USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=4 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 294 GLN : amide:sc= -2.76! C(o=-2.8!,f=-6.8!) USER MOD Set 1.2: A 306 GLN : amide:sc= -0.0175 X(o=-2.8,f=-2.8) USER MOD Single : A 293 SER OG : rot 180:sc= -0.0439 USER MOD Single : A 307 TYR OH : rot 150:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -25:sc= 0.261 USER MOD Single : A 323 ASN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 GLN : amide:sc= -6.15 K(o=-6.2,f=-9.6!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.39) USER MOD Single : A 339 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.505 2.051 -0.772 1.00 0.00 N ATOM 134 CA PRO A 287 9.905 0.795 -0.266 1.00 0.00 C ATOM 135 C PRO A 287 10.252 -0.378 -1.189 1.00 0.00 C ATOM 136 O PRO A 287 10.451 -0.209 -2.376 1.00 0.00 O ATOM 137 CB PRO A 287 8.407 1.080 -0.293 1.00 0.00 C ATOM 138 CG PRO A 287 8.228 2.143 -1.332 1.00 0.00 C ATOM 139 CD PRO A 287 9.513 2.928 -1.402 1.00 0.00 C ATOM 0 HA PRO A 287 10.266 0.518 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 287 7.840 0.184 -0.545 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.053 1.418 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 287 7.997 1.698 -2.300 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.394 2.795 -1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 287 9.783 3.159 -2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.429 3.878 -0.874 1.00 0.00 H new ATOM 147 N GLU A 288 10.323 -1.565 -0.653 1.00 0.00 N ATOM 148 CA GLU A 288 10.653 -2.747 -1.498 1.00 0.00 C ATOM 149 C GLU A 288 9.372 -3.493 -1.878 1.00 0.00 C ATOM 150 O GLU A 288 9.228 -3.982 -2.981 1.00 0.00 O ATOM 151 CB GLU A 288 11.544 -3.624 -0.617 1.00 0.00 C ATOM 152 CG GLU A 288 11.852 -4.937 -1.341 1.00 0.00 C ATOM 153 CD GLU A 288 13.265 -4.879 -1.924 1.00 0.00 C ATOM 154 OE1 GLU A 288 14.199 -4.756 -1.148 1.00 0.00 O ATOM 155 OE2 GLU A 288 13.390 -4.958 -3.134 1.00 0.00 O ATOM 0 H GLU A 288 10.167 -1.768 0.334 1.00 0.00 H new ATOM 0 HA GLU A 288 11.148 -2.469 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.471 -3.100 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 288 11.047 -3.828 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 288 11.767 -5.775 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 288 11.126 -5.105 -2.136 1.00 0.00 H new ATOM 162 N ARG A 289 8.439 -3.579 -0.970 1.00 0.00 N ATOM 163 CA ARG A 289 7.161 -4.288 -1.269 1.00 0.00 C ATOM 164 C ARG A 289 6.224 -4.194 -0.063 1.00 0.00 C ATOM 165 O ARG A 289 6.632 -3.827 1.021 1.00 0.00 O ATOM 166 CB ARG A 289 7.561 -5.740 -1.530 1.00 0.00 C ATOM 167 CG ARG A 289 8.136 -6.349 -0.250 1.00 0.00 C ATOM 168 CD ARG A 289 9.322 -7.250 -0.602 1.00 0.00 C ATOM 169 NE ARG A 289 8.711 -8.552 -0.990 1.00 0.00 N ATOM 170 CZ ARG A 289 9.298 -9.309 -1.877 1.00 0.00 C ATOM 171 NH1 ARG A 289 9.631 -8.815 -3.038 1.00 0.00 N ATOM 172 NH2 ARG A 289 9.550 -10.559 -1.604 1.00 0.00 N ATOM 0 H ARG A 289 8.506 -3.188 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 289 6.634 -3.858 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.695 -6.313 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.299 -5.787 -2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.455 -5.559 0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.369 -6.925 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.909 -6.830 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.995 -7.367 0.247 1.00 0.00 H new ATOM 0 HE ARG A 289 7.835 -8.852 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 289 9.433 -7.838 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 289 10.090 -9.406 -3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 289 9.288 -10.946 -0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 289 10.009 -11.150 -2.297 1.00 0.00 H new ATOM 186 N ILE A 290 4.973 -4.520 -0.237 1.00 0.00 N ATOM 187 CA ILE A 290 4.027 -4.441 0.911 1.00 0.00 C ATOM 188 C ILE A 290 3.915 -5.797 1.607 1.00 0.00 C ATOM 189 O ILE A 290 4.078 -6.837 0.999 1.00 0.00 O ATOM 190 CB ILE A 290 2.673 -4.056 0.315 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.854 -2.981 -0.761 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.774 -3.513 1.425 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.239 -1.661 -0.101 1.00 0.00 C ATOM 0 H ILE A 290 4.567 -4.836 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 