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 Single : A 293 SER OG : rot 180:sc= -0.524 USER MOD Single : A 294 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 306 GLN : amide:sc= -0.133 K(o=-0.13,f=-2.5!) USER MOD Single : A 307 TYR OH : rot 130:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00168) USER MOD Single : A 320 THR OG1 : rot -32:sc= 0.6 USER MOD Single : A 323 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.0063) 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= -2.64! C(o=-2.6!,f=-12!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.06) USER MOD Single : A 339 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.750 1.929 -0.651 1.00 0.00 N ATOM 134 CA PRO A 287 10.143 0.700 -0.082 1.00 0.00 C ATOM 135 C PRO A 287 10.494 -0.519 -0.940 1.00 0.00 C ATOM 136 O PRO A 287 10.682 -0.415 -2.136 1.00 0.00 O ATOM 137 CB PRO A 287 8.645 0.984 -0.134 1.00 0.00 C ATOM 138 CG PRO A 287 8.476 1.992 -1.228 1.00 0.00 C ATOM 139 CD PRO A 287 9.755 2.785 -1.307 1.00 0.00 C ATOM 0 HA PRO A 287 10.497 0.475 0.924 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.079 0.076 -0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.284 1.372 0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.271 1.498 -2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.630 2.647 -1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.030 2.995 -2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.660 3.746 -0.801 1.00 0.00 H new ATOM 147 N GLU A 288 10.581 -1.675 -0.340 1.00 0.00 N ATOM 148 CA GLU A 288 10.918 -2.897 -1.125 1.00 0.00 C ATOM 149 C GLU A 288 9.645 -3.664 -1.492 1.00 0.00 C ATOM 150 O GLU A 288 9.584 -4.337 -2.503 1.00 0.00 O ATOM 151 CB GLU A 288 11.798 -3.734 -0.196 1.00 0.00 C ATOM 152 CG GLU A 288 12.488 -4.834 -1.004 1.00 0.00 C ATOM 153 CD GLU A 288 13.794 -4.295 -1.590 1.00 0.00 C ATOM 154 OE1 GLU A 288 13.877 -3.095 -1.795 1.00 0.00 O ATOM 155 OE2 GLU A 288 14.688 -5.090 -1.825 1.00 0.00 O ATOM 0 H GLU A 288 10.434 -1.826 0.658 1.00 0.00 H new ATOM 0 HA GLU A 288 11.423 -2.657 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.542 -3.100 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 288 11.193 -4.175 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 288 12.691 -5.695 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 288 11.833 -5.177 -1.804 1.00 0.00 H new ATOM 162 N ARG A 289 8.627 -3.573 -0.680 1.00 0.00 N ATOM 163 CA ARG A 289 7.362 -4.303 -0.985 1.00 0.00 C ATOM 164 C ARG A 289 6.384 -4.175 0.185 1.00 0.00 C ATOM 165 O ARG A 289 6.755 -3.790 1.276 1.00 0.00 O ATOM 166 CB ARG A 289 7.783 -5.763 -1.163 1.00 0.00 C ATOM 167 CG ARG A 289 7.305 -6.275 -2.523 1.00 0.00 C ATOM 168 CD ARG A 289 8.020 -7.588 -2.852 1.00 0.00 C ATOM 169 NE ARG A 289 7.193 -8.222 -3.914 1.00 0.00 N ATOM 170 CZ ARG A 289 6.547 -9.328 -3.666 1.00 0.00 C ATOM 171 NH1 ARG A 289 5.706 -9.384 -2.670 1.00 0.00 N ATOM 172 NH2 ARG A 289 6.745 -10.381 -4.412 1.00 0.00 N ATOM 0 H ARG A 289 8.616 -3.026 0.181 1.00 0.00 H new ATOM 0 HA ARG A 289 6.861 -3.908 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 289 8.867 -5.850 -1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 289 7.361 -6.373 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 289 6.226 -6.430 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.509 -5.533 -3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.037 -7.407 -3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 289 8.093 -8.229 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 289 7.131 -7.792 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 289 5.553 -8.563 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 289 5.201 -10.249 -2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 289 7.405 -10.339 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 289 6.240 -11.246 -4.218 1.00 0.00 H new ATOM 186 N ILE A 290 5.140 -4.505 -0.028 1.00 0.00 N ATOM 187 CA ILE A 290 4.154 -4.410 1.084 1.00 0.00 C ATOM 188 C ILE A 290 4.041 -5.761 1.790 1.00 0.00 C ATOM 189 O ILE A 290 4.127 -6.804 1.172 1.00 0.00 O ATOM 190 CB ILE A 290 2.814 -4.055 0.437 1.00 0.00 C ATOM 191 CG1 ILE A 290 3.014 -3.035 -0.689 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.889 -3.456 1.496 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.445 -1.697 -0.099 1.00 0.00 C ATOM 0 H ILE A 290 4.766 -4.834 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 