USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 287 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 307 TYR OH : rot 130:sc= 0 USER MOD Set 1.2: A 339 GLN : amide:sc= -0.426 X(o=-0.43,f=0.064) USER MOD Single : A 293 SER OG : rot 180:sc= -0.14 USER MOD Single : A 294 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 306 GLN : amide:sc= -0.267 K(o=-0.27,f=-3.3!) USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -31:sc= 0.828 USER MOD Single : A 323 ASN : amide:sc=-0.00227 X(o=-0.0023,f=-0.0023) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0.0781 USER MOD Single : A 329 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00187) USER MOD Single : A 334 GLN : amide:sc= -2.58! C(o=-2.6!,f=-7.3!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.811 1.969 -0.611 1.00 0.00 N ATOM 134 CA PRO A 287 10.133 0.739 -0.136 1.00 0.00 C ATOM 135 C PRO A 287 10.434 -0.430 -1.079 1.00 0.00 C ATOM 136 O PRO A 287 10.634 -0.247 -2.263 1.00 0.00 O ATOM 137 CB PRO A 287 8.655 1.104 -0.192 1.00 0.00 C ATOM 138 CG PRO A 287 8.558 2.183 -1.225 1.00 0.00 C ATOM 139 CD PRO A 287 9.882 2.901 -1.255 1.00 0.00 C ATOM 0 HA PRO A 287 10.456 0.427 0.857 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.046 0.242 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.298 1.453 0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.330 1.758 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.752 2.875 -0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.189 3.128 -2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.833 3.849 -0.719 1.00 0.00 H new ATOM 147 N GLU A 288 10.463 -1.629 -0.567 1.00 0.00 N ATOM 148 CA GLU A 288 10.745 -2.803 -1.443 1.00 0.00 C ATOM 149 C GLU A 288 9.432 -3.471 -1.864 1.00 0.00 C ATOM 150 O GLU A 288 9.290 -3.940 -2.976 1.00 0.00 O ATOM 151 CB GLU A 288 11.577 -3.753 -0.581 1.00 0.00 C ATOM 152 CG GLU A 288 11.938 -4.996 -1.397 1.00 0.00 C ATOM 153 CD GLU A 288 12.765 -5.952 -0.537 1.00 0.00 C ATOM 154 OE1 GLU A 288 12.820 -5.741 0.664 1.00 0.00 O ATOM 155 OE2 GLU A 288 13.329 -6.880 -1.092 1.00 0.00 O ATOM 0 H GLU A 288 10.304 -1.847 0.417 1.00 0.00 H new ATOM 0 HA GLU A 288 11.268 -2.521 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.483 -3.253 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 288 11.017 -4.039 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 288 11.031 -5.493 -1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 288 12.502 -4.709 -2.285 1.00 0.00 H new ATOM 162 N ARG A 289 8.474 -3.518 -0.980 1.00 0.00 N ATOM 163 CA ARG A 289 7.168 -4.153 -1.318 1.00 0.00 C ATOM 164 C ARG A 289 6.220 -4.063 -0.118 1.00 0.00 C ATOM 165 O ARG A 289 6.596 -3.609 0.944 1.00 0.00 O ATOM 166 CB ARG A 289 7.505 -5.613 -1.622 1.00 0.00 C ATOM 167 CG ARG A 289 8.131 -6.259 -0.384 1.00 0.00 C ATOM 168 CD ARG A 289 9.250 -7.210 -0.814 1.00 0.00 C ATOM 169 NE ARG A 289 8.621 -8.558 -0.835 1.00 0.00 N ATOM 170 CZ ARG A 289 8.649 -9.310 0.232 1.00 0.00 C ATOM 171 NH1 ARG A 289 8.699 -8.763 1.416 1.00 0.00 N ATOM 172 NH2 ARG A 289 8.625 -10.609 0.114 1.00 0.00 N ATOM 0 H ARG A 289 8.539 -3.142 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 289 6.673 -3.666 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.603 -6.153 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.195 -5.671 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.528 -5.490 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.372 -6.804 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.641 -6.941 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 289 10.087 -7.176 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 289 8.167 -8.895 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 289 8.716 -7.747 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 289 8.721 -9.351 2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 289 8.584 -11.036 -0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 289 8.647 -11.197 0.947 1.00 0.00 H new ATOM 186 N ILE A 290 4.997 -4.492 -0.271 1.00 0.00 N ATOM 187 CA ILE A 290 4.045 -4.425 0.876 1.00 0.00 C ATOM 188 C ILE A 290 3.973 -5.776 1.586 1.00 0.00 C ATOM 189 O ILE A 290 4.186 -6.817 0.994 1.00 0.00 O ATOM 190 CB ILE A 290 2.680 -4.083 0.276 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.838 -3.056 -0.847 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.787 -3.500 1.370 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.483 -1.792 -0.291 1.00 0.00 C ATOM 0 H ILE A 290 4.617 -4.883 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 290 4.362 -3.683 1.608 1.00 0.00 H new ATOM 0 HB ILE A 290 2.231 -4.988 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.452 -3.468 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.865 -2.821 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.812 -3.253 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.664 -4.232 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.247 -2.598 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.596 -1.059 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.852 -1.377 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.463 -2.034 0.120 1.00 0.00 H new ATOM 205 N ILE A 291 3.656 -5.767 2.849 1.00 0.00 N ATOM 206 CA ILE A 291 3.547 -7.049 3.603 1.00 0.00 C ATOM 207 C ILE A 291 2.143 -7.174 4.181 1.00 0.00 C ATOM 208 O ILE A 291 1.591 -8.251 4.283 1.00 0.00 O ATOM 209 CB ILE A 291 4.581 -6.985 4.735 1.00 0.00 C ATOM 210 CG1 ILE A 291 4.866 -5.526 5.138 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.866 -7.661 4.269 1.00 0.00 C ATOM 212 CD1 ILE A 291 5.903 -4.903 4.197 1.00 0.00 C ATOM 0 H ILE A 291 3.467 -4.926 3.395 1.00 0.00 H new ATOM 0 HA ILE A 291 3.731 -7.910 2.960 1.00 0.00 H new ATOM 0 HB ILE A 291 4.185 -7.502 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 291 3.943 -4.947 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.230 -5.490 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.608 -7.621 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.659 -8.701 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.251 -7.145 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.093 -3.872 4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.831 -5.473 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.524 -4.921 3.175 1.00 0.00 H new ATOM 224 N ASP A 292 1.561 -6.072 4.554 1.00 0.00 N ATOM 225 CA ASP A 292 0.190 -6.112 5.120 1.00 0.00 C ATOM 226 C ASP A 292 -0.480 -4.745 4.947 1.00 0.00 C ATOM 227 O ASP A 292 0.145 -3.787 4.540 1.00 0.00 O ATOM 228 CB ASP A 292 0.380 -6.434 6.602 1.00 0.00 C ATOM 229 CG ASP A 292 -0.987 -6.556 7.279 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.926 -6.953 6.608 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.070 -6.250 8.456 1.00 0.00 O ATOM 0 H ASP A 292 1.978 -5.143 4.491 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.445 -6.848 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 292 0.937 -7.364 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.967 -5.651 7.083 1.00 0.00 H new ATOM 236 N SER A 293 -1.742 -4.644 5.255 1.00 0.00 N ATOM 237 CA SER A 293 -2.436 -3.331 5.109 1.00 0.00 C ATOM 238 C SER A 293 -3.197 -2.989 6.394 1.00 0.00 C ATOM 239 O SER A 293 -3.583 -3.859 7.148 1.00 0.00 O ATOM 240 CB SER A 293 -3.405 -3.522 3.944 1.00 0.00 C ATOM 241 OG SER A 293 -3.719 -4.903 3.815 1.00 0.00 O ATOM 0 H SER A 293 -2.322 -5.409 5.600 1.00 0.00 H new ATOM 0 HA SER A 293 -1.739 -2.513 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.314 -2.945 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.960 -3.151 3.021 1.00 0.00 H new ATOM 0 HG SER A 293 -4.342 -5.029 3.069 1.00 0.00 H new ATOM 247 N GLN A 294 -3.413 -1.728 6.649 1.00 0.00 N ATOM 248 CA GLN A 294 -4.147 -1.334 7.886 1.00 0.00 C ATOM 249 C GLN A 294 -5.124 -0.194 7.584 1.00 0.00 C ATOM 250 O GLN A 294 -4.753 0.962 7.547 1.00 0.00 O ATOM 251 CB GLN A 294 -3.063 -0.866 8.856 1.00 0.00 C ATOM 252 CG GLN A 294 -3.632 -0.815 10.276 1.00 0.00 C ATOM 253 CD GLN A 294 -2.512 -1.081 11.284 1.00 0.00 C ATOM 254 OE1 GLN A 294 -2.053 -2.198 11.418 1.00 0.00 O ATOM 255 NE2 GLN A 294 -2.048 -0.095 12.001 1.00 0.00 N ATOM 0 H GLN A 294 -3.114 -0.954 6.056 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.735 -2.155 8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.210 -1.544 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.700 0.119 8.563 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -4.081 0.160 10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.422 -1.557 10.390 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -2.433 0.843 11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -1.300 -0.262 12.674 1.00 0.00 H new ATOM 404 N LEU A 305 -5.974 5.120 6.082 1.00 0.00 N ATOM 405 CA LEU A 305 -5.464 3.913 5.368 1.00 0.00 C ATOM 406 C LEU A 305 -3.935 