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 Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 294 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.044) USER MOD Single : A 306 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.097) USER MOD Single : A 307 TYR OH : rot 130:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -39:sc= 0.457 USER MOD Single : A 323 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.047) 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= -1.37! C(o=-1.4!,f=-1.4!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 339 GLN : amide:sc= -0.531 K(o=-0.53,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.838 1.841 -0.376 1.00 0.00 N ATOM 134 CA PRO A 287 10.139 0.618 0.091 1.00 0.00 C ATOM 135 C PRO A 287 10.435 -0.556 -0.847 1.00 0.00 C ATOM 136 O PRO A 287 10.707 -0.375 -2.017 1.00 0.00 O ATOM 137 CB PRO A 287 8.664 1.006 0.026 1.00 0.00 C ATOM 138 CG PRO A 287 8.591 2.095 -0.997 1.00 0.00 C ATOM 139 CD PRO A 287 9.920 2.806 -0.988 1.00 0.00 C ATOM 0 HA PRO A 287 10.449 0.298 1.086 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.045 0.155 -0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.304 1.351 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.382 1.682 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.783 2.788 -0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.236 3.073 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.873 3.731 -0.414 1.00 0.00 H new ATOM 147 N GLU A 288 10.387 -1.760 -0.343 1.00 0.00 N ATOM 148 CA GLU A 288 10.669 -2.942 -1.207 1.00 0.00 C ATOM 149 C GLU A 288 9.361 -3.622 -1.624 1.00 0.00 C ATOM 150 O GLU A 288 9.244 -4.150 -2.712 1.00 0.00 O ATOM 151 CB GLU A 288 11.504 -3.875 -0.331 1.00 0.00 C ATOM 152 CG GLU A 288 12.522 -4.619 -1.198 1.00 0.00 C ATOM 153 CD GLU A 288 13.452 -5.438 -0.300 1.00 0.00 C ATOM 154 OE1 GLU A 288 13.650 -5.037 0.834 1.00 0.00 O ATOM 155 OE2 GLU A 288 13.948 -6.450 -0.765 1.00 0.00 O ATOM 0 H GLU A 288 10.165 -1.976 0.629 1.00 0.00 H new ATOM 0 HA GLU A 288 11.187 -2.669 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.018 -3.302 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.856 -4.588 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 288 12.008 -5.274 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.101 -3.909 -1.789 1.00 0.00 H new ATOM 162 N ARG A 289 8.380 -3.614 -0.765 1.00 0.00 N ATOM 163 CA ARG A 289 7.079 -4.261 -1.106 1.00 0.00 C ATOM 164 C ARG A 289 6.131 -4.180 0.093 1.00 0.00 C ATOM 165 O ARG A 289 6.533 -3.834 1.187 1.00 0.00 O ATOM 166 CB ARG A 289 7.427 -5.718 -1.424 1.00 0.00 C ATOM 167 CG ARG A 289 8.319 -6.293 -0.319 1.00 0.00 C ATOM 168 CD ARG A 289 9.076 -7.511 -0.856 1.00 0.00 C ATOM 169 NE ARG A 289 9.737 -7.034 -2.102 1.00 0.00 N ATOM 170 CZ ARG A 289 10.010 -7.877 -3.060 1.00 0.00 C ATOM 171 NH1 ARG A 289 9.066 -8.272 -3.871 1.00 0.00 N ATOM 172 NH2 ARG A 289 11.227 -8.327 -3.207 1.00 0.00 N ATOM 0 H ARG A 289 8.422 -3.187 0.160 1.00 0.00 H new ATOM 0 HA ARG A 289 6.579 -3.776 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.515 -6.308 -1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 289 7.939 -5.778 -2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 289 9.024 -5.536 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.713 -6.578 0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.808 -7.871 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 289 8.397 -8.339 -1.061 1.00 0.00 H new ATOM 0 HE ARG A 289 9.976 -6.048 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 289 8.115 -7.922 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 289 9.280 -8.931 -4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 289 11.964 -8.020 -2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 289 11.440 -8.986 -3.956 1.00 0.00 H new ATOM 186 N ILE A 290 4.878 -4.494 -0.095 1.00 0.00 N ATOM 187 CA ILE A 290 3.924 -4.426 1.051 1.00 0.00 C ATOM 188 C ILE A 290 3.812 -5.789 1.734 1.00 0.00 C ATOM 189 O ILE A 290 3.932 -6.823 1.108 1.00 0.00 O ATOM 190 CB ILE A 290 2.566 -4.034 0.459 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.745 -3.034 -0.687 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.716 -3.392 1.556 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.468 -1.791 -0.177 1.00 0.00 C ATOM 0 H ILE A 290 4.475 -4.792 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 290 4.262 -3.707 1.797 1.00 0.00 H new ATOM 0 HB ILE A 290 2.077 -4.927 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.315 -3.491 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.773 -2.759 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.747 -3.109 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.572 -4.104 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.222 -2.505 1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.594 -1.082 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.881 -1.329 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.446 -2.073 0.212 1.00 0.00 H new ATOM 205 N ILE A 291 3.566 -5.796 3.014 1.00 0.00 N ATOM 206 CA ILE A 291 3.427 -7.090 3.743 1.00 0.00 C ATOM 207 C ILE A 291 2.052 -7.162 4.397 1.00 0.00 C ATOM 208 O ILE A 291 1.483 -8.224 4.565 1.00 0.00 O ATOM 209 CB ILE A 291 4.523 -7.109 4.814 1.00 0.00 C ATOM 210 CG1 ILE A 291 4.896 -5.676 5.236 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.750 -7.822 4.257 1.00 0.00 C ATOM 212 CD1 ILE A 291 5.845 -5.053 4.207 1.00 0.00 C ATOM 0 H ILE A 291 3.455 -4.961 3.589 1.00 0.00 H new ATOM 0 HA ILE A 291 3.526 -7.941 3.069 1.00 0.00 H new ATOM 0 HB ILE A 291 4.154 -7.638 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 291 3.995 -5.069 5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.370 -5.690 6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.535 -7.840 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.485 -8.844 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.109 -7.293 3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.102 -4.040 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.753 -5.653 4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.356 -5.023 3.233 1.00 0.00 H new ATOM 224 N ASP A 292 1.512 -6.037 4.765 1.00 0.00 N ATOM 225 CA ASP A 292 0.174 -6.036 5.405 1.00 0.00 C ATOM 226 C ASP A 292 -0.487 -4.665 5.233 1.00 0.00 C ATOM 227 O ASP A 292 0.120 -3.732 4.747 1.00 0.00 O ATOM 228 CB ASP A 292 0.438 -6.326 6.883 1.00 0.00 C ATOM 229 CG ASP A 292 -0.892 -6.399 7.636 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.766 -7.122 7.187 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.013 -5.732 8.650 1.00 0.00 O ATOM 0 H ASP A 292 1.941 -5.119 4.650 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.498 -6.772 4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 292 0.980 -7.266 6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 292 1.067 -5.546 7.311 1.00 0.00 H new ATOM 236 N SER A 293 -1.722 -4.534 5.628 1.00 0.00 N ATOM 237 CA SER A 293 -2.409 -3.218 5.483 1.00 0.00 C ATOM 238 C SER A 293 -3.147 -2.859 6.774 1.00 0.00 C ATOM 239 O SER A 293 -3.612 -3.718 7.496 1.00 0.00 O ATOM 240 CB SER A 293 -3.397 -3.407 4.333 1.00 0.00 C ATOM 241 OG SER A 293 -3.942 -4.717 4.391 1.00 0.00 O ATOM 0 H SER A 293 -2.285 -5.277 6.043 1.00 0.00 H new ATOM 0 HA SER A 293 -1.707 -2.408 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.194 -2.666 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.895 -3.252 3.378 1.00 0.00 H new ATOM 0 HG SER A 293 -4.577 -4.840 3.655 1.00 0.00 H new ATOM 247 N GLN A 294 -3.257 -1.592 7.067 1.00 0.00 N ATOM 248 CA GLN A 294 -3.963 -1.170 8.310 1.00 0.00 C ATOM 249 C GLN A 294 -4.986 -0.078 7.986 1.00 0.00 C ATOM 250 O GLN A 294 -4.724 1.098 8.144 1.00 0.00 O ATOM 251 CB GLN A 294 -2.863 -0.626 9.223 1.00 0.00 C ATOM 252 CG GLN A 294 -3.442 -0.351 10.611 1.00 0.00 C ATOM 253 CD GLN A 294 -3.049 1.059 11.057 1.00 0.00 C ATOM 254 OE1 GLN A 294 -3.848 1.771 11.632 1.00 0.00 O ATOM 255 NE2 GLN A 294 -1.843 1.494 10.815 1.00 0.00 N ATOM 0 H GLN A 294 -2.888 -0.830 6.498 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.510 -1.989 8.778 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.046 -1.344 9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.447 0.290 8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -4.527 -0.448 10.590 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -3.070 -1.087 11.324 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -1.172 0.896 10.332 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -1.571 2.432 11.109 1.00 0.00 H new ATOM 404 N LEU A 305 -6.073 5.006 6.024 1.00 0.00 N ATOM 405 CA LEU A 305 -5.515 3.748 5.454 1.00 0.00 C ATOM 406 C LEU A 305 -3.986 3.748 5.538 1.00 0.00 C ATOM 407 O LEU A 305 -3.338 4.745 5.281 1.00 0.00 O ATOM 408 CB LEU A 305 -5.969 3.740 3.995 