATOM 974 N ALA A 61 20.980 8.155 12.926 1.00 13.54 N ATOM 975 CA ALA A 61 20.218 8.574 14.092 1.00 14.41 C ATOM 976 C ALA A 61 19.290 7.461 14.566 1.00 14.65 C ATOM 977 O ALA A 61 19.176 7.205 15.765 1.00 15.64 O ATOM 978 CB ALA A 61 19.421 9.832 13.782 1.00 14.06 C ATOM 0 H ALA A 61 20.592 8.465 12.035 1.00 13.54 H new ATOM 0 HA ALA A 61 20.922 8.795 14.895 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.857 10.132 14.665 1.00 14.06 H new ATOM 0 HB2 ALA A 61 20.103 10.634 13.497 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.732 9.633 12.961 1.00 14.06 H new ATOM 984 N LEU A 62 18.647 6.782 13.624 1.00 13.84 N ATOM 985 CA LEU A 62 17.668 5.752 13.964 1.00 14.21 C ATOM 986 C LEU A 62 18.263 4.351 13.885 1.00 14.97 C ATOM 987 O LEU A 62 17.661 3.394 14.365 1.00 15.72 O ATOM 988 CB LEU A 62 16.423 5.867 13.068 1.00 13.37 C ATOM 989 CG LEU A 62 16.670 6.123 11.573 1.00 12.15 C ATOM 990 CD1 LEU A 62 16.994 4.835 10.832 1.00 11.39 C ATOM 991 CD2 LEU A 62 15.464 6.808 10.949 1.00 12.25 C ATOM 0 H LEU A 62 18.783 6.923 12.623 1.00 13.84 H new ATOM 0 HA LEU A 62 17.368 5.918 14.999 1.00 14.21 H new ATOM 0 HB2 LEU A 62 15.848 4.946 13.165 1.00 13.37 H new ATOM 0 HB3 LEU A 62 15.800 6.674 13.453 1.00 13.37 H new ATOM 0 HG LEU A 62 17.535 6.781 11.485 1.00 12.15 H new ATOM 0 HD11 LEU A 62 17.163 5.054 9.778 1.00 11.39 H new ATOM 0 HD12 LEU A 62 17.892 4.386 11.257 1.00 11.39 H new ATOM 0 HD13 LEU A 62 16.160 4.140 10.929 1.00 11.39 H new ATOM 0 HD21 LEU A 62 15.653 6.983 9.890 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.586 6.172 11.061 1.00 12.25 H new ATOM 0 HD23 LEU A 62 15.288 7.761 11.449 1.00 12.25 H new ATOM 1055 N LEU A 68 16.960 -3.506 9.158 1.00 12.22 N ATOM 1056 CA LEU A 68 17.174 -3.328 7.723 1.00 11.25 C ATOM 1057 C LEU A 68 15.898 -2.811 7.049 1.00 11.10 C ATOM 1058 O LEU A 68 15.944 -1.899 6.224 1.00 10.12 O ATOM 1059 CB LEU A 68 17.623 -4.662 7.098 1.00 11.69 C ATOM 1060 CG LEU A 68 18.388 -4.585 5.763 1.00 10.84 C ATOM 1061 CD1 LEU A 68 17.481 -4.155 4.620 1.00 10.70 C ATOM 1062 CD2 LEU A 68 19.580 -3.645 5.877 1.00 9.79 C ATOM 0 HA LEU A 68 17.957 -2.586 7.568 1.00 11.25 H new ATOM 0 HB2 LEU A 68 18.254 -5.180 7.821 1.00 11.69 H new ATOM 0 HB3 LEU A 68 16.738 -5.280 6.947 1.00 11.69 H new ATOM 0 HG LEU A 68 18.753 -5.587 5.539 1.00 10.84 H new ATOM 0 HD11 LEU A 68 18.056 -4.112 3.695 1.00 10.70 H new ATOM 0 HD12 LEU A 68 16.669 -4.874 4.509 1.00 10.70 H new ATOM 0 HD13 LEU A 68 17.066 -3.170 4.835 1.00 10.70 H new ATOM 0 HD21 LEU A 68 20.105 -3.606 4.923 1.00 9.79 H new ATOM 0 HD22 