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= -0.214 USER MOD Single : A 294 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 306 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.38) 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 -35:sc= 0.318 USER MOD Single : A 323 ASN : amide:sc= 0.607 K(o=0.61,f=-5!) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 GLN : amide:sc= -0.919 K(o=-0.92,f=-0.25) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-3.8!) USER MOD Single : A 339 GLN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.781 1.879 -0.330 1.00 0.00 N ATOM 134 CA PRO A 287 10.127 0.635 0.141 1.00 0.00 C ATOM 135 C PRO A 287 10.429 -0.521 -0.820 1.00 0.00 C ATOM 136 O PRO A 287 10.715 -0.312 -1.982 1.00 0.00 O ATOM 137 CB PRO A 287 8.642 0.982 0.118 1.00 0.00 C ATOM 138 CG PRO A 287 8.512 2.079 -0.893 1.00 0.00 C ATOM 139 CD PRO A 287 9.828 2.812 -0.936 1.00 0.00 C ATOM 0 HA PRO A 287 10.471 0.314 1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.040 0.117 -0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.298 1.308 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.268 1.670 -1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.704 2.758 -0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.111 3.062 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.780 3.749 -0.381 1.00 0.00 H new ATOM 147 N GLU A 288 10.368 -1.736 -0.347 1.00 0.00 N ATOM 148 CA GLU A 288 10.651 -2.897 -1.242 1.00 0.00 C ATOM 149 C GLU A 288 9.351 -3.629 -1.590 1.00 0.00 C ATOM 150 O GLU A 288 9.158 -4.075 -2.703 1.00 0.00 O ATOM 151 CB GLU A 288 11.581 -3.804 -0.435 1.00 0.00 C ATOM 152 CG GLU A 288 12.725 -4.285 -1.331 1.00 0.00 C ATOM 153 CD GLU A 288 12.201 -5.335 -2.312 1.00 0.00 C ATOM 154 OE1 GLU A 288 11.856 -6.417 -1.865 1.00 0.00 O ATOM 155 OE2 GLU A 288 12.153 -5.040 -3.494 1.00 0.00 O ATOM 0 H GLU A 288 10.135 -1.976 0.617 1.00 0.00 H new ATOM 0 HA GLU A 288 11.102 -2.590 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 288 11.979 -3.263 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 288 11.026 -4.657 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 288 13.152 -3.443 -1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.524 -4.708 -0.722 1.00 0.00 H new ATOM 162 N ARG A 289 8.459 -3.755 -0.648 1.00 0.00 N ATOM 163 CA ARG A 289 7.173 -4.458 -0.928 1.00 0.00 C ATOM 164 C ARG A 289 6.217 -4.292 0.255 1.00 0.00 C ATOM 165 O ARG A 289 6.627 -3.984 1.356 1.00 0.00 O ATOM 166 CB ARG A 289 7.558 -5.927 -1.103 1.00 0.00 C ATOM 167 CG ARG A 289 7.922 -6.523 0.257 1.00 0.00 C ATOM 168 CD ARG A 289 9.150 -7.425 0.111 1.00 0.00 C ATOM 169 NE ARG A 289 8.694 -8.556 -0.743 1.00 0.00 N ATOM 170 CZ ARG A 289 8.860 -8.503 -2.037 1.00 0.00 C ATOM 171 NH1 ARG A 289 10.007 -8.123 -2.532 1.00 0.00 N ATOM 172 NH2 ARG A 289 7.880 -8.828 -2.835 1.00 0.00 N ATOM 0 H ARG A 289 8.563 -3.402 0.303 1.00 0.00 H new ATOM 0 HA ARG A 289 6.665 -4.062 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.730 -6.481 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.401 -6.014 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.127 -5.726 0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.082 -7.096 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.980 -6.891 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.499 -7.778 1.081 1.00 0.00 H new ATOM 0 HE ARG A 289 8.252 -9.371 -0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 289 10.772 -7.868 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 289 10.138 -8.081 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 289 6.984 -9.124 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 289 8.010 -8.786 -3.846 1.00 0.00 H new ATOM 186 N ILE A 290 4.946 -4.498 0.042 1.00 0.00 N ATOM 187 CA ILE A 290 3.976 -4.353 1.165 1.00 0.00 C ATOM 188 C ILE A 290 3.878 -5.664 1.947 1.00 0.00 C ATOM 189 O ILE A 290 4.045 -6.739 1.404 1.00 0.00 O ATOM 190 CB ILE A 290 2.630 -4.035 0.515 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.804 -2.971 -0.573 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.671 -3.510 1.582 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.206 -1.647 0.070 1.00 0.00 C ATOM 0 H ILE A 290 4.539 -4.759 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 290 4.283 -3.573 1.862 1.00 0.00 H new ATOM 0 HB ILE A 290 2.229 -4.942 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.565 -3.287 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.875 -2.850 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.708 -3.281 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.535 -4.268 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.084 -2.606 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.330 -0.889 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.430 -1.330 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.146 -1.774 0.607 1.00 0.00 H new ATOM 205 N ILE A 291 3.593 -5.585 3.215 1.00 0.00 N ATOM 206 CA ILE A 291 3.465 -6.827 4.033 1.00 0.00 C ATOM 207 C ILE A 291 2.044 -6.927 4.579 1.00 0.00 C ATOM 208 O ILE A 291 1.480 -7.996 4.691 1.00 0.00 O ATOM 209 CB ILE A 291 4.472 -6.712 5.189 1.00 0.00 C ATOM 210 CG1 ILE A 291 4.982 -5.271 5.346 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.654 -7.634 4.907 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.166 -5.257 6.315 1.00 0.00 C ATOM 0 H ILE A 291 3.442 -4.714 3.724 1.00 0.00 H new ATOM 0 HA ILE A 291 3.667 -7.718 3.438 1.00 0.00 H new ATOM 0 HB ILE A 291 3.971 -6.998 6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 291 5.285 -4.873 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 291 4.184 -4.629 5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.375 -7.560 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.302 -8.662 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.131 -7.339 3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.531 -4.236 6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 291 5.847 -5.639 7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 291 6.965 -5.886 5.922 1.00 0.00 H new ATOM 224 N ASP A 292 1.463 -5.812 4.915 1.00 0.00 N ATOM 225 CA ASP A 292 0.077 -5.825 5.448 1.00 0.00 C ATOM 226 C ASP A 292 -0.559 -4.444 5.274 1.00 0.00 C ATOM 227 O ASP A 292 0.107 -3.482 4.948 1.00 0.00 O ATOM 228 CB ASP A 292 0.220 -6.169 6.930 1.00 0.00 C ATOM 229 CG ASP A 292 -1.165 -6.401 7.535 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.916 -7.178 6.967 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.453 -5.796 8.555 1.00 0.00 O ATOM 0 H ASP A 292 1.891 -4.889 4.843 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.561 -6.541 4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 292 0.835 -7.061 7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.727 -5.359 7.455 1.00 0.00 H new ATOM 236 N SER A 293 -1.839 -4.333 5.492 1.00 0.00 N ATOM 237 CA SER A 293 -2.503 -3.008 5.337 1.00 0.00 C ATOM 238 C SER A 293 -3.264 -2.647 6.613 1.00 0.00 C ATOM 239 O SER A 293 -3.563 -3.495 7.431 1.00 0.00 O ATOM 240 CB SER A 293 -3.467 -3.178 4.165 1.00 0.00 C ATOM 241 OG SER A 293 -3.803 -4.552 4.029 1.00 0.00 O ATOM 0 H SER A 293 -2.453 -5.099 5.770 1.00 0.00 H new ATOM 0 HA SER A 293 -1.786 -2.207 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.367 -2.586 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 293 -3.009 -2.811 3.246 1.00 0.00 H new ATOM 0 HG SER A 293 -4.423 -4.664 3.278 1.00 0.00 H new ATOM 247 N GLN A 294 -3.574 -1.394 6.792 1.00 0.00 N ATOM 248 CA GLN A 294 -4.309 -0.980 8.018 1.00 0.00 C ATOM 249 C GLN A 294 -5.262 0.177 7.705 1.00 0.00 C ATOM 250 O GLN A 294 -4.951 1.329 7.932 1.00 0.00 O ATOM 251 CB GLN A 294 -3.219 -0.533 8.994 1.00 0.00 C ATOM 252 CG GLN A 294 -3.815 -0.382 10.395 1.00 0.00 C ATOM 253 CD GLN A 294 -2.804 -0.871 11.436 1.00 0.00 C ATOM 254 OE1 GLN A 294 -2.594 -2.058 11.584 1.00 0.00 O ATOM 255 NE2 GLN A 294 -2.166 0.001 12.167 1.00 0.00 N ATOM 0 H GLN A 294 -3.350 -0.640 6.143 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.920 -1.785 8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.409 -1.262 9.009 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.790 0.414 8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -4.070 0.661 10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.739 -0.955 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -2.343 0.998 12.042 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -1.490 -0.314 12.863 1.00 0.00 H new ATOM 404 N LEU A 305 -5.925 5.309 5.853 1.00 0.00 N ATOM 405 CA LEU A 305 -5.430 4.094 5.142 1.00 0.00 C ATOM 406 C LEU A 305 -3.902 4.014 5.233 1.00 0.00 C ATOM 407 O LEU A 305 -3.201 4.935 4.863 1.00 0.00 O ATOM 408 CB LEU A 305 -5.872 4.285 3.690 1.00 0.00 C ATOM 409 CG LEU A 305 -5.414 3.091 2.854 1.00 