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= -0.14 USER MOD Single : A 294 GLN : amide:sc= -0.116 K(o=-0.12,f=-1) USER MOD Single : A 306 GLN : amide:sc= 0 X(o=0,f=0) 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 119:sc= 1.16 USER MOD Single : A 323 ASN : amide:sc=-0.00962 K(o=-0.0096,f=-1.7!) 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= -2.2! C(o=-2.2!,f=-12!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HE2:sc=-0.000446 K(o=-0.00045,f=-2.6!) USER MOD Single : A 339 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.433 2.041 -0.636 1.00 0.00 N ATOM 134 CA PRO A 287 9.813 0.813 -0.084 1.00 0.00 C ATOM 135 C PRO A 287 10.171 -0.393 -0.957 1.00 0.00 C ATOM 136 O PRO A 287 10.260 -0.291 -2.163 1.00 0.00 O ATOM 137 CB PRO A 287 8.317 1.108 -0.150 1.00 0.00 C ATOM 138 CG PRO A 287 8.168 2.125 -1.238 1.00 0.00 C ATOM 139 CD PRO A 287 9.455 2.909 -1.299 1.00 0.00 C ATOM 0 HA PRO A 287 10.149 0.573 0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 287 7.747 0.206 -0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 287 7.948 1.492 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 287 7.968 1.639 -2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.325 2.785 -1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 287 9.744 3.122 -2.328 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.362 3.868 -0.789 1.00 0.00 H new ATOM 147 N GLU A 288 10.384 -1.535 -0.359 1.00 0.00 N ATOM 148 CA GLU A 288 10.742 -2.737 -1.167 1.00 0.00 C ATOM 149 C GLU A 288 9.486 -3.536 -1.528 1.00 0.00 C ATOM 150 O GLU A 288 9.442 -4.214 -2.535 1.00 0.00 O ATOM 151 CB GLU A 288 11.661 -3.562 -0.266 1.00 0.00 C ATOM 152 CG GLU A 288 12.707 -4.278 -1.123 1.00 0.00 C ATOM 153 CD GLU A 288 12.064 -5.481 -1.814 1.00 0.00 C ATOM 154 OE1 GLU A 288 10.904 -5.746 -1.542 1.00 0.00 O ATOM 155 OE2 GLU A 288 12.742 -6.117 -2.604 1.00 0.00 O ATOM 0 H GLU A 288 10.326 -1.687 0.648 1.00 0.00 H new ATOM 0 HA GLU A 288 11.224 -2.469 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.152 -2.915 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 288 11.077 -4.290 0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 288 13.114 -3.593 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.540 -4.605 -0.501 1.00 0.00 H new ATOM 162 N ARG A 289 8.466 -3.468 -0.716 1.00 0.00 N ATOM 163 CA ARG A 289 7.222 -4.233 -1.020 1.00 0.00 C ATOM 164 C ARG A 289 6.246 -4.153 0.157 1.00 0.00 C ATOM 165 O ARG A 289 6.618 -3.806 1.260 1.00 0.00 O ATOM 166 CB ARG A 289 7.689 -5.675 -1.224 1.00 0.00 C ATOM 167 CG ARG A 289 7.267 -6.161 -2.611 1.00 0.00 C ATOM 168 CD ARG A 289 8.236 -7.246 -3.085 1.00 0.00 C ATOM 169 NE ARG A 289 8.398 -7.006 -4.546 1.00 0.00 N ATOM 170 CZ ARG A 289 9.419 -7.513 -5.182 1.00 0.00 C ATOM 171 NH1 ARG A 289 9.333 -8.704 -5.711 1.00 0.00 N ATOM 172 NH2 ARG A 289 10.525 -6.829 -5.292 1.00 0.00 N ATOM 0 H ARG A 289 8.440 -2.918 0.142 1.00 0.00 H new ATOM 0 HA ARG A 289 6.700 -3.840 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 289 8.772 -5.735 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 289 7.260 -6.319 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 289 6.251 -6.555 -2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.263 -5.329 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.192 -7.176 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 289 7.839 -8.242 -2.890 1.00 0.00 H new ATOM 0 HE ARG A 289 7.711 -6.445 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 289 8.468 -9.238 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 289 10.131 -9.100 -6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 289 10.592 -5.898 -4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 289 11.323 -7.226 -5.789 1.00 0.00 H new ATOM 186 N ILE A 290 5.001 -4.481 -0.064 1.00 0.00 N ATOM 187 CA ILE A 290 4.014 -4.433 1.051 1.00 0.00 C ATOM 188 C ILE A 290 3.951 -5.793 1.750 1.00 0.00 C ATOM 189 O ILE A 290 4.017 -6.828 1.119 1.00 0.00 O ATOM 190 CB ILE A 290 2.662 -4.124 0.404 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.823 -3.060 -0.684 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.698 -3.606 1.472 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.321 -1.761 -0.060 1.00 0.00 C ATOM 0 H ILE A 290 4.627 -4.779 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 290 4.287 -3.684 1.795 1.00 0.00 H new ATOM 0 HB ILE A 290 2.269 -5.036 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.527 -3.404 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.870 -2.892 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.734 -3.385 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.568 -4.365 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.104 -2.699 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.435 -1.005 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.601 -1.414 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.283 -1.934 0.422 1.00 0.00 H new ATOM 205 N ILE A 291 3.803 -5.799 3.044 1.00 0.00 N ATOM 206 CA ILE A 291 3.715 -7.097 3.778 1.00 0.00 C ATOM 207 C ILE A 291 2.329 -7.233 4.397 1.00 0.00 C ATOM 208 O ILE A 291 1.802 -8.318 4.546 1.00 0.00 O ATOM 209 CB ILE A 291 4.784 -7.068 4.881 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.173 -5.624 5.239 1.00 0.00 C ATOM 211 CG2 ILE A 291 6.016 -7.825 4.399 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.105 -5.052 4.166 1.00 0.00 C ATOM 0 H ILE A 291 3.739 -4.965 3.627 1.00 0.00 H new ATOM 0 HA ILE A 291 3.879 -7.942 3.109 1.00 0.00 H new ATOM 0 HB ILE A 291 4.376 -7.540 5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.278 -5.007 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.666 -5.602 6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.780 -7.809 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.745 -8.857 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.405 -7.351 3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.376 -4.029 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 291 7.007 -5.662 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.597 -5.058 3.202 1.00 0.00 H new ATOM 224 N ASP A 292 1.734 -6.133 4.754 1.00 0.00 N ATOM 225 CA ASP A 292 0.380 -6.185 5.360 1.00 0.00 C ATOM 226 C ASP A 292 -0.309 -4.826 5.212 1.00 0.00 C ATOM 227 O ASP A 292 0.293 -3.859 4.787 1.00 0.00 O ATOM 228 CB ASP A 292 0.615 -6.515 6.834 1.00 0.00 C ATOM 229 CG ASP A 292 -0.718 -6.862 7.498 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.194 -7.965 7.282 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.240 -6.020 8.209 1.00 0.00 O ATOM 0 H ASP A 292 2.129 -5.198 4.652 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.263 -6.923 4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.307 -7.352 6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 292 1.075 -5.665 7.339 1.00 0.00 H new ATOM 236 N SER A 293 -1.563 -4.742 5.559 1.00 0.00 N ATOM 237 CA SER A 293 -2.280 -3.442 5.436 1.00 0.00 C ATOM 238 C SER A 293 -3.046 -3.141 6.726 1.00 0.00 C ATOM 239 O SER A 293 -3.365 -4.029 7.491 1.00 0.00 O ATOM 240 CB SER A 293 -3.247 -3.631 4.269 1.00 0.00 C ATOM 241 OG SER A 293 -3.576 -5.008 4.149 1.00 0.00 O ATOM 0 H SER A 293 -2.121 -5.515 5.921 1.00 0.00 H new ATOM 0 HA SER A 293 -1.599 -2.608 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.150 -3.043 4.431 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.794 -3.272 3.345 1.00 0.00 H new ATOM 0 HG SER A 293 -4.198 -5.132 3.402 1.00 0.00 H new ATOM 247 N GLN A 294 -3.341 -1.896 6.975 1.00 0.00 N ATOM 248 CA GLN A 294 -4.082 -1.543 8.219 1.00 0.00 C ATOM 249 C GLN A 294 -5.032 -0.372 7.957 1.00 0.00 C ATOM 250 O GLN A 294 -4.710 0.771 8.212 1.00 0.00 O ATOM 251 CB GLN A 294 -2.998 -1.146 9.222 1.00 0.00 C ATOM 252 CG GLN A 294 -3.610 -1.040 10.621 1.00 0.00 C ATOM 253 CD GLN A 294 -3.090 0.221 11.310 1.00 0.00 C ATOM 254 OE1 GLN A 294 -1.994 0.669 11.036 1.00 0.00 O ATOM 255 NE2 GLN A 294 -3.833 0.816 12.202 1.00 0.00 N ATOM 0 H GLN A 294 -3.102 -1.108 6.373 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.694 -2.367 8.585 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.197 -1.885 9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.554 -0.193 8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -4.697 -1.008 10.552 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -3.354 -1.921 11.209 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -4.753 0.440 12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -3.494 1.657 12.669 1.00 0.00 H new ATOM 404 N LEU A 305 -6.059 4.793 5.918 1.00 0.00 N ATOM 405 CA LEU A 305 -5.539 3.551 5.276 1.00 0.00 C ATOM 406 C LEU A 305 -4.010 3.516 5.351 1.00 0.00 C ATOM 407 O LEU A 305 -3.339 4.438 4.929 1.00 0.00 O ATOM 408 CB LEU A 305 -6.003 3.639 3.821 1.00 0.00 C ATOM 409 CG LEU