USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 287 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 307 TYR OH : rot 30:sc= 0.193 USER MOD Set 1.2: A 339 GLN : amide:sc= 0.0378 K(o=0.23,f=-1.7!) USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 294 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 306 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -25:sc= 0.488 USER MOD Single : A 323 ASN : amide:sc= -0.029 K(o=-0.029,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= -3.59! C(o=-3.6!,f=-9.3!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.625 1.851 -1.057 1.00 0.00 N ATOM 134 CA PRO A 287 9.942 0.656 -0.500 1.00 0.00 C ATOM 135 C PRO A 287 10.245 -0.580 -1.353 1.00 0.00 C ATOM 136 O PRO A 287 10.273 -0.516 -2.566 1.00 0.00 O ATOM 137 CB PRO A 287 8.463 1.021 -0.586 1.00 0.00 C ATOM 138 CG PRO A 287 8.381 2.030 -1.687 1.00 0.00 C ATOM 139 CD PRO A 287 9.685 2.779 -1.694 1.00 0.00 C ATOM 0 HA PRO A 287 10.261 0.413 0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 287 7.852 0.146 -0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.102 1.434 0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.212 1.541 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.546 2.711 -1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 287 9.996 3.031 -2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.611 3.716 -1.142 1.00 0.00 H new ATOM 147 N GLU A 288 10.466 -1.706 -0.730 1.00 0.00 N ATOM 148 CA GLU A 288 10.759 -2.942 -1.511 1.00 0.00 C ATOM 149 C GLU A 288 9.451 -3.641 -1.896 1.00 0.00 C ATOM 150 O GLU A 288 9.263 -4.054 -3.023 1.00 0.00 O ATOM 151 CB GLU A 288 11.581 -3.823 -0.569 1.00 0.00 C ATOM 152 CG GLU A 288 12.186 -4.987 -1.358 1.00 0.00 C ATOM 153 CD GLU A 288 12.885 -5.948 -0.395 1.00 0.00 C ATOM 154 OE1 GLU A 288 12.198 -6.754 0.210 1.00 0.00 O ATOM 155 OE2 GLU A 288 14.097 -5.862 -0.279 1.00 0.00 O ATOM 0 H GLU A 288 10.456 -1.823 0.283 1.00 0.00 H new ATOM 0 HA GLU A 288 11.293 -2.730 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.372 -3.236 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.950 -4.203 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 288 11.405 -5.511 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 288 12.897 -4.611 -2.093 1.00 0.00 H new ATOM 162 N ARG A 289 8.548 -3.772 -0.964 1.00 0.00 N ATOM 163 CA ARG A 289 7.249 -4.439 -1.266 1.00 0.00 C ATOM 164 C ARG A 289 6.309 -4.306 -0.066 1.00 0.00 C ATOM 165 O ARG A 289 6.734 -4.008 1.032 1.00 0.00 O ATOM 166 CB ARG A 289 7.602 -5.907 -1.513 1.00 0.00 C ATOM 167 CG ARG A 289 8.002 -6.566 -0.190 1.00 0.00 C ATOM 168 CD ARG A 289 9.068 -7.633 -0.451 1.00 0.00 C ATOM 169 NE ARG A 289 8.327 -8.782 -1.042 1.00 0.00 N ATOM 170 CZ ARG A 289 7.647 -9.586 -0.272 1.00 0.00 C ATOM 171 NH1 ARG A 289 6.417 -9.293 0.053 1.00 0.00 N ATOM 172 NH2 ARG A 289 8.195 -10.683 0.173 1.00 0.00 N ATOM 0 H ARG A 289 8.653 -3.445 -0.004 1.00 0.00 H new ATOM 0 HA ARG A 289 6.742 -3.997 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.750 -6.429 -1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.420 -5.980 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.386 -5.815 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.129 -7.017 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.835 -7.266 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.572 -7.921 0.471 1.00 0.00 H new ATOM 0 HE ARG A 289 8.351 -8.940 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 289 5.988 -8.436 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 289 5.885 -9.921 0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 289 9.156 -10.913 -0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 289 7.663 -11.311 0.775 1.00 0.00 H new ATOM 186 N ILE A 290 5.038 -4.530 -0.257 1.00 0.00 N ATOM 187 CA ILE A 290 4.094 -4.416 0.891 1.00 0.00 C ATOM 188 C ILE A 290 4.044 -5.740 1.656 1.00 0.00 C ATOM 189 O ILE A 290 4.212 -6.802 1.090 1.00 0.00 O ATOM 190 CB ILE A 290 2.721 -4.113 0.288 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.845 -3.090 -0.846 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.815 -3.544 1.379 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.426 -1.789 -0.305 1.00 0.00 C ATOM 0 H ILE A 290 4.615 -4.785 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 290 4.405 -3.637 1.587 1.00 0.00 H new ATOM 0 HB ILE A 290 2.299 -5.034 