290 4.367 -3.718 1.652 1.00 0.00 H new ATOM 0 HB ILE A 290 2.218 -4.937 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.626 -3.285 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.931 -2.861 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.806 -3.236 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.634 -4.279 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.240 -2.635 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.368 -0.896 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.452 -1.356 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.173 -1.787 0.447 1.00 0.00 H new ATOM 205 N ILE A 291 3.618 -5.791 2.877 1.00 0.00 N ATOM 206 CA ILE A 291 3.471 -7.076 3.619 1.00 0.00 C ATOM 207 C ILE A 291 2.077 -7.154 4.229 1.00 0.00 C ATOM 208 O ILE A 291 1.503 -8.216 4.368 1.00 0.00 O ATOM 209 CB ILE A 291 4.530 -7.067 4.727 1.00 0.00 C ATOM 210 CG1 ILE A 291 4.889 -5.625 5.130 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.776 -7.792 4.228 1.00 0.00 C ATOM 212 CD1 ILE A 291 5.882 -5.028 4.128 1.00 0.00 C ATOM 0 H ILE A 291 3.470 -4.950 3.435 1.00 0.00 H new ATOM 0 HA ILE A 291 3.603 -7.935 2.961 1.00 0.00 H new ATOM 0 HB ILE A 291 4.130 -7.574 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 291 3.987 -5.015 5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.321 -5.616 6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.535 -7.791 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.521 -8.820 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.164 -7.284 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.128 -4.008 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.790 -5.631 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.435 -5.020 3.134 1.00 0.00 H new ATOM 224 N ASP A 292 1.526 -6.032 4.589 1.00 0.00 N ATOM 225 CA ASP A 292 0.166 -6.034 5.187 1.00 0.00 C ATOM 226 C ASP A 292 -0.472 -4.647 5.054 1.00 0.00 C ATOM 227 O ASP A 292 0.181 -3.687 4.695 1.00 0.00 O ATOM 228 CB ASP A 292 0.378 -6.392 6.658 1.00 0.00 C ATOM 229 CG ASP A 292 -0.975 -6.652 7.321 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.717 -5.700 7.502 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.246 -7.798 7.637 1.00 0.00 O ATOM 0 H ASP A 292 1.959 -5.113 4.495 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.502 -6.738 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.011 -7.276 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.895 -5.580 7.170 1.00 0.00 H new ATOM 236 N SER A 293 -1.740 -4.534 5.341 1.00 0.00 N ATOM 237 CA SER A 293 -2.412 -3.207 5.233 1.00 0.00 C ATOM 238 C SER A 293 -3.206 -2.912 6.509 1.00 0.00 C ATOM 239 O SER A 293 -3.551 -3.807 7.256 1.00 0.00 O ATOM 240 CB SER A 293 -3.352 -3.336 4.034 1.00 0.00 C ATOM 241 OG SER A 293 -3.772 -4.688 3.910 1.00 0.00 O ATOM 0 H SER A 293 -2.339 -5.301 5.645 1.00 0.00 H new ATOM 0 HA SER A 293 -1.700 -2.392 5.106 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.217 -2.685 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.845 -3.016 3.124 1.00 0.00 H new ATOM 0 HG SER A 293 -4.376 -4.774 3.143 1.00 0.00 H new ATOM 247 N GLN A 294 -3.497 -1.666 6.770 1.00 0.00 N ATOM 248 CA GLN A 294 -4.266 -1.328 8.002 1.00 0.00 C ATOM 249 C GLN A 294 -5.249 -0.186 7.729 1.00 0.00 C ATOM 250 O GLN A 294 -4.914 0.977 7.846 1.00 0.00 O ATOM 251 CB GLN A 294 -3.213 -0.894 9.023 1.00 0.00 C ATOM 252 CG GLN A 294 -3.904 -0.277 10.240 1.00 0.00 C ATOM 253 CD GLN A 294 -3.481 1.188 10.379 1.00 0.00 C ATOM 254 OE1 GLN A 294 -2.448 1.584 9.879 1.00 0.00 O ATOM 255 NE2 GLN A 294 -4.242 2.013 11.044 1.00 0.00 N ATOM 0 H GLN A 294 -3.237 -0.871 6.186 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.857 -2.172 8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.613 -1.751 9.328 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.532 -0.172 8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -4.986 -0.345 10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -3.639 -0.830 11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -5.110 1.680 11.464 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -3.969 2.991 11.144 1.00 0.00 H new ATOM 404 N LEU A 305 -6.157 4.907 5.927 1.00 0.00 N ATOM 405 CA LEU A 305 -5.592 3.636 5.388 1.00 0.00 C ATOM 406 C LEU A 305 -4.061 3.675 5.406 1.00 0.00 C ATOM 407 O LEU A 305 -3.450 4.682 5.106 1.00 0.00 O ATOM 408 CB LEU A 305 -6.107 3.559 3.952 1.00 