1.00 0.00 C ATOM 409 CG LEU A 305 -5.224 2.641 3.240 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.449 1.298 3.935 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.747 2.567 1.804 1.00 0.00 C ATOM 0 HA LEU A 305 -5.858 2.867 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.044 3.571 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.773 4.709 3.536 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.158 2.867 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -4.917 0.515 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.076 1.351 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.515 1.069 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.216 1.783 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.813 2.341 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.584 3.524 1.308 1.00 0.00 H new ATOM 423 N GLN A 306 -3.406 2.634 5.892 1.00 0.00 N ATOM 424 CA GLN A 306 -1.920 2.560 5.991 1.00 0.00 C ATOM 425 C GLN A 306 -1.429 1.193 5.498 1.00 0.00 C ATOM 426 O GLN A 306 -1.993 0.169 5.827 1.00 0.00 O ATOM 427 CB GLN A 306 -1.614 2.740 7.479 1.00 0.00 C ATOM 428 CG GLN A 306 -2.133 4.101 7.948 1.00 0.00 C ATOM 429 CD GLN A 306 -1.306 4.582 9.142 1.00 0.00 C ATOM 430 OE1 GLN A 306 -1.853 4.992 10.147 1.00 0.00 O ATOM 431 NE2 GLN A 306 -0.004 4.551 9.074 1.00 0.00 N ATOM 0 H GLN A 306 -3.898 1.770 6.118 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.423 3.315 5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.082 1.942 8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.540 2.670 7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -2.072 4.825 7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -3.184 4.024 8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 306 0.455 4.207 8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 306 0.556 4.871 9.864 1.00 0.00 H new ATOM 440 N TYR A 307 -0.389 1.171 4.707 1.00 0.00 N ATOM 441 CA TYR A 307 0.132 -0.131 4.191 1.00 0.00 C ATOM 442 C TYR A 307 1.489 -0.455 4.824 1.00 0.00 C ATOM 443 O TYR A 307 2.396 0.353 4.811 1.00 0.00 O ATOM 444 CB TYR A 307 0.304 0.078 2.685 1.00 0.00 C ATOM 445 CG TYR A 307 -0.948 -0.338 1.949 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.160 -0.483 2.636 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.893 -0.578 0.572 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.314 -0.866 1.944 1.00 0.00 C ATOM 449 CE2 TYR A 307 -2.048 -0.962 -0.121 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.258 -1.106 0.565 1.00 0.00 C ATOM 451 OH TYR A 307 -4.398 -1.482 -0.117 1.00 0.00 O ATOM 0 H TYR A 307 0.122 1.997 4.396 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.541 -0.956 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.523 1.126 2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.154 -0.502 2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.204 -0.299 3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.042 -0.467 0.042 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.249 -0.977 2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -2.004 -1.147 -1.184 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.508 -0.914 -0.908 1.00 0.00 H new ATOM 461 N LEU A 308 1.644 -1.635 5.358 1.00 0.00 N ATOM 462 CA LEU A 308 2.954 -2.006 5.965 1.00 0.00 C ATOM 463 C LEU A 308 3.972 -2.246 4.847 1.00 0.00 C ATOM 464 O LEU A 308 3.750 -3.046 3.961 1.00 0.00 O ATOM 465 CB LEU A 308 2.687 -3.296 6.740 1.00 0.00 C ATOM 466 CG LEU A 308 3.911 -3.651 7.585 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.042 -2.655 8.739 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.745 -5.062 8.151 1.00 0.00 C ATOM 0 H LEU A 308 0.924 -2.356 5.401 1.00 0.00 H new ATOM 0 HA LEU A 308 3.355 -1.229 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.814 -3.173 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.463 -4.108 6.048 1.00 0.00 H new ATOM 0 HG LEU A 308 4.806 -3.608 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.915 -2.908 9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.157 -1.648 8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.147 -2.698 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.617 -5.317 8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 308 2.850 -5.102 8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.650 -5.774 7.331 1.00 0.00 H new ATOM 480 N VAL A 309 5.076 -1.551 4.867 1.00 0.00 N ATOM 481 