LEU A 68 19.232 -2.646 6.140 1.00 9.79 H new ATOM 0 HD23 LEU A 68 20.258 -4.009 6.650 1.00 9.79 H new ATOM 1074 N GLU A 69 14.761 -3.372 7.429 1.00 12.16 N ATOM 1075 CA GLU A 69 13.490 -2.993 6.823 1.00 12.26 C ATOM 1076 C GLU A 69 13.010 -1.633 7.318 1.00 11.96 C ATOM 1077 O GLU A 69 12.333 -0.905 6.591 1.00 11.57 O ATOM 1078 CB GLU A 69 12.438 -4.070 7.094 1.00 13.61 C ATOM 1079 CG GLU A 69 12.224 -4.350 8.571 1.00 14.60 C ATOM 1080 CD GLU A 69 11.280 -5.505 8.814 1.00 15.86 C ATOM 1081 OE1 GLU A 69 11.749 -6.582 9.230 1.00 16.53 O ATOM 1082 OE2 GLU A 69 10.066 -5.345 8.577 1.00 16.24 O ATOM 0 H GLU A 69 14.690 -4.089 8.151 1.00 12.16 H new ATOM 0 HA GLU A 69 13.643 -2.909 5.747 1.00 12.26 H new ATOM 0 HB2 GLU A 69 11.491 -3.762 6.650 1.00 13.61 H new ATOM 0 HB3 GLU A 69 12.738 -4.993 6.597 1.00 13.61 H new ATOM 0 HG2 GLU A 69 13.185 -4.566 9.039 1.00 14.60 H new ATOM 0 HG3 GLU A 69 11.829 -3.456 9.053 1.00 14.60 H new ATOM 1089 N GLU A 70 13.370 -1.282 8.538 1.00 12.26 N ATOM 1090 CA GLU A 70 13.010 0.016 9.088 1.00 12.19 C ATOM 1091 C GLU A 70 13.803 1.103 8.397 1.00 10.92 C ATOM 1092 O GLU A 70 13.255 2.111 7.953 1.00 10.57 O ATOM 1093 CB GLU A 70 13.303 0.055 10.577 1.00 13.06 C ATOM 1094 CG GLU A 70 12.601 -1.030 11.355 1.00 14.21 C ATOM 1095 CD GLU A 70 11.095 -0.861 11.369 1.00 15.02 C ATOM 1096 OE1 GLU A 70 10.597 0.034 12.084 1.00 15.56 O ATOM 1097 OE2 GLU A 70 10.401 -1.626 10.674 1.00 15.23 O ATOM 0 H GLU A 70 13.911 -1.875 9.168 1.00 12.26 H new ATOM 0 HA GLU A 70 11.944 0.179 8.927 1.00 12.19 H new ATOM 0 HB2 GLU A 70 14.378 -0.036 10.731 1.00 13.06 H new ATOM 0 HB3 GLU A 70 13.006 1.026 10.973 1.00 13.06 H new ATOM 0 HG2 GLU A 70 12.849 -1.999 10.923 1.00 14.21 H new ATOM 0 HG3 GLU A 70 12.971 -1.034 12.380 1.00 14.21 H new ATOM 1104 N MET A 71 15.100 0.877 8.299 1.00 10.30 N ATOM 1105 CA MET A 71 15.993 1.826 7.639 1.00 9.14 C ATOM 1106 C MET A 71 15.682 1.896 6.144 1.00 8.31 C ATOM 1107 O MET A 71 15.974 2.891 5.478 1.00 7.58 O ATOM 1108 CB MET A 71 17.466 1.460 7.868 1.00 8.85 C ATOM 1109 CG MET A 71 17.891 0.154 7.220 1.00 8.69 C ATOM 1110 SD MET A 71 19.605 -0.278 7.577 1.00 8.41 S ATOM 1111 CE MET A 71 20.464 1.094 6.813 1.00 8.50 C ATOM 0 H MET A 71 15.564 0.046 8.666 1.00 10.30 H new ATOM 0 HA MET A 71 15.824 2.809 8.079 1.00 9.14 H new ATOM 0 HB2 MET A 71 18.093 2.264 7.483 1.00 8.85 H new ATOM 0 HB3 MET A 71 17.651 1.397 8.940 1.00 8.85 H new ATOM 0 HG2 MET A 71 17.239 -0.648 7.567 1.00 8.69 H new ATOM 0 HG3 MET A 71 17.757 0.229 6.141 1.00 8.69 H new ATOM 0 HE1 MET A 71 21.268 0.714 