3.861 5.444 1.00 0.00 C ATOM 407 O LEU A 305 -3.264 4.863 5.299 1.00 0.00 O ATOM 408 CB LEU A 305 -5.924 4.095 3.921 1.00 0.00 C ATOM 409 CG LEU A 305 -5.425 2.928 3.072 1.00 0.00 C ATOM 410 CD1 LEU A 305 -6.107 1.637 3.521 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.758 3.193 1.602 1.00 0.00 C ATOM 0 HA LEU A 305 -5.834 2.984 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.012 4.149 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.543 5.036 3.524 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.346 2.828 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.749 0.806 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.873 1.447 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -7.186 1.735 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.403 2.362 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.837 3.293 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.271 4.113 1.279 1.00 0.00 H new ATOM 423 N GLN A 306 -3.377 2.702 5.674 1.00 0.00 N ATOM 424 CA GLN A 306 -1.892 2.598 5.760 1.00 0.00 C ATOM 425 C GLN A 306 -1.418 1.224 5.271 1.00 0.00 C ATOM 426 O GLN A 306 -1.993 0.205 5.600 1.00 0.00 O ATOM 427 CB GLN A 306 -1.568 2.778 7.244 1.00 0.00 C ATOM 428 CG GLN A 306 -1.808 4.234 7.648 1.00 0.00 C ATOM 429 CD GLN A 306 -0.897 4.593 8.824 1.00 0.00 C ATOM 430 OE1 GLN A 306 0.085 3.923 9.074 1.00 0.00 O ATOM 431 NE2 GLN A 306 -1.182 5.631 9.562 1.00 0.00 N ATOM 0 H GLN A 306 -3.883 1.826 5.805 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.394 3.341 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.190 2.116 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.531 2.503 7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -1.608 4.895 6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.852 4.378 7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -2.006 6.194 9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 306 -0.580 5.879 10.348 1.00 0.00 H new ATOM 440 N TYR A 307 -0.371 1.192 4.490 1.00 0.00 N ATOM 441 CA TYR A 307 0.147 -0.112 3.981 1.00 0.00 C ATOM 442 C TYR A 307 1.503 -0.424 4.620 1.00 0.00 C ATOM 443 O TYR A 307 2.408 0.388 4.606 1.00 0.00 O ATOM 444 CB TYR A 307 0.318 0.088 2.475 1.00 0.00 C ATOM 445 CG TYR A 307 -0.913 -0.384 1.732 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.123 -0.582 2.412 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.839 -0.625 0.355 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.254 -1.020 1.712 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.970 -1.062 -0.344 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.178 -1.261 0.335 1.00 0.00 C ATOM 451 OH TYR A 307 -4.294 -1.692 -0.353 1.00 0.00 O ATOM 0 H TYR A 307 0.149 2.014 4.182 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.524 -0.938 4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.497 1.142 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.193 -0.461 2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.183 -0.397 3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.093 -0.473 -0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.186 -1.172 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.911 -1.246 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.425 -1.132 -1.147 1.00 0.00 H new ATOM 461 N LEU A 308 1.659 -1.596 5.170 1.00 0.00 N ATOM 462 CA LEU A 308 2.964 -1.955 5.794 1.00 0.00 C ATOM 463 C LEU A 308 4.008 -2.185 4.699 1.00 0.00 C ATOM 464 O LEU A 308 3.852 -3.045 3.854 1.00 0.00 O ATOM 465 CB LEU A 308 2.692 -3.245 6.569 1.00 0.00 C ATOM 466 CG LEU A 308 3.890 -3.566 7.465 1.00 0.00 C ATOM 467 CD1 LEU A 308 3.930 -2.584 8.637 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.756 -4.992 8.003 1.00 0.00 C ATOM 0 H LEU A 308 0.941 -2.320 5.215 1.00 0.00 H new ATOM 0 HA LEU A 308 3.350 -1.172 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.792 -3.135 7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.512 -4.067 5.876 1.00 0.00 H new ATOM 0 HG LEU A 308 4.809 -3.479 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.784 -2.813 9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.024 -1.567 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.011 -2.671 9.216 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.609 -5.222 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 308 2.836 -5.078 8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.727 -5.694 7.170 1.00 