A 305 -5.414 2.474 3.028 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.991 1.159 3.550 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.769 2.634 1.548 1.00 0.00 C ATOM 0 HA LEU A 305 -5.900 2.648 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.092 3.612 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.688 4.587 3.384 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.330 2.467 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.571 0.327 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.740 1.044 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -7.075 1.166 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.349 1.803 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.853 2.641 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.358 3.572 1.175 1.00 0.00 H new ATOM 423 N GLN A 306 -3.451 2.465 5.888 1.00 0.00 N ATOM 424 CA GLN A 306 -1.965 2.385 5.989 1.00 0.00 C ATOM 425 C GLN A 306 -1.460 1.033 5.476 1.00 0.00 C ATOM 426 O GLN A 306 -2.033 -0.002 5.752 1.00 0.00 O ATOM 427 CB GLN A 306 -1.663 2.540 7.479 1.00 0.00 C ATOM 428 CG GLN A 306 -2.172 3.898 7.963 1.00 0.00 C ATOM 429 CD GLN A 306 -2.480 3.827 9.461 1.00 0.00 C ATOM 430 OE1 GLN A 306 -1.643 4.152 10.280 1.00 0.00 O ATOM 431 NE2 GLN A 306 -3.653 3.413 9.854 1.00 0.00 N ATOM 0 H GLN A 306 -3.957 1.661 6.260 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.472 3.149 5.388 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.140 1.739 8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.590 2.458 7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -1.424 4.667 7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -3.068 4.180 7.410 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -4.355 3.141 9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 306 -3.869 3.362 10.850 1.00 0.00 H new ATOM 440 N TYR A 307 -0.386 1.038 4.732 1.00 0.00 N ATOM 441 CA TYR A 307 0.169 -0.241 4.200 1.00 0.00 C ATOM 442 C TYR A 307 1.528 -0.535 4.841 1.00 0.00 C ATOM 443 O TYR A 307 2.411 0.299 4.849 1.00 0.00 O ATOM 444 CB TYR A 307 0.352 -0.006 2.699 1.00 0.00 C ATOM 445 CG TYR A 307 -0.885 -0.428 1.938 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.091 -0.667 2.609 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.820 -0.578 0.547 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.227 -1.058 1.890 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.955 -0.969 -0.172 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.159 -1.209 0.500 1.00 0.00 C ATOM 451 OH TYR A 307 -4.279 -1.593 -0.208 1.00 0.00 O ATOM 0 H TYR A 307 0.133 1.876 4.469 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.486 -1.086 4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.558 1.048 2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.215 -0.567 2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.145 -0.550 3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.109 -0.391 0.028 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.156 -1.243 2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.902 -1.085 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.243 -1.211 -1.110 1.00 0.00 H new ATOM 461 N LEU A 308 1.711 -1.715 5.363 1.00 0.00 N ATOM 462 CA LEU A 308 3.025 -2.055 5.981 1.00 0.00 C ATOM 463 C LEU A 308 4.061 -2.266 4.876 1.00 0.00 C ATOM 464 O LEU A 308 3.888 -3.094 4.006 1.00 0.00 O ATOM 465 CB LEU A 308 2.779 -3.355 6.745 1.00 0.00 C ATOM 466 CG LEU A 308 4.055 -3.772 7.479 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.420 -2.711 8.518 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.817 -5.109 8.183 1.00 0.00 C ATOM 0 H LEU A 308 1.012 -2.457 5.389 1.00 0.00 H new ATOM 0 HA LEU A 308 3.401 -1.270 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.965 -3.221 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.472 -4.141 6.055 1.00 0.00 H new ATOM 0 HG LEU A 308 4.870 -3.872 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 308 5.329 -3.010 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.585 -1.756 8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.606 -2.610 9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.724 -5.410 8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.002 -5.003 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.556 -5.867 7.445 1.00 0.00 H new ATOM 480 N VAL A 309 5.129 -1.517 4.890 1.00 0.00 N ATOM 481 