USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 287 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 293 SER OG : rot 180:sc=-0.00123 USER MOD Single : A 294 GLN : amide:sc=-0.00622 X(o=-0.0062,f=-0.0062) USER MOD Single : A 306 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.052) USER MOD Single : A 307 TYR OH : rot 180:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot 99:sc= 1.05 USER MOD Single : A 323 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 GLN : amide:sc= -2.86! C(o=-2.9!,f=-8.1!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= -0.281 K(o=-0.28,f=-1.3) USER MOD Single : A 339 GLN : amide:sc= -0.287 K(o=-0.29,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.670 2.054 -0.919 1.00 0.00 N ATOM 134 CA PRO A 287 10.027 0.854 -0.333 1.00 0.00 C ATOM 135 C PRO A 287 10.381 -0.396 -1.143 1.00 0.00 C ATOM 136 O PRO A 287 10.554 -0.340 -2.345 1.00 0.00 O ATOM 137 CB PRO A 287 8.536 1.160 -0.443 1.00 0.00 C ATOM 138 CG PRO A 287 8.417 2.132 -1.576 1.00 0.00 C ATOM 139 CD PRO A 287 9.723 2.884 -1.667 1.00 0.00 C ATOM 0 HA PRO A 287 10.347 0.655 0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 287 7.962 0.255 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.152 1.587 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.210 1.609 -2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.589 2.820 -1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.037 3.012 -2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.639 3.881 -1.234 1.00 0.00 H new ATOM 147 N GLU A 288 10.481 -1.524 -0.497 1.00 0.00 N ATOM 148 CA GLU A 288 10.815 -2.777 -1.231 1.00 0.00 C ATOM 149 C GLU A 288 9.528 -3.463 -1.697 1.00 0.00 C ATOM 150 O GLU A 288 9.433 -3.933 -2.814 1.00 0.00 O ATOM 151 CB GLU A 288 11.552 -3.648 -0.213 1.00 0.00 C ATOM 152 CG GLU A 288 12.598 -4.505 -0.930 1.00 0.00 C ATOM 153 CD GLU A 288 11.934 -5.279 -2.070 1.00 0.00 C ATOM 154 OE1 GLU A 288 11.701 -4.682 -3.108 1.00 0.00 O ATOM 155 OE2 GLU A 288 11.669 -6.456 -1.885 1.00 0.00 O ATOM 0 H GLU A 288 10.346 -1.633 0.508 1.00 0.00 H new ATOM 0 HA GLU A 288 11.421 -2.593 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.034 -3.020 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.844 -4.287 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 288 13.394 -3.872 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.059 -5.198 -0.226 1.00 0.00 H new ATOM 162 N ARG A 289 8.539 -3.517 -0.849 1.00 0.00 N ATOM 163 CA ARG A 289 7.253 -4.168 -1.232 1.00 0.00 C ATOM 164 C ARG A 289 6.251 -4.067 -0.078 1.00 0.00 C ATOM 165 O ARG A 289 6.611 -3.750 1.041 1.00 0.00 O ATOM 166 CB ARG A 289 7.616 -5.631 -1.506 1.00 0.00 C ATOM 167 CG ARG A 289 7.819 -6.369 -0.179 1.00 0.00 C ATOM 168 CD ARG A 289 8.974 -7.363 -0.316 1.00 0.00 C ATOM 169 NE ARG A 289 8.330 -8.647 -0.710 1.00 0.00 N ATOM 170 CZ ARG A 289 9.060 -9.713 -0.896 1.00 0.00 C ATOM 171 NH1 ARG A 289 9.926 -10.076 0.009 1.00 0.00 N ATOM 172 NH2 ARG A 289 8.923 -10.414 -1.988 1.00 0.00 N ATOM 0 H ARG A 289 8.565 -3.137 0.097 1.00 0.00 H new ATOM 0 HA ARG A 289 6.789 -3.696 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.825 -6.110 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.525 -5.684 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.033 -5.655 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 289 6.905 -6.894 0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.691 -7.034 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.520 -7.466 0.622 1.00 0.00 H new ATOM 0 HE ARG A 289 7.319 -8.693 -0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 289 10.033 -9.527 0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 289 10.497 -10.909 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 289 8.246 -10.129 -2.696 1.00 0.00 H new ATOM 0 HH22 ARG A 289 9.493 -11.247 -2.134 1.00 0.00 H new ATOM 186 N ILE A 290 4.999 -4.339 -0.331 1.00 0.00 N ATOM 187 CA ILE A 290 3.992 -4.263 0.766 1.00 0.00 C ATOM 188 C ILE A 290 3.932 -5.598 1.511 1.00 0.00 C ATOM 189 O ILE A 290 4.175 -6.647 0.947 1.00 0.00 O ATOM 190 CB ILE A 290 2.647 -3.987 0.090 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.809 -2.930 -1.003 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.656 -3.477 1.136 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.300 -1.626 -0.381 1.00 0.00 C ATOM 0 H ILE A 290 4.632 -4.609 -1.244 1.00 0.00 H