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.485 -3.484 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.867 -2.905 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.833 -3.325 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.711 -4.273 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.253 -2.628 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.512 -1.065 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.770 -1.391 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.412 -1.979 0.118 1.00 0.00 H new ATOM 205 N ILE A 291 3.806 -5.686 2.935 1.00 0.00 N ATOM 206 CA ILE A 291 3.733 -6.944 3.735 1.00 0.00 C ATOM 207 C ILE A 291 2.350 -7.074 4.363 1.00 0.00 C ATOM 208 O ILE A 291 1.835 -8.159 4.542 1.00 0.00 O ATOM 209 CB ILE A 291 4.805 -6.840 4.831 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.230 -5.381 5.054 1.00 0.00 C ATOM 211 CG2 ILE A 291 6.020 -7.660 4.415 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.451 -5.345 5.973 1.00 0.00 C ATOM 0 H ILE A 291 3.658 -4.826 3.464 1.00 0.00 H new ATOM 0 HA ILE A 291 3.904 -7.820 3.109 1.00 0.00 H new ATOM 0 HB ILE A 291 4.388 -7.221 5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 291 5.465 -4.909 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 291 4.410 -4.815 5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.786 -7.592 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.728 -8.702 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.416 -7.273 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.755 -4.311 6.133 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.200 -5.802 6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 291 7.270 -5.897 5.512 1.00 0.00 H new ATOM 224 N ASP A 292 1.744 -5.972 4.695 1.00 0.00 N ATOM 225 CA ASP A 292 0.392 -6.025 5.307 1.00 0.00 C ATOM 226 C ASP A 292 -0.317 -4.680 5.132 1.00 0.00 C ATOM 227 O ASP A 292 0.268 -3.716 4.679 1.00 0.00 O ATOM 228 CB ASP A 292 0.640 -6.317 6.788 1.00 0.00 C ATOM 229 CG ASP A 292 -0.690 -6.632 7.476 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.111 -7.775 7.413 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.264 -5.724 8.055 1.00 0.00 O ATOM 0 H ASP A 292 2.128 -5.035 4.569 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.244 -6.781 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.325 -7.159 6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 292 1.114 -5.459 7.264 1.00 0.00 H new ATOM 236 N SER A 293 -1.570 -4.605 5.487 1.00 0.00 N ATOM 237 CA SER A 293 -2.307 -3.317 5.338 1.00 0.00 C ATOM 238 C SER A 293 -3.078 -2.996 6.622 1.00 0.00 C ATOM 239 O SER A 293 -3.349 -3.863 7.428 1.00 0.00 O ATOM 240 CB SER A 293 -3.269 -3.545 4.175 1.00 0.00 C ATOM 241 OG SER A 293 -3.712 -4.897 4.190 1.00 0.00 O ATOM 0 H SER A 293 -2.115 -5.377 5.873 1.00 0.00 H new ATOM 0 HA SER A 293 -1.638 -2.476 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.121 -2.870 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.774 -3.323 3.230 1.00 0.00 H new ATOM 0 HG SER A 293 -4.331 -5.047 3.445 1.00 0.00 H new ATOM 247 N GLN A 294 -3.429 -1.754 6.818 1.00 0.00 N ATOM 248 CA GLN A 294 -4.179 -1.380 8.050 1.00 0.00 C ATOM 249 C GLN A 294 -5.127 -0.211 7.768 1.00 0.00 C ATOM 250 O GLN A 294 -4.748 0.941 7.842 1.00 0.00 O ATOM 251 CB GLN A 294 -3.102 -0.967 9.054 1.00 0.00 C ATOM 252 CG GLN A 294 -3.712 -0.889 10.454 1.00 0.00 C ATOM 253 CD GLN A 294 -3.636 -2.263 11.122 1.00 0.00 C ATOM 254 OE1 GLN A 294 -2.690 -2.557 11.826 1.00 0.00 O ATOM 255 NE2 GLN A 294 -4.599 -3.122 10.930 1.00 0.00 N ATOM 0 H GLN A 294 -3.229 -0.984 6.180 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.795 -2.199 8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.284 -1.687 9.042 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.681 -0.001 8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -3.179 -0.151 11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.749 -0.560 10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -5.393 -2.875 10.339 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -4.558 -4.041 11.371 1.00 0.00 H new ATOM 404 N LEU A 305 -5.981 4.964 6.079 1.00 0.00 N ATOM 405 CA LEU A 305 -5.440 3.742 5.417 1.00 0.00 C ATOM 406 C LEU A 305 -3.911 3.726 5.494 1.00 0.00 C ATOM 407 O LEU A 305 -3.260 4.739 5.333 1.00 0.00 O ATOM 408 CB LEU A 305 -5.905 3.852 3.966 1.00 0.00 C ATOM 409 CG LEU A 305 -5.379 2.661 3.166 