USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 339 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 10 SER OG : rot 180:sc= -0.0635 USER MOD Single : A 14 CYS SG : rot 170:sc= -0.0925 USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.09) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 80:sc= 1.22 USER MOD Single : A 38 MET CE :methyl -163:sc= 0 (180deg=-0.157) USER MOD Single : A 39 HIS : no HE2:sc= 0.273 K(o=0.27,f=-1) USER MOD Single : A 40 CYS SG : rot 180:sc= 0.013 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 46 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.341 K(o=0.34,f=-5.1!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N SER A 10 17.271 -15.924 9.180 1.00 10.00 N ATOM 140 CA SER A 10 16.755 -15.995 7.809 1.00 10.00 C ATOM 141 C SER A 10 17.789 -16.560 6.827 1.00 10.00 C ATOM 142 O SER A 10 18.998 -16.538 7.083 1.00 10.00 O ATOM 143 CB SER A 10 16.355 -14.577 7.364 1.00 10.00 C ATOM 144 OG SER A 10 15.788 -14.571 6.063 1.00 10.00 O ATOM 0 HA SER A 10 15.898 -16.668 7.803 1.00 10.00 H new ATOM 0 HB2 SER A 10 15.639 -14.162 8.074 1.00 10.00 H new ATOM 0 HB3 SER A 10 17.232 -13.930 7.381 1.00 10.00 H new ATOM 0 HG SER A 10 15.545 -13.654 5.816 1.00 10.00 H new ATOM 150 N ARG A 11 17.310 -16.969 5.643 1.00 10.00 N ATOM 151 CA ARG A 11 18.111 -17.421 4.489 1.00 10.00 C ATOM 152 C ARG A 11 19.140 -16.371 4.083 1.00 10.00 C ATOM 153 O ARG A 11 20.221 -16.702 3.612 1.00 10.00 O ATOM 154 CB ARG A 11 17.145 -17.689 3.327 1.00 10.00 C ATOM 155 CG ARG A 11 17.817 -18.348 2.112 1.00 10.00 C ATOM 156 CD ARG A 11 16.761 -18.782 1.088 1.00 10.00 C ATOM 157 NE ARG A 11 17.381 -19.386 -0.107 1.00 10.00 N ATOM 158 CZ ARG A 11 17.818 -18.754 -1.181 1.00 10.00 C ATOM 159 NH1 ARG A 11 17.754 -17.466 -1.346 1.00 10.00 N ATOM 160 NH2 ARG A 11 18.358 -19.401 -2.161 1.00 10.00 N ATOM 0 H ARG A 11 16.308 -16.996 5.452 1.00 10.00 H new ATOM 0 HA ARG A 11 18.659 -18.325 4.755 1.00 10.00 H new ATOM 0 HB2 ARG A 11 16.336 -18.330 3.677 1.00 10.00 H new ATOM 0 HB3 ARG A 11 16.693 -16.747 3.016 1.00 10.00 H new ATOM 0 HG2 ARG A 11 18.515 -17.649 1.651 1.00 10.00 H new ATOM 0 HG3 ARG A 11 18.398 -19.212 2.434 1.00 10.00 H new ATOM 0 HD2 ARG A 11 16.080 -19.499 1.547 1.00 10.00 H new ATOM 0 HD3 ARG A 11 16.164 -17.920 0.792 1.00 10.00 H new ATOM 0 HE ARG A 11 17.483 -20.401 -0.103 1.00 10.00 H new ATOM 0 HH11 ARG A 11 17.346 -16.878 -0.619 1.00 10.00 H new ATOM 0 HH12 ARG A 11 18.112 -17.043 -2.203 1.00 10.00 H new ATOM 0 HH21 ARG A 11 18.452 -20.415 -2.112 1.00 10.00 H new ATOM 0 HH22 ARG A 11 18.690 -18.897 -2.983 1.00 10.00 H new ATOM 174 N GLU A 12 18.802 -15.104 4.308 1.00 10.00 N ATOM 175 CA GLU A 12 19.647 -13.938 4.030 1.00 10.00 C ATOM 176 C GLU A 12 21.007 -13.999 4.752 1.00 10.00 C ATOM 177 O GLU A 12 22.025 -13.640 4.158 1.00 10.00 O ATOM 178 CB GLU A 12 18.870 -12.675 4.434 1.00 10.00 C ATOM 179 CG GLU A 12 19.534 -11.386 3.932 1.00 10.00 C ATOM 180 CD GLU A 12 18.669 -10.156 4.270 1.00 10.00 C ATOM 181 OE1 GLU A 12 17.794 -9.779 3.452 1.00 10.00 O ATOM 182 OE2 GLU A 12 18.859 -9.554 5.355 1.00 10.00 O ATOM 0 H GLU A 12 17.898 -14.848 4.704 1.00 10.00 H new ATOM 0 HA GLU A 12 19.877 -13.923 2.965 1.00 10.00 H new ATOM 0 HB2 GLU A 12 17.856 -12.735 4.038 1.00 10.00 H new ATOM 0 HB3 GLU A 12 18.786 -12.637 5.520 1.00 10.00 H new ATOM 0 HG2 GLU A 12 20.519 -11.279 4.386 1.00 10.00 H new ATOM 0 HG3 GLU A 12 19.684 -11.445 2.854 1.00 10.00 H new ATOM 189 N ARG A 13 21.067 -14.512 5.993 1.00 10.00 N ATOM 190 CA ARG A 13 22.347 -14.690 6.712 1.00 10.00 C ATOM 191 C ARG A 13 23.210 -15.765 6.044 1.00 10.00 C ATOM 192 O ARG A 13 24.409 -15.569 5.846 1.00 10.00 O ATOM 193 CB ARG A 13 22.126 -15.039 8.192 1.00 10.00 C ATOM 194 CG ARG A 13 21.546 -13.877 9.011 1.00 10.00 C ATOM 195 CD ARG A 13 21.798 -14.120 10.504 1.00 10.00 C ATOM 196 NE ARG A 13 21.145 -13.103 11.351 1.00 10.00 N ATOM 197 CZ ARG A 13 21.094 -13.111 12.672 1.00 10.00 C ATOM 198 NH1 ARG A 13 21.663 -14.045 13.379 1.00 10.00 N ATOM 199 NH2 ARG A 13 20.463 -12.171 13.314 1.00 10.00 N ATOM 0 H ARG A 13 20.247 -14.811 6.521 1.00 10.00 H new ATOM 0 HA ARG A 13 22.873 -13.737 6.664 1.00 10.00 H new ATOM 0 HB2 ARG A 13 21.453 -15.894 8.260 1.00 10.00 H new ATOM 0 HB3 ARG A 13 23.075 -15.346 8.631 1.00 10.00 H new ATOM 0 HG2 ARG A 13 22.005 -12.938 8.703 1.00 10.00 H new ATOM 0 HG3 ARG A 13 20.476 -13.785 8.823 1.00 10.00 H new ATOM 0 HD2 ARG A 13 21.430 -15.109 10.777 1.00 10.00 H new ATOM 0 HD3 ARG A 13 22.871 -14.116 10.695 1.00 10.00 H new ATOM 0 HE ARG A 13 20.692 -12.323 10.874 1.00 10.00 H new ATOM 0 HH11 ARG A 13 22.167 -14.800 12.915 1.00 10.00 H new ATOM 0 HH12 ARG A 13 21.604 -14.021 14.397 1.00 10.00 H new ATOM 0 HH21 ARG A 13 20.003 -11.421 12.798 1.00 10.00 H new ATOM 0 HH22 ARG A 13 20.428 -12.184 14.333 1.00 10.00 H new ATOM 213 N CYS A 14 22.590 -16.879 5.653 1.00 10.00 N ATOM 214 CA CYS A 14 23.254 -17.965 4.926 1.00 10.00 C ATOM 215 C CYS A 14 23.762 -17.479 3.548 1.00 10.00 C ATOM 216 O CYS A 14 24.888 -17.776 3.146 1.00 10.00 O ATOM 217 CB CYS A 14 22.258 -19.126 4.814 1.00 10.00 C ATOM 218 SG CYS A 14 23.128 -20.652 4.377 1.00 10.00 S ATOM 0 H CYS A 14 21.602 -17.056 5.833 1.00 10.00 H new ATOM 