0.00 H new ATOM 480 N VAL A 309 5.064 -1.416 4.691 1.00 0.00 N ATOM 481 CA VAL A 309 6.100 -1.592 3.631 1.00 0.00 C ATOM 482 C VAL A 309 7.440 -2.019 4.236 1.00 0.00 C ATOM 483 O VAL A 309 7.816 -1.590 5.308 1.00 0.00 O ATOM 484 CB VAL A 309 6.229 -0.219 2.976 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.041 -0.345 1.686 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.837 0.326 2.652 1.00 0.00 C ATOM 0 H VAL A 309 5.254 -0.677 5.368 1.00 0.00 H new ATOM 0 HA VAL A 309 5.820 -2.369 2.919 1.00 0.00 H new ATOM 0 HB VAL A 309 6.735 0.463 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.134 0.635 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.033 -0.732 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.535 -1.027 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.930 1.306 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.329 -0.355 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.258 0.416 3.571 1.00 0.00 H new ATOM 496 N LYS A 310 8.167 -2.855 3.544 1.00 0.00 N ATOM 497 CA LYS A 310 9.490 -3.304 4.064 1.00 0.00 C ATOM 498 C LYS A 310 10.606 -2.489 3.405 1.00 0.00 C ATOM 499 O LYS A 310 10.995 -2.745 2.283 1.00 0.00 O ATOM 500 CB LYS A 310 9.597 -4.777 3.669 1.00 0.00 C ATOM 501 CG LYS A 310 10.935 -5.338 4.151 1.00 0.00 C ATOM 502 CD LYS A 310 11.077 -6.790 3.688 1.00 0.00 C ATOM 503 CE LYS A 310 11.471 -7.670 4.877 1.00 0.00 C ATOM 504 NZ LYS A 310 12.838 -8.162 4.552 1.00 0.00 N ATOM 0 H LYS A 310 7.901 -3.246 2.640 1.00 0.00 H new ATOM 0 HA LYS A 310 9.582 -3.169 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.774 -5.343 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 310 9.515 -4.881 2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.756 -4.738 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 310 10.993 -5.285 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 310 10.138 -7.139 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 310 11.831 -6.861 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 310 11.466 -7.102 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 310 10.773 -8.497 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 13.179 -8.774 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 12.810 -8.704 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 13.482 -7.352 4.443 1.00 0.00 H new ATOM 681 N THR A 320 7.727 -0.869 8.288 1.00 0.00 N ATOM 682 CA THR A 320 6.806 -0.185 9.241 1.00 0.00 C ATOM 683 C THR A 320 5.457 0.083 8.569 1.00 0.00 C ATOM 684 O THR A 320 5.112 -0.534 7.580 1.00 0.00 O ATOM 685 CB THR A 320 7.505 1.129 9.592 1.00 0.00 C ATOM 686 OG1 THR A 320 8.216 1.602 8.456 1.00 0.00 O ATOM 687 CG2 THR A 320 8.479 0.898 10.748 1.00 0.00 C ATOM 0 HA THR A 320 6.604 -0.786 10.127 1.00 0.00 H new ATOM 0 HB THR A 320 6.762 1.869 9.890 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.524 0.840 7.923 1.00 0.00 H new ATOM 0 HG21 THR A 320 8.977 1.835 10.997 1.00 0.00 H new ATOM 0 HG22 THR A 320 7.932 0.535 11.618 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.224 0.159 10.454 1.00 0.00 H new ATOM 695 N TRP A 321 4.688 0.995 9.097 1.00 0.00 N ATOM 696 CA TRP A 321 3.361 1.294 8.488 1.00 0.00 C ATOM 697 C TRP A 321 3.348 2.702 7.889 1.00 0.00 C ATOM 698 O TRP A 321 3.747 3.661 8.519 1.00 0.00 O ATOM 699 CB TRP A 321 2.367 1.197 9.645 1.00 0.00 C ATOM 700 CG TRP A 321 1.917 -0.219 9.794 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.246 -1.032 10.823 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.067 -1.002 8.907 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.649 -2.264 10.628 1.00 0.00 N ATOM 704 CE2 TRP A 321 0.912 -2.296 9.460 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.421 -0.719 7.688 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.143 -3.273 8.828 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.353 -1.703 7.052 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.492 -2.977 7.621 1.00 0.00 C ATOM 0 H TRP A 321 4.921 1.546 9.923 1.00 0.00 H new ATOM 0 HA TRP A 321 3.119 0.607 7.677 1.00 0.00 H new ATOM 0 HB2 TRP A 321 2.832 1.542 10.569 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.510 1.845 9.459 1.00 0.00 H new ATOM 0 HD1 TRP A 321 2.873 -0.763 11.660 1.00 0.00 H new ATOM 0 HE1 TRP A 321 1.741 -3.053 11.268 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.521 0.259 7.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.040 -4.253 9.