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.852 1.359 3.813 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.908 2.740 1.733 1.00 0.00 C ATOM 0 HA LEU A 305 -5.786 2.824 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -6.994 3.879 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.546 4.784 3.528 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.289 2.683 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.476 0.511 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.476 1.303 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.942 1.334 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.534 1.891 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.998 2.718 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.570 3.667 1.271 1.00 0.00 H new ATOM 423 N GLN A 306 -3.330 2.581 5.739 1.00 0.00 N ATOM 424 CA GLN A 306 -1.844 2.503 5.826 1.00 0.00 C ATOM 425 C GLN A 306 -1.351 1.132 5.346 1.00 0.00 C ATOM 426 O GLN A 306 -1.911 0.108 5.682 1.00 0.00 O ATOM 427 CB GLN A 306 -1.525 2.696 7.310 1.00 0.00 C ATOM 428 CG GLN A 306 -1.555 4.188 7.650 1.00 0.00 C ATOM 429 CD GLN A 306 -1.273 4.380 9.141 1.00 0.00 C ATOM 430 OE1 GLN A 306 -2.166 4.274 9.959 1.00 0.00 O ATOM 431 NE2 GLN A 306 -0.060 4.659 9.532 1.00 0.00 N ATOM 0 H GLN A 306 -3.820 1.698 5.882 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.356 3.250 5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.250 2.158 7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.544 2.280 7.539 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -0.812 4.721 7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.528 4.610 7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 306 0.689 4.748 8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 306 0.139 4.788 10.524 1.00 0.00 H new ATOM 440 N TYR A 307 -0.306 1.109 4.563 1.00 0.00 N ATOM 441 CA TYR A 307 0.233 -0.192 4.060 1.00 0.00 C ATOM 442 C TYR A 307 1.604 -0.475 4.683 1.00 0.00 C ATOM 443 O TYR A 307 2.497 0.348 4.637 1.00 0.00 O ATOM 444 CB TYR A 307 0.386 -0.002 2.549 1.00 0.00 C ATOM 445 CG TYR A 307 -0.857 -0.464 1.821 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.055 -0.679 2.515 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.806 -0.676 0.437 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.196 -1.105 1.824 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.948 -1.101 -0.252 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.143 -1.317 0.441 1.00 0.00 C ATOM 451 OH TYR A 307 -4.269 -1.735 -0.237 1.00 0.00 O ATOM 0 H TYR A 307 0.200 1.937 4.248 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.421 -1.027 4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.573 1.049 2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.251 -0.562 2.193 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.098 -0.516 3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.117 -0.511 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.119 -1.270 2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.906 -1.262 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 307 -5.069 -1.395 0.216 1.00 0.00 H new ATOM 461 N LEU A 308 1.788 -1.638 5.250 1.00 0.00 N ATOM 462 CA LEU A 308 3.113 -1.967 5.851 1.00 0.00 C ATOM 463 C LEU A 308 4.127 -2.220 4.733 1.00 0.00 C ATOM 464 O LEU A 308 3.917 -3.053 3.874 1.00 0.00 O ATOM 465 CB LEU A 308 2.880 -3.241 6.665 1.00 0.00 C ATOM 466 CG LEU A 308 4.109 -3.531 7.528 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.206 -2.489 8.644 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.981 -4.926 8.142 1.00 0.00 C ATOM 0 H LEU A 308 1.082 -2.371 5.323 1.00 0.00 H new ATOM 0 HA LEU A 308 3.504 -1.162 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.999 -3.125 7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.686 -4.081 5.998 1.00 0.00 H new ATOM 0 HG LEU A 308 5.006 -3.486 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 308 5.082 -2.695 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.296 -1.495 8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.309 -2.534 9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.856 -5.134 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.084 -4.971 8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.911 -5.668 7.347 1.00 0.00 H new ATOM 480 N VAL A 309 5.213 -1.497 4.721 1.00 0.00 N ATOM 481 CA VAL A 309 6.218 -1.698 3.636 1.00 0.00 