290 4.454 -3.665 1.821 1.00 0.00 H new ATOM 0 HB ILE A 290 2.374 -4.960 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.768 -3.395 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 290 2.089 -2.914 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.932 -3.201 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.730 -4.182 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.345 -2.557 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.586 -0.974 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.676 -1.336 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.381 -1.824 0.444 1.00 0.00 H new ATOM 205 N ILE A 291 3.837 -5.755 3.076 1.00 0.00 N ATOM 206 CA ILE A 291 3.703 -7.044 3.814 1.00 0.00 C ATOM 207 C ILE A 291 2.312 -7.133 4.427 1.00 0.00 C ATOM 208 O ILE A 291 1.773 -8.204 4.627 1.00 0.00 O ATOM 209 CB ILE A 291 4.773 -7.042 4.915 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.210 -5.608 5.261 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.978 -7.844 4.433 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.148 -5.066 4.178 1.00 0.00 C ATOM 0 H ILE A 291 3.757 -4.915 3.649 1.00 0.00 H new ATOM 0 HA ILE A 291 3.837 -7.899 3.152 1.00 0.00 H new ATOM 0 HB ILE A 291 4.354 -7.493 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.335 -4.965 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.713 -5.597 6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.745 -7.849 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.672 -8.868 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.380 -7.389 3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.451 -4.051 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 291 7.031 -5.702 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.631 -5.060 3.219 1.00 0.00 H new ATOM 224 N ASP A 292 1.722 -6.011 4.720 1.00 0.00 N ATOM 225 CA ASP A 292 0.362 -6.024 5.311 1.00 0.00 C ATOM 226 C ASP A 292 -0.316 -4.670 5.098 1.00 0.00 C ATOM 227 O ASP A 292 0.313 -3.706 4.710 1.00 0.00 O ATOM 228 CB ASP A 292 0.579 -6.292 6.801 1.00 0.00 C ATOM 229 CG ASP A 292 -0.771 -6.535 7.479 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.558 -7.292 6.934 1.00 0.00 O ATOM 231 OD2 ASP A 292 -0.996 -5.960 8.532 1.00 0.00 O ATOM 0 H ASP A 292 2.125 -5.085 4.575 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.282 -6.776 4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.226 -7.159 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 292 1.083 -5.444 7.264 1.00 0.00 H new ATOM 236 N SER A 293 -1.591 -4.587 5.353 1.00 0.00 N ATOM 237 CA SER A 293 -2.303 -3.291 5.169 1.00 0.00 C ATOM 238 C SER A 293 -3.106 -2.953 6.427 1.00 0.00 C ATOM 239 O SER A 293 -3.502 -3.826 7.174 1.00 0.00 O ATOM 240 CB SER A 293 -3.236 -3.513 3.979 1.00 0.00 C ATOM 241 OG SER A 293 -3.431 -4.909 3.790 1.00 0.00 O ATOM 0 H SER A 293 -2.171 -5.359 5.681 1.00 0.00 H new ATOM 0 HA SER A 293 -1.617 -2.462 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.193 -3.021 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.810 -3.068 3.080 1.00 0.00 H new ATOM 0 HG SER A 293 -4.030 -5.055 3.028 1.00 0.00 H new ATOM 247 N GLN A 294 -3.344 -1.693 6.674 1.00 0.00 N ATOM 248 CA GLN A 294 -4.115 -1.312 7.890 1.00 0.00 C ATOM 249 C GLN A 294 -5.116 -0.198 7.568 1.00 0.00 C ATOM 250 O GLN A 294 -4.766 0.962 7.483 1.00 0.00 O ATOM 251 CB GLN A 294 -3.065 -0.817 8.884 1.00 0.00 C ATOM 252 CG GLN A 294 -3.762 -0.278 10.133 1.00 0.00 C ATOM 253 CD GLN A 294 -2.762 0.513 10.977 1.00 0.00 C ATOM 254 OE1 GLN A 294 -1.749 -0.017 11.393 1.00 0.00 O ATOM 255 NE2 GLN A 294 -3.003 1.766 11.250 1.00 0.00 N ATOM 0 H GLN A 294 -3.039 -0.915 6.089 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.694 -2.147 8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.391 -1.630 9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.456 -0.036 8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -4.598 0.361 9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.174 -1.102 10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -3.852 2.210 10.901 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -2.342 2.302 11.812 1.00 0.00 H new ATOM 404 N LEU A 305 -6.206 4.870 5.817 1.00 0.00 N ATOM 405 CA LEU A 305 -5.615 3.595 5.316 1.00 0.00 C ATOM 406 C LEU A 305 -4.085 3.655 5.370 1.00 0.00 C ATOM 407 O LEU A 305 -3.486 4.693 5.167 1.00 0.00 O ATOM 408 CB LEU A 305 -6.101 3.483 3.870 1.00 0.00 C ATOM 409 CG LEU A 305 -5.258 2.448 3.123 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.423 1.080 3.785 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.724 2.365 1.667 1.00 0.00 C ATOM 0 HA LEU A 305 -5.913 2.736 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.152 3.193 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -6.028 4.452 3.375 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.210 2.745 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -4.822 0.343 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.093 1.136 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.472 0.784 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.124 1.628 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.773 2.069 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.608 3.339 1.192 1.00 0.00 H new ATOM 423 N GLN A 306 -3.450 2.547 5.641 1.00 0.00 N ATOM 424 CA GLN A 306 -1.961 2.536 5.707 1.00 0.00 C ATOM 425 C GLN A 306 -1.422 1.178 5.247 1.00 0.00 C ATOM 426 O GLN A 306 -1.973 0.144 5.565 1.00 0.00 O ATOM 427 CB GLN A 306 -1.627 2.770 7.181 1.00 0.00 C ATOM 428 CG GLN A 306 -1.893 4.233 7.541 1.00 0.00 C ATOM 429 CD GLN A 306 -1.127 4.592 8.815 1.00 0.00 C ATOM 430 OE1 GLN A 306 -0.214 3.893 9.207 1.00 0.00 O ATOM 431 NE2 GLN A 306 -1.463 5.661 9.485 1.00 0.00 N ATOM 0 H GLN A 306 -3.899 1.649 5.820 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.514 3.293 5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.230 2.115 7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.583 2.522 7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -1.583 4.882 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.961 4.394 7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -2.229 6.249 9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 306 -0.959 5.909 10.337 1.00 0.00 H new ATOM 440 N TYR A 307 -0.352 1.174 4.499 1.00 0.00 N ATOM 441 CA TYR A 307 0.222 -0.119 4.018 1.00 0.00 C ATOM 442 C TYR A 307 1.570 -0.391 4.694 1.00 0.00 C ATOM 443 O TYR A 307 2.421 0.473 4.769 1.00 0.00 O ATOM 444 CB TYR A 307 0.424 0.073 2.515 1.00 0.00 C ATOM 445 CG TYR A 307 -0.786 -0.416 1.750 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.001 -0.649 2.409 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.689 -0.638 0.369 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.112 -1.106 1.689 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.801 -1.092 -0.349 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.011 -1.326 0.311 1.00 0.00 C ATOM 451 OH TYR A 307 -4.107 -1.777 -0.397 1.00 0.00 O ATOM 0 H TYR A 307 0.151 2.009 4.199 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.429 -0.963 4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.597 1.127 2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.311 -0.470 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.080 -0.476 3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.246 -0.458 -0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.047 -1.289 2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.724 -1.262 -1.413 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.243 -1.210 -1.185 1.00 0.00 H new ATOM 461 N LEU A 308 1.776 -1.587 5.174 1.00 0.00 N ATOM 462 CA LEU A 308 3.076 -1.913 5.828 1.00 0.00 C ATOM 463 C LEU A 308 4.132 -2.181 4.756 1.00 0.00 C ATOM 464 O LEU A 308 3.947 -3.010 3.887 1.00 0.00 O ATOM 465 CB LEU A 308 2.806 -3.176 6.647 1.00 0.00 C ATOM 466 CG LEU A 308 4.054 -3.542 7.451 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.175 -2.608 8.657 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.939 -4.990 7.937 1.00 0.00 C ATOM 0 H LEU A 308 1.102 -2.352 5.142 1.00 0.00 H new ATOM 0 HA LEU A 308 3.446 -1.102 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.963 -3.013 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.532 -3.999 5.986 1.00 0.00 H new ATOM 0 HG LEU A 308 4.937 -3.438 6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 308 5.064 -2.868 9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.254 -1.577 8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.293 -2.713 9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.828 -5.253 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.056 -5.093 8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.851 -5.656 7.079 1.00 0.00 H new ATOM 480 N VAL A 309 5.233 -1.483 4.798 