CA VAL A 309 6.157 -1.684 3.823 1.00 0.00 C ATOM 482 C VAL A 309 7.509 -2.072 4.423 1.00 0.00 C ATOM 483 O VAL A 309 7.813 -1.758 5.557 1.00 0.00 O ATOM 484 CB VAL A 309 6.255 -0.320 3.142 1.00 0.00 C ATOM 485 CG1 VAL A 309 6.980 -0.479 1.805 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.850 0.236 2.897 1.00 0.00 C ATOM 0 H VAL A 309 5.334 -0.802 5.588 1.00 0.00 H new ATOM 0 HA VAL A 309 5.884 -2.476 3.125 1.00 0.00 H new ATOM 0 HB VAL A 309 6.807 0.369 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.053 0.491 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.981 -0.875 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.423 -1.167 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.923 1.209 2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.294 -0.449 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.330 0.344 3.849 1.00 0.00 H new ATOM 496 N LYS A 310 8.328 -2.743 3.661 1.00 0.00 N ATOM 497 CA LYS A 310 9.669 -3.144 4.169 1.00 0.00 C ATOM 498 C LYS A 310 10.751 -2.314 3.473 1.00 0.00 C ATOM 499 O LYS A 310 11.267 -2.689 2.438 1.00 0.00 O ATOM 500 CB LYS A 310 9.808 -4.623 3.806 1.00 0.00 C ATOM 501 CG LYS A 310 9.425 -5.484 5.012 1.00 0.00 C ATOM 502 CD LYS A 310 10.684 -6.118 5.608 1.00 0.00 C ATOM 503 CE LYS A 310 10.317 -7.437 6.291 1.00 0.00 C ATOM 504 NZ LYS A 310 11.530 -8.291 6.154 1.00 0.00 N ATOM 0 H LYS A 310 8.125 -3.032 2.704 1.00 0.00 H new ATOM 0 HA LYS A 310 9.776 -2.982 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 310 9.167 -4.862 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.832 -4.839 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 310 8.922 -4.874 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 310 8.722 -6.260 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 310 11.421 -6.295 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 310 11.141 -5.438 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 310 10.060 -7.281 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 310 9.452 -7.900 5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 11.356 -9.215 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 11.746 -8.428 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 12.335 -7.828 6.621 1.00 0.00 H new ATOM 681 N THR A 320 8.041 -0.610 8.382 1.00 0.00 N ATOM 682 CA THR A 320 7.113 0.094 9.313 1.00 0.00 C ATOM 683 C THR A 320 5.733 0.243 8.669 1.00 0.00 C ATOM 684 O THR A 320 5.401 -0.443 7.723 1.00 0.00 O ATOM 685 CB THR A 320 7.745 1.468 9.547 1.00 0.00 C ATOM 686 OG1 THR A 320 8.048 2.068 8.296 1.00 0.00 O ATOM 687 CG2 THR A 320 9.029 1.309 10.363 1.00 0.00 C ATOM 0 HA THR A 320 6.974 -0.453 10.246 1.00 0.00 H new ATOM 0 HB THR A 320 7.046 2.101 10.094 1.00 0.00 H new ATOM 0 HG1 THR A 320 7.546 2.905 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.478 2.288 10.529 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.795 0.849 11.323 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.730 0.676 9.819 1.00 0.00 H new ATOM 695 N TRP A 321 4.928 1.135 9.175 1.00 0.00 N ATOM 696 CA TRP A 321 3.569 1.327 8.595 1.00 0.00 C ATOM 697 C TRP A 321 3.455 2.712 7.954 1.00 0.00 C ATOM 698 O TRP A 321 3.791 3.714 8.554 1.00 0.00 O ATOM 699 CB TRP A 321 2.614 1.218 9.782 1.00 0.00 C ATOM 700 CG TRP A 321 2.190 -0.205 9.964 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.587 -1.006 10.978 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.295 -1.004 9.135 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.990 -2.246 10.830 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.184 -2.294 9.709 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.574 -0.740 7.956 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.386 -3.285 9.132 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.227 -1.735 7.374 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.322 -3.004 7.962 1.00 0.00 C ATOM 0 H TRP A 321 5.152 1.740 9.965 1.00 0.00 H new ATOM 0 HA TRP A 321 3.348 0.595 7.818 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.102 1.580 10.687 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.741 1.849 9.617 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.260 -0.724 11.774 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.128 -3.028 11.470 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.637 0.235 7.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.317 -4.262 9.