0 HA CYS A 14 24.140 -18.306 5.462 1.00 10.00 H new ATOM 0 HB2 CYS A 14 21.732 -19.256 5.760 1.00 10.00 H new ATOM 0 HB3 CYS A 14 21.505 -18.898 4.059 1.00 10.00 H new ATOM 0 HG CYS A 14 22.317 -21.662 4.492 1.00 10.00 H new ATOM 224 N ALA A 15 22.952 -16.669 2.855 1.00 10.00 N ATOM 225 CA ALA A 15 23.285 -16.044 1.576 1.00 10.00 C ATOM 226 C ALA A 15 24.493 -15.096 1.706 1.00 10.00 C ATOM 227 O ALA A 15 25.408 -15.137 0.884 1.00 10.00 O ATOM 228 CB ALA A 15 22.052 -15.283 1.069 1.00 10.00 C ATOM 0 H ALA A 15 22.017 -16.425 3.183 1.00 10.00 H new ATOM 0 HA ALA A 15 23.565 -16.819 0.863 1.00 10.00 H new ATOM 0 HB1 ALA A 15 22.283 -14.810 0.115 1.00 10.00 H new ATOM 0 HB2 ALA A 15 21.223 -15.979 0.938 1.00 10.00 H new ATOM 0 HB3 ALA A 15 21.772 -14.519 1.794 1.00 10.00 H new ATOM 234 N ASP A 16 24.522 -14.263 2.752 1.00 10.00 N ATOM 235 CA ASP A 16 25.623 -13.335 3.032 1.00 10.00 C ATOM 236 C ASP A 16 26.955 -14.075 3.260 1.00 10.00 C ATOM 237 O ASP A 16 27.996 -13.650 2.760 1.00 10.00 O ATOM 238 CB ASP A 16 25.253 -12.461 4.237 1.00 10.00 C ATOM 239 CG ASP A 16 26.247 -11.308 4.421 1.00 10.00 C ATOM 240 OD1 ASP A 16 26.170 -10.333 3.636 1.00 10.00 O ATOM 241 OD2 ASP A 16 27.086 -11.362 5.352 1.00 10.00 O ATOM 0 H ASP A 16 23.769 -14.214 3.439 1.00 10.00 H new ATOM 0 HA ASP A 16 25.772 -12.698 2.160 1.00 10.00 H new ATOM 0 HB2 ASP A 16 24.249 -12.059 4.102 1.00 10.00 H new ATOM 0 HB3 ASP A 16 25.233 -13.073 5.139 1.00 10.00 H new ATOM 246 N ALA A 17 26.919 -15.216 3.956 1.00 10.00 N ATOM 247 CA ALA A 17 28.086 -16.072 4.169 1.00 10.00 C ATOM 248 C ALA A 17 28.607 -16.703 2.858 1.00 10.00 C ATOM 249 O ALA A 17 29.813 -16.907 2.706 1.00 10.00 O ATOM 250 CB ALA A 17 27.737 -17.134 5.220 1.00 10.00 C ATOM 0 H ALA A 17 26.068 -15.573 4.391 1.00 10.00 H new ATOM 0 HA ALA A 17 28.907 -15.457 4.538 1.00 10.00 H new ATOM 0 HB1 ALA A 17 28.600 -17.778 5.387 1.00 10.00 H new ATOM 0 HB2 ALA A 17 27.463 -16.645 6.155 1.00 10.00 H new ATOM 0 HB3 ALA A 17 26.899 -17.735 4.866 1.00 10.00 H new ATOM 256 N LEU A 18 27.718 -17.019 1.907 1.00 10.00 N ATOM 257 CA LEU A 18 28.053 -17.580 0.604 1.00 10.00 C ATOM 258 C LEU A 18 28.629 -16.499 -0.331 1.00 10.00 C ATOM 259 O LEU A 18 29.624 -16.751 -1.011 1.00 10.00 O ATOM 260 CB LEU A 18 26.762 -18.238 0.073 1.00 10.00 C ATOM 261 CG LEU A 18 26.673 -18.454 -1.441 1.00 10.00 C ATOM 262 CD1 LEU A 18 27.736 -19.408 -1.990 1.00 10.00 C ATOM 263 CD2 LEU A 18 25.306 -19.031 -1.803 1.00 10.00 C ATOM 0 H LEU A 18 26.715 -16.884 2.034 1.00 10.00 H new ATOM 0 HA LEU A 18 28.841 -18.331 0.669 1.00 10.00 H new ATOM 0 HB2 LEU A 18 26.647 -19.205 0.562 1.00 10.00 H new ATOM 0 HB3 LEU A 18 25.916 -17.623 0.379 1.00 10.00 H new ATOM 0 HG LEU A 18 26.835 -17.473 -1.888 1.00 10.00 H new ATOM 0 HD11 LEU A 18 27.610 -19.512 -3.068 1.00 10.00 H new ATOM 0 HD12 LEU A 18 28.728 -19.009 -1.777 1.00 10.00 H new ATOM 0 HD13 LEU A 18 27.628 -20.384 -1.517 1.00 10.00 H new ATOM 0 HD21 LEU A 18 25.249 -19.182 -2.881 1.00 10.00 H new ATOM 0 HD22 LEU A 18 25.168 -19.985 -1.295 1.00 10.00 H new ATOM 0 HD23 LEU A 18 24.525 -18.338 -1.492 1.00 10.00 H new ATOM 275 N LYS A 19 28.038 -15.294 -0.380 1.00 10.00 N ATOM 276 CA LYS A 19 28.456 -14.207 -1.268 1.00 10.00 C ATOM 277 C LYS A 19 29.927 -13.789 -1.125 1.00 10.00 C ATOM 278 O LYS A 19 30.500 -13.316 -2.107 1.00 10.00 O ATOM 279 CB LYS A 19 27.458 -13.038 -1.124 1.00 10.00 C ATOM 280 CG LYS A 19 27.955 -11.863 -0.272 1.00 10.00 C ATOM 281 CD LYS A 19 26.893 -10.777 -0.068 1.00 10.00 C ATOM 282 CE LYS A 19 27.538 -9.569 0.627 1.00 10.00 C ATOM 283 NZ LYS A 19 26.546 -8.771 1.390 1.00 10.00 N ATOM 0 H LYS A 19 27.242 -15.048 0.209 1.00 10.00 H new ATOM 0 HA LYS A 19 28.423 -14.578 -2.292 1.00 10.00 H new ATOM 0 HB2 LYS A 19 27.210 -12.667 -2.118 1.00 10.00 H new ATOM 0 HB3 LYS A 19 26.535 -13.419 -0.687 1.00 10.00 H new ATOM 0 HG2 LYS A 19 28.275 -12.237 0.700 1.00 10.00 H new ATOM 0 HG3 LYS A 19 28.831 -11.422 -0.748 1.00 10.00 H new ATOM 0 HD2 LYS A 19 26.472 -10.478 -1.028 1.00 10.00 H new ATOM 0 HD3 LYS A 19 26.071 -11.163 0.535 1.00 10.00 H new ATOM 0 HE2 LYS A 19 28.321 -9.915 1.302 1.00 10.00 H new ATOM 0 HE3 LYS A 19 28.017 -8.935 -0.119 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 26.983 -7.880 1.701 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 25.728 -8.562 0.783 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 26.232 -9.311 2.221 1.00 10.00 H new ATOM 297 N THR A 20 30.532 -13.947 0.056 1.00 10.00 N ATOM 298 CA THR A 20 31.939 -13.579 0.320 1.00 10.00 C ATOM 299 C THR A 20 32.963 -14.631 -0.130 1.00 10.00 C ATOM 300 O THR A 20 34.161 -14.338 -0.148 1.00 10.00 O ATOM 301 CB THR A 20 32.162 -13.262 1.811 1.00 10.00 C ATOM 302 OG1 THR A 20 31.706 -14.313 2.637 1.00 10.00 O ATOM 303 CG2 THR A 20 31.412 -11.998 2.236 1.00 10.00 C ATOM 0 H THR A 20 30.058 -14.338 0.870 1.00 10.00 H new ATOM 0 HA THR A 20 32.110 -12.689 -0.286 1.00 10.00 H new ATOM 0 HB THR A 20 33.237 -13.123 1.929 1.00 10.00 H new ATOM 0 HG1 THR A 20 31.863 -14.082 3.576 1.00 10.00 H new ATOM 0 HG21 THR A 20 31.593 -11.806 3.294 1.00 10.00 H new ATOM 0 HG22 THR A 20 31.764 -11.151 1.648 1.00 10.00 H new ATOM 0 HG23 THR A 20 30.344 -12.136 2.070 1.00 10.00 H new