6.183 1.00 8.50 H new ATOM 0 HE2 MET A 71 19.765 1.667 6.204 1.00 8.50 H new ATOM 0 HE3 MET A 71 20.883 1.737 7.587 1.00 8.50 H new ATOM 1121 N MET A 72 15.080 0.829 5.630 1.00 8.67 N ATOM 1122 CA MET A 72 14.596 0.802 4.257 1.00 8.32 C ATOM 1123 C MET A 72 13.467 1.809 4.089 1.00 8.63 C ATOM 1124 O MET A 72 13.446 2.590 3.135 1.00 8.10 O ATOM 1125 CB MET A 72 14.102 -0.602 3.902 1.00 9.08 C ATOM 1126 CG MET A 72 13.615 -0.744 2.470 1.00 9.10 C ATOM 1127 SD MET A 72 12.923 -2.372 2.133 1.00 10.28 S ATOM 1128 CE MET A 72 14.276 -3.433 2.630 1.00 11.15 C ATOM 0 H MET A 72 14.915 -0.034 6.149 1.00 8.67 H new ATOM 0 HA MET A 72 15.413 1.067 3.586 1.00 8.32 H new ATOM 0 HB2 MET A 72 14.910 -1.314 4.072 1.00 9.08 H new ATOM 0 HB3 MET A 72 13.291 -0.872 4.579 1.00 9.08 H new ATOM 0 HG2 MET A 72 12.860 0.016 2.270 1.00 9.10 H new ATOM 0 HG3 MET A 72 14.444 -0.557 1.788 1.00 9.10 H new ATOM 0 HE1 MET A 72 14.270 -4.338 2.023 1.00 11.15 H new ATOM 0 HE2 MET A 72 15.221 -2.908 2.489 1.00 11.15 H new ATOM 0 HE3 MET A 72 14.162 -3.700 3.681 1.00 11.15 H new ATOM 1138 N THR A 73 12.537 1.775 5.027 1.00 9.62 N ATOM 1139 CA THR A 73 11.430 2.723 5.060 1.00 10.09 C ATOM 1140 C THR A 73 11.935 4.143 5.337 1.00 9.53 C ATOM 1141 O THR A 73 11.397 5.118 4.813 1.00 9.49 O ATOM 1142 CB THR A 73 10.398 2.326 6.136 1.00 11.37 C ATOM 1143 OG1 THR A 73 9.999 0.960 5.952 1.00 12.02 O ATOM 1144 CG2 THR A 73 9.167 3.221 6.078 1.00 11.93 C ATOM 0 H THR A 73 12.525 1.094 5.786 1.00 9.62 H new ATOM 0 HA THR A 73 10.950 2.701 4.082 1.00 10.09 H new ATOM 0 HB THR A 73 10.869 2.447 7.111 1.00 11.37 H new ATOM 0 HG1 THR A 73 10.732 0.366 6.218 1.00 12.02 H new ATOM 0 HG21 THR A 73 8.459 2.916 6.848 1.00 11.93 H new ATOM 0 HG22 THR A 73 9.462 4.257 6.246 1.00 11.93 H new ATOM 0 HG23 THR A 73 8.698 3.132 5.098 1.00 11.93 H new ATOM 1152 N ALA A 74 12.979 4.245 6.155 1.00 9.27 N ATOM 1153 CA ALA A 74 13.556 5.533 6.526 1.00 9.02 C ATOM 1154 C ALA A 74 14.058 6.319 5.315 1.00 8.01 C ATOM 1155 O ALA A 74 13.909 7.533 5.257 1.00 8.00 O ATOM 1156 CB ALA A 74 14.689 5.326 7.517 1.00 9.32 C ATOM 0 H ALA A 74 13.446 3.442 6.577 1.00 9.27 H new ATOM 0 HA ALA A 74 12.763 6.122 6.987 1.00 9.02 H new ATOM 0 HB1 ALA A 74 15.115 6.292 7.789 1.00 9.32 H new ATOM 0 HB2 ALA A 74 14.305 4.833 8.411 1.00 9.32 H new ATOM 0 HB3 ALA A 74 15.461 4.704 7.063 1.00 9.32 H new ATOM 1162 N CYS A 75 14.649 5.630 4.350 1.00 7.31 N ATOM 1163 CA CYS A 75 15.218 6.301 3.188 1.00 6.51 C ATOM 1164 C CYS A 75 14.146 6.638 2.156 1.00 6.63 C ATOM 1165 O CYS A 75 14.143 7.727 1.586 1.00 