CA VAL A 309 6.086 -1.739 3.786 1.00 0.00 C ATOM 482 C VAL A 309 7.392 -2.304 4.349 1.00 0.00 C ATOM 483 O VAL A 309 7.700 -2.148 5.514 1.00 0.00 O ATOM 484 CB VAL A 309 6.329 -0.342 3.213 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.003 -0.467 1.845 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.999 0.397 3.057 1.00 0.00 C ATOM 0 H VAL A 309 5.322 -0.865 5.580 1.00 0.00 H new ATOM 0 HA VAL A 309 5.734 -2.443 3.032 1.00 0.00 H new ATOM 0 HB VAL A 309 6.972 0.218 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.178 0.527 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.955 -0.987 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.357 -1.030 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 309 5.181 1.391 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.350 -0.160 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.517 0.487 4.030 1.00 0.00 H new ATOM 496 N LYS A 310 8.166 -2.943 3.516 1.00 0.00 N ATOM 497 CA LYS A 310 9.465 -3.509 3.977 1.00 0.00 C ATOM 498 C LYS A 310 10.616 -2.728 3.339 1.00 0.00 C ATOM 499 O LYS A 310 11.147 -3.109 2.315 1.00 0.00 O ATOM 500 CB LYS A 310 9.462 -4.959 3.493 1.00 0.00 C ATOM 501 CG LYS A 310 9.624 -5.899 4.690 1.00 0.00 C ATOM 502 CD LYS A 310 11.109 -6.059 5.017 1.00 0.00 C ATOM 503 CE LYS A 310 11.381 -7.497 5.463 1.00 0.00 C ATOM 504 NZ LYS A 310 12.834 -7.711 5.209 1.00 0.00 N ATOM 0 H LYS A 310 7.953 -3.098 2.531 1.00 0.00 H new ATOM 0 HA LYS A 310 9.591 -3.449 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.531 -5.177 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.272 -5.117 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 310 9.092 -5.500 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 310 9.184 -6.870 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 310 11.713 -5.818 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 310 11.396 -5.362 5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 310 11.140 -7.636 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 310 10.773 -8.206 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 13.097 -8.677 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 13.033 -7.579 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 13.388 -7.026 5.762 1.00 0.00 H new ATOM 681 N THR A 320 7.970 -0.951 8.423 1.00 0.00 N ATOM 682 CA THR A 320 7.085 -0.193 9.355 1.00 0.00 C ATOM 683 C THR A 320 5.717 0.044 8.710 1.00 0.00 C ATOM 684 O THR A 320 5.324 -0.651 7.797 1.00 0.00 O ATOM 685 CB THR A 320 7.805 1.134 9.594 1.00 0.00 C ATOM 686 OG1 THR A 320 8.191 1.693 8.346 1.00 0.00 O ATOM 687 CG2 THR A 320 9.045 0.896 10.457 1.00 0.00 C ATOM 0 HA THR A 320 6.907 -0.732 10.286 1.00 0.00 H new ATOM 0 HB THR A 320 7.136 1.824 10.109 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.502 0.980 7.750 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.557 1.843 10.627 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.746 0.469 11.414 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.717 0.206 9.946 1.00 0.00 H new ATOM 695 N TRP A 321 4.987 1.019 9.182 1.00 0.00 N ATOM 696 CA TRP A 321 3.643 1.293 8.598 1.00 0.00 C ATOM 697 C TRP A 321 3.614 2.670 7.927 1.00 0.00 C ATOM 698 O TRP A 321 4.085 3.649 8.471 1.00 0.00 O ATOM 699 CB TRP A 321 2.684 1.266 9.789 1.00 0.00 C ATOM 700 CG TRP A 321 2.175 -0.124 9.992 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.488 -0.918 11.041 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.274 -0.898 9.147 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.833 -2.128 10.898 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.073 -2.164 9.745 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.616 -0.626 7.932 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.248 -3.127 9.161 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.213 -1.594 7.342 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.397 -2.841 7.955 1.00 0.00 C ATOM 0 H TRP A 321 5.263 1.636 9.946 1.00 0.00 H new ATOM 0 HA TRP A 321 3.376 0.564 7.833 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.195 1.612 10.688 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.851 1.947 9.614 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.143 -0.651 11.857 1.00 0.00 H new ATOM 0 HE1 TRP A 321 1.903 -2.899 11.562 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.750 0.332 7.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.109 -4.086 9.