C ATOM 482 C VAL A 309 7.565 -2.141 4.209 1.00 0.00 C ATOM 483 O VAL A 309 7.882 -1.888 5.355 1.00 0.00 O ATOM 484 CB VAL A 309 6.345 -0.328 2.970 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.100 -0.470 1.648 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.949 0.237 2.701 1.00 0.00 C ATOM 0 H VAL A 309 5.448 -0.781 5.409 1.00 0.00 H new ATOM 0 HA VAL A 309 5.913 -2.476 2.937 1.00 0.00 H new ATOM 0 HB VAL A 309 6.892 0.347 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.190 0.507 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.094 -0.874 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.555 -1.145 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 309 5.037 1.214 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.404 -0.439 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.410 0.339 3.643 1.00 0.00 H new ATOM 496 N LYS A 310 8.365 -2.795 3.410 1.00 0.00 N ATOM 497 CA LYS A 310 9.702 -3.251 3.889 1.00 0.00 C ATOM 498 C LYS A 310 10.800 -2.431 3.206 1.00 0.00 C ATOM 499 O LYS A 310 11.281 -2.779 2.146 1.00 0.00 O ATOM 500 CB LYS A 310 9.792 -4.724 3.481 1.00 0.00 C ATOM 501 CG LYS A 310 10.756 -5.459 4.417 1.00 0.00 C ATOM 502 CD LYS A 310 10.086 -6.729 4.946 1.00 0.00 C ATOM 503 CE LYS A 310 11.146 -7.809 5.178 1.00 0.00 C ATOM 504 NZ LYS A 310 11.266 -7.920 6.659 1.00 0.00 N ATOM 0 H LYS A 310 8.149 -3.034 2.442 1.00 0.00 H new ATOM 0 HA LYS A 310 9.827 -3.125 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.805 -5.185 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.137 -4.806 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.673 -5.713 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.038 -4.811 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 310 9.561 -6.515 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 310 9.341 -7.083 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 310 10.846 -8.758 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 310 12.098 -7.532 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 11.976 -8.642 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 11.560 -7.003 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 10.347 -8.192 7.062 1.00 0.00 H new ATOM 681 N THR A 320 8.049 -0.605 8.140 1.00 0.00 N ATOM 682 CA THR A 320 7.141 0.061 9.117 1.00 0.00 C ATOM 683 C THR A 320 5.753 0.246 8.498 1.00 0.00 C ATOM 684 O THR A 320 5.388 -0.433 7.558 1.00 0.00 O ATOM 685 CB THR A 320 7.789 1.418 9.402 1.00 0.00 C ATOM 686 OG1 THR A 320 8.149 2.037 8.174 1.00 0.00 O ATOM 687 CG2 THR A 320 9.039 1.219 10.261 1.00 0.00 C ATOM 0 HA THR A 320 7.010 -0.524 10.028 1.00 0.00 H new ATOM 0 HB THR A 320 7.082 2.053 9.936 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.275 1.350 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.499 2.186 10.463 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.762 0.745 11.203 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.748 0.584 9.730 1.00 0.00 H new ATOM 695 N TRP A 321 4.977 1.158 9.014 1.00 0.00 N ATOM 696 CA TRP A 321 3.614 1.381 8.455 1.00 0.00 C ATOM 697 C TRP A 321 3.524 2.759 7.796 1.00 0.00 C ATOM 698 O TRP A 321 3.870 3.764 8.384 1.00 0.00 O ATOM 699 CB TRP A 321 2.676 1.304 9.657 1.00 0.00 C ATOM 700 CG TRP A 321 2.220 -0.105 9.847 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.565 -0.895 10.887 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.347 -0.904 8.995 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.953 -2.127 10.734 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.192 -2.180 9.584 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.678 -0.646 7.784 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.402 -3.168 8.992 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.117 -1.639 7.186 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.254 -2.896 7.790 1.00 0.00 C ATOM 0 H TRP A 321 5.228 1.759 9.799 1.00 0.00 H new ATOM 0 HA TRP A 321 3.361 0.648 7.689 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.187 1.655 10.553 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.817 1.957 9.503 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.212 -0.612 11.704 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.052 -2.901 11.391 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.776 0.320 7.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.299 -4.136 9.