6.46 O ATOM 1166 CB CYS A 75 16.294 5.435 2.543 1.00 5.86 C ATOM 1167 SG CYS A 75 17.580 4.886 3.685 1.00 6.16 S ATOM 0 H CYS A 75 14.747 4.615 4.347 1.00 7.31 H new ATOM 0 HA CYS A 75 15.664 7.232 3.537 1.00 6.51 H new ATOM 0 HB2 CYS A 75 15.822 4.560 2.096 1.00 5.86 H new ATOM 0 HB3 CYS A 75 16.758 5.995 1.732 1.00 5.86 H new ATOM 0 HG CYS A 75 17.083 4.016 4.513 1.00 6.16 H new ATOM 1173 N GLN A 76 13.228 5.706 1.924 1.00 7.27 N ATOM 1174 CA GLN A 76 12.200 5.909 0.912 1.00 7.76 C ATOM 1175 C GLN A 76 11.200 6.958 1.386 1.00 8.19 C ATOM 1176 O GLN A 76 10.529 6.785 2.404 1.00 8.73 O ATOM 1177 CB GLN A 76 11.506 4.586 0.555 1.00 8.60 C ATOM 1178 CG GLN A 76 10.789 3.916 1.716 1.00 9.19 C ATOM 1179 CD GLN A 76 10.220 2.561 1.346 1.00 10.10 C ATOM 1180 OE1 GLN A 76 9.098 2.460 0.862 1.00 10.49 O ATOM 1181 NE2 GLN A 76 10.986 1.511 1.588 1.00 10.66 N ATOM 0 H GLN A 76 13.175 4.814 2.416 1.00 7.27 H new ATOM 0 HA GLN A 76 12.673 6.277 0.002 1.00 7.76 H new ATOM 0 HB2 GLN A 76 10.786 4.772 -0.242 1.00 8.60 H new ATOM 0 HB3 GLN A 76 12.250 3.896 0.157 1.00 8.60 H new ATOM 0 HG2 GLN A 76 11.483 3.799 2.548 1.00 9.19 H new ATOM 0 HG3 GLN A 76 9.982 4.562 2.062 1.00 9.19 H new ATOM 0 HE21 GLN A 76 11.914 1.639 1.992 1.00 10.66 H new ATOM 0 HE22 GLN A 76 10.649 0.573 1.371 1.00 10.66 H new ATOM 1190 N GLY A 77 11.146 8.073 0.669 1.00 8.13 N ATOM 1191 CA GLY A 77 10.306 9.184 1.077 1.00 8.58 C ATOM 1192 C GLY A 77 10.866 9.894 2.297 1.00 8.30 C ATOM 1193 O GLY A 77 10.242 10.813 2.833 1.00 8.85 O ATOM 0 H GLY A 77 11.671 8.229 -0.192 1.00 8.13 H new ATOM 0 HA2 GLY A 77 10.215 9.893 0.254 1.00 8.58 H new ATOM 0 HA3 GLY A 77 9.302 8.820 1.297 1.00 8.58 H new ATOM 1197 N VAL A 78 12.061 9.467 2.705 1.00 7.65 N ATOM 1198 CA VAL A 78 12.737 9.965 3.897 1.00 7.69 C ATOM 1199 C VAL A 78 11.790 10.024 5.100 1.00 8.18 C ATOM 1200 O VAL A 78 11.218 11.070 5.421 1.00 8.24 O ATOM 1201 CB VAL A 78 13.378 11.339 3.640 1.00 7.30 C ATOM 1202 CG1 VAL A 78 14.196 11.787 4.842 1.00 7.56 C ATOM 1203 CG2 VAL A 78 14.248 11.291 2.396 1.00 7.23 C ATOM 0 H VAL A 78 12.593 8.754 2.206 1.00 7.65 H new ATOM 0 HA VAL A 78 13.532 9.259 4.136 1.00 7.69 H new ATOM 0 HB VAL A 78 12.580 12.064 3.481 1.00 7.30 H new ATOM 0 HG11 VAL A 78 14.640 12.761 4.637 1.00 7.56 H new ATOM 0 HG12 VAL A 78 13.549 11.860 5.716 1.00 7.56 H new ATOM 0 HG13 VAL A 78 14.986 11.062 5.035 1.00 7.56 H new ATOM 0 HG21 VAL A 78 14.695 12.271 2.227 1.00 7.23 H new ATOM 0 HG22 VAL A 78 15.037 10.551 2.532 1.00 7.23 H new ATOM 0 HG23 VAL A 78 13.638 11.017 1.535 1.00 7.23 H new