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.774 -1.522 6.467 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -0.942 -3.764 7.510 1.00 0.00 H new ATOM 719 N GLU A 322 2.973 2.777 6.746 1.00 0.00 N ATOM 720 CA GLU A 322 2.823 4.096 6.072 1.00 0.00 C ATOM 721 C GLU A 322 1.472 4.157 5.361 1.00 0.00 C ATOM 722 O GLU A 322 0.881 3.143 5.051 1.00 0.00 O ATOM 723 CB GLU A 322 3.967 4.166 5.061 1.00 0.00 C ATOM 724 CG GLU A 322 5.203 4.768 5.732 1.00 0.00 C ATOM 725 CD GLU A 322 5.800 3.752 6.707 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.589 2.568 6.500 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.458 4.174 7.643 1.00 0.00 O ATOM 0 H GLU A 322 2.676 1.972 6.195 1.00 0.00 H new ATOM 0 HA GLU A 322 2.859 4.929 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.194 3.169 4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.673 4.772 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.941 5.042 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 322 4.934 5.682 6.262 1.00 0.00 H new ATOM 734 N ASN A 323 0.976 5.332 5.097 1.00 0.00 N ATOM 735 CA ASN A 323 -0.336 5.439 4.407 1.00 0.00 C ATOM 736 C ASN A 323 -0.302 4.637 3.108 1.00 0.00 C ATOM 737 O ASN A 323 0.609 4.766 2.314 1.00 0.00 O ATOM 738 CB ASN A 323 -0.509 6.929 4.114 1.00 0.00 C ATOM 739 CG ASN A 323 -0.943 7.654 5.390 1.00 0.00 C ATOM 740 OD1 ASN A 323 -0.835 7.116 6.475 1.00 0.00 O ATOM 741 ND2 ASN A 323 -1.433 8.860 5.307 1.00 0.00 N ATOM 0 H ASN A 323 1.421 6.220 5.329 1.00 0.00 H new ATOM 0 HA ASN A 323 -1.157 5.047 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.427 7.349 3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.253 7.072 3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -1.725 9.351 6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -1.524 9.312 4.397 1.00 0.00 H new ATOM 748 N ALA A 324 -1.293 3.824 2.872 1.00 0.00 N ATOM 749 CA ALA A 324 -1.308 3.039 1.608 1.00 0.00 C ATOM 750 C ALA A 324 -1.415 4.013 0.442 1.00 0.00 C ATOM 751 O ALA A 324 -1.154 3.679 -0.695 1.00 0.00 O ATOM 752 CB ALA A 324 -2.550 2.153 1.694 1.00 0.00 C ATOM 0 H ALA A 324 -2.087 3.670 3.494 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.412 2.436 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.626 1.544 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.474 1.503 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.438 2.779 1.785 1.00 0.00 H new ATOM 758 N THR A 325 -1.783 5.228 0.732 1.00 0.00 N ATOM 759 CA THR A 325 -1.899 6.252 -0.338 1.00 0.00 C ATOM 760 C THR A 325 -0.498 6.724 -0.727 1.00 0.00 C ATOM 761 O THR A 325 -0.149 6.785 -1.890 1.00 0.00 O ATOM 762 CB THR A 325 -2.717 7.377 0.303 1.00 0.00 C ATOM 763 OG1 THR A 325 -4.100 7.134 0.090 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.337 8.726 -0.306 1.00 0.00 C ATOM 0 H THR A 325 -2.010 5.557 1.671 1.00 0.00 H new ATOM 0 HA THR A 325 -2.373 5.887 -1.249 1.00 0.00 H new ATOM 0 HB THR A 325 -2.506 7.402 1.372 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.625 7.852 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.927 9.515 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.277 8.917 -0.136 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.535 8.710 -1.378 1.00 0.00 H new ATOM 772 N ASP A 326 0.309 7.043 0.242 1.00 0.00 N ATOM 773 CA ASP A 326 1.691 7.491 -0.066 1.00 0.00 C ATOM 774 C ASP A 326 2.444 6.352 -0.748 1.00 0.00 C ATOM 775 O ASP A 326 3.047 6.527 -1.786 1.00 0.00 O ATOM 776 CB ASP A 326 2.320 7.819 1.287 1.00 0.00 C ATOM 777 CG ASP A 326 2.245 9.328 1.532 1.00 0.00 C ATOM 778 OD1 ASP A 326 2.675 10.071 0.666 1.00 0.00 O ATOM 779 OD2 ASP A 326 1.756 9.714 2.582 1.00 0.00 O ATOM 0 H ASP A 326 0.071 7.013 1.233 1.00 0.00 H new ATOM 0 HA ASP A 326 1.717 8.352 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 326 1.799 7.284 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.358 7.488 1.307 1.00 0.00 H new ATOM 784 N ILE A 327 2.397 5.178 -0.180 1.00 0.00 N ATOM 785 CA ILE A 327 3.098 4.024 -0.806 1.00 0.00 C ATOM 786 C ILE A 327 2.517 3.773 -2.199 1.00 0.00 C ATOM 787 O ILE A 327 3.201 3.325 -3.093 1.00 0.00 O ATOM 788 CB ILE A 327 2.833 2.840 0.126 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.631 3.030 1.415 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.270 1.539 -0.551 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.092 3.319 1.066 1.00 0.00 