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.625 -1.432 6.256 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -0.867 -3.654 7.326 1.00 0.00 H new ATOM 719 N GLU A 322 3.052 2.811 6.583 1.00 0.00 N ATOM 720 CA GLU A 322 2.924 4.119 5.882 1.00 0.00 C ATOM 721 C GLU A 322 1.557 4.201 5.201 1.00 0.00 C ATOM 722 O GLU A 322 0.955 3.196 4.886 1.00 0.00 O ATOM 723 CB GLU A 322 4.047 4.125 4.841 1.00 0.00 C ATOM 724 CG GLU A 322 5.318 4.710 5.462 1.00 0.00 C ATOM 725 CD GLU A 322 5.880 3.733 6.496 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.767 2.538 6.276 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.417 4.196 7.489 1.00 0.00 O ATOM 0 H GLU A 322 2.748 2.000 6.044 1.00 0.00 H new ATOM 0 HA GLU A 322 3.001 4.969 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.236 3.111 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.749 4.714 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 322 6.060 4.901 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 322 5.097 5.667 5.934 1.00 0.00 H new ATOM 734 N ASN A 323 1.057 5.382 4.968 1.00 0.00 N ATOM 735 CA ASN A 323 -0.268 5.500 4.309 1.00 0.00 C ATOM 736 C ASN A 323 -0.271 4.701 3.008 1.00 0.00 C ATOM 737 O ASN A 323 0.652 4.778 2.220 1.00 0.00 O ATOM 738 CB ASN A 323 -0.437 6.993 4.028 1.00 0.00 C ATOM 739 CG ASN A 323 -0.645 7.740 5.346 1.00 0.00 C ATOM 740 OD1 ASN A 323 -1.224 7.210 6.274 1.00 0.00 O ATOM 741 ND2 ASN A 323 -0.192 8.958 5.472 1.00 0.00 N ATOM 0 H ASN A 323 1.508 6.266 5.205 1.00 0.00 H new ATOM 0 HA ASN A 323 -1.079 5.111 4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.443 7.379 3.514 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.289 7.155 3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -0.324 9.463 6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 323 0.294 9.404 4.694 1.00 0.00 H new ATOM 748 N ALA A 324 -1.304 3.946 2.764 1.00 0.00 N ATOM 749 CA ALA A 324 -1.357 3.163 1.501 1.00 0.00 C ATOM 750 C ALA A 324 -1.478 4.135 0.335 1.00 0.00 C ATOM 751 O ALA A 324 -1.266 3.793 -0.810 1.00 0.00 O ATOM 752 CB ALA A 324 -2.609 2.293 1.613 1.00 0.00 C ATOM 0 H ALA A 324 -2.109 3.838 3.381 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.470 2.550 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.712 1.686 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.523 1.641 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.486 2.930 1.723 1.00 0.00 H new ATOM 758 N THR A 325 -1.806 5.360 0.633 1.00 0.00 N ATOM 759 CA THR A 325 -1.936 6.381 -0.436 1.00 0.00 C ATOM 760 C THR A 325 -0.544 6.859 -0.846 1.00 0.00 C ATOM 761 O THR A 325 -0.236 6.984 -2.014 1.00 0.00 O ATOM 762 CB THR A 325 -2.743 7.503 0.215 1.00 0.00 C ATOM 763 OG1 THR A 325 -4.127 7.192 0.142 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.477 8.824 -0.500 1.00 0.00 C ATOM 0 H THR A 325 -1.990 5.698 1.578 1.00 0.00 H new ATOM 0 HA THR A 325 -2.420 6.011 -1.340 1.00 0.00 H new ATOM 0 HB THR A 325 -2.443 7.599 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.646 7.910 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 325 -3.057 9.617 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.416 9.064 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.768 8.736 -1.547 1.00 0.00 H new ATOM 772 N ASP A 326 0.303 7.110 0.110 1.00 0.00 N ATOM 773 CA ASP A 326 1.682 7.558 -0.225 1.00 0.00 C ATOM 774 C ASP A 326 2.413 6.426 -0.939 1.00 0.00 C ATOM 775 O ASP A 326 2.976 6.610 -1.997 1.00 0.00 O ATOM 776 CB ASP A 326 2.346 7.867 1.116 1.00 0.00 C ATOM 777 CG ASP A 326 2.265 9.369 1.391 1.00 0.00 C ATOM 778 OD1 ASP A 326 2.759 10.128 0.573 1.00 0.00 O ATOM 779 OD2 ASP A 326 1.708 9.735 2.412 1.00 0.00 O ATOM 0 H ASP A 326 0.102 7.025 1.106 1.00 0.00 H new ATOM 0 HA ASP A 326 1.695 8.428 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 326 1.852 7.313 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.387 7.545 1.101 1.00 0.00 H new ATOM 784 N ILE A 327 2.397 5.249 -0.374 1.00 0.00 N ATOM 785 CA ILE A 327 3.081 4.106 -1.036 1.00 0.00 C ATOM 786 C ILE A 327 2.462 3.875 -2.413 1.00 0.00 C ATOM 787 O ILE A 327 3.123 3.449 -3.336 1.00 0.00 O ATOM 788 CB ILE A 327 2.849 2.907 -0.120 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.644 3.107 1.170 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.325 1.628 -0.813 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.098 3.430 0.820 1.00 0.00 C ATOM 0 H ILE A 327 1.942 