1.00 0.00 N ATOM 481 CA VAL A 309 6.285 -1.705 3.764 1.00 0.00 C ATOM 482 C VAL A 309 7.617 -2.090 4.409 1.00 0.00 C ATOM 483 O VAL A 309 7.861 -1.820 5.569 1.00 0.00 O ATOM 484 CB VAL A 309 6.423 -0.367 3.041 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.189 -0.582 1.737 1.00 0.00 C ATOM 486 CG2 VAL A 309 5.034 0.196 2.732 1.00 0.00 C ATOM 0 H VAL A 309 5.450 -0.773 5.498 1.00 0.00 H new ATOM 0 HA VAL A 309 6.016 -2.518 3.090 1.00 0.00 H new ATOM 0 HB VAL A 309 6.962 0.338 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.292 0.369 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.178 -0.984 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.644 -1.285 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 309 5.135 1.151 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.491 -0.504 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.486 0.343 3.663 1.00 0.00 H new ATOM 496 N LYS A 310 8.484 -2.707 3.653 1.00 0.00 N ATOM 497 CA LYS A 310 9.812 -3.105 4.201 1.00 0.00 C ATOM 498 C LYS A 310 10.918 -2.345 3.465 1.00 0.00 C ATOM 499 O LYS A 310 11.414 -2.781 2.445 1.00 0.00 O ATOM 500 CB LYS A 310 9.921 -4.608 3.938 1.00 0.00 C ATOM 501 CG LYS A 310 10.890 -5.236 4.942 1.00 0.00 C ATOM 502 CD LYS A 310 10.239 -6.467 5.578 1.00 0.00 C ATOM 503 CE LYS A 310 10.648 -7.720 4.799 1.00 0.00 C ATOM 504 NZ LYS A 310 9.786 -8.807 5.342 1.00 0.00 N ATOM 0 H LYS A 310 8.329 -2.953 2.675 1.00 0.00 H new ATOM 0 HA LYS A 310 9.913 -2.877 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.940 -5.075 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.270 -4.785 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.816 -5.519 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.152 -4.511 5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 310 10.547 -6.557 6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 310 9.154 -6.361 5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 310 10.491 -7.589 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 310 11.705 -7.946 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 10.031 -9.707 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 9.937 -8.891 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 8.787 -8.583 5.157 1.00 0.00 H new ATOM 681 N THR A 320 8.068 -0.864 8.517 1.00 0.00 N ATOM 682 CA THR A 320 7.125 -0.116 9.398 1.00 0.00 C ATOM 683 C THR A 320 5.783 0.089 8.690 1.00 0.00 C ATOM 684 O THR A 320 5.466 -0.588 7.733 1.00 0.00 O ATOM 685 CB THR A 320 7.804 1.227 9.664 1.00 0.00 C ATOM 686 OG1 THR A 320 8.348 1.731 8.452 1.00 0.00 O ATOM 687 CG2 THR A 320 8.923 1.040 10.690 1.00 0.00 C ATOM 0 HA THR A 320 6.915 -0.654 10.323 1.00 0.00 H new ATOM 0 HB THR A 320 7.071 1.934 10.054 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.630 0.984 7.884 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.407 1.998 10.879 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.504 0.655 11.620 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.657 0.333 10.303 1.00 0.00 H new ATOM 695 N TRP A 321 4.989 1.013 9.159 1.00 0.00 N ATOM 696 CA TRP A 321 3.665 1.254 8.517 1.00 0.00 C ATOM 697 C TRP A 321 3.619 2.636 7.862 1.00 0.00 C ATOM 698 O TRP A 321 4.158 3.599 8.371 1.00 0.00 O ATOM 699 CB TRP A 321 2.655 1.183 9.659 1.00 0.00 C ATOM 700 CG TRP A 321 2.172 -0.222 9.815 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.510 -1.046 10.833 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.274 -0.981 8.952 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.872 -2.261 10.654 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.100 -2.271 9.510 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.599 -0.680 7.754 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.285 -3.226 8.902 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.221 -1.642 7.140 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.377 -2.911 7.714 1.00 0.00 C ATOM 0 H TRP A 321 5.200 1.611 9.958 1.00 0.00 H new ATOM 0 HA TRP A 321 3.460 0.527 7.731 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.115 1.525 10.586 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.814 1.847 9.456 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.169 -0.797 11.651 1.00 0.00 H new ATOM 0 HE1 TRP A 321 1.961 -3.053 11.290 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.712 0.295 7.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.167 -4.203 9.