0.00 C ATOM 410 CD1 LEU A 305 -6.211 1.852 3.259 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.648 3.385 1.370 1.00 0.00 C ATOM 0 HA LEU A 305 -5.821 3.172 5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -6.956 4.383 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.450 5.206 3.289 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.352 2.914 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.885 0.999 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -6.044 1.642 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -7.273 2.030 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.321 2.533 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.709 3.563 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.080 4.269 1.080 1.00 0.00 H new ATOM 423 N GLN A 306 -3.381 2.922 5.725 1.00 0.00 N ATOM 424 CA GLN A 306 -1.899 2.793 5.840 1.00 0.00 C ATOM 425 C GLN A 306 -1.438 1.411 5.364 1.00 0.00 C ATOM 426 O GLN A 306 -2.071 0.408 5.629 1.00 0.00 O ATOM 427 CB GLN A 306 -1.605 2.971 7.330 1.00 0.00 C ATOM 428 CG GLN A 306 -1.743 4.447 7.708 1.00 0.00 C ATOM 429 CD GLN A 306 -0.415 4.960 8.269 1.00 0.00 C ATOM 430 OE1 GLN A 306 0.107 5.955 7.808 1.00 0.00 O ATOM 431 NE2 GLN A 306 0.155 4.318 9.252 1.00 0.00 N ATOM 0 H GLN A 306 -3.915 2.116 6.051 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.375 3.525 5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.294 2.368 7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.598 2.620 7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -2.030 5.031 6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.534 4.571 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -0.284 3.482 9.638 1.00 0.00 H new ATOM 0 HE22 GLN A 306 1.040 4.652 9.634 1.00 0.00 H new ATOM 440 N TYR A 307 -0.335 1.354 4.666 1.00 0.00 N ATOM 441 CA TYR A 307 0.180 0.042 4.173 1.00 0.00 C ATOM 442 C TYR A 307 1.518 -0.283 4.845 1.00 0.00 C ATOM 443 O TYR A 307 2.438 0.510 4.826 1.00 0.00 O ATOM 444 CB TYR A 307 0.396 0.234 2.670 1.00 0.00 C ATOM 445 CG TYR A 307 -0.836 -0.178 1.898 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.065 -0.346 2.549 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.741 -0.392 0.517 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.196 -0.728 1.816 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.872 -0.773 -0.213 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.100 -0.942 0.436 1.00 0.00 C ATOM 451 OH TYR A 307 -4.215 -1.316 -0.282 1.00 0.00 O ATOM 0 H TYR A 307 0.234 2.162 4.415 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.509 -0.773 4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.630 1.278 2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.252 -0.356 2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.140 -0.181 3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.207 -0.263 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.144 -0.858 2.317 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.797 -0.937 -1.278 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.144 -0.975 -1.198 1.00 0.00 H new ATOM 461 N LEU A 308 1.643 -1.445 5.422 1.00 0.00 N ATOM 462 CA LEU A 308 2.934 -1.812 6.073 1.00 0.00 C ATOM 463 C LEU A 308 3.970 -2.130 4.996 1.00 0.00 C ATOM 464 O LEU A 308 3.781 -3.013 4.183 1.00 0.00 O ATOM 465 CB LEU A 308 2.621 -3.053 6.907 1.00 0.00 C ATOM 466 CG LEU A 308 3.806 -3.371 7.818 1.00 0.00 C ATOM 467 CD1 LEU A 308 3.803 -2.419 9.015 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.688 -4.812 8.317 1.00 0.00 C ATOM 0 H LEU A 308 0.912 -2.154 5.472 1.00 0.00 H new ATOM 0 HA LEU A 308 3.340 -1.010 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.725 -2.885 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.414 -3.900 6.253 1.00 0.00 H new ATOM 0 HG LEU A 308 4.735 -3.250 7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.649 -2.647 9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 308 3.883 -1.391 8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 308 2.875 -2.540 9.573 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.532 -5.042 8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 308 2.758 -4.929 8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.689 -5.493 7.466 1.00 0.00 H new ATOM 480 N VAL A 309 5.059 -1.412 4.969 1.00 0.00 N ATOM 481 CA VAL A 309 6.090 -1.677 3.925 1.00 0.00 C ATOM 482 C VAL A 309 