0.00 C ATOM 409 CG LEU A 305 -5.358 2.460 3.198 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.600 1.113 3.880 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.866 2.396 1.756 1.00 0.00 C ATOM 0 HA LEU A 305 -5.889 2.771 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.177 3.352 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.967 4.518 3.452 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.291 2.682 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.065 0.331 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.241 1.156 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.667 0.891 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.333 1.613 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.933 2.175 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.694 3.355 1.267 1.00 0.00 H new ATOM 423 N GLN A 306 -3.440 2.580 5.750 1.00 0.00 N ATOM 424 CA GLN A 306 -1.950 2.540 5.784 1.00 0.00 C ATOM 425 C GLN A 306 -1.455 1.183 5.272 1.00 0.00 C ATOM 426 O GLN A 306 -2.065 0.162 5.512 1.00 0.00 O ATOM 427 CB GLN A 306 -1.580 2.727 7.256 1.00 0.00 C ATOM 428 CG GLN A 306 -2.034 4.111 7.724 1.00 0.00 C ATOM 429 CD GLN A 306 -1.184 4.553 8.917 1.00 0.00 C ATOM 430 OE1 GLN A 306 -1.680 4.682 10.019 1.00 0.00 O ATOM 431 NE2 GLN A 306 0.088 4.795 8.743 1.00 0.00 N ATOM 0 H GLN A 306 -3.902 1.708 6.010 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.498 3.306 5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.052 1.954 7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.503 2.622 7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -1.939 4.830 6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -3.087 4.084 8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 306 0.506 4.687 7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 306 0.663 5.092 9.531 1.00 0.00 H new ATOM 440 N TYR A 307 -0.359 1.166 4.564 1.00 0.00 N ATOM 441 CA TYR A 307 0.170 -0.127 4.037 1.00 0.00 C ATOM 442 C TYR A 307 1.512 -0.461 4.690 1.00 0.00 C ATOM 443 O TYR A 307 2.430 0.335 4.686 1.00 0.00 O ATOM 444 CB TYR A 307 0.377 0.105 2.541 1.00 0.00 C ATOM 445 CG TYR A 307 -0.842 -0.334 1.759 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.069 -0.536 2.406 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.739 -0.538 0.379 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.189 -0.943 1.668 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.858 -0.943 -0.358 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.083 -1.145 0.287 1.00 0.00 C ATOM 451 OH TYR A 307 -4.187 -1.544 -0.439 1.00 0.00 O ATOM 0 H TYR A 307 0.194 1.990 4.327 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.511 -0.953 4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.574 1.161 2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.253 -0.447 2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.151 -0.378 3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.207 -0.383 -0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.135 -1.101 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.776 -1.099 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.121 -1.196 -1.353 1.00 0.00 H new ATOM 461 N LEU A 308 1.645 -1.639 5.232 1.00 0.00 N ATOM 462 CA LEU A 308 2.942 -2.020 5.857 1.00 0.00 C ATOM 463 C LEU A 308 3.972 -2.254 4.750 1.00 0.00 C ATOM 464 O LEU A 308 3.781 -3.085 3.884 1.00 0.00 O ATOM 465 CB LEU A 308 2.657 -3.314 6.617 1.00 0.00 C ATOM 466 CG LEU A 308 3.876 -3.696 7.458 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.109 -2.634 8.533 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.625 -5.048 8.128 1.00 0.00 C ATOM 0 H LEU A 308 0.916 -2.351 5.269 1.00 0.00 H new ATOM 0 HA LEU A 308 3.338 -1.253 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.786 -3.186 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.421 -4.115 5.916 1.00 0.00 H new ATOM 0 HG LEU A 308 4.754 -3.762 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.978 -2.907 9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.284 -1.668 8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.231 -2.568 9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.492 -5.323 8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 308 2.747 -4.979 8.770 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.457 -5.807 7.364 1.00 0.00 H new ATOM 480 N VAL A 309 5.047 -1.516 4.750 1.00 0.00 N ATOM 