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.734 -1.402 6.220 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.009 -3.645 7.237 1.00 0.00 H new ATOM 719 N GLU A 322 2.963 2.737 6.741 1.00 0.00 N ATOM 720 CA GLU A 322 2.854 4.048 6.044 1.00 0.00 C ATOM 721 C GLU A 322 1.468 4.168 5.407 1.00 0.00 C ATOM 722 O GLU A 322 0.686 3.239 5.437 1.00 0.00 O ATOM 723 CB GLU A 322 3.942 4.023 4.969 1.00 0.00 C ATOM 724 CG GLU A 322 5.244 4.583 5.545 1.00 0.00 C ATOM 725 CD GLU A 322 5.974 5.390 4.470 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.529 5.364 3.334 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.966 6.020 4.799 1.00 0.00 O ATOM 0 H GLU A 322 2.494 1.961 6.274 1.00 0.00 H new ATOM 0 HA GLU A 322 2.980 4.895 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.097 3.003 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.630 4.613 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.030 5.215 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 322 5.878 3.769 5.897 1.00 0.00 H new ATOM 734 N ASN A 323 1.153 5.290 4.826 1.00 0.00 N ATOM 735 CA ASN A 323 -0.181 5.436 4.190 1.00 0.00 C ATOM 736 C ASN A 323 -0.215 4.635 2.890 1.00 0.00 C ATOM 737 O ASN A 323 0.734 4.628 2.132 1.00 0.00 O ATOM 738 CB ASN A 323 -0.330 6.932 3.908 1.00 0.00 C ATOM 739 CG ASN A 323 -0.828 7.641 5.169 1.00 0.00 C ATOM 740 OD1 ASN A 323 -1.696 8.488 5.100 1.00 0.00 O ATOM 741 ND2 ASN A 323 -0.311 7.329 6.327 1.00 0.00 N ATOM 0 H ASN A 323 1.759 6.108 4.765 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.990 5.067 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.626 7.351 3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.030 7.091 3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -0.636 7.796 7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 323 0.418 6.618 6.385 1.00 0.00 H new ATOM 748 N ALA A 324 -1.303 3.970 2.616 1.00 0.00 N ATOM 749 CA ALA A 324 -1.384 3.189 1.353 1.00 0.00 C ATOM 750 C ALA A 324 -1.409 4.164 0.186 1.00 0.00 C ATOM 751 O ALA A 324 -1.116 3.824 -0.939 1.00 0.00 O ATOM 752 CB ALA A 324 -2.698 2.414 1.438 1.00 0.00 C ATOM 0 H ALA A 324 -2.133 3.934 3.208 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.541 2.513 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.825 1.814 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.679 1.760 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.528 3.114 1.527 1.00 0.00 H new ATOM 758 N THR A 325 -1.744 5.389 0.465 1.00 0.00 N ATOM 759 CA THR A 325 -1.783 6.416 -0.608 1.00 0.00 C ATOM 760 C THR A 325 -0.357 6.864 -0.921 1.00 0.00 C ATOM 761 O THR A 325 0.031 6.993 -2.065 1.00 0.00 O ATOM 762 CB THR A 325 -2.604 7.557 -0.010 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.987 7.255 -0.129 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.300 8.859 -0.744 1.00 0.00 C ATOM 0 H THR A 325 -1.994 5.725 1.395 1.00 0.00 H new ATOM 0 HA THR A 325 -2.217 6.057 -1.541 1.00 0.00 H new ATOM 0 HB THR A 325 -2.344 7.673 1.042 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.516 7.985 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.890 9.667 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.240 9.092 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.553 8.750 -1.799 1.00 0.00 H new ATOM 772 N ASP A 326 0.428 7.080 0.094 1.00 0.00 N ATOM 773 CA ASP A 326 1.837 7.499 -0.132 1.00 0.00 C ATOM 774 C ASP A 326 2.588 6.368 -0.829 1.00 0.00 C ATOM 775 O ASP A 326 3.193 6.555 -1.865 1.00 0.00 O ATOM 776 CB ASP A 326 2.406 7.746 1.265 1.00 0.00 C ATOM 777 CG ASP A 326 2.207 9.214 1.644 1.00 0.00 C ATOM 778 OD1 ASP A 326 1.400 9.867 1.002 1.00 0.00 O ATOM 779 OD2 ASP A 326 2.863 9.661 2.571 1.00 0.00 O ATOM 0 H ASP A 326 0.155 6.984 1.072 1.00 0.00 H new ATOM 0 HA ASP A 326 1.923 8.386 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 326 1.910 7.101 1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.466 7.494 1.287 1.00 0.00 H new ATOM 784 N ILE A 327 2.542 5.188 -0.275 1.00 0.00 N ATOM 785 CA ILE A 327 3.241 4.043 -0.916 1.00 0.00 C ATOM 786 C ILE A 327 2.690 3.836 -2.329 1.00 0.00 C ATOM 787 O ILE A 327 3.391 3.401 -3.217 1.00 0.00 O ATOM 788 CB ILE A 327 2.948 2.837 -0.022 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.688 3.009 1.304 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.432 1.556 -0.705 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.165 3.289 1.022 