ATOM 311 N LEU A 21 32.535 -15.844 -0.510 1.00 10.00 N ATOM 312 CA LEU A 21 33.422 -16.906 -0.996 1.00 10.00 C ATOM 313 C LEU A 21 34.034 -16.548 -2.374 1.00 10.00 C ATOM 314 O LEU A 21 33.420 -15.777 -3.123 1.00 10.00 O ATOM 315 CB LEU A 21 32.631 -18.226 -1.074 1.00 10.00 C ATOM 316 CG LEU A 21 32.093 -18.747 0.275 1.00 10.00 C ATOM 317 CD1 LEU A 21 31.309 -20.041 0.054 1.00 10.00 C ATOM 318 CD2 LEU A 21 33.210 -19.044 1.279 1.00 10.00 C ATOM 0 H LEU A 21 31.552 -16.116 -0.487 1.00 10.00 H new ATOM 0 HA LEU A 21 34.252 -17.019 -0.298 1.00 10.00 H new ATOM 0 HB2 LEU A 21 31.790 -18.088 -1.754 1.00 10.00 H new ATOM 0 HB3 LEU A 21 33.273 -18.991 -1.511 1.00 10.00 H new ATOM 0 HG LEU A 21 31.459 -17.959 0.682 1.00 10.00 H new ATOM 0 HD11 LEU A 21 30.931 -20.405 1.009 1.00 10.00 H new ATOM 0 HD12 LEU A 21 30.472 -19.849 -0.618 1.00 10.00 H new ATOM 0 HD13 LEU A 21 31.964 -20.792 -0.387 1.00 10.00 H new ATOM 0 HD21 LEU A 21 32.775 -19.407 2.210 1.00 10.00 H new ATOM 0 HD22 LEU A 21 33.876 -19.803 0.869 1.00 10.00 H new ATOM 0 HD23 LEU A 21 33.776 -18.133 1.474 1.00 10.00 H new ATOM 330 N PRO A 22 35.220 -17.087 -2.734 1.00 10.00 N ATOM 331 CA PRO A 22 35.873 -16.819 -4.020 1.00 10.00 C ATOM 332 C PRO A 22 34.952 -17.064 -5.224 1.00 10.00 C ATOM 333 O PRO A 22 34.289 -18.101 -5.309 1.00 10.00 O ATOM 334 CB PRO A 22 37.101 -17.734 -4.070 1.00 10.00 C ATOM 335 CG PRO A 22 37.418 -17.994 -2.601 1.00 10.00 C ATOM 336 CD PRO A 22 36.040 -17.996 -1.942 1.00 10.00 C ATOM 0 HA PRO A 22 36.146 -15.766 -4.087 1.00 10.00 H new ATOM 0 HB2 PRO A 22 36.889 -18.660 -4.604 1.00 10.00 H new ATOM 0 HB3 PRO A 22 37.936 -17.256 -4.581 1.00 10.00 H new ATOM 0 HG2 PRO A 22 37.932 -18.945 -2.462 1.00 10.00 H new ATOM 0 HG3 PRO A 22 38.062 -17.220 -2.185 1.00 10.00 H new ATOM 0 HD2 PRO A 22 35.613 -18.999 -1.931 1.00 10.00 H new ATOM 0 HD3 PRO A 22 36.102 -17.665 -0.905 1.00 10.00 H new ATOM 344 N ASP A 23 34.931 -16.127 -6.174 1.00 10.00 N ATOM 345 CA ASP A 23 34.115 -16.222 -7.393 1.00 10.00 C ATOM 346 C ASP A 23 34.412 -17.502 -8.189 1.00 10.00 C ATOM 347 O ASP A 23 33.498 -18.171 -8.667 1.00 10.00 O ATOM 348 CB ASP A 23 34.366 -14.983 -8.259 1.00 10.00 C ATOM 349 CG ASP A 23 33.405 -14.919 -9.458 1.00 10.00 C ATOM 350 OD1 ASP A 23 32.201 -14.635 -9.251 1.00 10.00 O ATOM 351 OD2 ASP A 23 33.856 -15.122 -10.611 1.00 10.00 O ATOM 0 H ASP A 23 35.484 -15.272 -6.121 1.00 10.00 H new ATOM 0 HA ASP A 23 33.066 -16.268 -7.101 1.00 10.00 H new ATOM 0 HB2 ASP A 23 34.249 -14.085 -7.652 1.00 10.00 H new ATOM 0 HB3 ASP A 23 35.395 -14.993 -8.618 1.00 10.00 H new ATOM 356 N GLU A 24 35.694 -17.860 -8.294 1.00 10.00 N ATOM 357 CA GLU A 24 36.171 -19.064 -8.983 1.00 10.00 C ATOM 358 C GLU A 24 35.630 -20.357 -8.349 1.00 10.00 C ATOM 359 O GLU A 24 35.233 -21.277 -9.065 1.00 10.00 O ATOM 360 CB GLU A 24 37.711 -19.113 -8.996 1.00 10.00 C ATOM 361 CG GLU A 24 38.398 -17.853 -9.552 1.00 10.00 C ATOM 362 CD GLU A 24 38.861 -16.893 -8.434 1.00 10.00 C ATOM 363 OE1 GLU A 24 38.006 -16.345 -7.697 1.00 10.00 O ATOM 364 OE2 GLU A 24 40.090 -16.678 -8.286 1.00 10.00 O ATOM 0 H GLU A 24 36.450 -17.306 -7.892 1.00 10.00 H new ATOM 0 HA GLU A 24 35.794 -19.004 -10.004 1.00 10.00 H new ATOM 0 HB2 GLU A 24 38.063 -19.281 -7.978 1.00 10.00 H new ATOM 0 HB3 GLU A 24 38.027 -19.972 -9.588 1.00 10.00 H new ATOM 0 HG2 GLU A 24 39.258 -18.147 -10.154 1.00 10.00 H new ATOM 0 HG3 GLU A 24 37.709 -17.329 -10.215 1.00 10.00 H new ATOM 371 N GLU A 25 35.575 -20.433 -7.014 1.00 10.00 N ATOM 372 CA GLU A 25 35.041 -21.596 -6.288 1.00 10.00 C ATOM 373 C GLU A 25 33.521 -21.710 -6.472 1.00 10.00 C ATOM 374 O GLU A 25 33.016 -22.791 -6.781 1.00 10.00 O ATOM 375 CB GLU A 25 35.380 -21.500 -4.788 1.00 10.00 C ATOM 376 CG GLU A 25 36.874 -21.673 -4.475 1.00 10.00 C ATOM 377 CD GLU A 25 37.355 -23.117 -4.721 1.00 10.00 C ATOM 378 OE1 GLU A 25 37.120 -23.996 -3.856 1.00 10.00 O ATOM 379 OE2 GLU A 25 37.983 -23.385 -5.775 1.00 10.00 O ATOM 0 H GLU A 25 35.901 -19.686 -6.401 1.00 10.00 H new ATOM 0 HA GLU A 25 35.508 -22.490 -6.702 1.00 10.00 H new ATOM 0 HB2 GLU A 25 35.050 -20.532 -4.412 1.00 10.00 H new ATOM 0 HB3 GLU A 25 34.815 -22.260 -4.249 1.00 10.00 H new ATOM 0 HG2 GLU A 25 37.455 -20.988 -5.092 1.00 10.00 H new ATOM 0 HG3 GLU A 25 37.060 -21.402 -3.436 1.00 10.00 H new ATOM 386 N VAL A 26 32.790 -20.594 -6.332 1.00 10.00 N ATOM 387 CA VAL A 26 31.331 -20.543 -6.532 1.00 10.00 C ATOM 388 C VAL A 26 30.976 -20.953 -7.968 1.00 10.00 C ATOM 389 O VAL A 26 30.131 -21.827 -8.172 1.00 10.00 O ATOM 390 CB VAL A 26 30.799 -19.132 -6.186 1.00 10.00 C ATOM 391 CG1 VAL A 26 29.321 -18.931 -6.542 1.00 10.00 C ATOM 392 CG2 VAL A 26 30.936 -18.864 -4.679 1.00 10.00 C ATOM 0 H VAL A 26 33.196 -19.694 -6.075 1.00 10.00 H new ATOM 0 HA VAL A 26 30.848 -21.253 -5.861 1.00 10.00 H new ATOM 0 HB VAL A 26 31.401 -18.445 -6.781 1.00 10.00 H new ATOM 0 HG11 VAL A 26 29.016 -17.920 -6.272 1.00 10.00 H new ATOM 0 HG12 VAL A 26 29.181 -19.078 -7.613 1.00 10.00 H new ATOM 0 HG13 VAL A 26 28.714 -19.652 -5.994 1.00 10.00 H new ATOM 0 HG21 VAL A 26 30.558 -17.868 -4.451 1.00 10.00 H new ATOM 0 HG22 VAL A 26 30.362 -19.606 -4.124 1.00 10.00 H new ATOM 0 HG23 VAL A 26 31.986 -18.928 -4.392 1.00 