new ATOM 0 HA ILE A 290 4.246 -3.486 1.488 1.00 0.00 H new ATOM 0 HB ILE A 290 2.279 -4.910 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.517 -3.276 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.858 -2.768 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.695 -3.278 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.527 -4.230 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.037 -2.558 1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.416 -0.872 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.575 -1.279 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.260 -1.794 0.106 1.00 0.00 H new ATOM 205 N ILE A 291 3.602 -5.569 2.770 1.00 0.00 N ATOM 206 CA ILE A 291 3.516 -6.840 3.549 1.00 0.00 C ATOM 207 C ILE A 291 2.108 -6.994 4.121 1.00 0.00 C ATOM 208 O ILE A 291 1.584 -8.084 4.232 1.00 0.00 O ATOM 209 CB ILE A 291 4.549 -6.739 4.687 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.099 -5.310 4.816 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.705 -7.693 4.396 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.294 -5.310 5.771 1.00 0.00 C ATOM 0 H ILE A 291 3.388 -4.722 3.296 1.00 0.00 H new ATOM 0 HA ILE A 291 3.721 -7.707 2.921 1.00 0.00 H new ATOM 0 HB ILE A 291 4.057 -7.004 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 291 5.401 -4.935 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 291 4.322 -4.642 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.441 -7.628 5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.327 -8.714 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.173 -7.420 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.686 -4.297 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 291 5.977 -5.668 6.751 1.00 0.00 H new ATOM 0 HD13 ILE A 291 7.072 -5.965 5.380 1.00 0.00 H new ATOM 224 N ASP A 292 1.493 -5.904 4.481 1.00 0.00 N ATOM 225 CA ASP A 292 0.115 -5.973 5.043 1.00 0.00 C ATOM 226 C ASP A 292 -0.567 -4.607 4.916 1.00 0.00 C ATOM 227 O ASP A 292 0.060 -3.621 4.584 1.00 0.00 O ATOM 228 CB ASP A 292 0.305 -6.348 6.513 1.00 0.00 C ATOM 229 CG ASP A 292 -1.012 -6.880 7.081 1.00 0.00 C ATOM 230 OD1 ASP A 292 -2.037 -6.653 6.459 1.00 0.00 O ATOM 231 OD2 ASP A 292 -0.974 -7.505 8.128 1.00 0.00 O ATOM 0 H ASP A 292 1.885 -4.965 4.410 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.514 -6.694 4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.085 -7.103 6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.633 -5.478 7.081 1.00 0.00 H new ATOM 236 N SER A 293 -1.843 -4.537 5.181 1.00 0.00 N ATOM 237 CA SER A 293 -2.550 -3.228 5.078 1.00 0.00 C ATOM 238 C SER A 293 -3.285 -2.922 6.386 1.00 0.00 C ATOM 239 O SER A 293 -3.660 -3.815 7.120 1.00 0.00 O ATOM 240 CB SER A 293 -3.538 -3.395 3.926 1.00 0.00 C ATOM 241 OG SER A 293 -3.863 -4.773 3.780 1.00 0.00 O ATOM 0 H SER A 293 -2.425 -5.326 5.463 1.00 0.00 H new ATOM 0 HA SER A 293 -1.863 -2.400 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.441 -2.815 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 293 -3.105 -3.012 3.002 1.00 0.00 H new ATOM 0 HG SER A 293 -4.498 -4.883 3.042 1.00 0.00 H new ATOM 247 N GLN A 294 -3.488 -1.667 6.687 1.00 0.00 N ATOM 248 CA GLN A 294 -4.190 -1.312 7.954 1.00 0.00 C ATOM 249 C GLN A 294 -5.162 -0.150 7.730 1.00 0.00 C ATOM 250 O GLN A 294 -4.776 1.003 7.720 1.00 0.00 O ATOM 251 CB GLN A 294 -3.076 -0.896 8.914 1.00 0.00 C ATOM 252 CG GLN A 294 -3.638 -0.776 10.331 1.00 0.00 C ATOM 253 CD GLN A 294 -3.747 -2.168 10.956 1.00 0.00 C ATOM 254 OE1 GLN A 294 -4.833 -2.684 11.132 1.00 0.00 O ATOM 255 NE2 GLN A 294 -2.660 -2.804 11.297 1.00 0.00 N ATOM 0 H GLN A 294 -3.199 -0.875 6.113 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.782 -2.142 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.271 -1.630 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.648 0.056 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -2.991 -0.143 10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.618 -0.299 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -1.748 -2.371 11.149 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -2.722 -3.734 11.711 1.00 0.00 H new ATOM 404 N LEU A 305 -6.180 5.011 5.968 1.00 0.00 N ATOM 405 CA LEU A 305 -5.673 3.702 5.466 1.00 0.00 C ATOM 406 C LEU A 305 -4.145 3.728 5.389 1.00 0.00 C ATOM 407 O LEU A 305 -3.551 4.722 5.017 1.00 0.00 O ATOM 408 CB LEU