7.425 -2.064 4.560 1.00 0.00 C ATOM 483 O VAL A 309 7.757 -1.641 5.650 1.00 0.00 O ATOM 484 CB VAL A 309 6.233 -0.357 3.167 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.087 -0.578 1.919 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.850 0.152 2.756 1.00 0.00 C ATOM 0 H VAL A 309 5.279 -0.658 5.620 1.00 0.00 H new ATOM 0 HA VAL A 309 5.801 -2.503 3.275 1.00 0.00 H new ATOM 0 HB VAL A 309 6.712 0.381 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.190 0.362 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.073 -0.938 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.608 -1.316 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.954 1.093 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.368 -0.584 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.241 0.310 3.646 1.00 0.00 H new ATOM 496 N LYS A 310 8.203 -2.855 3.872 1.00 0.00 N ATOM 497 CA LYS A 310 9.528 -3.265 4.414 1.00 0.00 C ATOM 498 C LYS A 310 10.626 -2.416 3.767 1.00 0.00 C ATOM 499 O LYS A 310 10.988 -2.617 2.625 1.00 0.00 O ATOM 500 CB LYS A 310 9.677 -4.736 4.026 1.00 0.00 C ATOM 501 CG LYS A 310 11.135 -5.167 4.199 1.00 0.00 C ATOM 502 CD LYS A 310 11.213 -6.694 4.240 1.00 0.00 C ATOM 503 CE LYS A 310 11.699 -7.217 2.886 1.00 0.00 C ATOM 504 NZ LYS A 310 13.179 -7.306 3.017 1.00 0.00 N ATOM 0 H LYS A 310 7.976 -3.236 2.954 1.00 0.00 H new ATOM 0 HA LYS A 310 9.606 -3.128 5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 310 9.028 -5.354 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 310 9.364 -4.884 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.739 -4.783 3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.543 -4.746 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 310 11.893 -7.013 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 310 10.234 -7.113 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 310 11.263 -8.190 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 310 11.414 -6.544 2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 13.586 -7.658 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 13.566 -6.364 3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 13.420 -7.959 3.790 1.00 0.00 H new ATOM 681 N THR A 320 7.780 -0.934 8.727 1.00 0.00 N ATOM 682 CA THR A 320 6.889 -0.071 9.558 1.00 0.00 C ATOM 683 C THR A 320 5.561 0.180 8.839 1.00 0.00 C ATOM 684 O THR A 320 5.190 -0.536 7.929 1.00 0.00 O ATOM 685 CB THR A 320 7.655 1.239 9.741 1.00 0.00 C ATOM 686 OG1 THR A 320 8.029 1.750 8.470 1.00 0.00 O ATOM 687 CG2 THR A 320 8.906 0.987 10.582 1.00 0.00 C ATOM 0 HA THR A 320 6.646 -0.538 10.513 1.00 0.00 H new ATOM 0 HB THR A 320 7.019 1.964 10.250 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.241 1.006 7.868 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.451 1.922 10.712 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.616 0.597 11.558 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.544 0.262 10.077 1.00 0.00 H new ATOM 695 N TRP A 321 4.838 1.187 9.247 1.00 0.00 N ATOM 696 CA TRP A 321 3.529 1.478 8.596 1.00 0.00 C ATOM 697 C TRP A 321 3.548 2.852 7.921 1.00 0.00 C ATOM 698 O TRP A 321 3.997 3.829 8.487 1.00 0.00 O ATOM 699 CB TRP A 321 2.514 1.469 9.738 1.00 0.00 C ATOM 700 CG TRP A 321 1.992 0.083 9.942 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.278 -0.705 11.004 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.098 -0.688 9.088 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.613 -1.909 10.858 1.00 0.00 N ATOM 704 CE2 TRP A 321 0.875 -1.948 9.692 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.467 -0.420 7.860 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.052 -2.907 9.097 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.360 -1.383 7.260 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.566 -2.624 7.878 1.00 0.00 C ATOM 0 H TRP A 321 5.097 1.821 10.003 1.00 0.00 H new ATOM 0 HA TRP A 321 3.293 0.750 7.819 1.00 0.00 H new ATOM 0 HB2 TRP A 321 2.981 1.830 10.654 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.692 2.147 9.511 1.00 0.00 H new ATOM 0 HD1 TRP A 321 2.920 -0.438 11.830 1.00 0.00 H new ATOM 0 HE1 TRP A 321 1.662 -2.675 11.530 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.620 0.533 7.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 -0.105 -3.862 9.