C ATOM 0 H ILE A 327 1.904 4.969 0.688 1.00 0.00 H new ATOM 0 HA ILE A 327 4.167 4.194 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 327 1.768 2.788 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.214 3.852 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.563 2.135 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.079 0.699 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.708 1.403 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.335 1.587 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.665 3.455 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.504 2.482 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.150 4.226 0.464 1.00 0.00 H new ATOM 803 N VAL A 328 1.266 4.082 -2.400 1.00 0.00 N ATOM 804 CA VAL A 328 0.675 3.887 -3.751 1.00 0.00 C ATOM 805 C VAL A 328 1.420 4.799 -4.725 1.00 0.00 C ATOM 806 O VAL A 328 1.830 4.395 -5.794 1.00 0.00 O ATOM 807 CB VAL A 328 -0.794 4.306 -3.606 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.324 4.867 -4.931 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.626 3.089 -3.205 1.00 0.00 C ATOM 0 H VAL A 328 0.633 4.458 -1.694 1.00 0.00 H new ATOM 0 HA VAL A 328 0.749 2.865 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.868 5.079 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.367 5.159 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.734 5.737 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.248 4.104 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.671 3.381 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.539 2.320 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.262 2.696 -2.255 1.00 0.00 H new ATOM 819 N LYS A 329 1.607 6.027 -4.337 1.00 0.00 N ATOM 820 CA LYS A 329 2.340 6.991 -5.203 1.00 0.00 C ATOM 821 C LYS A 329 3.847 6.743 -5.086 1.00 0.00 C ATOM 822 O LYS A 329 4.556 6.685 -6.071 1.00 0.00 O ATOM 823 CB LYS A 329 1.969 8.367 -4.650 1.00 0.00 C ATOM 824 CG LYS A 329 2.653 9.458 -5.474 1.00 0.00 C ATOM 825 CD LYS A 329 2.997 10.638 -4.562 1.00 0.00 C ATOM 826 CE LYS A 329 2.118 11.838 -4.922 1.00 0.00 C ATOM 827 NZ LYS A 329 2.988 13.028 -4.714 1.00 0.00 N ATOM 0 H LYS A 329 1.281 6.409 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 329 2.083 6.897 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 329 0.888 8.501 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 329 2.272 8.443 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 329 3.558 9.066 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 329 1.997 9.786 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 329 2.843 10.361 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 329 4.050 10.900 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 329 1.771 11.778 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 329 1.231 11.882 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 2.455 13.892 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 3.297 13.063 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 3.820 12.962 -5.334 1.00 0.00 H new ATOM 841 N LEU A 330 4.337 6.577 -3.885 1.00 0.00 N ATOM 842 CA LEU A 330 5.789 6.311 -3.700 1.00 0.00 C ATOM 843 C LEU A 330 6.136 4.968 -4.338 1.00 0.00 C ATOM 844 O LEU A 330 7.122 4.823 -5.034 1.00 0.00 O ATOM 845 CB LEU A 330 5.979 6.243 -2.188 1.00 0.00 C ATOM 846 CG LEU A 330 7.247 7.002 -1.792 1.00 0.00 C ATOM 847 CD1 LEU A 330 6.941 8.499 -1.715 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.728 6.510 -0.425 1.00 0.00 C ATOM 0 H LEU A 330 3.791 6.615 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 330 6.424 7.070 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.114 6.673 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.051 5.204 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 330 8.024 6.827 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 330 7.844 9.041 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.596 8.850 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.165 8.674 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.631 7.050 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 330 6.951 6.686 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 330 7.944 5.443 -0.478 1.00 0.00 H new ATOM 860 N ALA A 331 5.312 3.989 -4.102 1.00 0.00 N ATOM 861 CA ALA A 331 5.545 2.640 -4.680 1.00 0.00 C ATOM 862 C ALA A 331 4.217 2.072 -5.190 1.00 0.00 C ATOM 863 O ALA A 