5.032 0.513 1.00 0.00 H new ATOM 0 HA ILE A 327 4.146 4.282 -1.186 1.00 0.00 H new ATOM 0 HB ILE A 327 1.786 2.820 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.210 3.917 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.596 2.208 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.158 0.774 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.768 1.487 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.388 1.710 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.670 3.574 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.527 2.606 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.135 4.341 0.223 1.00 0.00 H new ATOM 803 N VAL A 328 1.203 4.176 -2.573 1.00 0.00 N ATOM 804 CA VAL A 328 0.579 3.997 -3.910 1.00 0.00 C ATOM 805 C VAL A 328 1.351 4.865 -4.902 1.00 0.00 C ATOM 806 O VAL A 328 1.772 4.418 -5.948 1.00 0.00 O ATOM 807 CB VAL A 328 -0.866 4.482 -3.746 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.393 5.044 -5.071 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.742 3.306 -3.313 1.00 0.00 C ATOM 0 H VAL A 328 0.587 4.534 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 328 0.597 2.970 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.894 5.269 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.420 5.384 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.770 5.882 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.364 4.266 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.772 3.644 -3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.702 2.524 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.378 2.911 -2.364 1.00 0.00 H new ATOM 819 N LYS A 329 1.558 6.102 -4.554 1.00 0.00 N ATOM 820 CA LYS A 329 2.327 7.016 -5.445 1.00 0.00 C ATOM 821 C LYS A 329 3.822 6.731 -5.288 1.00 0.00 C ATOM 822 O LYS A 329 4.536 6.548 -6.253 1.00 0.00 O ATOM 823 CB LYS A 329 1.986 8.423 -4.955 1.00 0.00 C ATOM 824 CG LYS A 329 2.685 9.456 -5.839 1.00 0.00 C ATOM 825 CD LYS A 329 3.165 10.619 -4.970 1.00 0.00 C ATOM 826 CE LYS A 329 2.277 11.841 -5.214 1.00 0.00 C ATOM 827 NZ LYS A 329 2.507 12.725 -4.036 1.00 0.00 N ATOM 0 H LYS A 329 1.226 6.523 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 329 2.081 6.891 -6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 329 0.907 8.577 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 329 2.300 8.544 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 329 3.530 8.999 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 329 2.001 9.818 -6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 329 3.133 10.337 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 329 4.202 10.858 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 329 2.544 12.344 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 329 1.228 11.557 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 1.931 13.586 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 2.238 12.222 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 3.513 12.985 -3.988 1.00 0.00 H new ATOM 841 N LEU A 330 4.293 6.668 -4.072 1.00 0.00 N ATOM 842 CA LEU A 330 5.733 6.367 -3.839 1.00 0.00 C ATOM 843 C LEU A 330 6.074 5.048 -4.525 1.00 0.00 C ATOM 844 O LEU A 330 7.028 4.938 -5.269 1.00 0.00 O ATOM 845 CB LEU A 330 5.857 6.224 -2.321 1.00 0.00 C ATOM 846 CG LEU A 330 7.210 6.764 -1.856 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.135 8.286 -1.732 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.556 6.158 -0.494 1.00 0.00 C ATOM 0 H LEU A 330 3.740 6.813 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 330 6.403 7.132 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.050 6.767 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 330 5.756 5.177 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 330 7.979 6.496 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.099 8.672 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.885 8.718 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.368 8.555 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.520 6.541 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 330 6.787 6.428 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 330 7.607 5.073 -0.581 1.00 0.00 H new ATOM 860 N ALA A 331 5.276 4.049 -4.279 1.00 0.00 N ATOM 861 CA ALA A 331 5.500 2.719 -4.903 1.00 0.00 C ATOM 862 C ALA A 331 4.154 2.135 -5.346 1.00 0.00 C ATOM 863 O ALA A 331 3.586 1.302 -4.668 1.00 0.00 O ATOM 864 CB ALA A 331 6.122 1.861 -3.802 1.00 0.00 C ATOM 0 H ALA A 331 4.465 4.100 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 331 6.142 2.768 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.317 0.860 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.058 2.313 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.435 1.797 -2.958 1.00 0.00 H new ATOM 870 N PRO A 332 3.683 2.604 -6.470 1.00 0.00 N ATOM 871 CA PRO A 332 2.382 2.133 -7.009 1.00 0.00 C ATOM 872 C PRO A 332 2.486 0.671 -7.444 1.00 0.00 C ATOM 873 O PRO A 332 1.602 -0.126 -7.199 1.00 0.00 O ATOM 874 CB PRO A 332 2.138 3.050 -8.209 1.00 0.00 C ATOM 875 CG PRO A 332 3.497 3.524 -8.608 1.00 0.00 C ATOM 876 CD PRO A 332 4.314 3.597 -7.346 1.00 0.00 C ATOM 0 HA PRO A 332 1.572 2.174 -6.281 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.651 2.514 -9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.490 3.885 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 332 3.951 2.840 -9.325 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.441 4.500 -9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.361 3.360 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.286 4.594 -6.907 1.00 0.00 H new ATOM 884 N GLU A 333 3.566 0.310 -8.084 1.00 0.00 N ATOM 885 CA GLU A 333 3.729 -1.102 -8.527 1.00 0.00 C ATOM 886 C GLU A 333 3.648 -2.038 -7.319 1.00 0.00 C ATOM 887 O GLU A 333 3.130 -3.134 -7.404 1.00 0.00 O ATOM 888 CB GLU A 333 5.117 -1.160 -9.163 1.00 0.00 C ATOM 889 CG GLU A 333 5.148 -2.260 -10.225 1.00 0.00 C ATOM 890 CD GLU A 333 6.587 -2.742 -10.417 1.00 0.00 C ATOM 891 OE1 GLU A 333 7.433 -2.350 -9.629 1.00 0.00 O ATOM 892 OE2 GLU A 333 6.820 -3.495 -11.347 1.00 0.00 O ATOM 0 H GLU A 333 4.340 0.932 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 333 2.952 -1.413 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.362 -0.198 -9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.870 -1.356 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.512 -3.092 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.751 -1.882 -11.167 1.00 0.00 H new ATOM 899 N GLN A 334 4.153 -1.611 -6.195 1.00 0.00 N ATOM 900 CA GLN A 334 4.101 -2.472 -4.979 1.00 0.00 C ATOM 901 C GLN A 334 2.676 -2.510 -4.428 1.00 0.00 C ATOM 902 O GLN A 334 2.074 -3.559 -4.309 1.00 0.00 O ATOM 903 CB GLN A 334 5.049 -1.808 -3.978 1.00 0.00 C ATOM 904 CG GLN A 334 6.480 -2.283 -4.236 1.00 0.00 C ATOM 905 CD GLN A 334 7.045 -1.562 -5.461 1.00 0.00 C ATOM 906 OE1 GLN A 334 6.883 -0.367 -5.605 1.00 0.00 O ATOM 907 NE2 GLN A 334 7.708 -2.244 -6.357 1.00 0.00 N ATOM 0 H GLN A 334 4.600 -0.703 -6.065 1.00 0.00 H new ATOM 0 HA GLN A 334 4.391 -3.502 -5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 334 4.992 -0.724 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 334 4.751 -2.056 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.103 -2.084 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.493 -3.361 -4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 334 7.844 -3.248 -6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 334 8.089 -1.773 -7.177 1.00 0.00 H new ATOM 916 N VAL A 335 2.127 -1.375 -4.094 1.00 0.00 N ATOM 917 CA VAL A 335 0.738 -1.353 -3.559 1.00 0.00 C ATOM 918 C VAL A 335 -0.192 -2.085 -4.532 1.00 0.00 C ATOM 919 O VAL A 335 -1.130 -2.744 -4.129 1.00 0.00 O ATOM 920 CB VAL A 335 0.389 0.135 -3.434 1.00 0.00 C ATOM 921 CG1 VAL A 335 -1.124 0.347 -3.518 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.885 0.647 -2.082 1.00 0.00 C ATOM 0 H VAL A 335 2.579 -0.464 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 335 0.634 -1.856 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 335 0.866 0.677 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.348 1.410 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.490 -0.020 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.613 -0.197 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.642 1.705 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.402 0.087 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 335 1.965 0.515 -2.017 1.00 0.00 H new ATOM 932 N LYS A 336 0.074 -1.999 -5.808 1.00 0.00 N ATOM 933 CA LYS A 336 -0.785 -2.720 -6.790 1.00 0.00 C ATOM 934 C LYS A 336 -0.514 -4.218 -6.668 1.00 0.00 C ATOM 935 O LYS A 336 -1.410 -5.003 -6.428 1.00 0.00 O ATOM 936 CB LYS A 336 -0.359 -2.197 -8.162 1.00 0.00 C