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.845 -1.477 6.118 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.090 -3.728 7.126 1.00 0.00 H new ATOM 719 N GLU A 322 2.878 2.831 6.680 1.00 0.00 N ATOM 720 CA GLU A 322 2.819 4.172 6.034 1.00 0.00 C ATOM 721 C GLU A 322 1.493 4.320 5.285 1.00 0.00 C ATOM 722 O GLU A 322 0.849 3.344 4.953 1.00 0.00 O ATOM 723 CB GLU A 322 3.999 4.201 5.059 1.00 0.00 C ATOM 724 CG GLU A 322 5.244 4.719 5.783 1.00 0.00 C ATOM 725 CD GLU A 322 6.081 5.562 4.820 1.00 0.00 C ATOM 726 OE1 GLU A 322 6.099 5.241 3.642 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.691 6.516 5.275 1.00 0.00 O ATOM 0 H GLU A 322 2.530 2.061 6.108 1.00 0.00 H new ATOM 0 HA GLU A 322 2.878 4.988 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.184 3.202 4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.767 4.842 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 322 4.953 5.316 6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 322 5.834 3.883 6.158 1.00 0.00 H new ATOM 734 N ASN A 323 1.072 5.525 5.016 1.00 0.00 N ATOM 735 CA ASN A 323 -0.210 5.714 4.292 1.00 0.00 C ATOM 736 C ASN A 323 -0.218 4.855 3.031 1.00 0.00 C ATOM 737 O ASN A 323 0.708 4.885 2.245 1.00 0.00 O ATOM 738 CB ASN A 323 -0.248 7.199 3.930 1.00 0.00 C ATOM 739 CG ASN A 323 -0.567 8.022 5.180 1.00 0.00 C ATOM 740 OD1 ASN A 323 -1.665 7.963 5.696 1.00 0.00 O ATOM 741 ND2 ASN A 323 0.354 8.793 5.691 1.00 0.00 N ATOM 0 H ASN A 323 1.562 6.384 5.267 1.00 0.00 H new ATOM 0 HA ASN A 323 -1.074 5.423 4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.711 7.507 3.514 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.001 7.378 3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 323 0.152 9.346 6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 323 1.276 8.842 5.258 1.00 0.00 H new ATOM 748 N ALA A 324 -1.258 4.105 2.815 1.00 0.00 N ATOM 749 CA ALA A 324 -1.310 3.273 1.588 1.00 0.00 C ATOM 750 C ALA A 324 -1.389 4.208 0.389 1.00 0.00 C ATOM 751 O ALA A 324 -1.148 3.827 -0.738 1.00 0.00 O ATOM 752 CB ALA A 324 -2.586 2.440 1.714 1.00 0.00 C ATOM 0 H ALA A 324 -2.068 4.033 3.430 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.440 2.629 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.690 1.799 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.531 1.823 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.448 3.103 1.782 1.00 0.00 H new ATOM 758 N THR A 325 -1.714 5.445 0.640 1.00 0.00 N ATOM 759 CA THR A 325 -1.807 6.434 -0.463 1.00 0.00 C ATOM 760 C THR A 325 -0.406 6.887 -0.865 1.00 0.00 C ATOM 761 O THR A 325 -0.061 6.925 -2.031 1.00 0.00 O ATOM 762 CB THR A 325 -2.607 7.589 0.132 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.508 7.084 1.106 1.00 0.00 O ATOM 764 CG2 THR A 325 -3.391 8.293 -0.972 1.00 0.00 C ATOM 0 H THR A 325 -1.920 5.813 1.569 1.00 0.00 H new ATOM 0 HA THR A 325 -2.278 6.034 -1.361 1.00 0.00 H new ATOM 0 HB THR A 325 -1.926 8.300 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.022 7.824 1.491 1.00 0.00 H new ATOM 0 HG21 THR A 325 -3.961 9.117 -0.544 1.00 0.00 H new ATOM 0 HG22 THR A 325 -2.699 8.680 -1.720 1.00 0.00 H new ATOM 0 HG23 THR A 325 -4.074 7.585 -1.442 1.00 0.00 H new ATOM 772 N ASP A 326 0.408 7.215 0.095 1.00 0.00 N ATOM 773 CA ASP A 326 1.794 7.649 -0.224 1.00 0.00 C ATOM 774 C ASP A 326 2.550 6.488 -0.864 1.00 0.00 C ATOM 775 O ASP A 326 3.174 6.636 -1.894 1.00 0.00 O ATOM 776 CB ASP A 326 2.415 8.023 1.120 1.00 0.00 C ATOM 777 CG ASP A 326 2.382 9.543 1.291 1.00 0.00 C ATOM 778 OD1 ASP A 326 3.213 10.205 0.691 1.00 0.00 O ATOM 779 OD2 ASP A 326 1.527 10.018 2.019 1.00 0.00 O ATOM 0 H ASP A 326 0.174 7.202 1.088 1.00 0.00 H new ATOM 0 HA ASP A 326 1.825 8.485 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 326 1.868 7.543 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.442 7.663 1.171 1.00 0.00 H new ATOM 784 N ILE A 327 2.488 5.330 -0.268 1.00 0.00 N ATOM 785 CA ILE A 327 3.198 4.163 -0.856 1.00 0.00 C ATOM 786 C ILE A 327 2.651 3.882 -2.256 1.00 0.00 C ATOM 787 O ILE A 327 3.365 3.437 -3.126 1.00 0.00 O ATOM 788 CB ILE A 327 2.931 3.000 0.099 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.720 3.226 1.389 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.385 1.685 -0.542 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.187 3.482 1.040 1.00 0.00 C ATOM 0 H ILE A 327 1.979 5.143 0.596 1.00 