481 CA VAL A 309 6.062 -1.696 3.673 1.00 0.00 C ATOM 482 C VAL A 309 7.418 -2.102 4.255 1.00 0.00 C ATOM 483 O VAL A 309 7.738 -1.803 5.388 1.00 0.00 O ATOM 484 CB VAL A 309 6.164 -0.329 2.999 1.00 0.00 C ATOM 485 CG1 VAL A 309 6.914 -0.467 1.674 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.758 0.215 2.735 1.00 0.00 C ATOM 0 H VAL A 309 5.266 -0.801 5.443 1.00 0.00 H new ATOM 0 HA VAL A 309 5.776 -2.485 2.977 1.00 0.00 H new ATOM 0 HB VAL A 309 6.704 0.358 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.986 0.509 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.915 -0.854 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.376 -1.154 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.830 1.191 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.218 -0.472 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.223 0.315 3.680 1.00 0.00 H new ATOM 496 N LYS A 310 8.217 -2.774 3.473 1.00 0.00 N ATOM 497 CA LYS A 310 9.562 -3.198 3.957 1.00 0.00 C ATOM 498 C LYS A 310 10.645 -2.410 3.216 1.00 0.00 C ATOM 499 O LYS A 310 11.035 -2.752 2.117 1.00 0.00 O ATOM 500 CB LYS A 310 9.654 -4.687 3.624 1.00 0.00 C ATOM 501 CG LYS A 310 10.728 -5.337 4.497 1.00 0.00 C ATOM 502 CD LYS A 310 10.158 -6.593 5.159 1.00 0.00 C ATOM 503 CE LYS A 310 10.953 -7.818 4.701 1.00 0.00 C ATOM 504 NZ LYS A 310 12.141 -7.862 5.597 1.00 0.00 N ATOM 0 H LYS A 310 7.996 -3.049 2.516 1.00 0.00 H new ATOM 0 HA LYS A 310 9.701 -3.016 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.691 -5.169 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 310 9.896 -4.821 2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.597 -5.595 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.067 -4.634 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 310 10.207 -6.499 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 310 9.107 -6.710 4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 310 10.360 -8.728 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 310 11.250 -7.728 3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 12.736 -8.677 5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 12.690 -6.985 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 11.828 -7.955 6.584 1.00 0.00 H new ATOM 681 N THR A 320 8.037 -0.833 8.380 1.00 0.00 N ATOM 682 CA THR A 320 7.102 -0.079 9.262 1.00 0.00 C ATOM 683 C THR A 320 5.756 0.130 8.566 1.00 0.00 C ATOM 684 O THR A 320 5.447 -0.512 7.582 1.00 0.00 O ATOM 685 CB THR A 320 7.786 1.265 9.517 1.00 0.00 C ATOM 686 OG1 THR A 320 8.072 1.892 8.274 1.00 0.00 O ATOM 687 CG2 THR A 320 9.085 1.035 10.291 1.00 0.00 C ATOM 0 HA THR A 320 6.897 -0.615 10.189 1.00 0.00 H new ATOM 0 HB THR A 320 7.127 1.907 10.102 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.148 1.211 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.574 1.992 10.474 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.861 0.554 11.243 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.747 0.395 9.708 1.00 0.00 H new ATOM 695 N TRP A 321 4.954 1.023 9.074 1.00 0.00 N ATOM 696 CA TRP A 321 3.624 1.273 8.453 1.00 0.00 C ATOM 697 C TRP A 321 3.593 2.645 7.776 1.00 0.00 C ATOM 698 O TRP A 321 4.121 3.614 8.285 1.00 0.00 O ATOM 699 CB TRP A 321 2.636 1.234 9.616 1.00 0.00 C ATOM 700 CG TRP A 321 2.147 -0.163 9.807 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.506 -0.980 10.824 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.220 -0.921 8.979 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.852 -2.191 10.676 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.050 -2.203 9.553 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.517 -0.623 7.798 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.209 -3.155 8.974 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.327 -1.580 7.214 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.480 -2.843 7.801 1.00 0.00 C ATOM 0 H TRP A 321 5.163 1.592 9.894 1.00 0.00 H new ATOM 0 HA TRP A 321 3.388 0.538 7.683 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.116 1.590 10.527 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.797 1.900 9.417 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.191 -0.729 11.621 1.00 0.00 H new ATOM 0 HE1 TRP A 321 1.951 -2.978 11.318 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.627 0.348 7.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.092 -4.127 9.