10.00 H new ATOM 402 N ASP A 27 31.656 -20.385 -8.968 1.00 10.00 N ATOM 403 CA ASP A 27 31.460 -20.719 -10.382 1.00 10.00 C ATOM 404 C ASP A 27 31.806 -22.187 -10.696 1.00 10.00 C ATOM 405 O ASP A 27 31.093 -22.826 -11.469 1.00 10.00 O ATOM 406 CB ASP A 27 32.290 -19.765 -11.250 1.00 10.00 C ATOM 407 CG ASP A 27 32.033 -19.984 -12.750 1.00 10.00 C ATOM 408 OD1 ASP A 27 30.941 -19.604 -13.238 1.00 10.00 O ATOM 409 OD2 ASP A 27 32.930 -20.508 -13.453 1.00 10.00 O ATOM 0 H ASP A 27 32.368 -19.670 -8.816 1.00 10.00 H new ATOM 0 HA ASP A 27 30.401 -20.598 -10.611 1.00 10.00 H new ATOM 0 HB2 ASP A 27 32.051 -18.734 -10.987 1.00 10.00 H new ATOM 0 HB3 ASP A 27 33.349 -19.910 -11.038 1.00 10.00 H new ATOM 414 N SER A 28 32.858 -22.746 -10.082 1.00 10.00 N ATOM 415 CA SER A 28 33.251 -24.151 -10.284 1.00 10.00 C ATOM 416 C SER A 28 32.152 -25.132 -9.860 1.00 10.00 C ATOM 417 O SER A 28 31.886 -26.094 -10.580 1.00 10.00 O ATOM 418 CB SER A 28 34.546 -24.492 -9.535 1.00 10.00 C ATOM 419 OG SER A 28 35.645 -23.779 -10.074 1.00 10.00 O ATOM 0 H SER A 28 33.460 -22.240 -9.433 1.00 10.00 H new ATOM 0 HA SER A 28 33.417 -24.260 -11.356 1.00 10.00 H new ATOM 0 HB2 SER A 28 34.434 -24.250 -8.478 1.00 10.00 H new ATOM 0 HB3 SER A 28 34.736 -25.563 -9.599 1.00 10.00 H new ATOM 0 HG SER A 28 35.642 -22.862 -9.727 1.00 10.00 H new ATOM 425 N ILE A 29 31.479 -24.894 -8.725 1.00 10.00 N ATOM 426 CA ILE A 29 30.373 -25.748 -8.265 1.00 10.00 C ATOM 427 C ILE A 29 29.172 -25.610 -9.218 1.00 10.00 C ATOM 428 O ILE A 29 28.589 -26.614 -9.633 1.00 10.00 O ATOM 429 CB ILE A 29 29.988 -25.446 -6.797 1.00 10.00 C ATOM 430 CG1 ILE A 29 31.197 -25.604 -5.843 1.00 10.00 C ATOM 431 CG2 ILE A 29 28.871 -26.412 -6.353 1.00 10.00 C ATOM 432 CD1 ILE A 29 30.954 -25.049 -4.433 1.00 10.00 C ATOM 0 H ILE A 29 31.683 -24.111 -8.104 1.00 10.00 H new ATOM 0 HA ILE A 29 30.705 -26.786 -8.285 1.00 10.00 H new ATOM 0 HB ILE A 29 29.646 -24.412 -6.747 1.00 10.00 H new ATOM 0 HG12 ILE A 29 31.452 -26.661 -5.768 1.00 10.00 H new ATOM 0 HG13 ILE A 29 32.059 -25.098 -6.278 1.00 10.00 H new ATOM 0 HG21 ILE A 29 28.598 -26.202 -5.319 1.00 10.00 H new ATOM 0 HG22 ILE A 29 27.999 -26.279 -6.993 1.00 10.00 H new ATOM 0 HG23 ILE A 29 29.226 -27.440 -6.433 1.00 10.00 H new ATOM 0 HD11 ILE A 29 31.846 -25.197 -3.825 1.00 10.00 H new ATOM 0 HD12 ILE A 29 30.730 -23.984 -4.495 1.00 10.00 H new ATOM 0 HD13 ILE A 29 30.113 -25.571 -3.976 1.00 10.00 H new ATOM 444 N LEU A 30 28.825 -24.382 -9.630 1.00 10.00 N ATOM 445 CA LEU A 30 27.738 -24.138 -10.589 1.00 10.00 C ATOM 446 C LEU A 30 28.004 -24.811 -11.948 1.00 10.00 C ATOM 447 O LEU A 30 27.081 -25.365 -12.544 1.00 10.00 O ATOM 448 CB LEU A 30 27.502 -22.625 -10.751 1.00 10.00 C ATOM 449 CG LEU A 30 26.962 -21.926 -9.489 1.00 10.00 C ATOM 450 CD1 LEU A 30 26.890 -20.419 -9.728 1.00 10.00 C ATOM 451 CD2 LEU A 30 25.572 -22.427 -9.092 1.00 10.00 C ATOM 0 H LEU A 30 29.289 -23.532 -9.309 1.00 10.00 H new ATOM 0 HA LEU A 30 26.831 -24.591 -10.188 1.00 10.00 H new ATOM 0 HB2 LEU A 30 28.441 -22.152 -11.040 1.00 10.00 H new ATOM 0 HB3 LEU A 30 26.800 -22.465 -11.569 1.00 10.00 H new ATOM 0 HG LEU A 30 27.649 -22.159 -8.676 1.00 10.00 H new ATOM 0 HD11 LEU A 30 26.508 -19.927 -8.834 1.00 10.00 H new ATOM 0 HD12 LEU A 30 27.886 -20.038 -9.954 1.00 10.00 H new ATOM 0 HD13 LEU A 30 26.225 -20.215 -10.567 1.00 10.00 H new ATOM 0 HD21 LEU A 30 25.238 -21.902 -8.197 1.00 10.00 H new ATOM 0 HD22 LEU A 30 24.871 -22.239 -9.906 1.00 10.00 H new ATOM 0 HD23 LEU A 30 25.615 -23.497 -8.890 1.00 10.00 H new ATOM 463 N ALA A 31 29.253 -24.823 -12.419 1.00 10.00 N ATOM 464 CA ALA A 31 29.660 -25.488 -13.659 1.00 10.00 C ATOM 465 C ALA A 31 29.582 -27.034 -13.592 1.00 10.00 C ATOM 466 O ALA A 31 29.620 -27.693 -14.634 1.00 10.00 O ATOM 467 CB ALA A 31 31.079 -25.023 -14.011 1.00 10.00 C ATOM 0 H ALA A 31 30.026 -24.361 -11.939 1.00 10.00 H new ATOM 0 HA ALA A 31 28.955 -25.203 -14.440 1.00 10.00 H new ATOM 0 HB1 ALA A 31 31.402 -25.507 -14.933 1.00 10.00 H new ATOM 0 HB2 ALA A 31 31.084 -23.942 -14.148 1.00 10.00 H new ATOM 0 HB3 ALA A 31 31.760 -25.290 -13.203 1.00 10.00 H new ATOM 473 N GLU A 32 29.468 -27.621 -12.393 1.00 10.00 N ATOM 474 CA GLU A 32 29.406 -29.074 -12.166 1.00 10.00 C ATOM 475 C GLU A 32 28.014 -29.584 -11.740 1.00 10.00 C ATOM 476 O GLU A 32 27.692 -30.741 -12.021 1.00 10.00 O ATOM 477 CB GLU A 32 30.440 -29.463 -11.092 1.00 10.00 C ATOM 478 CG GLU A 32 31.897 -29.395 -11.575 1.00 10.00 C ATOM 479 CD GLU A 32 32.231 -30.521 -12.575 1.00 10.00 C ATOM 480 OE1 GLU A 32 32.343 -31.699 -12.155 1.00 10.00 O ATOM 481 OE2 GLU A 32 32.402 -30.240 -13.786 1.00 10.00 O ATOM 0 H GLU A 32 29.415 -27.083 -11.528 1.00 10.00 H new ATOM 0 HA GLU A 32 29.627 -29.546 -13.123 1.00 10.00 H new ATOM 0 HB2 GLU A 32 30.322 -28.803 -10.232 1.00 10.00 H new ATOM 0 HB3 GLU A 32 30.229 -30.476 -10.748 1.00 10.00 H new ATOM 0 HG2 GLU A 32 32.078 -28.428 -12.045 1.00 10.00 H new ATOM 0 HG3 GLU A 32 32.566 -29.463 -10.717 1.00 10.00 H new ATOM 488 N ASP A 33 27.188 -28.766 -11.071 1.00 10.00 N ATOM 489 CA ASP A 33 25.859 -29.179 -10.572 1.00 10.00 C ATOM 490 C ASP A 33 24.735 -28.126 -10.695 1.00 10.00 C ATOM 491 O ASP A 33 23.569 -28.446 -10.460 1.00 10.00 O ATOM 492 CB ASP A 33 26.015 -29.619 -9.104 1.00 10.00 C ATOM 493 CG ASP A 33 24.864 -30.520 -8.615 1.00 10.00 C ATOM 494 OD1 ASP A 33 24.562 -31.542 -9.280 1.00 10.00 O ATOM 495 OD2 ASP A 33 24.300 -30.253 -7.528 1.00 10.00 O ATOM 0 H ASP A 33 27.419 -27.796 -10.858 1.00 10.00 H new ATOM 0 HA ASP A 33 25.530 -29.993 -11.218 1.00 10.00 H new ATOM 0 HB2 ASP A 33 26.959 -30.152 -8.989 1.00 10.00 H new ATOM 0 HB3 ASP A 33 26.070 -28.734 -8.470 1.00 10.00 H new ATOM 500 N GLY A 34 25.044 -26.879 -11.073 1.00 10.00 N ATOM 501 CA GLY A 34 24.067 -25.788 -11.237 1.00 10.00 C ATOM 502 C GLY A 34 23.504 -25.193 -9.934 1.00 10.00 C ATOM 503 O GLY A 34 22.753 -24.216 -9.982 1.00 10.00 O ATOM 0 H GLY A 34 26.001 -26.591 -11.279 1.00 10.00 H new ATOM 0 HA2 GLY A 34 24.537 -24.987 -11.807 1.00 10.00 H new ATOM 0 HA3 GLY A 34 23.234 -26.158 -11.835 1.00 10.00 H new ATOM 507 N GLU A 35 23.867 -25.744 -8.772 1.00 10.00 N ATOM 508 CA GLU A 35 23.427 -25.294 -7.445 1.00 10.00 C ATOM 509 C GLU A 35 24.453 -25.630 -6.347 1.00 10.00 C ATOM 510 O GLU A 35 25.344 -26.461 -6.536 1.00 10.00 O ATOM 511 CB GLU A 35 22.032 -25.862 -7.109 1.00 10.00 C ATOM 512 CG GLU A 35 21.967 -27.394 -7.040 1.00 10.00 C ATOM 513 CD GLU A 35 20.510 -27.873 -6.888 1.00 10.00 C ATOM 514 OE1 GLU A 35 19.820 -28.081 -7.917 1.00 10.00 O ATOM 515 OE2 GLU A 35 20.038 -28.048 -5.739 1.00 10.00 O ATOM 0 H GLU A 35 24.498 -26.544 -8.726 1.00 10.00 H new ATOM 0 HA GLU A 35 23.352 -24.207 -7.478 1.00 10.00 H new ATOM 0 HB2 GLU A 35 21.709 -25.454 -6.151 1.00 10.00 H new ATOM 0 HB3 GLU A 35 21.322 -25.514 -7.859 1.00 10.00 H new ATOM 0 HG2 GLU A 35 22.403 -27.822 -7.943 1.00 10.00 H new ATOM 0 HG3 GLU A 35 22.561 -27.750 -6.199 1.00 10.00 H new ATOM 522 N ILE A 36 24.335 -24.946 -5.207 1.00 10.00 N ATOM 523 CA ILE A 36 25.227 -25.010 -4.047 1.00 10.00 C ATOM 524 C ILE A 36 24.406 -25.121 -2.758 1.00 10.00 C ATOM 525 O ILE A 36 23.430 -24.394 -2.558 1.00 10.00 O ATOM 526 CB ILE A 36 26.114 -23.737 -3.982 1.00 10.00 C ATOM 527 CG1 ILE A 36 26.746 -23.411 -5.353 1.00 10.00 C ATOM 528 CG2 ILE A 36 27.195 -23.880 -2.892 1.00 10.00 C ATOM 529 CD1 ILE A 36 27.623 -22.162 -5.364 1.00 10.00 C ATOM 0 H ILE A 36 23.566 -24.292 -5.060 1.00 10.00 H new ATOM 0 HA ILE A 36 25.864 -25.889 -4.148 1.00 10.00 H new ATOM 0 HB ILE A 36 25.470 -22.899 -3.716 1.00 10.00 H new ATOM 0 HG12 ILE A 36 27.345 -24.263 -5.675 1.00 10.00 H new ATOM 0 HG13 ILE A 36 25.949 -23.287 -6.086 1.00 10.00 H new ATOM 0 HG21 ILE A 36 27.805 -22.977 -2.864 1.00 10.00 H new ATOM 0 HG22 ILE A 36 26.718 -24.026 -1.923 1.00 10.00 H new ATOM 0 HG23 ILE A 36 27.828 -24.738 -3.118 1.00 10.00 H new ATOM 0 HD11 ILE A 36 28.025 -22.009 -6.365 1.00 10.00 H new ATOM 0 HD12 ILE A 36 27.027 -21.296 -5.076 1.00 10.00 H new ATOM 0 HD13 ILE A 36 28.444 -22.288 -4.658 1.00 10.00 H new ATOM 541 N ASP A 37 24.844 -26.000 -1.862 1.00 10.00 N ATOM 542 CA ASP A 37 24.284 -26.173 -0.518 1.00 10.00 C ATOM 543 C ASP A 37 25.161 -25.398 0.480 1.00 10.00 C ATOM 544 O ASP A 37 26.389 -25.535 0.474 1.00 10.00 O ATOM 545 CB ASP A 37 24.221 -27.666 -0.174 1.00 10.00 C ATOM 546 CG ASP A 37 23.609 -27.898 1.216 1.00 10.00 C ATOM 547 OD1 ASP A 37 22.368 -27.796 1.352 1.00 10.00 O ATOM 548 OD2 ASP A 37 24.367 -28.194 2.170 1.00 10.00 O ATOM 0 H ASP A 37 25.621 -26.632 -2.053 1.00 10.00 H new ATOM 0 HA ASP A 37 23.268 -25.781 -0.470 1.00 10.00 H new ATOM 0 HB2 ASP A 37 23.629 -28.189 -0.925 1.00 10.00 H new ATOM 0 HB3 ASP A 37 25.224 -28.091 -0.206 1.00 10.00 H new ATOM 553 N MET A 38 24.539 -24.572 1.325 1.00 10.00 N ATOM 554 CA MET A 38 25.220 -23.718 2.303 1.00 10.00 C ATOM 555 C MET A 38 24.623 -23.901 3.706 1.00 10.00 C ATOM 556 O MET A 38 23.440 -24.212 3.855 1.00 10.00 O ATOM 557 CB MET A 38 25.145 -22.262 1.811 1.00 10.00 C ATOM 558 CG MET A 38 26.060 -21.311 2.590 1.00 10.00 C ATOM 559 SD MET A 38 27.834 -21.626 2.379 1.00 10.00 S ATOM 560 CE MET A 38 28.485 -20.379 3.519 1.00 10.00 C ATOM 0 H MET A 38 23.524 -24.476 1.349 1.00 10.00 H new ATOM 0 HA MET A 38 26.269 -24.002 2.388 1.00 10.00 H new ATOM 0 HB2 MET A 38 25.412 -22.228 0.755 1.00 10.00 H new ATOM 0 HB3 MET A 38 24.116 -21.911 1.891 1.00 10.00 H new ATOM 0 HG2 MET A 38 25.847 -20.288 2.280 1.00 10.00 H new ATOM 0 HG3 MET A 38 25.816 -21.380 3.650 1.00 10.00 H new ATOM 0 HE1 MET A 38 29.541 -20.210 3.309 1.00 10.00 H new ATOM 0 HE2 MET A 38 27.936 -19.446 3.390 1.00 10.00 H new ATOM 0 HE3 MET A 38 28.371 -20.729 4.545 1.00 10.00 H new ATOM 570 N HIS A 39 25.453 -23.733 4.737 1.00 10.00 N ATOM 571 CA HIS A 39 25.108 -23.949 6.145 1.00 10.00 C ATOM 572 C HIS A 39 24.785 -22.653 6.913 1.00 10.00 C ATOM 573 O HIS A 39 25.451 -21.627 6.745 1.00 10.00 O ATOM 574 CB HIS A 39 26.307 -24.669 6.778 1.00 10.00 C ATOM 575 CG HIS A 39 26.157 -25.040 8.233 1.00 10.00 C ATOM 576 ND1 HIS A 39 25.125 -25.751 8.803 1.00 10.00 N ATOM 577 CD2 HIS A 39 27.092 -24.835 9.213 1.00 10.00 C ATOM 578 CE1 HIS A 39 25.440 -25.987 10.086 1.00 10.00 C ATOM 579 NE2 HIS A 39 26.630 -25.440 10.389 1.00 10.00 N ATOM 0 H HIS A 39 26.419 -23.432 4.611 1.00 10.00 H new ATOM 0 HA HIS A 39 24.193 -24.538 6.202 1.00 10.00 H new ATOM 0 HB2 HIS A 39 26.503 -25.578 6.209 1.00 10.00 H new