A 305 -6.281 3.551 4.070 1.00 0.00 C ATOM 409 CG LEU A 305 -5.507 2.491 3.289 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.483 1.185 4.084 1.00 0.00 C ATOM 411 CD2 LEU A 305 -6.188 2.257 1.939 1.00 0.00 C ATOM 0 HA LEU A 305 -5.945 2.872 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.330 3.267 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -6.247 4.504 3.542 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.485 2.833 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -4.930 0.429 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -4.998 1.353 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.504 0.840 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.637 1.501 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -7.210 1.915 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -6.202 3.188 1.373 1.00 0.00 H new ATOM 423 N GLN A 306 -3.501 2.648 5.736 1.00 0.00 N ATOM 424 CA GLN A 306 -2.013 2.623 5.681 1.00 0.00 C ATOM 425 C GLN A 306 -1.509 1.245 5.236 1.00 0.00 C ATOM 426 O GLN A 306 -2.014 0.224 5.657 1.00 0.00 O ATOM 427 CB GLN A 306 -1.559 2.917 7.113 1.00 0.00 C ATOM 428 CG GLN A 306 -1.815 4.389 7.443 1.00 0.00 C ATOM 429 CD GLN A 306 -2.015 4.550 8.952 1.00 0.00 C ATOM 430 OE1 GLN A 306 -1.364 5.362 9.580 1.00 0.00 O ATOM 431 NE2 GLN A 306 -2.896 3.807 9.565 1.00 0.00 N ATOM 0 H GLN A 306 -3.940 1.784 6.054 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.621 3.346 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.097 2.278 7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.499 2.689 7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -0.975 4.998 7.110 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.697 4.744 6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -3.443 3.125 9.039 1.00 0.00 H new ATOM 0 HE22 GLN A 306 -3.038 3.908 10.570 1.00 0.00 H new ATOM 440 N TYR A 307 -0.509 1.213 4.392 1.00 0.00 N ATOM 441 CA TYR A 307 0.043 -0.093 3.922 1.00 0.00 C ATOM 442 C TYR A 307 1.373 -0.386 4.625 1.00 0.00 C ATOM 443 O TYR A 307 2.219 0.478 4.752 1.00 0.00 O ATOM 444 CB TYR A 307 0.287 0.094 2.423 1.00 0.00 C ATOM 445 CG TYR A 307 -0.932 -0.309 1.622 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.164 -0.527 2.252 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.822 -0.460 0.235 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.281 -0.896 1.494 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.939 -0.828 -0.523 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.169 -1.046 0.107 1.00 0.00 C ATOM 451 OH TYR A 307 -4.271 -1.410 -0.638 1.00 0.00 O ATOM 0 H TYR A 307 -0.050 2.038 4.007 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.633 -0.921 4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.533 1.136 2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.144 -0.503 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.252 -0.410 3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.127 -0.292 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.231 -1.065 1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.852 -0.944 -1.593 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.021 -1.469 -1.584 1.00 0.00 H new ATOM 461 N LEU A 308 1.577 -1.598 5.067 1.00 0.00 N ATOM 462 CA LEU A 308 2.866 -1.935 5.739 1.00 0.00 C ATOM 463 C LEU A 308 3.936 -2.195 4.675 1.00 0.00 C ATOM 464 O LEU A 308 3.791 -3.067 3.842 1.00 0.00 O ATOM 465 CB LEU A 308 2.583 -3.204 6.543 1.00 0.00 C ATOM 466 CG LEU A 308 3.800 -3.547 7.402 1.00 0.00 C ATOM 467 CD1 LEU A 308 3.853 -2.608 8.608 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.690 -4.994 7.890 1.00 0.00 C ATOM 0 H LEU A 308 0.910 -2.366 4.993 1.00 0.00 H new ATOM 0 HA LEU A 308 3.229 -1.132 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.708 -3.058 7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.356 -4.030 5.870 1.00 0.00 H new ATOM 0 HG LEU A 308 4.707 -3.431 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.721 -2.852 9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 308 3.931 -1.577 8.263 1.00 0.00 H new ATOM 0 HD13 LEU A 308 2.946 -2.725 9.200 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.558 -5.238 8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 308 2.783 -5.110 8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.651 -5.665 7.032 1.00 0.00 H new ATOM 480 N VAL A 309 4.999 -1.438 4.681 1.00 0.00 