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.862 -1.342 6.307 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.131 -3.575 7.346 1.00 0.00 H new ATOM 719 N GLU A 322 2.968 2.733 6.638 1.00 0.00 N ATOM 720 CA GLU A 322 2.885 4.036 5.924 1.00 0.00 C ATOM 721 C GLU A 322 1.496 4.191 5.302 1.00 0.00 C ATOM 722 O GLU A 322 0.705 3.271 5.301 1.00 0.00 O ATOM 723 CB GLU A 322 3.958 3.967 4.837 1.00 0.00 C ATOM 724 CG GLU A 322 5.276 4.518 5.385 1.00 0.00 C ATOM 725 CD GLU A 322 5.074 5.966 5.838 1.00 0.00 C ATOM 726 OE1 GLU A 322 4.352 6.682 5.165 1.00 0.00 O ATOM 727 OE2 GLU A 322 5.644 6.333 6.853 1.00 0.00 O ATOM 0 H GLU A 322 2.508 1.953 6.168 1.00 0.00 H new ATOM 0 HA GLU A 322 3.041 4.887 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.091 2.937 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.645 4.542 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.618 3.908 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 322 6.049 4.470 4.618 1.00 0.00 H new ATOM 734 N ASN A 323 1.191 5.339 4.768 1.00 0.00 N ATOM 735 CA ASN A 323 -0.146 5.526 4.148 1.00 0.00 C ATOM 736 C ASN A 323 -0.225 4.721 2.853 1.00 0.00 C ATOM 737 O ASN A 323 0.609 4.853 1.978 1.00 0.00 O ATOM 738 CB ASN A 323 -0.249 7.025 3.862 1.00 0.00 C ATOM 739 CG ASN A 323 -0.716 7.754 5.124 1.00 0.00 C ATOM 740 OD1 ASN A 323 -1.264 8.837 5.046 1.00 0.00 O ATOM 741 ND2 ASN A 323 -0.522 7.204 6.291 1.00 0.00 N ATOM 0 H ASN A 323 1.807 6.151 4.734 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.958 5.186 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.718 7.412 3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -0.949 7.203 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -0.830 7.682 7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -0.062 6.296 6.357 1.00 0.00 H new ATOM 748 N ALA A 324 -1.222 3.895 2.711 1.00 0.00 N ATOM 749 CA ALA A 324 -1.342 3.102 1.459 1.00 0.00 C ATOM 750 C ALA A 324 -1.378 4.068 0.285 1.00 0.00 C ATOM 751 O ALA A 324 -1.066 3.726 -0.835 1.00 0.00 O ATOM 752 CB ALA A 324 -2.665 2.345 1.581 1.00 0.00 C ATOM 0 H ALA A 324 -1.954 3.735 3.403 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.513 2.411 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.820 1.737 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.636 1.700 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.484 3.057 1.681 1.00 0.00 H new ATOM 758 N THR A 325 -1.745 5.287 0.557 1.00 0.00 N ATOM 759 CA THR A 325 -1.800 6.315 -0.512 1.00 0.00 C ATOM 760 C THR A 325 -0.376 6.734 -0.884 1.00 0.00 C ATOM 761 O THR A 325 -0.001 6.750 -2.040 1.00 0.00 O ATOM 762 CB THR A 325 -2.581 7.466 0.129 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.966 7.292 -0.126 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.124 8.807 -0.440 1.00 0.00 C ATOM 0 H THR A 325 -2.012 5.617 1.485 1.00 0.00 H new ATOM 0 HA THR A 325 -2.271 5.973 -1.434 1.00 0.00 H new ATOM 0 HB THR A 325 -2.396 7.461 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.469 8.026 0.284 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.690 9.613 0.027 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.062 8.945 -0.238 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.293 8.822 -1.517 1.00 0.00 H new ATOM 772 N ASP A 326 0.419 7.061 0.092 1.00 0.00 N ATOM 773 CA ASP A 326 1.822 7.465 -0.195 1.00 0.00 C ATOM 774 C ASP A 326 2.527 6.339 -0.947 1.00 0.00 C ATOM 775 O ASP A 326 3.051 6.528 -2.026 1.00 0.00 O ATOM 776 CB ASP A 326 2.462 7.681 1.176 1.00 0.00 C ATOM 777 CG ASP A 326 2.194 9.110 1.646 1.00 0.00 C ATOM 778 OD1 ASP A 326 2.737 10.023 1.045 1.00 0.00 O ATOM 779 OD2 ASP A 326 1.449 9.271 2.600 1.00 0.00 O ATOM 0 H ASP A 326 0.159 7.066 1.078 1.00 0.00 H new ATOM 0 HA ASP A 326 1.886 8.361 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.056 6.969 1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.536 7.501 1.120 1.00 0.00 H new ATOM 784 N ILE A 327 2.536 5.163 -0.383 1.00 0.00 N ATOM 785 CA ILE A 327 3.199 4.018 -1.064 1.00 0.00 C ATOM 786 C ILE A 327 2.571 3.799 -2.444 1.00 0.00 C ATOM 787 O ILE A 327 3.227 3.369 -3.369 1.00 0.00 O ATOM 788 CB ILE A 327 2.949 2.816 -0.151 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.746 2.986 1.143 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.394 1.531 -0.851 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.190 3.364 0.807 1.00 0.00 C ATOM 0 H ILE A 327 2.113 