ATOM 0 HB3 HIS A 39 27.186 -24.032 6.674 1.00 10.00 H new ATOM 0 HD1 HIS A 39 24.270 -26.047 8.332 1.00 10.00 H new ATOM 0 HD2 HIS A 39 28.023 -24.300 9.099 1.00 10.00 H new ATOM 0 HE1 HIS A 39 24.823 -26.540 10.779 1.00 10.00 H new ATOM 587 N CYS A 40 23.789 -22.728 7.800 1.00 10.00 N ATOM 588 CA CYS A 40 23.384 -21.671 8.721 1.00 10.00 C ATOM 589 C CYS A 40 24.220 -21.808 10.006 1.00 10.00 C ATOM 590 O CYS A 40 23.840 -22.516 10.940 1.00 10.00 O ATOM 591 CB CYS A 40 21.876 -21.796 8.989 1.00 10.00 C ATOM 592 SG CYS A 40 21.300 -20.488 10.117 1.00 10.00 S ATOM 0 H CYS A 40 23.219 -23.568 7.897 1.00 10.00 H new ATOM 0 HA CYS A 40 23.562 -20.680 8.302 1.00 10.00 H new ATOM 0 HB2 CYS A 40 21.330 -21.735 8.048 1.00 10.00 H new ATOM 0 HB3 CYS A 40 21.660 -22.773 9.420 1.00 10.00 H new ATOM 0 HG CYS A 40 20.023 -20.622 10.320 1.00 10.00 H new ATOM 597 N ASP A 41 25.384 -21.156 10.056 1.00 10.00 N ATOM 598 CA ASP A 41 26.282 -21.198 11.223 1.00 10.00 C ATOM 599 C ASP A 41 25.609 -20.694 12.524 1.00 10.00 C ATOM 600 O ASP A 41 26.004 -21.069 13.631 1.00 10.00 O ATOM 601 CB ASP A 41 27.538 -20.377 10.899 1.00 10.00 C ATOM 602 CG ASP A 41 28.611 -20.485 11.997 1.00 10.00 C ATOM 603 OD1 ASP A 41 29.230 -21.568 12.134 1.00 10.00 O ATOM 604 OD2 ASP A 41 28.868 -19.478 12.700 1.00 10.00 O ATOM 0 H ASP A 41 25.735 -20.582 9.290 1.00 10.00 H new ATOM 0 HA ASP A 41 26.546 -22.238 11.414 1.00 10.00 H new ATOM 0 HB2 ASP A 41 27.956 -20.717 9.952 1.00 10.00 H new ATOM 0 HB3 ASP A 41 27.261 -19.331 10.768 1.00 10.00 H new ATOM 609 N TYR A 42 24.575 -19.859 12.385 1.00 10.00 N ATOM 610 CA TYR A 42 23.793 -19.266 13.470 1.00 10.00 C ATOM 611 C TYR A 42 22.861 -20.249 14.203 1.00 10.00 C ATOM 612 O TYR A 42 22.711 -20.135 15.425 1.00 10.00 O ATOM 613 CB TYR A 42 22.961 -18.124 12.871 1.00 10.00 C ATOM 614 CG TYR A 42 23.804 -16.974 12.350 1.00 10.00 C ATOM 615 CD1 TYR A 42 24.314 -16.018 13.251 1.00 10.00 C ATOM 616 CD2 TYR A 42 24.129 -16.892 10.980 1.00 10.00 C ATOM 617 CE1 TYR A 42 25.147 -14.982 12.786 1.00 10.00 C ATOM 618 CE2 TYR A 42 24.988 -15.874 10.518 1.00 10.00 C ATOM 619 CZ TYR A 42 25.494 -14.912 11.420 1.00 10.00 C ATOM 620 OH TYR A 42 26.309 -13.913 10.981 1.00 10.00 O ATOM 0 H TYR A 42 24.245 -19.565 11.466 1.00 10.00 H new ATOM 0 HA TYR A 42 24.499 -18.921 14.226 1.00 10.00 H new ATOM 0 HB2 TYR A 42 22.352 -18.516 12.057 1.00 10.00 H new ATOM 0 HB3 TYR A 42 22.275 -17.747 13.630 1.00 10.00 H new ATOM 0 HD1 TYR A 42 24.066 -16.080 14.300 1.00 10.00 H new ATOM 0 HD2 TYR A 42 23.720 -17.610 10.284 1.00 10.00 H new ATOM 0 HE1 TYR A 42 25.521 -14.240 13.476 1.00 10.00 H new ATOM 0 HE2 TYR A 42 25.259 -15.830 9.474 1.00 10.00 H new ATOM 0 HH TYR A 42 26.452 -14.008 10.016 1.00 10.00 H new ATOM 630 N CYS A 43 22.233 -21.184 13.476 1.00 10.00 N ATOM 631 CA CYS A 43 21.226 -22.120 14.009 1.00 10.00 C ATOM 632 C CYS A 43 21.536 -23.619 13.814 1.00 10.00 C ATOM 633 O CYS A 43 21.018 -24.454 14.561 1.00 10.00 O ATOM 634 CB CYS A 43 19.873 -21.802 13.347 1.00 10.00 C ATOM 635 SG CYS A 43 19.461 -20.037 13.441 1.00 10.00 S ATOM 0 H CYS A 43 22.413 -21.316 12.481 1.00 10.00 H new ATOM 0 HA CYS A 43 21.220 -21.967 15.088 1.00 10.00 H new ATOM 0 HB2 CYS A 43 19.900 -22.112 12.302 1.00 10.00 H new ATOM 0 HB3 CYS A 43 19.088 -22.383 13.831 1.00 10.00 H new ATOM 0 HG CYS A 43 18.314 -19.828 12.866 1.00 10.00 H new ATOM 640 N GLY A 44 22.348 -23.973 12.815 1.00 10.00 N ATOM 641 CA GLY A 44 22.720 -25.353 12.473 1.00 10.00 C ATOM 642 C GLY A 44 22.000 -25.906 11.230 1.00 10.00 C ATOM 643 O GLY A 44 22.259 -27.040 10.820 1.00 10.00 O ATOM 0 H GLY A 44 22.781 -23.285 12.199 1.00 10.00 H new ATOM 0 HA2 GLY A 44 23.796 -25.398 12.307 1.00 10.00 H new ATOM 0 HA3 GLY A 44 22.502 -25.999 13.324 1.00 10.00 H new ATOM 647 N ASN A 45 21.097 -25.120 10.637 1.00 10.00 N ATOM 648 CA ASN A 45 20.306 -25.456 9.446 1.00 10.00 C ATOM 649 C ASN A 45 21.133 -25.394 8.138 1.00 10.00 C ATOM 650 O ASN A 45 22.351 -25.199 8.153 1.00 10.00 O ATOM 651 CB ASN A 45 19.087 -24.503 9.415 1.00 10.00 C ATOM 652 CG ASN A 45 18.171 -24.667 10.617 1.00 10.00 C ATOM 653 OD1 ASN A 45 17.955 -25.757 11.128 1.00 10.00 O ATOM 654 ND2 ASN A 45 17.604 -23.599 11.119 1.00 10.00 N ATOM 0 H ASN A 45 20.886 -24.187 10.990 1.00 10.00 H new ATOM 0 HA ASN A 45 19.972 -26.492 9.509 1.00 10.00 H new ATOM 0 HB2 ASN A 45 19.440 -23.473 9.373 1.00 10.00 H new ATOM 0 HB3 ASN A 45 18.516 -24.682 8.504 1.00 10.00 H new ATOM 0 HD21 ASN A 45 16.989 -23.681 11.929 1.00 10.00 H new ATOM 0 HD22 ASN A 45 17.777 -22.685 10.701 1.00 10.00 H new ATOM 661 N HIS A 46 20.468 -25.529 6.989 1.00 10.00 N ATOM 662 CA HIS A 46 21.067 -25.417 5.654 1.00 10.00 C ATOM 663 C HIS A 46 20.069 -24.806 4.649 1.00 10.00 C ATOM 664 O HIS A 46 18.861 -24.776 4.910 1.00 10.00 O ATOM 665 CB HIS A 46 21.611 -26.779 5.188 1.00 10.00 C ATOM 666 CG HIS A 46 20.568 -27.742 4.672 1.00 10.00 C ATOM 667 ND1 HIS A 46 20.477 -28.210 3.381 1.00 10.00 N ATOM 668 CD2 HIS A 46 19.554 -28.326 5.383 1.00 10.00 C ATOM 669 CE1 HIS A 46 19.433 -29.050 3.308 1.00 10.00 C ATOM 670 NE2 HIS A 46 18.833 -29.154 4.509 1.00 10.00 N ATOM 0 H HIS A 46 19.468 -25.725 6.959 1.00 10.00 H new ATOM 0 HA HIS A 46 21.915 -24.734 5.708 1.00 10.00 