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.712 -1.376 6.409 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.037 -3.580 7.496 1.00 0.00 H new ATOM 719 N GLU A 322 3.055 2.748 6.753 1.00 0.00 N ATOM 720 CA GLU A 322 2.978 4.056 6.040 1.00 0.00 C ATOM 721 C GLU A 322 1.602 4.203 5.390 1.00 0.00 C ATOM 722 O GLU A 322 0.881 3.240 5.228 1.00 0.00 O ATOM 723 CB GLU A 322 4.068 3.992 4.968 1.00 0.00 C ATOM 724 CG GLU A 322 5.425 4.327 5.591 1.00 0.00 C ATOM 725 CD GLU A 322 5.338 5.668 6.321 1.00 0.00 C ATOM 726 OE1 GLU A 322 4.543 6.497 5.907 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.068 5.846 7.282 1.00 0.00 O ATOM 0 H GLU A 322 2.646 1.959 6.253 1.00 0.00 H new ATOM 0 HA GLU A 322 3.118 4.905 6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.097 2.997 4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.843 4.693 4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.721 3.542 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 322 6.191 4.372 4.817 1.00 0.00 H new ATOM 734 N ASN A 323 1.229 5.391 5.007 1.00 0.00 N ATOM 735 CA ASN A 323 -0.098 5.568 4.362 1.00 0.00 C ATOM 736 C ASN A 323 -0.131 4.781 3.053 1.00 0.00 C ATOM 737 O ASN A 323 0.779 4.860 2.250 1.00 0.00 O ATOM 738 CB ASN A 323 -0.218 7.070 4.094 1.00 0.00 C ATOM 739 CG ASN A 323 -0.671 7.785 5.369 1.00 0.00 C ATOM 740 OD1 ASN A 323 -0.131 8.813 5.728 1.00 0.00 O ATOM 741 ND2 ASN A 323 -1.649 7.283 6.074 1.00 0.00 N ATOM 0 H ASN A 323 1.782 6.241 5.112 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.920 5.208 4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.741 7.468 3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -0.932 7.250 3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -1.959 7.754 6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -2.103 6.420 5.774 1.00 0.00 H new ATOM 748 N ALA A 324 -1.169 4.029 2.819 1.00 0.00 N ATOM 749 CA ALA A 324 -1.241 3.256 1.550 1.00 0.00 C ATOM 750 C ALA A 324 -1.272 4.236 0.386 1.00 0.00 C ATOM 751 O ALA A 324 -1.006 3.893 -0.745 1.00 0.00 O ATOM 752 CB ALA A 324 -2.547 2.466 1.628 1.00 0.00 C ATOM 0 H ALA A 324 -1.965 3.917 3.447 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.390 2.590 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.667 1.871 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.522 1.806 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.385 3.157 1.722 1.00 0.00 H new ATOM 758 N THR A 325 -1.585 5.465 0.672 1.00 0.00 N ATOM 759 CA THR A 325 -1.629 6.495 -0.396 1.00 0.00 C ATOM 760 C THR A 325 -0.202 6.905 -0.762 1.00 0.00 C ATOM 761 O THR A 325 0.155 6.991 -1.920 1.00 0.00 O ATOM 762 CB THR A 325 -2.405 7.651 0.240 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.793 7.469 0.007 1.00 0.00 O ATOM 764 CG2 THR A 325 -1.959 8.986 -0.354 1.00 0.00 C ATOM 0 H THR A 325 -1.814 5.802 1.607 1.00 0.00 H new ATOM 0 HA THR A 325 -2.099 6.155 -1.319 1.00 0.00 H new ATOM 0 HB THR A 325 -2.207 7.662 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.293 8.207 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.521 9.797 0.110 1.00 0.00 H new ATOM 0 HG22 THR A 325 -0.895 9.130 -0.168 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.143 8.986 -1.428 1.00 0.00 H new ATOM 772 N ASP A 326 0.617 7.144 0.221 1.00 0.00 N ATOM 773 CA ASP A 326 2.023 7.531 -0.067 1.00 0.00 C ATOM 774 C ASP A 326 2.726 6.374 -0.770 1.00 0.00 C ATOM 775 O ASP A 326 3.304 6.535 -1.824 1.00 0.00 O ATOM 776 CB ASP A 326 2.657 7.799 1.297 1.00 0.00 C ATOM 777 CG ASP A 326 2.652 9.303 1.581 1.00 0.00 C ATOM 778 OD1 ASP A 326 1.620 9.920 1.380 1.00 0.00 O ATOM 779 OD2 ASP A 326 3.681 9.810 1.996 1.00 0.00 O ATOM 0 H ASP A 326 0.374 7.088 1.210 1.00 0.00 H new ATOM 0 HA ASP A 326 2.096 8.404 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.106 7.270 2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.678 7.419 1.315 1.00 0.00 H new ATOM 784 N ILE A 327 2.667 5.202 -0.199 1.00 0.00 N ATOM 785 CA ILE A 327 3.323 4.035 -0.844 1.00 0.00 C ATOM 786 C ILE A 327 2.724 3.814 -2.233 1.00 0.00 C ATOM 787 O ILE A 327 3.381 3.329 -3.131 1.00 0.00 O ATOM 788 CB ILE A 327 3.033 2.852 0.078 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.822 3.025 1.375 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.458 1.548 -0.602 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.299 3.239 1.041 1.00 0.00 C ATOM 0 H ILE A 327 