0.00 H new ATOM 0 HA ILE A 327 4.269 4.333 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 327 1.864 2.946 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.310 4.075 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.635 2.356 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.192 0.860 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.834 1.523 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.452 1.735 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.756 3.644 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.591 2.619 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.261 4.365 0.406 1.00 0.00 H new ATOM 803 N VAL A 328 1.398 4.160 -2.498 1.00 0.00 N ATOM 804 CA VAL A 328 0.863 3.928 -3.868 1.00 0.00 C ATOM 805 C VAL A 328 1.675 4.782 -4.841 1.00 0.00 C ATOM 806 O VAL A 328 2.157 4.310 -5.851 1.00 0.00 O ATOM 807 CB VAL A 328 -0.595 4.386 -3.823 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.087 4.695 -5.240 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.453 3.275 -3.222 1.00 0.00 C ATOM 0 H VAL A 328 0.733 4.531 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 328 0.928 2.888 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.672 5.285 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.126 5.021 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.475 5.486 -5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.010 3.799 -5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.494 3.597 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.371 2.379 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.108 3.055 -2.212 1.00 0.00 H new ATOM 819 N LYS A 329 1.851 6.035 -4.520 1.00 0.00 N ATOM 820 CA LYS A 329 2.656 6.929 -5.402 1.00 0.00 C ATOM 821 C LYS A 329 4.144 6.648 -5.179 1.00 0.00 C ATOM 822 O LYS A 329 4.896 6.443 -6.110 1.00 0.00 O ATOM 823 CB LYS A 329 2.308 8.349 -4.957 1.00 0.00 C ATOM 824 CG LYS A 329 0.790 8.527 -4.951 1.00 0.00 C ATOM 825 CD LYS A 329 0.445 9.906 -4.388 1.00 0.00 C ATOM 826 CE LYS A 329 -0.284 9.742 -3.053 1.00 0.00 C ATOM 827 NZ LYS A 329 -1.424 10.696 -3.120 1.00 0.00 N ATOM 0 H LYS A 329 1.472 6.479 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 329 2.445 6.778 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.710 8.538 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 329 2.767 9.074 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 329 0.396 8.426 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.323 7.748 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 329 1.354 10.492 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 329 -0.182 10.452 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 329 -0.633 8.718 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 329 0.373 9.970 -2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 -1.964 10.655 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 -1.062 11.661 -3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 -2.045 10.440 -3.914 1.00 0.00 H new ATOM 841 N LEU A 330 4.564 6.620 -3.943 1.00 0.00 N ATOM 842 CA LEU A 330 5.994 6.330 -3.642 1.00 0.00 C ATOM 843 C LEU A 330 6.370 4.981 -4.251 1.00 0.00 C ATOM 844 O LEU A 330 7.434 4.804 -4.808 1.00 0.00 O ATOM 845 CB LEU A 330 6.060 6.257 -2.116 1.00 0.00 C ATOM 846 CG LEU A 330 7.387 6.831 -1.625 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.277 8.352 -1.510 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.711 6.241 -0.251 1.00 0.00 C ATOM 0 H LEU A 330 3.976 6.786 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 330 6.676 7.079 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.230 6.813 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 330 5.958 5.223 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 330 8.178 6.578 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.225 8.760 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 330 7.039 8.774 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.488 8.607 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.658 6.647 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 330 6.918 6.498 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 330 7.788 5.157 -0.330 1.00 0.00 H new ATOM 860 N ALA A 331 5.485 4.031 -4.143 1.00 0.00 N ATOM 861 CA ALA A 331 5.745 2.678 -4.702 1.00 0.00 C ATOM 862 C ALA A 331 4.427 2.054 -5.178 1.00 0.00 C ATOM 863 O ALA A 331 3.865 1.210 -4.509 1.00 