N ATOM 481 CA VAL A 309 6.055 -1.646 3.647 1.00 0.00 C ATOM 482 C VAL A 309 7.415 -1.928 4.291 1.00 0.00 C ATOM 483 O VAL A 309 7.689 -1.514 5.400 1.00 0.00 O ATOM 484 CB VAL A 309 6.106 -0.332 2.867 1.00 0.00 C ATOM 485 CG1 VAL A 309 6.873 -0.545 1.560 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.683 0.135 2.552 1.00 0.00 C ATOM 0 H VAL A 309 5.182 -0.691 5.350 1.00 0.00 H new ATOM 0 HA VAL A 309 5.830 -2.503 3.012 1.00 0.00 H new ATOM 0 HB VAL A 309 6.610 0.425 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.910 0.391 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.888 -0.875 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.368 -1.303 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.722 1.072 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.176 -0.622 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.136 0.288 3.482 1.00 0.00 H new ATOM 496 N LYS A 310 8.272 -2.623 3.592 1.00 0.00 N ATOM 497 CA LYS A 310 9.623 -2.926 4.147 1.00 0.00 C ATOM 498 C LYS A 310 10.685 -2.123 3.392 1.00 0.00 C ATOM 499 O LYS A 310 11.181 -2.541 2.365 1.00 0.00 O ATOM 500 CB LYS A 310 9.819 -4.426 3.923 1.00 0.00 C ATOM 501 CG LYS A 310 11.245 -4.818 4.312 1.00 0.00 C ATOM 502 CD LYS A 310 11.560 -6.210 3.761 1.00 0.00 C ATOM 503 CE LYS A 310 10.750 -7.259 4.528 1.00 0.00 C ATOM 504 NZ LYS A 310 11.760 -8.229 5.034 1.00 0.00 N ATOM 0 H LYS A 310 8.094 -2.995 2.659 1.00 0.00 H new ATOM 0 HA LYS A 310 9.710 -2.662 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 310 9.100 -4.990 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 310 9.634 -4.676 2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.954 -4.090 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.352 -4.812 5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 310 11.320 -6.255 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 310 12.626 -6.418 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 310 10.192 -6.806 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 310 10.023 -7.748 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 11.281 -8.980 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 12.270 -8.649 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 12.435 -7.736 5.653 1.00 0.00 H new ATOM 681 N THR A 320 7.764 -0.765 8.329 1.00 0.00 N ATOM 682 CA THR A 320 6.802 -0.099 9.254 1.00 0.00 C ATOM 683 C THR A 320 5.456 0.119 8.558 1.00 0.00 C ATOM 684 O THR A 320 5.132 -0.537 7.588 1.00 0.00 O ATOM 685 CB THR A 320 7.452 1.240 9.602 1.00 0.00 C ATOM 686 OG1 THR A 320 7.883 1.881 8.409 1.00 0.00 O ATOM 687 CG2 THR A 320 8.651 1.002 10.520 1.00 0.00 C ATOM 0 HA THR A 320 6.602 -0.698 10.142 1.00 0.00 H new ATOM 0 HB THR A 320 6.728 1.875 10.112 1.00 0.00 H new ATOM 0 HG1 THR A 320 7.220 2.550 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.114 1.957 10.768 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.317 0.512 11.435 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.377 0.367 10.013 1.00 0.00 H new ATOM 695 N TRP A 321 4.667 1.033 9.052 1.00 0.00 N ATOM 696 CA TRP A 321 3.341 1.293 8.428 1.00 0.00 C ATOM 697 C TRP A 321 3.315 2.675 7.771 1.00 0.00 C ATOM 698 O TRP A 321 3.858 3.632 8.287 1.00 0.00 O ATOM 699 CB TRP A 321 2.346 1.243 9.587 1.00 0.00 C ATOM 700 CG TRP A 321 1.843 -0.154 9.760 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.099 -0.944 10.827 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.006 -0.937 8.861 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.465 -2.161 10.644 1.00 0.00 N ATOM 704 CE2 TRP A 321 0.780 -2.205 9.446 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.424 -0.672 7.608 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.004 -3.175 8.810 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.357 -1.647 6.966 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.567 -2.895 7.567 1.00 0.00 C ATOM 0 H TRP A 321 4.885 1.612 9.863 1.00 0.00 H new ATOM 0 HA TRP A 321 3.109 0.568 7.648 1.00 0.00 H new ATOM 0 HB2 TRP A 321 2.825 1.583 10.505 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.513 1.918 9.393 1.00 0.00 H new ATOM 0 HD1 TRP A 321 2.700 -0.670 11.682 1.00 0.00 H new ATOM 0 HE1 TRP A 321 1.500 -2.931 11.312 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.579 0.287 7.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 -0.154 -4.136 9.