1.00 0.00 C ATOM 0 H ILE A 327 2.051 4.969 0.592 1.00 0.00 H new ATOM 0 HA ILE A 327 4.315 4.204 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 327 1.875 2.768 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.252 3.830 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.585 2.110 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.221 0.700 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.915 1.433 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.506 1.621 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.698 3.413 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.595 2.454 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.256 4.200 0.431 1.00 0.00 H new ATOM 803 N VAL A 328 1.449 4.169 -2.558 1.00 0.00 N ATOM 804 CA VAL A 328 0.897 4.016 -3.933 1.00 0.00 C ATOM 805 C VAL A 328 1.714 4.907 -4.865 1.00 0.00 C ATOM 806 O VAL A 328 2.205 4.481 -5.890 1.00 0.00 O ATOM 807 CB VAL A 328 -0.559 4.496 -3.844 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.025 5.029 -5.202 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.452 3.327 -3.433 1.00 0.00 C ATOM 0 H VAL A 328 0.800 4.536 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 328 0.940 2.995 -4.312 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.624 5.295 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.059 5.366 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.392 5.864 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -0.956 4.236 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.486 3.664 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.375 2.532 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.133 2.949 -2.462 1.00 0.00 H new ATOM 819 N LYS A 329 1.878 6.145 -4.490 1.00 0.00 N ATOM 820 CA LYS A 329 2.683 7.083 -5.323 1.00 0.00 C ATOM 821 C LYS A 329 4.172 6.783 -5.131 1.00 0.00 C ATOM 822 O LYS A 329 4.920 6.661 -6.080 1.00 0.00 O ATOM 823 CB LYS A 329 2.340 8.476 -4.795 1.00 0.00 C ATOM 824 CG LYS A 329 0.823 8.676 -4.829 1.00 0.00 C ATOM 825 CD LYS A 329 0.402 9.599 -3.685 1.00 0.00 C ATOM 826 CE LYS A 329 0.747 11.047 -4.042 1.00 0.00 C ATOM 827 NZ LYS A 329 0.059 11.871 -3.010 1.00 0.00 N ATOM 0 H LYS A 329 1.488 6.550 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 329 2.468 6.994 -6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.710 8.592 -3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 329 2.831 9.237 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 329 0.524 9.105 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.317 7.715 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.668 9.504 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.910 9.310 -2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 329 1.824 11.212 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 329 0.401 11.300 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 0.248 12.878 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 -0.966 11.698 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 0.413 11.613 -2.067 1.00 0.00 H new ATOM 841 N LEU A 330 4.602 6.647 -3.903 1.00 0.00 N ATOM 842 CA LEU A 330 6.033 6.334 -3.639 1.00 0.00 C ATOM 843 C LEU A 330 6.386 5.007 -4.306 1.00 0.00 C ATOM 844 O LEU A 330 7.360 4.888 -5.024 1.00 0.00 O ATOM 845 CB LEU A 330 6.127 6.202 -2.120 1.00 0.00 C ATOM 846 CG LEU A 330 7.439 6.815 -1.626 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.265 8.325 -1.456 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.814 6.197 -0.278 1.00 0.00 C ATOM 0 H LEU A 330 4.019 6.740 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 330 6.713 7.093 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.281 6.703 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.075 5.152 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 330 8.227 6.617 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.200 8.762 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.994 8.770 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.477 8.521 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.749 6.633 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.024 6.397 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 330 7.937 5.120 -0.393 1.00 0.00 H new ATOM 860 N ALA A 331 5.582 4.010 -4.069 1.00 0.00 N ATOM 861 CA ALA A 331 5.823 2.673 -4.673 1.00 0.00 C ATOM 862 C ALA A 331 4.505 2.116 -5.216 1.00 0.00 C ATOM 863 O ALA A 