H new ATOM 0 HB2 HIS A 46 22.347 -26.609 4.402 1.00 10.00 H new ATOM 0 HB3 HIS A 46 22.136 -27.248 6.021 1.00 10.00 H new ATOM 0 HD1 HIS A 46 21.097 -27.961 2.611 1.00 10.00 H new ATOM 0 HD2 HIS A 46 19.346 -28.176 6.432 1.00 10.00 H new ATOM 0 HE1 HIS A 46 19.119 -29.568 2.414 1.00 10.00 H new ATOM 678 N TYR A 47 20.560 -24.328 3.503 1.00 10.00 N ATOM 679 CA TYR A 47 19.785 -23.690 2.445 1.00 10.00 C ATOM 680 C TYR A 47 20.449 -23.987 1.098 1.00 10.00 C ATOM 681 O TYR A 47 21.652 -24.256 1.031 1.00 10.00 O ATOM 682 CB TYR A 47 19.742 -22.169 2.678 1.00 10.00 C ATOM 683 CG TYR A 47 18.829 -21.703 3.799 1.00 10.00 C ATOM 684 CD1 TYR A 47 17.441 -21.614 3.575 1.00 10.00 C ATOM 685 CD2 TYR A 47 19.365 -21.318 5.045 1.00 10.00 C ATOM 686 CE1 TYR A 47 16.591 -21.122 4.584 1.00 10.00 C ATOM 687 CE2 TYR A 47 18.518 -20.825 6.058 1.00 10.00 C ATOM 688 CZ TYR A 47 17.129 -20.717 5.826 1.00 10.00 C ATOM 689 OH TYR A 47 16.314 -20.214 6.793 1.00 10.00 O ATOM 0 H TYR A 47 21.554 -24.379 3.281 1.00 10.00 H new ATOM 0 HA TYR A 47 18.766 -24.078 2.448 1.00 10.00 H new ATOM 0 HB2 TYR A 47 20.754 -21.823 2.890 1.00 10.00 H new ATOM 0 HB3 TYR A 47 19.427 -21.686 1.753 1.00 10.00 H new ATOM 0 HD1 TYR A 47 17.028 -21.924 2.627 1.00 10.00 H new ATOM 0 HD2 TYR A 47 20.427 -21.401 5.224 1.00 10.00 H new ATOM 0 HE1 TYR A 47 15.528 -21.054 4.408 1.00 10.00 H new ATOM 0 HE2 TYR A 47 18.931 -20.530 7.011 1.00 10.00 H new ATOM 0 HH TYR A 47 16.846 -19.986 7.584 1.00 10.00 H new ATOM 699 N LEU A 48 19.665 -23.911 0.022 1.00 10.00 N ATOM 700 CA LEU A 48 20.127 -24.168 -1.340 1.00 10.00 C ATOM 701 C LEU A 48 20.079 -22.890 -2.189 1.00 10.00 C ATOM 702 O LEU A 48 19.154 -22.083 -2.060 1.00 10.00 O ATOM 703 CB LEU A 48 19.263 -25.278 -1.973 1.00 10.00 C ATOM 704 CG LEU A 48 19.520 -26.686 -1.403 1.00 10.00 C ATOM 705 CD1 LEU A 48 18.382 -27.628 -1.798 1.00 10.00 C ATOM 706 CD2 LEU A 48 20.824 -27.275 -1.941 1.00 10.00 C ATOM 0 H LEU A 48 18.676 -23.665 0.074 1.00 10.00 H new ATOM 0 HA LEU A 48 21.165 -24.498 -1.304 1.00 10.00 H new ATOM 0 HB2 LEU A 48 18.211 -25.028 -1.832 1.00 10.00 H new ATOM 0 HB3 LEU A 48 19.445 -25.295 -3.048 1.00 10.00 H new ATOM 0 HG LEU A 48 19.584 -26.589 -0.319 1.00 10.00 H new ATOM 0 HD11 LEU A 48 18.573 -28.621 -1.390 1.00 10.00 H new ATOM 0 HD12 LEU A 48 17.441 -27.248 -1.401 1.00 10.00 H new ATOM 0 HD13 LEU A 48 18.320 -27.688 -2.885 1.00 10.00 H new ATOM 0 HD21 LEU A 48 20.976 -28.269 -1.519 1.00 10.00 H new ATOM 0 HD22 LEU A 48 20.770 -27.346 -3.027 1.00 10.00 H new ATOM 0 HD23 LEU A 48 21.657 -26.631 -1.660 1.00 10.00 H new ATOM 718 N PHE A 49 21.075 -22.711 -3.055 1.00 10.00 N ATOM 719 CA PHE A 49 21.257 -21.550 -3.937 1.00 10.00 C ATOM 720 C PHE A 49 21.634 -22.015 -5.347 1.00 10.00 C ATOM 721 O PHE A 49 22.401 -22.961 -5.501 1.00 10.00 O ATOM 722 CB PHE A 49 22.375 -20.670 -3.352 1.00 10.00 C ATOM 723 CG PHE A 49 22.062 -20.068 -1.994 1.00 10.00 C ATOM 724 CD1 PHE A 49 22.323 -20.785 -0.808 1.00 10.00 C ATOM 725 CD2 PHE A 49 21.498 -18.783 -1.917 1.00 10.00 C ATOM 726 CE1 PHE A 49 21.991 -20.228 0.440 1.00 10.00 C ATOM 727 CE2 PHE A 49 21.154 -18.234 -0.671 1.00 10.00 C ATOM 728 CZ PHE A 49 21.394 -18.958 0.510 1.00 10.00 C ATOM 0 H PHE A 49 21.815 -23.403 -3.169 1.00 10.00 H new ATOM 0 HA PHE A 49 20.330 -20.980 -4.003 1.00 10.00 H new ATOM 0 HB2 PHE A 49 23.283 -21.267 -3.269 1.00 10.00 H new ATOM 0 HB3 PHE A 49 22.587 -19.862 -4.052 1.00 10.00 H new ATOM 0 HD1 PHE A 49 22.778 -21.763 -0.858 1.00 10.00 H new ATOM 0 HD2 PHE A 49 21.328 -18.215 -2.820 1.00 10.00 H new ATOM 0 HE1 PHE A 49 22.195 -20.778 1.347 1.00 10.00 H new ATOM 0 HE2 PHE A 49 20.704 -17.253 -0.620 1.00 10.00 H new ATOM 0 HZ PHE A 49 21.121 -18.540 1.467 1.00 10.00 H new ATOM 738 N ASN A 50 21.122 -21.349 -6.383 1.00 10.00 N ATOM 739 CA ASN A 50 21.406 -21.663 -7.789 1.00 10.00 C ATOM 740 C ASN A 50 22.019 -20.468 -8.527 1.00 10.00 C ATOM 741 O ASN A 50 22.144 -19.375 -7.974 1.00 10.00 O ATOM 742 CB ASN A 50 20.139 -22.218 -8.466 1.00 10.00 C ATOM 743 CG ASN A 50 18.984 -21.231 -8.496 1.00 10.00 C ATOM 744 OD1 ASN A 50 19.110 -20.113 -8.970 1.00 10.00 O ATOM 745 ND2 ASN A 50 17.831 -21.597 -7.987 1.00 10.00 N ATOM 0 H ASN A 50 20.485 -20.560 -6.269 1.00 10.00 H new ATOM 0 HA ASN A 50 22.165 -22.444 -7.834 1.00 10.00 H new ATOM 0 HB2 ASN A 50 20.382 -22.512 -9.487 1.00 10.00 H new ATOM 0 HB3 ASN A 50 19.822 -23.120 -7.942 1.00 10.00 H new ATOM 0 HD21 ASN A 50 17.044 -20.948 -7.988 1.00 10.00 H new ATOM 0 HD22 ASN A 50 17.722 -22.530 -7.590 1.00 10.00 H new ATOM 752 N ALA A 51 22.393 -20.681 -9.789 1.00 10.00 N ATOM 753 CA ALA A 51 23.032 -19.660 -10.622 1.00 10.00 C ATOM 754 C ALA A 51 22.217 -18.354 -10.728 1.00 10.00 C ATOM 755 O ALA A 51 22.787 -17.267 -10.624 1.00 10.00 O ATOM 756 CB ALA A 51 23.298 -20.267 -12.004 1.00 10.00 C ATOM 0 H ALA A 51 22.260 -21.573 -10.266 1.00 10.00 H new ATOM 0 HA ALA A 51 23.968 -19.368 -10.147 1.00 10.00 H new ATOM 0 HB1 ALA A 51 23.774 -19.523 -12.643 1.00 10.00 H new ATOM 0 HB2 ALA A 51 23.954 -21.131 -11.902 1.00 10.00 H new ATOM 0 HB3 ALA A 51 22.355 -20.579 -12.452 1.00 10.00 H new ATOM 762 N MET A 52 20.890 -18.443 -10.885 1.00 10.00 N ATOM 763 CA MET A 52 20.007 -17.269 -10.957 