ATOM 937 CG LYS A 336 -1.463 -2.477 -9.182 1.00 0.00 C ATOM 938 CD LYS A 336 -2.188 -1.173 -9.521 1.00 0.00 C ATOM 939 CE LYS A 336 -2.884 -1.314 -10.877 1.00 0.00 C ATOM 940 NZ LYS A 336 -4.141 -0.526 -10.747 1.00 0.00 N ATOM 0 H LYS A 336 0.844 -1.464 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.851 -2.560 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.162 -1.126 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.569 -2.677 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -1.036 -2.913 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -2.169 -3.204 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -2.919 -0.939 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -1.478 -0.346 -9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -2.259 -0.930 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -3.095 -2.359 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -4.675 -0.574 -11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -4.718 -0.918 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -3.909 0.465 -10.536 1.00 0.00 H new ATOM 954 N HIS A 337 0.723 -4.621 -6.797 1.00 0.00 N ATOM 955 CA HIS A 337 1.042 -6.067 -6.647 1.00 0.00 C ATOM 956 C HIS A 337 0.584 -6.508 -5.259 1.00 0.00 C ATOM 957 O HIS A 337 0.120 -7.614 -5.059 1.00 0.00 O ATOM 958 CB HIS A 337 2.563 -6.162 -6.776 1.00 0.00 C ATOM 959 CG HIS A 337 2.919 -6.794 -8.094 1.00 0.00 C ATOM 960 ND1 HIS A 337 3.433 -8.078 -8.185 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.842 -6.329 -9.385 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.643 -8.340 -9.489 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.300 -7.307 -10.263 1.00 0.00 N ATOM 0 H HIS A 337 1.519 -4.015 -6.998 1.00 0.00 H new ATOM 0 HA HIS A 337 0.552 -6.701 -7.386 1.00 0.00 H new ATOM 0 HB2 HIS A 337 3.007 -5.169 -6.706 1.00 0.00 H new ATOM 0 HB3 HIS A 337 2.972 -6.752 -5.956 1.00 0.00 H new ATOM 0 HD2 HIS A 337 2.481 -5.353 -9.674 1.00 0.00 H new ATOM 0 HE1 HIS A 337 4.040 -9.272 -9.863 1.00 0.00 H new ATOM 0 HE2 HIS A 337 3.361 -7.248 -11.279 1.00 0.00 H new ATOM 971 N PHE A 338 0.689 -5.623 -4.303 1.00 0.00 N ATOM 972 CA PHE A 338 0.239 -5.944 -2.922 1.00 0.00 C ATOM 973 C PHE A 338 -1.288 -5.972 -2.894 1.00 0.00 C ATOM 974 O PHE A 338 -1.902 -6.799 -2.250 1.00 0.00 O ATOM 975 CB PHE A 338 0.761 -4.794 -2.064 1.00 0.00 C ATOM 976 CG PHE A 338 0.061 -4.802 -0.729 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.059 -5.992 -0.004 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.466 -3.614 -0.218 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.706 -5.992 1.236 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.112 -3.611 1.023 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.233 -4.801 1.751 1.00 0.00 C ATOM 0 H PHE A 338 1.071 -4.685 -4.424 1.00 0.00 H new ATOM 0 HA PHE A 338 0.600 -6.910 -2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.837 -4.892 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.591 -3.843 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.348 -6.910 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.375 -2.697 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.799 -6.911 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.517 -2.692 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.732 -4.800 2.709 1.00 0.00 H new ATOM 991 N GLN A 339 -1.897 -5.060 -3.601 1.00 0.00 N ATOM 992 CA GLN A 339 -3.383 -5.001 -3.646 1.00 0.00 C ATOM 993 C GLN A 339 -3.949 -6.320 -4.170 1.00 0.00 C ATOM 994 O GLN A 339 -5.030 -6.734 -3.800 1.00 0.00 O ATOM 995 CB GLN A 339 -3.690 -3.866 -4.620 1.00 0.00 C ATOM 996 CG GLN A 339 -4.167 -2.639 -3.842 1.00 0.00 C ATOM 997 CD GLN A 339 -5.690 -2.679 -3.710 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.378 -3.114 -4.612 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.251 -2.243 -2.615 1.00 0.00 N ATOM 0 H GLN A 339 -1.422 -4.347 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.825 -4.836 -2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.800 -3.619 -5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.455 -4.179 -5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -3.706 -2.620 -2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.860 -1.728 -4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -5.674 -1.878 -1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.266 -2.268 -2.517 1.00 0.00 H new