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.840 -1.166 6.317 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.203 -3.361 7.411 1.00 0.00 H new ATOM 719 N GLU A 322 3.043 2.934 6.722 1.00 0.00 N ATOM 720 CA GLU A 322 3.001 4.241 6.007 1.00 0.00 C ATOM 721 C GLU A 322 1.656 4.382 5.292 1.00 0.00 C ATOM 722 O GLU A 322 0.997 3.405 5.005 1.00 0.00 O ATOM 723 CB GLU A 322 4.150 4.196 4.999 1.00 0.00 C ATOM 724 CG GLU A 322 5.419 4.762 5.642 1.00 0.00 C ATOM 725 CD GLU A 322 5.135 6.161 6.193 1.00 0.00 C ATOM 726 OE1 GLU A 322 4.851 7.042 5.399 1.00 0.00 O ATOM 727 OE2 GLU A 322 5.207 6.327 7.399 1.00 0.00 O ATOM 0 H GLU A 322 2.655 2.147 6.203 1.00 0.00 H new ATOM 0 HA GLU A 322 3.105 5.091 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.322 3.170 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.891 4.773 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.756 4.106 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 322 6.223 4.806 4.907 1.00 0.00 H new ATOM 734 N ASN A 323 1.238 5.581 5.003 1.00 0.00 N ATOM 735 CA ASN A 323 -0.064 5.755 4.310 1.00 0.00 C ATOM 736 C ASN A 323 -0.084 4.902 3.044 1.00 0.00 C ATOM 737 O ASN A 323 0.841 4.926 2.256 1.00 0.00 O ATOM 738 CB ASN A 323 -0.134 7.243 3.962 1.00 0.00 C ATOM 739 CG ASN A 323 0.198 8.074 5.204 1.00 0.00 C ATOM 740 OD1 ASN A 323 1.313 8.051 5.683 1.00 0.00 O ATOM 741 ND2 ASN A 323 -0.731 8.810 5.749 1.00 0.00 N ATOM 0 H ASN A 323 1.739 6.443 5.216 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.912 5.447 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.567 7.473 3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.130 7.496 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -0.520 9.366 6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -1.668 8.829 5.346 1.00 0.00 H new ATOM 748 N ALA A 324 -1.131 4.158 2.830 1.00 0.00 N ATOM 749 CA ALA A 324 -1.194 3.326 1.600 1.00 0.00 C ATOM 750 C ALA A 324 -1.256 4.254 0.397 1.00 0.00 C ATOM 751 O ALA A 324 -1.022 3.863 -0.728 1.00 0.00 O ATOM 752 CB ALA A 324 -2.479 2.508 1.723 1.00 0.00 C ATOM 0 H ALA A 324 -1.939 4.090 3.448 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.330 2.672 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.589 1.870 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.432 1.889 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.334 3.181 1.791 1.00 0.00 H new ATOM 758 N THR A 325 -1.561 5.496 0.643 1.00 0.00 N ATOM 759 CA THR A 325 -1.635 6.482 -0.461 1.00 0.00 C ATOM 760 C THR A 325 -0.224 6.892 -0.872 1.00 0.00 C ATOM 761 O THR A 325 0.107 6.948 -2.040 1.00 0.00 O ATOM 762 CB THR A 325 -2.400 7.658 0.140 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.315 7.172 1.112 1.00 0.00 O ATOM 764 CG2 THR A 325 -3.165 8.388 -0.960 1.00 0.00 C ATOM 0 H THR A 325 -1.763 5.870 1.570 1.00 0.00 H new ATOM 0 HA THR A 325 -2.123 6.097 -1.356 1.00 0.00 H new ATOM 0 HB THR A 325 -1.699 8.348 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 325 -3.808 7.924 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 325 -3.710 9.227 -0.528 1.00 0.00 H new ATOM 0 HG22 THR A 325 -2.463 8.757 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 325 -3.869 7.702 -1.431 1.00 0.00 H new ATOM 772 N ASP A 326 0.616 7.160 0.086 1.00 0.00 N ATOM 773 CA ASP A 326 2.016 7.545 -0.240 1.00 0.00 C ATOM 774 C ASP A 326 2.712 6.374 -0.928 1.00 0.00 C ATOM 775 O ASP A 326 3.297 6.516 -1.982 1.00 0.00 O ATOM 776 CB ASP A 326 2.675 7.844 1.107 1.00 0.00 C ATOM 777 CG ASP A 326 2.622 9.347 1.383 1.00 0.00 C ATOM 778 OD1 ASP A 326 3.060 10.102 0.530 1.00 0.00 O ATOM 779 OD2 ASP A 326 2.145 9.719 2.443 1.00 0.00 O ATOM 0 H ASP A 326 0.394 7.129 1.081 1.00 0.00 H new ATOM 0 HA ASP A 326 2.072 8.403 -0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.164 7.300 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.710 7.502 1.101 1.00 0.00 H new ATOM 784 N ILE A 327 2.644 5.209 -0.341 1.00 0.00 N ATOM 785 CA ILE A 327 3.294 4.024 -0.967 1.00 0.00 C ATOM 786 C ILE A 327 2.717 3.805 -2.366 1.00 0.00 C ATOM 787 O ILE A 327 3.403 3.373 -3.266 1.00 0.00 O ATOM 788 CB ILE A 327 2.966 2.847 -0.046 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.737 3.002 1.267 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.377 1.534 -0.717 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.213 3.261 0.958 1.00 0.00 C ATOM 0 H ILE A 327 2.168 5.028 0.543 1.00 0.00 H new ATOM 0 HA ILE A 327 4.371 4.146 