331 3.624 1.219 -4.560 1.00 0.00 O ATOM 864 CB ALA A 331 6.080 1.797 -3.521 1.00 0.00 C ATOM 0 H ALA A 331 4.475 4.068 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 331 6.240 2.655 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.277 0.783 -3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.004 2.238 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.341 1.768 -2.720 1.00 0.00 H new ATOM 870 N PRO A 332 3.790 2.578 -6.315 1.00 0.00 N ATOM 871 CA PRO A 332 2.509 2.127 -6.917 1.00 0.00 C ATOM 872 C PRO A 332 2.633 0.682 -7.404 1.00 0.00 C ATOM 873 O PRO A 332 1.813 -0.160 -7.096 1.00 0.00 O ATOM 874 CB PRO A 332 2.308 3.085 -8.091 1.00 0.00 C ATOM 875 CG PRO A 332 3.682 3.571 -8.426 1.00 0.00 C ATOM 876 CD PRO A 332 4.453 3.598 -7.132 1.00 0.00 C ATOM 0 HA PRO A 332 1.674 2.142 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.849 2.579 -8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.651 3.911 -7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.161 2.911 -9.149 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.644 4.563 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.506 3.365 -7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.410 4.580 -6.660 1.00 0.00 H new ATOM 884 N GLU A 333 3.655 0.388 -8.160 1.00 0.00 N ATOM 885 CA GLU A 333 3.834 -1.004 -8.663 1.00 0.00 C ATOM 886 C GLU A 333 3.800 -1.988 -7.492 1.00 0.00 C ATOM 887 O GLU A 333 3.343 -3.106 -7.620 1.00 0.00 O ATOM 888 CB GLU A 333 5.207 -1.011 -9.336 1.00 0.00 C ATOM 889 CG GLU A 333 5.575 -2.444 -9.728 1.00 0.00 C ATOM 890 CD GLU A 333 6.249 -2.443 -11.102 1.00 0.00 C ATOM 891 OE1 GLU A 333 7.372 -1.975 -11.188 1.00 0.00 O ATOM 892 OE2 GLU A 333 5.630 -2.911 -12.044 1.00 0.00 O ATOM 0 H GLU A 333 4.374 1.051 -8.451 1.00 0.00 H new ATOM 0 HA GLU A 333 3.046 -1.302 -9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.194 -0.373 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.958 -0.603 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 333 6.245 -2.875 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.681 -3.067 -9.751 1.00 0.00 H new ATOM 899 N GLN A 334 4.275 -1.576 -6.348 1.00 0.00 N ATOM 900 CA GLN A 334 4.265 -2.485 -5.167 1.00 0.00 C ATOM 901 C GLN A 334 2.851 -2.568 -4.589 1.00 0.00 C ATOM 902 O GLN A 334 2.275 -3.633 -4.481 1.00 0.00 O ATOM 903 CB GLN A 334 5.220 -1.845 -4.160 1.00 0.00 C ATOM 904 CG GLN A 334 6.655 -2.276 -4.471 1.00 0.00 C ATOM 905 CD GLN A 334 7.278 -1.299 -5.471 1.00 0.00 C ATOM 906 OE1 GLN A 334 6.630 -0.867 -6.403 1.00 0.00 O ATOM 907 NE2 GLN A 334 8.521 -0.931 -5.316 1.00 0.00 N ATOM 0 H GLN A 334 4.669 -0.650 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 334 4.570 -3.500 -5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.138 -0.759 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 334 4.951 -2.144 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.245 -2.300 -3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.662 -3.286 -4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 334 9.066 -1.293 -4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 334 8.947 -0.281 -5.977 1.00 0.00 H new ATOM 916 N VAL A 335 2.284 -1.451 -4.220 1.00 0.00 N ATOM 917 CA VAL A 335 0.907 -1.471 -3.656 1.00 0.00 C ATOM 918 C VAL A 335 -0.027 -2.211 -4.617 1.00 0.00 C ATOM 919 O VAL A 335 -0.768 -3.083 -4.217 1.00 0.00 O ATOM 920 CB VAL A 335 0.528 0.008 -3.493 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.984 0.211 -3.646 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.951 0.469 -2.097 1.00 0.00 C ATOM 0 H VAL A 335 2.715 -0.529 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 335 0.835 -1.993 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 335 1.034 0.587 -4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.223 1.268 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.297 -0.122 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.508 -0.368 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.688 1.519 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.438 -0.130 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.028 0.348 -1.985 1.00 0.00 H new ATOM 932 N LYS A 336 0.011 -1.892 -5.881 1.00 0.00 N ATOM 933 CA LYS A 336 -0.871 -2.615 -6.841 1.00 0.00 C ATOM 934 C LYS A 336 -0.575 -4.112 -6.743 1.00 0.00 C ATOM 935 O LYS A 336 -1.471 -4.930 -6.672 1.00 0.00 O ATOM 936 CB LYS A 336 -0.498 -2.072 -8.222 1.00 0.00 C ATOM 937 CG LYS A 336 -1.600 -2.422 -9.223 1.00 0.00 C ATOM 938 CD LYS A 336 -2.202 -1.136 -9.791 1.00 0.00 C ATOM 939 CE LYS A 336 -1.272 -0.568 -10.865 1.00 0.00 C ATOM 940 NZ LYS A 336 -1.691 -1.238 -12.127 1.00 0.00 N ATOM 0 H LYS A 336 0.607 -1.171 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.933 -2.471 -6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.364 -0.991 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.452 -2.497 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -1.193 -3.032 -10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -2.374 -3.014 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -3.185 -1.339 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.344 -0.406 -8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -1.371 0.515 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -0.227 -0.777 -10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -1.099 -0.900 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -1.580 -2.267 -12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -2.687 -1.015 -12.324 1.00 0.00 H new ATOM 954 N HIS A 337 0.680 -4.472 -6.710 1.00 0.00 N ATOM 955 CA HIS A 337 1.034 -5.913 -6.580 1.00 0.00 C ATOM 956 C HIS A 337 0.590 -6.397 -5.200 1.00 0.00 C ATOM 957 O HIS A 337 0.158 -7.520 -5.027 1.00 0.00 O ATOM 958 CB HIS A 337 2.557 -5.968 -6.709 1.00 0.00 C ATOM 959 CG HIS A 337 2.988 -7.385 -6.969 1.00 0.00 C ATOM 960 ND1 HIS A 337 2.133 -8.460 -6.786 1.00 0.00 N ATOM 961 CD2 HIS A 337 4.177 -7.920 -7.396 1.00 0.00 C ATOM 962 CE1 HIS A 337 2.813 -9.577 -7.099 1.00 0.00 C ATOM 963 NE2 HIS A 337 4.065 -9.305 -7.478 1.00 0.00 N ATOM 0 H HIS A 337 1.472 -3.832 -6.767 1.00 0.00 H new ATOM 0 HA HIS A 337 0.555 -6.543 -7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.887 -5.321 -7.522 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.023 -5.596 -5.797 1.00 0.00 H new ATOM 0 HD1 HIS A 337 1.164 -8.413 -6.471 1.00 0.00 H new ATOM 0 HD2 HIS A 337 5.065 -7.353 -7.633 1.00 0.00 H new ATOM 0 HE1 HIS A 337 2.398 -10.573 -7.050 1.00 0.00 H new ATOM 971 N PHE A 338 0.676 -5.537 -4.222 1.00 0.00 N ATOM 972 CA PHE A 338 0.242 -5.907 -2.847 1.00 0.00 C ATOM 973 C PHE A 338 -1.285 -5.994 -2.811 1.00 0.00 C ATOM 974 O PHE A 338 -1.862 -6.854 -2.177 1.00 0.00 O ATOM 975 CB PHE A 338 0.732 -4.761 -1.965 1.00 0.00 C ATOM 976 CG PHE A 338 0.031 -4.815 -0.631 1.00 0.00 C ATOM 977 CD1 PHE A 338 0.030 -5.996 0.118 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.619 -3.677 -0.144 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.622 -6.039 1.355 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.271 -3.718 1.093 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.271 -4.900 1.845 1.00 0.00 C ATOM 0 H PHE A 338 1.032 -4.586 -4.319 1.00 0.00 H new ATOM 0 HA PHE A 338 0.636 -6.869 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.810 -4.833 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.537 -3.805 -2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.532 -6.875 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.618 -2.766 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.625 -6.952 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.774 -2.839 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.771 -4.932 2.802 1.00 0.00 H new ATOM 991 N GLN A 339 -1.932 -5.098 -3.504 1.00 0.00 N ATOM 992 CA GLN A 339 -3.420 -5.094 -3.546 1.00 0.00 C ATOM 993 C GLN A 339 -3.929 -6.370 -4.213 1.00 0.00 C ATOM 994 O GLN A 339 -4.874 -6.987 -3.760 1.00 0.00 O ATOM 995 CB GLN A 339 -3.771 -3.875 -4.393 1.00 0.00 C ATOM 996 CG GLN A 339 -4.432 -2.811 -3.515 1.00 0.00 C ATOM 997 CD GLN A 339 -5.950 -2.871 -3.698 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.463 -2.497 -4.734 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.695 -3.329 -2.730 1.00 0.00 N ATOM 0 H GLN A 339 -1.487 -4.360 -4.049 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.869 -5.054 -2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.871 -3.470 -4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.444 -4.163 -5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.174 -2.976 -2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -4.061 -1.822 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -6.265 -3.643 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.708 -3.373 -2.843 1.00 0.00 H new