4.946 0.519 1.00 0.00 H new ATOM 0 HA ILE A 327 4.264 4.184 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 327 1.885 2.754 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.292 3.758 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.726 2.061 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.214 0.679 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.829 1.405 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.457 1.592 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.758 3.485 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.641 2.576 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.201 4.300 0.249 1.00 0.00 H new ATOM 803 N VAL A 328 1.313 4.107 -2.603 1.00 0.00 N ATOM 804 CA VAL A 328 0.685 3.932 -3.943 1.00 0.00 C ATOM 805 C VAL A 328 1.384 4.874 -4.922 1.00 0.00 C ATOM 806 O VAL A 328 1.723 4.507 -6.027 1.00 0.00 O ATOM 807 CB VAL A 328 -0.786 4.322 -3.758 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.383 4.779 -5.091 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.568 3.113 -3.249 1.00 0.00 C ATOM 0 H VAL A 328 0.699 4.468 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 328 0.768 2.917 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.849 5.139 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.428 5.053 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.829 5.642 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.318 3.968 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.615 3.386 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.494 2.301 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.154 2.787 -2.295 1.00 0.00 H new ATOM 819 N LYS A 329 1.618 6.084 -4.499 1.00 0.00 N ATOM 820 CA LYS A 329 2.316 7.066 -5.376 1.00 0.00 C ATOM 821 C LYS A 329 3.823 6.801 -5.331 1.00 0.00 C ATOM 822 O LYS A 329 4.487 6.757 -6.347 1.00 0.00 O ATOM 823 CB LYS A 329 1.989 8.434 -4.774 1.00 0.00 C ATOM 824 CG LYS A 329 2.865 9.507 -5.422 1.00 0.00 C ATOM 825 CD LYS A 329 2.963 10.714 -4.488 1.00 0.00 C ATOM 826 CE LYS A 329 4.309 10.686 -3.759 1.00 0.00 C ATOM 827 NZ LYS A 329 4.503 12.075 -3.257 1.00 0.00 N ATOM 0 H LYS A 329 1.355 6.437 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 329 2.004 7.002 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 329 0.936 8.668 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 329 2.156 8.417 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 329 3.859 9.108 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 329 2.442 9.808 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 329 2.865 11.638 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 329 2.146 10.697 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 329 4.299 9.968 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 329 5.116 10.392 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 5.406 12.136 -2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 4.515 12.736 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 3.724 12.324 -2.615 1.00 0.00 H new ATOM 841 N LEU A 330 4.361 6.606 -4.156 1.00 0.00 N ATOM 842 CA LEU A 330 5.817 6.323 -4.038 1.00 0.00 C ATOM 843 C LEU A 330 6.119 4.979 -4.693 1.00 0.00 C ATOM 844 O LEU A 330 6.998 4.852 -5.521 1.00 0.00 O ATOM 845 CB LEU A 330 6.072 6.249 -2.536 1.00 0.00 C ATOM 846 CG LEU A 330 7.340 7.029 -2.188 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.007 8.516 -2.058 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.904 6.518 -0.860 1.00 0.00 C ATOM 0 H LEU A 330 3.852 6.631 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 330 6.441 7.075 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.221 6.659 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.177 5.209 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 330 8.079 6.889 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 330 7.912 9.071 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.604 8.882 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.268 8.656 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.808 7.073 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.164 6.658 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.142 5.458 -0.950 1.00 0.00 H new ATOM 860 N ALA A 331 5.374 3.978 -4.324 1.00 0.00 N ATOM 861 CA ALA A 331 5.573 2.627 -4.908 1.00 0.00 C ATOM 862 C ALA A 331 4.232 2.092 -5.413 1.00 0.00 C ATOM 863 O ALA A 331 3.624 1.248 -4.785 1.00 0.00 O ATOM 864 CB ALA A 331 6.093 1.770 -3.754 1.00 0.00 C ATOM 0 H ALA A 331 4.626 4.040 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 331 6.264 2.628 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.266 0.753 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.028 2.189 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.357 1.756 -2.950 1.00 0.00 H new ATOM 870 N PRO A 332 3.812 2.610 -6.534 1.00 0.00 N ATOM 871 CA PRO A 332 2.522 2.188 -7.134 1.00 0.00 C ATOM 872 C PRO A 332 2.617 0.734 -7.603 1.00 0.00 C ATOM 873 O PRO A 332 1.675 -0.025 -7.500 1.00 0.00 O ATOM 874 CB PRO A 332 2.349 3.139 -8.317 1.00 0.00 C ATOM 875 CG PRO A 332 3.736 3.582 -8.651 1.00 0.00 C ATOM 876 CD PRO A 332 4.493 3.621 -7.350 1.00 0.00 C ATOM 0 HA PRO A 332 1.683 2.232 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.879 2.638 -9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.715 3.986 -8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.205 2.893 -9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.727 4.564 -9.125 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.547 3.382 -7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.449 4.607 -6.888 1.00 0.00 H new ATOM 884 N GLU A 333 3.753 0.342 -8.110 1.00 0.00 N ATOM 885 CA GLU A 333 3.915 -1.064 -8.575 1.00 0.00 C ATOM 886 C GLU A 333 3.818 -2.011 -7.379 1.00 0.00 C ATOM 887 O GLU A 333 3.229 -3.072 -7.458 1.00 0.00 O ATOM 888 CB GLU A 333 5.311 -1.120 -9.199 1.00 0.00 C ATOM 889 CG GLU A 333 5.195 -1.490 -10.679 1.00 0.00 C ATOM 890 CD GLU A 333 6.502 -1.147 -11.395 1.00 0.00 C ATOM 891 OE1 GLU A 333 7.549 -1.353 -10.807 1.00 0.00 O ATOM 892 OE2 GLU A 333 6.433 -0.684 -12.522 1.00 0.00 O ATOM 0 H GLU A 333 4.576 0.934 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 333 3.147 -1.363 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.807 -0.155 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.925 -1.854 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.979 -2.553 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.365 -0.950 -11.136 1.00 0.00 H new ATOM 899 N GLN A 334 4.383 -1.629 -6.265 1.00 0.00 N ATOM 900 CA GLN A 334 4.314 -2.500 -5.060 1.00 0.00 C ATOM 901 C GLN A 334 2.880 -2.543 -4.538 1.00 0.00 C ATOM 902 O GLN A 334 2.294 -3.595 -4.396 1.00 0.00 O ATOM 903 CB GLN A 334 5.240 -1.840 -4.036 1.00 0.00 C ATOM 904 CG GLN A 334 6.602 -1.563 -4.677 1.00 0.00 C ATOM 905 CD GLN A 334 7.686 -1.573 -3.598 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.388 -1.560 -2.421 1.00 0.00 O ATOM 907 NE2 GLN A 334 8.943 -1.594 -3.954 1.00 0.00 N ATOM 0 H GLN A 334 4.888 -0.752 -6.139 1.00 0.00 H new ATOM 0 HA GLN A 334 4.613 -3.527 -5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 334 4.799 -0.909 -3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.361 -2.489 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 334 6.820 -2.317 -5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.588 -0.598 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 334 9.193 -1.605 -4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 334 9.674 -1.600 -3.243 1.00 0.00 H new ATOM 916 N VAL A 335 2.303 -1.405 -4.261 1.00 0.00 N ATOM 917 CA VAL A 335 0.901 -1.393 -3.761 1.00 0.00 C ATOM 918 C VAL A 335 0.009 -2.153 -4.745 1.00 0.00 C ATOM 919 O VAL A 335 -0.793 -2.974 -4.354 1.00 0.00 O ATOM 920 CB VAL A 335 0.526 0.093 -3.669 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.987 0.287 -3.822 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.956 0.621 -2.300 1.00 0.00 C ATOM 0 H VAL A 335 2.740 -0.489 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 335 0.780 -1.881 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 335 1.029 0.634 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.227 1.348 -3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.307 -0.095 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.505 -0.254 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.696 1.676 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.445 0.061 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.034 0.503 -2.187 1.00 0.00 H new ATOM 932 N LYS A 336 0.150 -1.905 -6.018 1.00 0.00 N ATOM 933 CA LYS A 336 -0.685 -2.645 -7.004 1.00 0.00 C ATOM 934 C LYS A 336 -0.396 -4.140 -6.872 1.00 0.00 C ATOM 935 O LYS A 336 -1.294 -4.947 -6.737 1.00 0.00 O ATOM 936 CB LYS A 336 -0.252 -2.118 -8.375 