0.00 O ATOM 864 CB ALA A 331 6.328 1.876 -3.539 1.00 0.00 C ATOM 0 H ALA A 331 4.580 4.137 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 331 6.420 2.700 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.548 0.861 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.246 2.352 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.607 1.842 -2.723 1.00 0.00 H new ATOM 870 N PRO A 332 3.976 2.498 -6.322 1.00 0.00 N ATOM 871 CA PRO A 332 2.705 1.984 -6.896 1.00 0.00 C ATOM 872 C PRO A 332 2.872 0.532 -7.354 1.00 0.00 C ATOM 873 O PRO A 332 2.149 -0.348 -6.931 1.00 0.00 O ATOM 874 CB PRO A 332 2.453 2.904 -8.089 1.00 0.00 C ATOM 875 CG PRO A 332 3.802 3.429 -8.459 1.00 0.00 C ATOM 876 CD PRO A 332 4.601 3.506 -7.184 1.00 0.00 C ATOM 0 HA PRO A 332 1.882 1.984 -6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.999 2.361 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.772 3.714 -7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.288 2.773 -9.181 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.721 4.411 -8.925 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.655 3.287 -7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.551 4.500 -6.739 1.00 0.00 H new ATOM 884 N GLU A 333 3.818 0.276 -8.216 1.00 0.00 N ATOM 885 CA GLU A 333 4.027 -1.119 -8.696 1.00 0.00 C ATOM 886 C GLU A 333 3.973 -2.087 -7.513 1.00 0.00 C ATOM 887 O GLU A 333 3.618 -3.240 -7.656 1.00 0.00 O ATOM 888 CB GLU A 333 5.419 -1.117 -9.331 1.00 0.00 C ATOM 889 CG GLU A 333 5.322 -1.609 -10.777 1.00 0.00 C ATOM 890 CD GLU A 333 4.231 -0.827 -11.511 1.00 0.00 C ATOM 891 OE1 GLU A 333 4.125 0.365 -11.275 1.00 0.00 O ATOM 892 OE2 GLU A 333 3.522 -1.434 -12.297 1.00 0.00 O ATOM 0 H GLU A 333 4.454 0.971 -8.608 1.00 0.00 H new ATOM 0 HA GLU A 333 3.262 -1.436 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.840 -0.112 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 333 6.091 -1.759 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 333 6.279 -1.479 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 333 5.095 -2.675 -10.795 1.00 0.00 H new ATOM 899 N GLN A 334 4.313 -1.623 -6.340 1.00 0.00 N ATOM 900 CA GLN A 334 4.270 -2.513 -5.146 1.00 0.00 C ATOM 901 C GLN A 334 2.854 -2.536 -4.569 1.00 0.00 C ATOM 902 O GLN A 334 2.233 -3.574 -4.466 1.00 0.00 O ATOM 903 CB GLN A 334 5.248 -1.892 -4.148 1.00 0.00 C ATOM 904 CG GLN A 334 6.662 -2.398 -4.437 1.00 0.00 C ATOM 905 CD GLN A 334 7.328 -1.485 -5.467 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.478 -0.302 -5.240 1.00 0.00 O ATOM 907 NE2 GLN A 334 7.738 -1.990 -6.599 1.00 0.00 N ATOM 0 H GLN A 334 4.618 -0.667 -6.158 1.00 0.00 H new ATOM 0 HA GLN A 334 4.538 -3.542 -5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.217 -0.805 -4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 334 4.959 -2.151 -3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.248 -2.416 -3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.625 -3.421 -4.812 1.00 0.00 H new ATOM 0 HE21 GLN A 334 7.612 -2.984 -6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 334 8.185 -1.390 -7.293 1.00 0.00 H new ATOM 916 N VAL A 335 2.334 -1.395 -4.201 1.00 0.00 N ATOM 917 CA VAL A 335 0.953 -1.360 -3.645 1.00 0.00 C ATOM 918 C VAL A 335 0.001 -2.058 -4.619 1.00 0.00 C ATOM 919 O VAL A 335 -0.956 -2.687 -4.219 1.00 0.00 O ATOM 920 CB VAL A 335 0.623 0.128 -3.488 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.889 0.359 -3.564 1.00 0.00 C ATOM 922 CG2 VAL A 335 1.130 0.606 -2.126 1.00 0.00 C ATOM 0 H VAL A 335 2.804 -0.492 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 335 0.858 -1.877 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 335 1.104 0.682 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.101 1.422 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.261 0.016 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.382 -0.197 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.900 1.664 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.643 0.035 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.209 0.460 -2.067 1.00 0.00 H new ATOM 932 N LYS A 336 0.270 -1.973 -5.894 1.00 0.00 N ATOM 933 CA LYS A 336 -0.609 -2.662 -6.880 1.00 0.00 C ATOM 934 C LYS A 336 -0.398 -4.168 -6.740 1.00 0.00 C ATOM 935 O LYS A 336 -1.321 -4.912 -6.474 1.00 0.00 O ATOM 936 CB LYS A 336 -0.143 -2.168 -8.250 1.00 0.00 C ATOM 937 CG LYS A 336 -1.101 -2.676 -9.328 1.00 0.00 C ATOM 938 CD LYS A 336 -2.442 -1.950 -9.202 1.00 0.00 C ATOM 939 CE LYS A 336 -2.350 -0.583 -9.886 1.00 0.00 C ATOM 940 NZ LYS A 336 -2.842 -0.815 -11.273 1.00 0.00 N ATOM 0 H LYS A 336 1.056 -1.459 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.669 -2.456 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.108 -1.079 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.868 -2.521 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.675 -2.507 -10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.246 -3.751 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -3.233 -2.544 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.703 -1.826 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -2.959 0.159 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -1.326 -0.210 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -2.810 0.077 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -2.239 -1.521 -11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -3.821 -1.163 -11.240 1.00 0.00 H new ATOM 954 N HIS A 337 0.819 -4.620 -6.876 1.00 0.00 N ATOM 955 CA HIS A 337 1.081 -6.073 -6.704 1.00 0.00 C ATOM 956 C HIS A 337 0.574 -6.478 -5.322 1.00 0.00 C ATOM 957 O HIS A 337 0.041 -7.552 -5.126 1.00 0.00 O ATOM 958 CB HIS A 337 2.600 -6.228 -6.797 1.00 0.00 C ATOM 959 CG HIS A 337 2.937 -7.637 -7.202 1.00 0.00 C ATOM 960 ND1 HIS A 337 2.706 -8.721 -6.369 1.00 0.00 N ATOM 961 CD2 HIS A 337 3.482 -8.156 -8.350 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.110 -9.826 -7.021 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.592 -9.539 -8.234 1.00 0.00 N ATOM 0 H HIS A 337 1.635 -4.050 -7.097 1.00 0.00 H new ATOM 0 HA HIS A 337 0.586 -6.697 -7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 337 3.004 -5.523 -7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.059 -5.995 -5.837 1.00 0.00 H new ATOM 0 HD2 HIS A 337 3.780 -7.579 -9.213 1.00 0.00 H new ATOM 0 HE1 HIS A 337 3.052 -10.824 -6.613 1.00 0.00 H new ATOM 0 HE2 HIS A 337 3.961 -10.192 -8.925 1.00 0.00 H new ATOM 971 N PHE A 338 0.712 -5.594 -4.367 1.00 0.00 N ATOM 972 CA PHE A 338 0.214 -5.882 -2.996 1.00 0.00 C ATOM 973 C PHE A 338 -1.314 -5.882 -3.019 1.00 0.00 C ATOM 974 O PHE A 338 -1.962 -6.775 -2.510 1.00 0.00 O ATOM 975 CB PHE A 338 0.726 -4.727 -2.138 1.00 0.00 C ATOM 976 CG PHE A 338 0.007 -4.737 -0.815 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.187 -5.943 -0.133 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.468 -3.541 -0.272 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.858 -5.950 1.095 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.138 -3.545 0.955 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.334 -4.751 1.639 1.00 0.00 C ATOM 0 H PHE A 338 1.151 -4.681 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 338 0.549 -6.847 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.801 -4.822 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.561 -3.778 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.181 -6.867 -0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.317 -2.612 -0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -1.009 -6.880 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.504 -2.620 1.375 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.852 -4.756 2.586 1.00 0.00 H new ATOM 991 N GLN A 339 -1.883 -4.878 -3.626 1.00 0.00 N ATOM 992 CA GLN A 339 -3.365 -4.784 -3.721 1.00 0.00 C ATOM 993 C GLN A 339 -3.928 -6.069 -4.326 1.00 0.00 C ATOM 994 O GLN A 339 -5.022 -6.492 -4.008 1.00 0.00 O ATOM 995 CB GLN A 339 -3.609 -3.597 -4.652 1.00 0.00 C ATOM 996 CG GLN A 339 -4.005 -2.368 -3.829 1.00 0.00 C ATOM 997 CD GLN A 339 -5.514 -2.142 -3.941 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.187 -1.952 -2.949 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.076 -2.153 -5.119 1.00 0.00 N ATOM 0 H GLN A 339 -1.377 -4.109 -4.066 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.847 -4.653 -2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.710 -3.385 -5.230 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.397 -3.838 -5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -3.725 -2.511 -2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.468 -1.490 -4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -5.510 -2.313 -5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.081 -2.002 -5.206 1.00 0.00 H new