1.00 10.00 C ATOM 764 C MET A 52 19.872 -16.551 -9.606 1.00 10.00 C ATOM 765 O MET A 52 19.858 -15.321 -9.562 1.00 10.00 O ATOM 766 CB MET A 52 18.619 -17.666 -11.487 1.00 10.00 C ATOM 767 CG MET A 52 18.662 -18.233 -12.913 1.00 10.00 C ATOM 768 SD MET A 52 19.319 -17.097 -14.169 1.00 10.00 S ATOM 769 CE MET A 52 19.269 -18.188 -15.616 1.00 10.00 C ATOM 0 H MET A 52 20.396 -19.332 -10.966 1.00 10.00 H new ATOM 0 HA MET A 52 20.471 -16.569 -11.652 1.00 10.00 H new ATOM 0 HB2 MET A 52 18.180 -18.408 -10.820 1.00 10.00 H new ATOM 0 HB3 MET A 52 17.966 -16.794 -11.468 1.00 10.00 H new ATOM 0 HG2 MET A 52 19.269 -19.138 -12.910 1.00 10.00 H new ATOM 0 HG3 MET A 52 17.653 -18.527 -13.202 1.00 10.00 H new ATOM 0 HE1 MET A 52 19.641 -17.652 -16.489 1.00 10.00 H new ATOM 0 HE2 MET A 52 19.894 -19.062 -15.434 1.00 10.00 H new ATOM 0 HE3 MET A 52 18.242 -18.507 -15.796 1.00 10.00 H new ATOM 779 N ASP A 53 19.797 -17.286 -8.492 1.00 10.00 N ATOM 780 CA ASP A 53 19.684 -16.681 -7.160 1.00 10.00 C ATOM 781 C ASP A 53 20.995 -16.001 -6.735 1.00 10.00 C ATOM 782 O ASP A 53 20.985 -14.886 -6.216 1.00 10.00 O ATOM 783 CB ASP A 53 19.250 -17.752 -6.159 1.00 10.00 C ATOM 784 CG ASP A 53 18.594 -17.127 -4.921 1.00 10.00 C ATOM 785 OD1 ASP A 53 17.524 -16.488 -5.049 1.00 10.00 O ATOM 786 OD2 ASP A 53 19.116 -17.328 -3.803 1.00 10.00 O ATOM 0 H ASP A 53 19.813 -18.306 -8.486 1.00 10.00 H new ATOM 0 HA ASP A 53 18.928 -15.896 -7.188 1.00 10.00 H new ATOM 0 HB2 ASP A 53 18.550 -18.437 -6.637 1.00 10.00 H new ATOM 0 HB3 ASP A 53 20.115 -18.341 -5.856 1.00 10.00 H new ATOM 791 N ILE A 54 22.138 -16.634 -7.025 1.00 10.00 N ATOM 792 CA ILE A 54 23.477 -16.082 -6.790 1.00 10.00 C ATOM 793 C ILE A 54 23.687 -14.833 -7.659 1.00 10.00 C ATOM 794 O ILE A 54 24.282 -13.858 -7.198 1.00 10.00 O ATOM 795 CB ILE A 54 24.533 -17.185 -7.026 1.00 10.00 C ATOM 796 CG1 ILE A 54 24.428 -18.216 -5.876 1.00 10.00 C ATOM 797 CG2 ILE A 54 25.960 -16.617 -7.099 1.00 10.00 C ATOM 798 CD1 ILE A 54 25.156 -19.535 -6.144 1.00 10.00 C ATOM 0 H ILE A 54 22.158 -17.566 -7.439 1.00 10.00 H new ATOM 0 HA ILE A 54 23.586 -15.756 -5.756 1.00 10.00 H new ATOM 0 HB ILE A 54 24.333 -17.658 -7.987 1.00 10.00 H new ATOM 0 HG12 ILE A 54 24.831 -17.770 -4.966 1.00 10.00 H new ATOM 0 HG13 ILE A 54 23.375 -18.427 -5.688 1.00 10.00 H new ATOM 0 HG21 ILE A 54 26.667 -17.430 -7.266 1.00 10.00 H new ATOM 0 HG22 ILE A 54 26.026 -15.904 -7.921 1.00 10.00 H new ATOM 0 HG23 ILE A 54 26.200 -16.114 -6.162 1.00 10.00 H new ATOM 0 HD11 ILE A 54 25.032 -20.199 -5.289 1.00 10.00 H new ATOM 0 HD12 ILE A 54 24.739 -20.007 -7.034 1.00 10.00 H new ATOM 0 HD13 ILE A 54 26.217 -19.340 -6.301 1.00 10.00 H new ATOM 810 N ALA A 55 23.147 -14.813 -8.883 1.00 10.00 N ATOM 811 CA ALA A 55 23.205 -13.632 -9.748 1.00 10.00 C ATOM 812 C ALA A 55 22.423 -12.452 -9.134 1.00 10.00 C ATOM 813 O ALA A 55 22.888 -11.314 -9.180 1.00 10.00 O ATOM 814 CB ALA A 55 22.698 -13.984 -11.152 1.00 10.00 C ATOM 0 H ALA A 55 22.662 -15.608 -9.298 1.00 10.00 H new ATOM 0 HA ALA A 55 24.243 -13.311 -9.834 1.00 10.00 H new ATOM 0 HB1 ALA A 55 22.745 -13.100 -11.788 1.00 10.00 H new ATOM 0 HB2 ALA A 55 23.321 -14.770 -11.577 1.00 10.00 H new ATOM 0 HB3 ALA A 55 21.667 -14.332 -11.090 1.00 10.00 H new ATOM 820 N GLU A 56 21.275 -12.707 -8.495 1.00 10.00 N ATOM 821 CA GLU A 56 20.503 -11.666 -7.801 1.00 10.00 C ATOM 822 C GLU A 56 21.216 -11.199 -6.523 1.00 10.00 C ATOM 823 O GLU A 56 21.226 -10.002 -6.233 1.00 10.00 O ATOM 824 CB GLU A 56 19.071 -12.142 -7.511 1.00 10.00 C ATOM 825 CG GLU A 56 18.188 -12.156 -8.769 1.00 10.00 C ATOM 826 CD GLU A 56 17.786 -10.733 -9.213 1.00 10.00 C ATOM 827 OE1 GLU A 56 18.613 -10.025 -9.841 1.00 10.00 O ATOM 828 OE2 GLU A 56 16.635 -10.312 -8.939 1.00 10.00 O ATOM 0 H GLU A 56 20.856 -13.635 -8.444 1.00 10.00 H new ATOM 0 HA GLU A 56 20.434 -10.803 -8.464 1.00 10.00 H new ATOM 0 HB2 GLU A 56 19.104 -13.144 -7.084 1.00 10.00 H new ATOM 0 HB3 GLU A 56 18.620 -11.491 -6.762 1.00 10.00 H new ATOM 0 HG2 GLU A 56 18.722 -12.651 -9.580 1.00 10.00 H new ATOM 0 HG3 GLU A 56 17.290 -12.742 -8.574 1.00 10.00 H new ATOM 835 N ILE A 57 21.882 -12.101 -5.794 1.00 10.00 N ATOM 836 CA ILE A 57 22.708 -11.750 -4.626 1.00 10.00 C ATOM 837 C ILE A 57 23.856 -10.820 -5.070 1.00 10.00 C ATOM 838 O ILE A 57 24.099 -9.797 -4.428 1.00 10.00 O ATOM 839 CB ILE A 57 23.198 -13.044 -3.932 1.00 10.00 C ATOM 840 CG1 ILE A 57 22.018 -13.729 -3.199 1.00 10.00 C ATOM 841 CG2 ILE A 57 24.342 -12.773 -2.937 1.00 10.00 C ATOM 842 CD1 ILE A 57 22.265 -15.205 -2.859 1.00 10.00 C ATOM 0 H ILE A 57 21.865 -13.101 -5.996 1.00 10.00 H new ATOM 0 HA ILE A 57 22.124 -11.200 -3.888 1.00 10.00 H new ATOM 0 HB ILE A 57 23.586 -13.703 -4.708 1.00 10.00 H new ATOM 0 HG12 ILE A 57 21.811 -13.185 -2.278 1.00 10.00 H new ATOM 0 HG13 ILE A 57 21.126 -13.655 -3.820 1.00 10.00 H new ATOM 0 HG21 ILE A 57 24.652 -13.710 -2.475 1.00 10.00 H new ATOM 0 HG22 ILE A 57 25.187 -12.332 -3.466 1.00 10.00 H new ATOM 0 HG23 ILE A 57 23.997 -12.085 -2.165 1.00 10.00 H new ATOM 0 HD11 ILE A 57 21.393 -15.611 -2.347 1.00 10.00 H new ATOM 0 HD12 ILE A 57 22.441 -15.765 -3.777 1.00 10.00 H new ATOM 0 HD13 ILE A 57 23.137 -15.288 -2.210 1.00 10.00 H new