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.798 -1.433 6.004 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.170 -3.640 7.069 1.00 0.00 H new ATOM 719 N GLU A 322 2.674 2.784 6.642 1.00 0.00 N ATOM 720 CA GLU A 322 2.587 4.098 5.943 1.00 0.00 C ATOM 721 C GLU A 322 1.208 4.235 5.295 1.00 0.00 C ATOM 722 O GLU A 322 0.422 3.313 5.312 1.00 0.00 O ATOM 723 CB GLU A 322 3.683 4.060 4.879 1.00 0.00 C ATOM 724 CG GLU A 322 4.981 4.623 5.462 1.00 0.00 C ATOM 725 CD GLU A 322 5.711 3.527 6.242 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.407 2.366 6.018 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.560 3.867 7.049 1.00 0.00 O ATOM 0 H GLU A 322 2.202 2.013 6.169 1.00 0.00 H new ATOM 0 HA GLU A 322 2.717 4.944 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 322 3.839 3.036 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.380 4.642 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.618 4.999 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 322 4.762 5.466 6.118 1.00 0.00 H new ATOM 734 N ASN A 323 0.902 5.367 4.721 1.00 0.00 N ATOM 735 CA ASN A 323 -0.431 5.526 4.080 1.00 0.00 C ATOM 736 C ASN A 323 -0.482 4.709 2.790 1.00 0.00 C ATOM 737 O ASN A 323 0.447 4.711 2.007 1.00 0.00 O ATOM 738 CB ASN A 323 -0.554 7.020 3.775 1.00 0.00 C ATOM 739 CG ASN A 323 -1.184 7.736 4.971 1.00 0.00 C ATOM 740 OD1 ASN A 323 -2.333 8.129 4.922 1.00 0.00 O ATOM 741 ND2 ASN A 323 -0.475 7.925 6.051 1.00 0.00 N ATOM 0 H ASN A 323 1.513 6.182 4.669 1.00 0.00 H new ATOM 0 HA ASN A 323 -1.244 5.178 4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.429 7.441 3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.164 7.171 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -0.885 8.402 6.853 1.00 0.00 H new ATOM 0 HD22 ASN A 323 0.489 7.595 6.092 1.00 0.00 H new ATOM 748 N ALA A 324 -1.562 4.021 2.554 1.00 0.00 N ATOM 749 CA ALA A 324 -1.663 3.221 1.304 1.00 0.00 C ATOM 750 C ALA A 324 -1.707 4.174 0.117 1.00 0.00 C ATOM 751 O ALA A 324 -1.439 3.808 -1.009 1.00 0.00 O ATOM 752 CB ALA A 324 -2.974 2.447 1.426 1.00 0.00 C ATOM 0 H ALA A 324 -2.375 3.978 3.169 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.820 2.545 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -3.118 1.832 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.938 1.808 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.803 3.148 1.520 1.00 0.00 H new ATOM 758 N THR A 325 -2.030 5.407 0.375 1.00 0.00 N ATOM 759 CA THR A 325 -2.088 6.411 -0.720 1.00 0.00 C ATOM 760 C THR A 325 -0.669 6.875 -1.046 1.00 0.00 C ATOM 761 O THR A 325 -0.289 7.005 -2.192 1.00 0.00 O ATOM 762 CB THR A 325 -2.937 7.547 -0.145 1.00 0.00 C ATOM 763 OG1 THR A 325 -4.308 7.289 -0.411 1.00 0.00 O ATOM 764 CG2 THR A 325 -2.537 8.881 -0.774 1.00 0.00 C ATOM 0 H THR A 325 -2.258 5.765 1.302 1.00 0.00 H new ATOM 0 HA THR A 325 -2.514 6.029 -1.648 1.00 0.00 H new ATOM 0 HB THR A 325 -2.773 7.603 0.931 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.855 8.014 -0.042 1.00 0.00 H new ATOM 0 HG21 THR A 325 -3.150 9.679 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 325 -1.486 9.082 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.689 8.835 -1.852 1.00 0.00 H new ATOM 772 N ASP A 326 0.121 7.109 -0.038 1.00 0.00 N ATOM 773 CA ASP A 326 1.521 7.544 -0.281 1.00 0.00 C ATOM 774 C ASP A 326 2.284 6.411 -0.960 1.00 0.00 C ATOM 775 O ASP A 326 2.890 6.590 -1.995 1.00 0.00 O ATOM 776 CB ASP A 326 2.097 7.830 1.106 1.00 0.00 C ATOM 777 CG ASP A 326 1.951 9.318 1.424 1.00 0.00 C ATOM 778 OD1 ASP A 326 2.687 10.103 0.850 1.00 0.00 O ATOM 779 OD2 ASP A 326 1.105 9.649 2.239 1.00 0.00 O ATOM 0 H ASP A 326 -0.143 7.018 0.943 1.00 0.00 H new ATOM 0 HA ASP A 326 1.588 8.420 -0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 326 1.577 7.235 1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.148 7.541 1.141 1.00 0.00 H new ATOM 784 N ILE A 327 2.242 5.236 -0.393 1.00 0.00 N ATOM 785 CA ILE A 327 2.951 4.091 -1.023 1.00 0.00 C ATOM 786 C ILE A 327 2.408 3.880 -2.436 1.00 0.00 C ATOM 787 O ILE A 327 3.122 3.476 -3.329 1.00 0.00 O ATOM 788 CB ILE A 327 2.655 2.887 -0.127 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.402 3.053 1.197 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.126 1.601 -0.812 1.00 0.00 C ATOM 791 CD1 ILE A 327 4.876 3.346 0.912 1.00 0.00 C ATOM 0 H ILE A 327 1.750 5.022 0.474 1.00 0.00 H new ATOM 0 HA ILE A 327 4.025 