2.194 5.005 0.683 1.00 0.00 H new ATOM 0 HA ILE A 327 4.395 4.175 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 327 1.965 2.813 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.437 3.875 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.704 2.145 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.249 0.708 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.902 1.425 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.526 1.582 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.866 3.363 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.678 2.375 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.407 4.132 0.426 1.00 0.00 H new ATOM 803 N VAL A 328 1.489 4.187 -2.431 1.00 0.00 N ATOM 804 CA VAL A 328 0.886 4.017 -3.781 1.00 0.00 C ATOM 805 C VAL A 328 1.679 4.883 -4.758 1.00 0.00 C ATOM 806 O VAL A 328 2.136 4.429 -5.787 1.00 0.00 O ATOM 807 CB VAL A 328 -0.560 4.509 -3.644 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.065 5.054 -4.985 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.446 3.342 -3.215 1.00 0.00 C ATOM 0 H VAL A 328 0.878 4.597 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 328 0.905 2.990 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.596 5.304 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.093 5.400 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.435 5.885 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.027 4.265 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.476 3.685 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.397 2.553 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.099 2.954 -2.257 1.00 0.00 H new ATOM 819 N LYS A 329 1.865 6.127 -4.417 1.00 0.00 N ATOM 820 CA LYS A 329 2.651 7.036 -5.296 1.00 0.00 C ATOM 821 C LYS A 329 4.140 6.710 -5.152 1.00 0.00 C ATOM 822 O LYS A 329 4.853 6.569 -6.125 1.00 0.00 O ATOM 823 CB LYS A 329 2.352 8.443 -4.780 1.00 0.00 C ATOM 824 CG LYS A 329 1.209 9.054 -5.592 1.00 0.00 C ATOM 825 CD LYS A 329 0.747 10.351 -4.925 1.00 0.00 C ATOM 826 CE LYS A 329 1.756 11.464 -5.219 1.00 0.00 C ATOM 827 NZ LYS A 329 1.219 12.161 -6.420 1.00 0.00 N ATOM 0 H LYS A 329 1.505 6.555 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 329 2.394 6.936 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.082 8.405 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 329 3.242 9.067 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 329 1.539 9.254 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.379 8.351 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.239 10.632 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.653 10.206 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 329 1.848 12.147 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 329 2.749 11.057 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 1.857 12.939 -6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 1.149 11.488 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 0.276 12.544 -6.206 1.00 0.00 H new ATOM 841 N LEU A 330 4.607 6.571 -3.939 1.00 0.00 N ATOM 842 CA LEU A 330 6.040 6.231 -3.722 1.00 0.00 C ATOM 843 C LEU A 330 6.340 4.888 -4.383 1.00 0.00 C ATOM 844 O LEU A 330 7.258 4.750 -5.168 1.00 0.00 O ATOM 845 CB LEU A 330 6.187 6.116 -2.206 1.00 0.00 C ATOM 846 CG LEU A 330 7.526 6.707 -1.767 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.384 8.221 -1.594 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.945 6.080 -0.436 1.00 0.00 C ATOM 0 H LEU A 330 4.055 6.679 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 330 6.721 6.970 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.369 6.640 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.125 5.071 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 330 8.282 6.498 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.339 8.643 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 330 7.083 8.669 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.629 8.431 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.900 6.500 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.188 6.291 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.045 5.001 -0.557 1.00 0.00 H new ATOM 860 N ALA A 331 5.551 3.901 -4.068 1.00 0.00 N ATOM 861 CA ALA A 331 5.742 2.553 -4.663 1.00 0.00 C ATOM 862 C ALA A 331 4.386 1.996 -5.105 1.00 0.00 C ATOM 863 O ALA A 331 3.791 1.192 -4.416 1.00 0.00 O