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 327 1.894 2.833 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.325 3.826 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.633 2.101 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.141 0.699 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.834 1.419 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.448 1.547 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.766 3.372 1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.619 2.422 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.307 4.174 0.370 1.00 0.00 H new ATOM 803 N VAL A 328 1.465 4.115 -2.568 1.00 0.00 N ATOM 804 CA VAL A 328 0.886 3.937 -3.928 1.00 0.00 C ATOM 805 C VAL A 328 1.690 4.791 -4.904 1.00 0.00 C ATOM 806 O VAL A 328 2.115 4.338 -5.945 1.00 0.00 O ATOM 807 CB VAL A 328 -0.554 4.439 -3.827 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.084 4.781 -5.220 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.425 3.347 -3.209 1.00 0.00 C ATOM 0 H VAL A 328 0.827 4.479 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 328 0.913 2.905 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.582 5.332 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.111 5.138 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.463 5.558 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.057 3.891 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.453 3.700 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.392 2.456 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.052 3.104 -2.214 1.00 0.00 H new ATOM 819 N LYS A 329 1.919 6.024 -4.551 1.00 0.00 N ATOM 820 CA LYS A 329 2.715 6.922 -5.435 1.00 0.00 C ATOM 821 C LYS A 329 4.204 6.603 -5.273 1.00 0.00 C ATOM 822 O LYS A 329 4.919 6.418 -6.238 1.00 0.00 O ATOM 823 CB LYS A 329 2.410 8.338 -4.942 1.00 0.00 C ATOM 824 CG LYS A 329 1.010 8.748 -5.399 1.00 0.00 C ATOM 825 CD LYS A 329 0.220 9.283 -4.203 1.00 0.00 C ATOM 826 CE LYS A 329 0.752 10.665 -3.816 1.00 0.00 C ATOM 827 NZ LYS A 329 -0.122 11.114 -2.696 1.00 0.00 N ATOM 0 H LYS A 329 1.589 6.451 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 329 2.468 6.804 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.475 8.378 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 329 3.150 9.037 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 329 1.078 9.511 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.494 7.894 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.839 9.346 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.309 8.598 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 329 1.796 10.614 -3.506 1.00 0.00 H new ATOM 0 HE3 LYS A 329 0.703 11.357 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 0.181 12.056 -2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 -1.108 11.160 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 -0.049 10.440 -1.907 1.00 0.00 H new ATOM 841 N LEU A 330 4.670 6.518 -4.055 1.00 0.00 N ATOM 842 CA LEU A 330 6.103 6.189 -3.823 1.00 0.00 C ATOM 843 C LEU A 330 6.411 4.837 -4.462 1.00 0.00 C ATOM 844 O LEU A 330 7.344 4.687 -5.227 1.00 0.00 O ATOM 845 CB LEU A 330 6.233 6.103 -2.305 1.00 0.00 C ATOM 846 CG LEU A 330 7.533 6.775 -1.857 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.317 8.286 -1.751 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.945 6.222 -0.490 1.00 0.00 C ATOM 0 H LEU A 330 4.117 6.663 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 330 6.789 6.921 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.380 6.587 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.224 5.060 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 330 8.318 6.571 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.243 8.764 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 330 7.021 8.680 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.533 8.491 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.871 6.699 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.159 6.427 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.098 5.145 -0.564 1.00 0.00 H new ATOM 860 N ALA A 331 5.610 3.856 -4.154 1.00 0.00 N ATOM 861 CA ALA A 331 5.806 2.500 -4.733 1.00 0.00 C ATOM 862 C ALA A 331 4.450 1.939 -5.180 1.00 0.00 C ATOM 863 O ALA A 331 3.840 1.159 -4.477 1.00 0.00 O ATOM 864 CB ALA A 331 6.387 1.658 -3.597 1.00 0.00 C ATOM 0 H ALA A 331 4.818 3.938 