1.00 0.00 C ATOM 937 CG LYS A 336 -1.336 -2.430 -9.409 1.00 0.00 C ATOM 938 CD LYS A 336 -2.461 -1.398 -9.299 1.00 0.00 C ATOM 939 CE LYS A 336 -2.082 -0.142 -10.089 1.00 0.00 C ATOM 940 NZ LYS A 336 -3.378 0.456 -10.511 1.00 0.00 N ATOM 0 H LYS A 336 0.801 -1.228 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.755 -2.503 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.081 -1.043 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.691 -2.577 -8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.911 -2.414 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.731 -3.433 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -3.391 -1.816 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.635 -1.144 -8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -1.509 0.552 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -1.463 -0.390 -10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -3.199 1.322 -11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -3.899 -0.224 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -3.943 0.689 -9.670 1.00 0.00 H new ATOM 954 N HIS A 337 0.857 -4.516 -6.881 1.00 0.00 N ATOM 955 CA HIS A 337 1.193 -5.958 -6.720 1.00 0.00 C ATOM 956 C HIS A 337 0.711 -6.413 -5.344 1.00 0.00 C ATOM 957 O HIS A 337 0.273 -7.532 -5.157 1.00 0.00 O ATOM 958 CB HIS A 337 2.718 -6.028 -6.814 1.00 0.00 C ATOM 959 CG HIS A 337 3.128 -7.367 -7.364 1.00 0.00 C ATOM 960 ND1 HIS A 337 2.614 -7.870 -8.549 1.00 0.00 N ATOM 961 CD2 HIS A 337 4.003 -8.320 -6.902 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.177 -9.073 -8.758 1.00 0.00 C ATOM 963 NE2 HIS A 337 4.031 -9.396 -7.784 1.00 0.00 N ATOM 0 H HIS A 337 1.655 -3.891 -6.992 1.00 0.00 H new ATOM 0 HA HIS A 337 0.726 -6.598 -7.469 1.00 0.00 H new ATOM 0 HB2 HIS A 337 3.090 -5.230 -7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.161 -5.877 -5.829 1.00 0.00 H new ATOM 0 HD2 HIS A 337 4.581 -8.245 -5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 337 2.964 -9.702 -9.610 1.00 0.00 H new ATOM 0 HE2 HIS A 337 4.585 -10.249 -7.704 1.00 0.00 H new ATOM 971 N PHE A 338 0.770 -5.529 -4.385 1.00 0.00 N ATOM 972 CA PHE A 338 0.298 -5.862 -3.013 1.00 0.00 C ATOM 973 C PHE A 338 -1.227 -5.956 -3.023 1.00 0.00 C ATOM 974 O PHE A 338 -1.822 -6.780 -2.357 1.00 0.00 O ATOM 975 CB PHE A 338 0.750 -4.680 -2.155 1.00 0.00 C ATOM 976 CG PHE A 338 0.006 -4.688 -0.843 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.242 -5.897 -0.186 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.435 -3.484 -0.286 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.928 -5.902 1.033 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.120 -3.486 0.934 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.368 -4.697 1.593 1.00 0.00 C ATOM 0 H PHE A 338 1.129 -4.581 -4.496 1.00 0.00 H new ATOM 0 HA PHE A 338 0.688 -6.809 -2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.823 -4.739 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.566 -3.744 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.096 -6.827 -0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.247 -2.552 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -1.118 -6.835 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.457 -2.556 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.899 -4.701 2.533 1.00 0.00 H new ATOM 991 N GLN A 339 -1.853 -5.105 -3.786 1.00 0.00 N ATOM 992 CA GLN A 339 -3.336 -5.109 -3.876 1.00 0.00 C ATOM 993 C GLN A 339 -3.805 -6.284 -4.737 1.00 0.00 C ATOM 994 O GLN A 339 -4.860 -6.847 -4.518 1.00 0.00 O ATOM 995 CB GLN A 339 -3.676 -3.783 -4.550 1.00 0.00 C ATOM 996 CG GLN A 339 -4.303 -2.830 -3.529 1.00 0.00 C ATOM 997 CD GLN A 339 -5.815 -3.056 -3.481 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.584 -2.148 -3.726 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.275 -4.237 -3.172 1.00 0.00 N ATOM 0 H GLN A 339 -1.392 -4.398 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.819 -5.216 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.775 -3.337 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.366 -3.951 -5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -3.868 -2.998 -2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -4.088 -1.797 -3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -5.628 -4.999 -2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.281 -4.399 -3.136 1.00 0.00 H new