ATOM 864 CB ALA A 331 6.334 1.702 -3.540 1.00 0.00 C ATOM 0 H ALA A 331 4.771 3.973 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 331 6.391 2.567 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.504 0.688 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.280 2.135 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.640 1.675 -2.700 1.00 0.00 H new ATOM 870 N PRO A 332 3.939 2.456 -6.242 1.00 0.00 N ATOM 871 CA PRO A 332 2.631 2.011 -6.786 1.00 0.00 C ATOM 872 C PRO A 332 2.706 0.540 -7.199 1.00 0.00 C ATOM 873 O PRO A 332 1.879 -0.265 -6.817 1.00 0.00 O ATOM 874 CB PRO A 332 2.421 2.914 -8.000 1.00 0.00 C ATOM 875 CG PRO A 332 3.796 3.344 -8.396 1.00 0.00 C ATOM 876 CD PRO A 332 4.603 3.418 -7.127 1.00 0.00 C ATOM 0 HA PRO A 332 1.815 2.084 -6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.925 2.379 -8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.794 3.771 -7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.238 2.635 -9.096 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.771 4.312 -8.897 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.646 3.152 -7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.596 4.423 -6.705 1.00 0.00 H new ATOM 884 N GLU A 333 3.695 0.180 -7.970 1.00 0.00 N ATOM 885 CA GLU A 333 3.821 -1.242 -8.398 1.00 0.00 C ATOM 886 C GLU A 333 3.717 -2.158 -7.177 1.00 0.00 C ATOM 887 O GLU A 333 3.100 -3.204 -7.224 1.00 0.00 O ATOM 888 CB GLU A 333 5.208 -1.347 -9.033 1.00 0.00 C ATOM 889 CG GLU A 333 5.073 -1.841 -10.475 1.00 0.00 C ATOM 890 CD GLU A 333 5.579 -0.762 -11.435 1.00 0.00 C ATOM 891 OE1 GLU A 333 6.322 0.096 -10.991 1.00 0.00 O ATOM 892 OE2 GLU A 333 5.213 -0.814 -12.598 1.00 0.00 O ATOM 0 H GLU A 333 4.419 0.807 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 333 3.037 -1.540 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.702 -0.376 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.831 -2.033 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 333 5.644 -2.760 -10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.032 -2.077 -10.693 1.00 0.00 H new ATOM 899 N GLN A 334 4.310 -1.768 -6.080 1.00 0.00 N ATOM 900 CA GLN A 334 4.239 -2.612 -4.855 1.00 0.00 C ATOM 901 C GLN A 334 2.815 -2.602 -4.302 1.00 0.00 C ATOM 902 O GLN A 334 2.197 -3.635 -4.141 1.00 0.00 O ATOM 903 CB GLN A 334 5.205 -1.963 -3.864 1.00 0.00 C ATOM 904 CG GLN A 334 6.621 -2.483 -4.118 1.00 0.00 C ATOM 905 CD GLN A 334 6.949 -2.364 -5.607 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.292 -1.299 -6.082 1.00 0.00 O ATOM 907 NE2 GLN A 334 6.856 -3.418 -6.370 1.00 0.00 N ATOM 0 H GLN A 334 4.840 -0.902 -5.981 1.00 0.00 H new ATOM 0 HA GLN A 334 4.502 -3.652 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.179 -0.879 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 334 4.901 -2.189 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.340 -1.913 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.701 -3.522 -3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 334 6.568 -4.312 -5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 334 7.071 -3.348 -7.365 1.00 0.00 H new ATOM 916 N VAL A 335 2.283 -1.445 -4.017 1.00 0.00 N ATOM 917 CA VAL A 335 0.893 -1.385 -3.486 1.00 0.00 C ATOM 918 C VAL A 335 -0.052 -2.080 -4.470 1.00 0.00 C ATOM 919 O VAL A 335 -0.901 -2.852 -4.079 1.00 0.00 O ATOM 920 CB VAL A 335 0.589 0.114 -3.342 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.904 0.394 -3.534 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.999 0.565 -1.939 1.00 0.00 C ATOM 0 H VAL A 335 2.748 -0.544 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 335 0.768 -1.893 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 335 1.146 0.658 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.091 1.463 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.210 0.070 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.476 -0.151 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.789 1.628 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.436 0.000 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.065 0.388 -1.797 1.00 0.00 H new ATOM 932 N LYS A 336 0.099 -1.837 -5.744 1.00 0.00 N ATOM 933 CA LYS A 336 -0.786 -2.523 -6.729 1.00 0.00 C ATOM 934 C LYS A 336 -0.548 -4.029 -6.625 1.00 0.00 C ATOM 935 O LYS A 336 -1.473 -4.809 -6.514 1.00 0.00 O ATOM 936 CB LYS A 336 -0.355 -1.995 -8.098 1.00 0.00 C ATOM 