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 331 6.463 2.505 -5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.559 0.641 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.331 2.093 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.686 1.639 -2.763 1.00 0.00 H new ATOM 870 N PRO A 332 4.021 2.371 -6.337 1.00 0.00 N ATOM 871 CA PRO A 332 2.716 1.919 -6.887 1.00 0.00 C ATOM 872 C PRO A 332 2.774 0.436 -7.265 1.00 0.00 C ATOM 873 O PRO A 332 2.008 -0.369 -6.775 1.00 0.00 O ATOM 874 CB PRO A 332 2.529 2.793 -8.127 1.00 0.00 C ATOM 875 CG PRO A 332 3.912 3.205 -8.516 1.00 0.00 C ATOM 876 CD PRO A 332 4.705 3.302 -7.240 1.00 0.00 C ATOM 0 HA PRO A 332 1.896 2.015 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 332 2.040 2.241 -8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.905 3.660 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.357 2.477 -9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.899 4.162 -9.038 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.747 3.020 -7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.705 4.318 -6.844 1.00 0.00 H new ATOM 884 N GLU A 333 3.678 0.069 -8.130 1.00 0.00 N ATOM 885 CA GLU A 333 3.779 -1.362 -8.531 1.00 0.00 C ATOM 886 C GLU A 333 3.700 -2.253 -7.289 1.00 0.00 C ATOM 887 O GLU A 333 3.159 -3.341 -7.328 1.00 0.00 O ATOM 888 CB GLU A 333 5.142 -1.488 -9.209 1.00 0.00 C ATOM 889 CG GLU A 333 5.096 -0.784 -10.566 1.00 0.00 C ATOM 890 CD GLU A 333 6.335 0.098 -10.729 1.00 0.00 C ATOM 891 OE1 GLU A 333 7.341 -0.408 -11.199 1.00 0.00 O ATOM 892 OE2 GLU A 333 6.258 1.264 -10.381 1.00 0.00 O ATOM 0 H GLU A 333 4.349 0.695 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 333 2.972 -1.671 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.916 -1.045 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.401 -2.539 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 333 5.054 -1.521 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.193 -0.178 -10.642 1.00 0.00 H new ATOM 899 N GLN A 334 4.226 -1.796 -6.184 1.00 0.00 N ATOM 900 CA GLN A 334 4.166 -2.612 -4.940 1.00 0.00 C ATOM 901 C GLN A 334 2.743 -2.598 -4.387 1.00 0.00 C ATOM 902 O GLN A 334 2.088 -3.618 -4.307 1.00 0.00 O ATOM 903 CB GLN A 334 5.132 -1.933 -3.969 1.00 0.00 C ATOM 904 CG GLN A 334 6.489 -1.728 -4.649 1.00 0.00 C ATOM 905 CD GLN A 334 6.903 -3.012 -5.373 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.017 -3.033 -6.582 1.00 0.00 O ATOM 907 NE2 GLN A 334 7.133 -4.093 -4.677 1.00 0.00 N ATOM 0 H GLN A 334 4.694 -0.894 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 334 4.437 -3.654 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 334 4.726 -0.973 -3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.252 -2.543 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 334 6.430 -0.902 -5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 334 7.241 -1.459 -3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 334 7.037 -4.076 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 334 7.408 -4.954 -5.149 1.00 0.00 H new ATOM 916 N VAL A 335 2.250 -1.450 -4.018 1.00 0.00 N ATOM 917 CA VAL A 335 0.862 -1.381 -3.489 1.00 0.00 C ATOM 918 C VAL A 335 -0.070 -2.153 -4.426 1.00 0.00 C ATOM 919 O VAL A 335 -0.904 -2.919 -3.990 1.00 0.00 O ATOM 920 CB VAL A 335 0.536 0.117 -3.452 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.961 0.360 -3.669 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.935 0.672 -2.086 1.00 0.00 C ATOM 0 H VAL A 335 2.746 -0.560 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 335 0.745 -1.827 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 335 1.087 0.615 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.164 1.430 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.257 -0.038 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.528 -0.140 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.708 1.737 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.378 0.153 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.003 0.522 -1.930 1.00 0.00 H new ATOM 932 N LYS A 336 0.075 -1.976 -5.710 1.00 0.00 N ATOM 933 CA LYS A 336 -0.793 -2.724 -6.659 1.00 0.00 C ATOM 934 C LYS A 336 -0.550 -4.223 -6.475 1.00 0.00 C ATOM 935 O LYS A 336 -1.460 -4.980 -6.198 1.00 0.00 O ATOM 936 CB LYS A 336 -0.357 -2.263 -8.050 1.00 0.00 C ATOM 937 CG LYS A 336 -1.516 -2.438 -9.030 