331 3.894 1.262 -4.605 1.00 0.00 O ATOM 864 CB ALA A 331 6.338 1.810 -3.521 1.00 0.00 C ATOM 0 H ALA A 331 4.756 4.067 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 331 6.530 2.703 -5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.541 0.802 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.255 2.244 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.585 1.767 -2.734 1.00 0.00 H new ATOM 870 N PRO A 332 4.107 2.628 -6.347 1.00 0.00 N ATOM 871 CA PRO A 332 2.838 2.187 -6.983 1.00 0.00 C ATOM 872 C PRO A 332 2.961 0.735 -7.459 1.00 0.00 C ATOM 873 O PRO A 332 2.061 -0.063 -7.290 1.00 0.00 O ATOM 874 CB PRO A 332 2.683 3.141 -8.168 1.00 0.00 C ATOM 875 CG PRO A 332 4.071 3.606 -8.464 1.00 0.00 C ATOM 876 CD PRO A 332 4.794 3.651 -7.144 1.00 0.00 C ATOM 0 HA PRO A 332 1.983 2.214 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 332 2.243 2.636 -9.028 1.00 0.00 H new ATOM 0 HB3 PRO A 332 2.029 3.977 -7.920 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.569 2.927 -9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 332 4.059 4.589 -8.934 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.854 3.427 -7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.725 4.635 -6.681 1.00 0.00 H new ATOM 884 N GLU A 333 4.072 0.390 -8.052 1.00 0.00 N ATOM 885 CA GLU A 333 4.256 -1.008 -8.538 1.00 0.00 C ATOM 886 C GLU A 333 4.145 -1.991 -7.371 1.00 0.00 C ATOM 887 O GLU A 333 3.700 -3.110 -7.531 1.00 0.00 O ATOM 888 CB GLU A 333 5.664 -1.039 -9.132 1.00 0.00 C ATOM 889 CG GLU A 333 5.609 -0.600 -10.595 1.00 0.00 C ATOM 890 CD GLU A 333 7.009 -0.683 -11.205 1.00 0.00 C ATOM 891 OE1 GLU A 333 7.462 -1.788 -11.450 1.00 0.00 O ATOM 892 OE2 GLU A 333 7.605 0.362 -11.415 1.00 0.00 O ATOM 0 H GLU A 333 4.860 1.015 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 333 3.499 -1.294 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 333 6.323 -0.379 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 333 6.080 -2.044 -9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.920 -1.236 -11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 333 5.230 0.419 -10.666 1.00 0.00 H new ATOM 899 N GLN A 334 4.545 -1.581 -6.200 1.00 0.00 N ATOM 900 CA GLN A 334 4.459 -2.492 -5.024 1.00 0.00 C ATOM 901 C GLN A 334 3.027 -2.525 -4.490 1.00 0.00 C ATOM 902 O GLN A 334 2.432 -3.574 -4.347 1.00 0.00 O ATOM 903 CB GLN A 334 5.414 -1.892 -3.991 1.00 0.00 C ATOM 904 CG GLN A 334 6.858 -2.142 -4.430 1.00 0.00 C ATOM 905 CD GLN A 334 7.815 -1.379 -3.511 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.388 -0.646 -2.642 1.00 0.00 O ATOM 907 NE2 GLN A 334 9.104 -1.522 -3.669 1.00 0.00 N ATOM 0 H GLN A 334 4.927 -0.656 -6.006 1.00 0.00 H new ATOM 0 HA GLN A 334 4.725 -3.520 -5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.233 -0.822 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.237 -2.339 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.079 -3.209 -4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.996 -1.820 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 334 9.463 -2.138 -4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 334 9.751 -1.018 -3.063 1.00 0.00 H new ATOM 916 N VAL A 335 2.462 -1.384 -4.198 1.00 0.00 N ATOM 917 CA VAL A 335 1.065 -1.363 -3.680 1.00 0.00 C ATOM 918 C VAL A 335 0.152 -2.122 -4.645 1.00 0.00 C ATOM 919 O VAL A 335 -0.739 -2.835 -4.231 1.00 0.00 O ATOM 920 CB VAL A 335 0.706 0.126 -3.581 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.799 0.343 -3.771 1.00 0.00 C ATOM 922 CG2 VAL A 335 1.108 0.632 -2.197 1.00 0.00 C ATOM 0 H VAL A 335 2.905 -0.471 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 335 0.952 -1.850 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 335 1.235 0.669 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.026 1.407 -3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.098 -0.023 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.345 -0.200 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.859 1.690 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.571 0.069 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.181 0.499 -2.058 1.00 0.00 H new ATOM 932 N LYS A 336 0.374 -2.001 -5.925 1.00 0.00 N ATOM 933 CA LYS A 336 -0.477 -2.752 -6.888 1.00 0.00 C ATOM 934 C LYS A 336 -0.188 -4.244 -6.726 1.00 0.00 C ATOM 935 O LYS A 336 -1.075 -5.035 -6.474 1.00 0.00 O ATOM 936 CB LYS A 336 -0.058 -2.261 -8.274 1.00 0.00 C ATOM 937 CG LYS A 336 -1.154 -2.600 -9.285 1.00 0.00 C ATOM 938 CD LYS A 336 -1.643 -1.318 -9.958 1.00 0.00 C ATOM 939 CE LYS A 336 -3.124 -1.464 -10.315 1.00 0.00 C ATOM 940 NZ LYS A 336 -3.155 -1.542 -11.802 1.00 0.00 N ATOM 0 H LYS A 336 1.101 -1.420 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.544 -2.597 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 336 0.114 -1.185 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.882 -2.728 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.770 -3.293 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.983 -3.099 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -1.500 -0.467 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -1.059 -1.120 -10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -3.553 -2.359 -9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -3.703 -0.615 -9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -4.139 -1.643 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -2.747 -0.674 -12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -2.601 -2.363 -12.118 1.00 0.00 H new ATOM 954 N HIS A 337 1.056 -4.631 -6.833 1.00 0.00 N ATOM 955 CA HIS A 337 1.398 -6.068 -6.644 1.00 0.00 C ATOM 956 C HIS A 337 0.904 -6.498 -5.265 1.00 0.00 C ATOM 957 O HIS A 337 0.440 -7.603 -5.069 1.00 0.00 O ATOM 958 CB HIS A 337 2.924 -6.130 -6.722 1.00 0.00 C ATOM 959 CG HIS A 337 3.357 -7.542 -7.008 1.00 0.00 C ATOM 960 ND1 HIS A 337 4.677 -7.946 -6.889 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.659 -8.654 -7.409 1.00 0.00 C ATOM 962 CE1 HIS A 337 4.733 -9.251 -7.212 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.531 -9.733 -7.537 1.00 0.00 N ATOM 0 H HIS A 337 1.844 -4.018 -7.042 1.00 0.00 H new ATOM 0 HA HIS A 337 0.943 -6.725 -7.386 1.00 0.00 H new ATOM 0 HB2 HIS A 337 3.286 -5.462 -7.504 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.361 -5.788 -5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 337 1.596 -8.687 -7.597 1.00 0.00 H new ATOM 0 HE1 HIS A 337 5.640 -9.837 -7.209 1.00 0.00 H new ATOM 0 HE2 HIS A 337 3.301 -10.686 -7.818 1.00 0.00 H new ATOM 971 N PHE A 338 0.980 -5.607 -4.314 1.00 0.00 N ATOM 972 CA PHE A 338 0.495 -5.921 -2.943 1.00 0.00 C ATOM 973 C PHE A 338 -1.031 -5.993 -2.963 1.00 0.00 C ATOM 974 O PHE A 338 -1.636 -6.900 -2.426 1.00 0.00 O ATOM 975 CB PHE A 338 0.955 -4.744 -2.088 1.00 0.00 C ATOM 976 CG PHE A 338 0.220 -4.759 -0.774 1.00 0.00 C ATOM 977 CD1 PHE A 338 0.056 -5.961 -0.076 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.289 -3.569 -0.251 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.620 -5.970 1.148 1.00 0.00 C ATOM 980 CE2 PHE A 338 -0.965 -3.575 0.975 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.131 -4.778 1.676 1.00 0.00 C ATOM 0 H PHE A 338 1.361 -4.668 -4.431 1.00 0.00 H new ATOM 0 HA PHE A 338 0.872 -6.871 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 338 2.030 -4.804 -1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.768 -3.806 -2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.451 -6.880 -0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.161 -2.643 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.748 -6.897 1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.358 -2.654 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.652 -4.785 2.622 1.00 0.00 H new ATOM 991 N GLN A 339 -1.648 -5.035 -3.597 1.00 0.00 N ATOM 992 CA GLN A 339 -3.131 -5.015 -3.687 1.00 0.00 C ATOM 993 C GLN A 339 -3.633 -6.323 -4.298 1.00 0.00 C ATOM 994 O GLN A 339 -4.636 -6.870 -3.883 1.00 0.00 O ATOM 995 CB GLN A 339 -3.441 -3.838 -4.608 1.00 0.00 C ATOM 996 CG GLN A 339 -3.984 -2.669 -3.782 1.00 0.00 C ATOM 997 CD GLN A 339 -5.499 -2.570 -3.973 1.00 0.00 C ATOM 998 OE1 GLN A 339 -5.991 -1.615 -4.541 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.266 -3.524 -3.518 1.00 0.00 N ATOM 0 H GLN A 339 -1.180 -4.257 -4.061 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.612 -4.914 -2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.540 -3.533 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.171 -4.135 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -3.748 -2.814 -2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.506 -1.739 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -5.854 -4.326 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.277 -3.467 -3.640 1.00 0.00 H new