4.253 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 327 1.582 2.826 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 327 2.963 3.866 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.309 2.148 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 327 2.913 0.747 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.602 1.481 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.199 1.658 -0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.412 3.465 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.309 2.519 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 327 4.959 4.263 0.329 1.00 0.00 H new ATOM 803 N VAL A 328 1.154 4.173 -2.660 1.00 0.00 N ATOM 804 CA VAL A 328 0.605 4.011 -4.034 1.00 0.00 C ATOM 805 C VAL A 328 1.442 4.873 -4.981 1.00 0.00 C ATOM 806 O VAL A 328 1.940 4.412 -5.988 1.00 0.00 O ATOM 807 CB VAL A 328 -0.842 4.515 -3.953 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.287 5.079 -5.307 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.761 3.357 -3.568 1.00 0.00 C ATOM 0 H VAL A 328 0.495 4.513 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 328 0.633 2.985 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.898 5.303 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.315 5.433 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.637 5.908 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.225 4.298 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.790 3.713 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.691 2.571 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.459 2.960 -2.599 1.00 0.00 H new ATOM 819 N LYS A 329 1.618 6.121 -4.644 1.00 0.00 N ATOM 820 CA LYS A 329 2.443 7.021 -5.503 1.00 0.00 C ATOM 821 C LYS A 329 3.925 6.737 -5.254 1.00 0.00 C ATOM 822 O LYS A 329 4.699 6.562 -6.175 1.00 0.00 O ATOM 823 CB LYS A 329 2.083 8.440 -5.063 1.00 0.00 C ATOM 824 CG LYS A 329 3.134 9.419 -5.590 1.00 0.00 C ATOM 825 CD LYS A 329 4.122 9.759 -4.472 1.00 0.00 C ATOM 826 CE LYS A 329 3.736 11.096 -3.834 1.00 0.00 C ATOM 827 NZ LYS A 329 4.906 11.985 -4.071 1.00 0.00 N ATOM 0 H LYS A 329 1.226 6.558 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 329 2.255 6.876 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 329 1.097 8.710 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 329 2.033 8.494 -3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 329 3.663 8.980 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 329 2.651 10.327 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 329 4.120 8.971 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 329 5.134 9.814 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 329 2.832 11.503 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 329 3.536 10.982 -2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 4.718 12.923 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 5.750 11.575 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 5.068 12.080 -5.094 1.00 0.00 H new ATOM 841 N LEU A 330 4.323 6.671 -4.011 1.00 0.00 N ATOM 842 CA LEU A 330 5.748 6.375 -3.698 1.00 0.00 C ATOM 843 C LEU A 330 6.135 5.057 -4.365 1.00 0.00 C ATOM 844 O LEU A 330 7.140 4.949 -5.037 1.00 0.00 O ATOM 845 CB LEU A 330 5.789 6.230 -2.177 1.00 0.00 C ATOM 846 CG LEU A 330 7.106 6.790 -1.640 1.00 0.00 C ATOM 847 CD1 LEU A 330 6.976 8.302 -1.447 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.426 6.131 -0.296 1.00 0.00 C ATOM 0 H LEU A 330 3.721 6.810 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 330 6.434 7.145 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 330 4.948 6.760 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 330 5.689 5.181 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 330 7.907 6.582 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 330 7.915 8.702 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.744 8.772 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.176 8.511 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.365 6.528 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 330 6.625 6.341 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 330 7.517 5.053 -0.432 1.00 0.00 H new ATOM 860 N ALA A 331 5.318 4.061 -4.184 1.00 0.00 N ATOM 861 CA ALA A 331 5.583 2.735 -4.798 1.00 0.00 C ATOM 862 C ALA A 331 4.263 2.142 -5.303 1.00 0.00 C ATOM 863 O ALA A 331 3.674 1.300 -4.654 1.00 0.00 