1.00 0.00 C ATOM 938 CD LYS A 336 -1.282 -3.695 -9.868 1.00 0.00 C ATOM 939 CE LYS A 336 -1.255 -3.321 -11.352 1.00 0.00 C ATOM 940 NZ LYS A 336 -0.657 -4.501 -12.039 1.00 0.00 N ATOM 0 H LYS A 336 0.754 -1.349 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.856 -2.542 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.048 -1.218 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.505 -2.841 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -2.458 -2.519 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.595 -1.565 -9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -0.341 -4.165 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.071 -4.423 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -2.258 -3.114 -11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -0.661 -2.423 -11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -0.606 -4.318 -13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 0.300 -4.670 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -1.248 -5.339 -11.866 1.00 0.00 H new ATOM 954 N HIS A 337 0.678 -4.657 -6.595 1.00 0.00 N ATOM 955 CA HIS A 337 0.969 -6.103 -6.391 1.00 0.00 C ATOM 956 C HIS A 337 0.481 -6.498 -4.998 1.00 0.00 C ATOM 957 O HIS A 337 -0.068 -7.562 -4.791 1.00 0.00 O ATOM 958 CB HIS A 337 2.490 -6.228 -6.490 1.00 0.00 C ATOM 959 CG HIS A 337 2.910 -6.087 -7.926 1.00 0.00 C ATOM 960 ND1 HIS A 337 2.136 -5.418 -8.860 1.00 0.00 N ATOM 961 CD2 HIS A 337 4.023 -6.522 -8.604 1.00 0.00 C ATOM 962 CE1 HIS A 337 2.786 -5.468 -10.037 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.942 -6.130 -9.937 1.00 0.00 N ATOM 0 H HIS A 337 1.485 -4.076 -6.824 1.00 0.00 H new ATOM 0 HA HIS A 337 0.478 -6.749 -7.118 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.969 -5.460 -5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 337 2.813 -7.193 -6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 337 4.837 -7.083 -8.169 1.00 0.00 H new ATOM 0 HE1 HIS A 337 2.418 -5.027 -10.951 1.00 0.00 H new ATOM 0 HE2 HIS A 337 4.619 -6.310 -10.678 1.00 0.00 H new ATOM 971 N PHE A 338 0.659 -5.620 -4.047 1.00 0.00 N ATOM 972 CA PHE A 338 0.190 -5.896 -2.664 1.00 0.00 C ATOM 973 C PHE A 338 -1.336 -5.953 -2.662 1.00 0.00 C ATOM 974 O PHE A 338 -1.947 -6.780 -2.014 1.00 0.00 O ATOM 975 CB PHE A 338 0.678 -4.701 -1.848 1.00 0.00 C ATOM 976 CG PHE A 338 -0.043 -4.665 -0.524 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.168 -5.828 0.243 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.593 -3.463 -0.070 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.842 -5.786 1.469 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.268 -3.419 1.155 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.393 -4.582 1.925 1.00 0.00 C ATOM 0 H PHE A 338 1.114 -4.716 -4.174 1.00 0.00 H new ATOM 0 HA PHE A 338 0.559 -6.840 -2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.754 -4.773 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.499 -3.776 -2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.255 -6.757 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.497 -2.567 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.937 -6.683 2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.692 -2.490 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.914 -4.550 2.870 1.00 0.00 H new ATOM 991 N GLN A 339 -1.948 -5.070 -3.400 1.00 0.00 N ATOM 992 CA GLN A 339 -3.434 -5.039 -3.480 1.00 0.00 C ATOM 993 C GLN A 339 -3.946 -6.308 -4.158 1.00 0.00 C ATOM 994 O GLN A 339 -4.929 -6.892 -3.748 1.00 0.00 O ATOM 995 CB GLN A 339 -3.741 -3.814 -4.337 1.00 0.00 C ATOM 996 CG GLN A 339 -4.308 -2.700 -3.455 1.00 0.00 C ATOM 997 CD GLN A 339 -5.836 -2.774 -3.462 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.502 -1.793 -3.728 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.425 -3.904 -3.176 1.00 0.00 N ATOM 0 H GLN A 339 -1.475 -4.359 -3.958 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.909 -4.988 -2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.835 -3.471 -4.836 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.456 -4.074 -5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -3.933 -2.801 -2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.978 -1.728 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -5.867 -4.728 -2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.443 -3.963 -3.176 1.00 0.00 H new