937 CG LYS A 336 -1.477 -2.229 -9.112 1.00 0.00 C ATOM 938 CD LYS A 336 -2.385 -0.998 -9.160 1.00 0.00 C ATOM 939 CE LYS A 336 -3.539 -1.253 -10.132 1.00 0.00 C ATOM 940 NZ LYS A 336 -4.763 -1.243 -9.283 1.00 0.00 N ATOM 0 H LYS A 336 0.789 -1.200 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.846 -2.338 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.125 -0.932 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.555 -2.499 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -1.056 -2.422 -10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -2.055 -3.110 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -2.774 -0.781 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -1.815 -0.125 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -3.585 -0.482 -10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -3.421 -2.208 -10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -5.599 -1.411 -9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -4.693 -1.991 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -4.852 -0.319 -8.814 1.00 0.00 H new ATOM 954 N HIS A 337 0.693 -4.440 -6.624 1.00 0.00 N ATOM 955 CA HIS A 337 0.990 -5.891 -6.485 1.00 0.00 C ATOM 956 C HIS A 337 0.471 -6.355 -5.125 1.00 0.00 C ATOM 957 O HIS A 337 -0.040 -7.446 -4.975 1.00 0.00 O ATOM 958 CB HIS A 337 2.514 -5.994 -6.553 1.00 0.00 C ATOM 959 CG HIS A 337 2.922 -7.442 -6.582 1.00 0.00 C ATOM 960 ND1 HIS A 337 4.147 -7.874 -6.095 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.282 -8.568 -7.037 1.00 0.00 C ATOM 962 CE1 HIS A 337 4.205 -9.208 -6.269 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.093 -9.682 -6.839 1.00 0.00 N ATOM 0 H HIS A 337 1.509 -3.834 -6.713 1.00 0.00 H new ATOM 0 HA HIS A 337 0.523 -6.508 -7.253 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.884 -5.484 -7.443 1.00 0.00 H new ATOM 0 HB3 HIS A 337 2.961 -5.497 -5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 337 1.298 -8.587 -7.481 1.00 0.00 H new ATOM 0 HE1 HIS A 337 5.047 -9.820 -5.983 1.00 0.00 H new ATOM 0 HE2 HIS A 337 2.884 -10.651 -7.078 1.00 0.00 H new ATOM 971 N PHE A 338 0.583 -5.505 -4.139 1.00 0.00 N ATOM 972 CA PHE A 338 0.083 -5.848 -2.779 1.00 0.00 C ATOM 973 C PHE A 338 -1.445 -5.891 -2.809 1.00 0.00 C ATOM 974 O PHE A 338 -2.072 -6.777 -2.264 1.00 0.00 O ATOM 975 CB PHE A 338 0.566 -4.703 -1.891 1.00 0.00 C ATOM 976 CG PHE A 338 -0.160 -4.739 -0.571 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.376 -5.958 0.079 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.609 -3.547 0.006 1.00 0.00 C ATOM 979 CE1 PHE A 338 -1.043 -5.984 1.309 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.276 -3.571 1.234 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.495 -4.792 1.888 1.00 0.00 C ATOM 0 H PHE A 338 1.004 -4.579 -4.220 1.00 0.00 H new ATOM 0 HA PHE A 338 0.436 -6.815 -2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.641 -4.786 -1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.391 -3.748 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 338 -0.029 -6.878 -0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.440 -2.607 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -1.209 -6.925 1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.622 -2.650 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 338 -2.011 -4.813 2.836 1.00 0.00 H new ATOM 991 N GLN A 339 -2.037 -4.928 -3.459 1.00 0.00 N ATOM 992 CA GLN A 339 -3.520 -4.875 -3.558 1.00 0.00 C ATOM 993 C GLN A 339 -4.039 -6.082 -4.340 1.00 0.00 C ATOM 994 O GLN A 339 -4.971 -6.746 -3.933 1.00 0.00 O ATOM 995 CB GLN A 339 -3.801 -3.583 -4.322 1.00 0.00 C ATOM 996 CG GLN A 339 -4.361 -2.530 -3.363 1.00 0.00 C ATOM 997 CD GLN A 339 -5.791 -2.176 -3.772 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.356 -2.800 -4.649 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.404 -1.194 -3.171 1.00 0.00 N ATOM 0 H GLN A 339 -1.549 -4.167 -3.931 1.00 0.00 H new ATOM 0 HA GLN A 339 -4.008 -4.897 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.885 -3.217 -4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.512 -3.772 -5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.347 -2.909 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.735 -1.638 -3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -5.929 -0.671 -2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.358 -0.949 -3.437 1.00 0.00 H new