O ATOM 864 CB ALA A 331 6.163 1.881 -3.671 1.00 0.00 C ATOM 0 H ALA A 331 4.465 4.111 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 331 6.265 2.790 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.385 0.883 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.079 2.341 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.439 1.809 -2.859 1.00 0.00 H new ATOM 870 N PRO A 332 3.838 2.614 -6.445 1.00 0.00 N ATOM 871 CA PRO A 332 2.564 2.137 -7.042 1.00 0.00 C ATOM 872 C PRO A 332 2.702 0.679 -7.490 1.00 0.00 C ATOM 873 O PRO A 332 1.906 -0.167 -7.136 1.00 0.00 O ATOM 874 CB PRO A 332 2.363 3.061 -8.246 1.00 0.00 C ATOM 875 CG PRO A 332 3.735 3.546 -8.584 1.00 0.00 C ATOM 876 CD PRO A 332 4.495 3.620 -7.286 1.00 0.00 C ATOM 0 HA PRO A 332 1.725 2.165 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.914 2.528 -9.084 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.699 3.890 -8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.225 2.867 -9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.693 4.523 -9.065 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.552 3.396 -7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.436 4.614 -6.843 1.00 0.00 H new ATOM 884 N GLU A 333 3.710 0.382 -8.265 1.00 0.00 N ATOM 885 CA GLU A 333 3.901 -1.021 -8.734 1.00 0.00 C ATOM 886 C GLU A 333 3.802 -1.990 -7.552 1.00 0.00 C ATOM 887 O GLU A 333 3.205 -3.043 -7.650 1.00 0.00 O ATOM 888 CB GLU A 333 5.304 -1.051 -9.344 1.00 0.00 C ATOM 889 CG GLU A 333 6.355 -1.050 -8.231 1.00 0.00 C ATOM 890 CD GLU A 333 7.754 -1.087 -8.850 1.00 0.00 C ATOM 891 OE1 GLU A 333 8.113 -0.127 -9.513 1.00 0.00 O ATOM 892 OE2 GLU A 333 8.441 -2.075 -8.653 1.00 0.00 O ATOM 0 H GLU A 333 4.409 1.049 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 333 3.142 -1.323 -9.455 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.421 -1.938 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.447 -0.186 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 333 6.243 -0.160 -7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 333 6.211 -1.912 -7.580 1.00 0.00 H new ATOM 899 N GLN A 334 4.380 -1.640 -6.435 1.00 0.00 N ATOM 900 CA GLN A 334 4.312 -2.544 -5.252 1.00 0.00 C ATOM 901 C GLN A 334 2.889 -2.565 -4.695 1.00 0.00 C ATOM 902 O GLN A 334 2.315 -3.612 -4.477 1.00 0.00 O ATOM 903 CB GLN A 334 5.283 -1.947 -4.234 1.00 0.00 C ATOM 904 CG GLN A 334 6.694 -2.467 -4.511 1.00 0.00 C ATOM 905 CD GLN A 334 7.720 -1.432 -4.048 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.426 -0.601 -3.212 1.00 0.00 O ATOM 907 NE2 GLN A 334 8.920 -1.446 -4.561 1.00 0.00 N ATOM 0 H GLN A 334 4.894 -0.771 -6.291 1.00 0.00 H new ATOM 0 HA GLN A 334 4.574 -3.573 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.266 -0.859 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 334 4.977 -2.215 -3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 334 6.854 -3.411 -3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.817 -2.666 -5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 334 9.166 -2.144 -5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 334 9.611 -0.759 -4.260 1.00 0.00 H new ATOM 916 N VAL A 335 2.309 -1.418 -4.474 1.00 0.00 N ATOM 917 CA VAL A 335 0.919 -1.386 -3.943 1.00 0.00 C ATOM 918 C VAL A 335 -0.009 -2.144 -4.897 1.00 0.00 C ATOM 919 O VAL A 335 -0.820 -2.940 -4.475 1.00 0.00 O ATOM 920 CB VAL A 335 0.566 0.103 -3.846 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.934 0.325 -4.066 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.940 0.598 -2.450 1.00 0.00 C ATOM 0 H VAL A 335 2.735 -0.506 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 335 0.815 -1.868 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 335 1.114 0.649 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.159 1.389 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.214 -0.037 -5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.497 -0.218 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.696 1.657 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.383 0.034 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.009 0.457 -2.288 1.00 0.00 H new ATOM 932 N LYS A 336 0.114 -1.927 -6.176 1.00 0.00 N ATOM 933 CA LYS A 336 -0.756 -2.670 -7.131 1.00 0.00 C ATOM 934 C LYS A 336 -0.462 -4.164 -6.993 1.00 0.00 C ATOM 935 O LYS A 336 -1.356 -4.970 -6.840 1.00 0.00 O ATOM 936 CB LYS A 336 -0.363 -2.158 -8.517 1.00 0.00 C ATOM 937 CG LYS A 336 -1.025 -3.023 -9.589 1.00 0.00 C ATOM 938 CD LYS A 336 -2.470 -2.568 -9.795 1.00 0.00 C ATOM 939 CE LYS A 336 -2.830 -2.663 -11.279 1.00 0.00 C ATOM 940 NZ LYS A 336 -3.738 -1.510 -11.533 1.00 0.00 N ATOM 0 H LYS A 336 0.773 -1.274 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.821 -2.522 -6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.671 -1.119 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.721 -2.184 -8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.472 -2.946 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.002 -4.071 -9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -3.145 -3.189 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.593 -1.543 -9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -1.939 -2.609 -11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -3.321 -3.609 -11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -4.027 -1.509 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -4.580 -1.592 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -3.241 -0.623 -11.316 1.00 0.00 H new ATOM 954 N HIS A 337 0.791 -4.534 -7.012 1.00 0.00 N ATOM 955 CA HIS A 337 1.136 -5.971 -6.842 1.00 0.00 C ATOM 956 C HIS A 337 0.655 -6.414 -5.461 1.00 0.00 C ATOM 957 O HIS A 337 0.186 -7.518 -5.271 1.00 0.00 O ATOM 958 CB HIS A 337 2.661 -6.033 -6.938 1.00 0.00 C ATOM 959 CG HIS A 337 3.104 -7.469 -7.002 1.00 0.00 C ATOM 960 ND1 HIS A 337 2.203 -8.521 -7.039 1.00 0.00 N ATOM 961 CD2 HIS A 337 4.352 -8.042 -7.036 1.00 0.00 C ATOM 962 CE1 HIS A 337 2.914 -9.662 -7.092 1.00 0.00 C ATOM 963 NE2 HIS A 337 4.229 -9.428 -7.093 1.00 0.00 N ATOM 0 H HIS A 337 1.585 -3.906 -7.137 1.00 0.00 H new ATOM 0 HA HIS A 337 0.675 -6.621 -7.586 1.00 0.00 H new ATOM 0 HB2 HIS A 337 3.002 -5.497 -7.824 1.00 0.00 H new ATOM 0 HB3 HIS A 337 3.110 -5.541 -6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 337 5.286 -7.500 -7.021 1.00 0.00 H new ATOM 0 HE1 HIS A 337 2.475 -10.648 -7.129 1.00 0.00 H new ATOM 0 HE2 HIS A 337 4.981 -10.116 -7.128 1.00 0.00 H new ATOM 971 N PHE A 338 0.745 -5.531 -4.502 1.00 0.00 N ATOM 972 CA PHE A 338 0.270 -5.854 -3.130 1.00 0.00 C ATOM 973 C PHE A 338 -1.255 -5.966 -3.154 1.00 0.00 C ATOM 974 O PHE A 338 -1.837 -6.891 -2.623 1.00 0.00 O ATOM 975 CB PHE A 338 0.707 -4.664 -2.278 1.00 0.00 C ATOM 976 CG PHE A 338 -0.013 -4.699 -0.953 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.044 -5.875 -0.197 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.652 -3.548 -0.484 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.717 -5.899 1.030 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.324 -3.569 0.742 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.359 -4.746 1.501 1.00 0.00 C ATOM 0 H PHE A 338 1.131 -4.593 -4.614 1.00 0.00 H new ATOM 0 HA PHE A 338 0.668 -6.792 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.785 -4.694 -2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.488 -3.731 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.451 -6.764 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.627 -2.641 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.741 -6.807 1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.816 -2.678 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.880 -4.765 2.447 1.00 0.00 H new ATOM 991 N GLN A 339 -1.895 -5.023 -3.789 1.00 0.00 N ATOM 992 CA GLN A 339 -3.379 -5.042 -3.890 1.00 0.00 C ATOM 993 C GLN A 339 -3.842 -6.365 -4.496 1.00 0.00 C ATOM 994 O GLN A 339 -4.816 -6.950 -4.068 1.00 0.00 O ATOM 995 CB GLN A 339 -3.710 -3.886 -4.829 1.00 0.00 C ATOM 996 CG GLN A 339 -4.381 -2.758 -4.044 1.00 0.00 C ATOM 997 CD GLN A 339 -5.678 -2.351 -4.747 1.00 0.00 C ATOM 998 OE1 GLN A 339 -5.829 -2.558 -5.934 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.627 -1.778 -4.059 1.00 0.00 N ATOM 0 H GLN A 339 -1.445 -4.231 -4.248 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.869 -4.944 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.800 -3.520 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.370 -4.230 -5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.593 -3.085 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.710 -1.902 -3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -6.500 -1.604 -3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.496 -1.504 -4.518 1.00 0.00 H new