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 306 GLN : amide:sc= -0.632 K(o=-0.42,f=-7.3!) USER MOD Set 1.2: A 323 ASN : amide:sc= 0.212 X(o=-0.42,f=-0.64) USER MOD Single : A 293 SER OG : rot 180:sc= -0.077 USER MOD Single : A 294 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 307 TYR OH : rot 130:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -24:sc= 0.383 USER MOD Single : A 325 THR OG1 : rot 101:sc= 0.058 USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.7!) 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) USER MOD Single : A 339 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.865 2.003 -0.980 1.00 0.00 N ATOM 134 CA PRO A 287 10.212 0.802 -0.405 1.00 0.00 C ATOM 135 C PRO A 287 10.454 -0.416 -1.300 1.00 0.00 C ATOM 136 O PRO A 287 10.507 -0.307 -2.509 1.00 0.00 O ATOM 137 CB PRO A 287 8.731 1.173 -0.394 1.00 0.00 C ATOM 138 CG PRO A 287 8.585 2.201 -1.471 1.00 0.00 C ATOM 139 CD PRO A 287 9.895 2.936 -1.560 1.00 0.00 C ATOM 0 HA PRO A 287 10.592 0.539 0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.104 0.303 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.430 1.571 0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.342 1.730 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.772 2.889 -1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.145 3.182 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.864 3.875 -1.007 1.00 0.00 H new ATOM 147 N GLU A 288 10.598 -1.577 -0.720 1.00 0.00 N ATOM 148 CA GLU A 288 10.831 -2.797 -1.545 1.00 0.00 C ATOM 149 C GLU A 288 9.493 -3.428 -1.937 1.00 0.00 C ATOM 150 O GLU A 288 9.288 -3.827 -3.066 1.00 0.00 O ATOM 151 CB GLU A 288 11.623 -3.742 -0.640 1.00 0.00 C ATOM 152 CG GLU A 288 12.706 -4.446 -1.462 1.00 0.00 C ATOM 153 CD GLU A 288 13.831 -3.458 -1.776 1.00 0.00 C ATOM 154 OE1 GLU A 288 13.543 -2.277 -1.880 1.00 0.00 O ATOM 155 OE2 GLU A 288 14.960 -3.900 -1.906 1.00 0.00 O ATOM 0 H GLU A 288 10.564 -1.733 0.287 1.00 0.00 H new ATOM 0 HA GLU A 288 11.364 -2.576 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 288 12.078 -3.183 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.956 -4.478 -0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 288 13.100 -5.299 -0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 288 12.280 -4.835 -2.387 1.00 0.00 H new ATOM 162 N ARG A 289 8.581 -3.520 -1.009 1.00 0.00 N ATOM 163 CA ARG A 289 7.253 -4.122 -1.317 1.00 0.00 C ATOM 164 C ARG A 289 6.344 -4.032 -0.089 1.00 0.00 C ATOM 165 O ARG A 289 6.759 -3.604 0.969 1.00 0.00 O ATOM 166 CB ARG A 289 7.547 -5.583 -1.664 1.00 0.00 C ATOM 167 CG ARG A 289 8.410 -6.212 -0.568 1.00 0.00 C ATOM 168 CD ARG A 289 9.139 -7.435 -1.130 1.00 0.00 C ATOM 169 NE ARG A 289 8.266 -8.592 -0.792 1.00 0.00 N ATOM 170 CZ ARG A 289 8.795 -9.701 -0.350 1.00 0.00 C ATOM 171 NH1 ARG A 289 9.832 -10.214 -0.952 1.00 0.00 N ATOM 172 NH2 ARG A 289 8.285 -10.297 0.692 1.00 0.00 N ATOM 0 H ARG A 289 8.699 -3.203 -0.047 1.00 0.00 H new ATOM 0 HA ARG A 289 6.743 -3.609 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.614 -6.137 -1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 289 8.061 -5.642 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 289 9.132 -5.484 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.787 -6.504 0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 289 9.281 -7.349 -2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 289 10.128 -7.544 -0.685 1.00 0.00 H new ATOM 0 HE ARG A 289 7.255 -8.519 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 289 10.230 -9.749 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 289 10.245 -11.080 -0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 289 7.473 -9.897 1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 289 8.698 -11.163 1.037 1.00 0.00 H new ATOM 186 N ILE A 290 5.108 -4.427 -0.219 1.00 0.00 N ATOM 187 CA ILE A 290 4.181 -4.357 0.948 1.00 0.00 C ATOM 188 C ILE A 290 4.131 -5.703 1.673 1.00 0.00 C ATOM 189 O ILE A 290 4.305 -6.749 1.079 1.00 0.00 O ATOM 190 CB ILE A 290 2.802 -4.043 0.365 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.922 -3.040 -0.786 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.916 -3.450 1.458 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.553 -1.749 -0.276 1.00 0.00 C ATOM 0 H ILE A 290 4.700 -4.794 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 290 4.507 -3.605 1.666 1.00 0.00 H new ATOM 0 HB ILE A 290 2.362 -4.965 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.529 -3.462 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.938 -2.834 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.932 -3.225 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.813 -4.167 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.369 -2.534 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.638 -1.036 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.929 -1.325 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.545 -1.962 0.123 1.00 0.00 H new ATOM 205 N ILE A 291 3.872 -5.685 2.951 1.00 0.00 N ATOM 206 CA ILE A 291 3.782 -6.964 3.716 1.00 0.00 C ATOM 207 C ILE A 291 2.404 -7.075 4.358 1.00 0.00 C ATOM 208 O ILE A 291 1.860 -8.151 4.514 1.00 0.00 O ATOM 209 CB ILE A 291 4.866 -6.912 4.801 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.233 -5.458 5.142 1.00 0.00 C ATOM 211 CG2 ILE A 291 6.101 -7.655 4.303 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.198 -4.901 4.091 1.00 0.00 C ATOM 0 H ILE A 291 3.718 -4.840 3.501 1.00 0.00 H new ATOM 0 HA ILE A 291 3.927 -7.827 3.066 1.00 0.00 H new ATOM 0 HB ILE A 291 4.485 -7.385 5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.332 -4.846 5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.692 -5.412 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.877 -7.624 5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.841 -8.692 4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.469 -7.181 3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.453 -3.871 4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 291 7.105 -5.505 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.724 -4.930 3.110 1.00 0.00 H new ATOM 224 N ASP A 292 1.833 -5.965 4.724 1.00 0.00 N ATOM 225 CA ASP A 292 0.487 -5.994 5.350 1.00 0.00 C ATOM 226 C ASP A 292 -0.184 -4.624 5.207 1.00 0.00 C ATOM 227 O ASP A 292 0.450 -3.650 4.851 1.00 0.00 O ATOM 228 CB ASP A 292 0.742 -6.322 6.822 1.00 0.00 C ATOM 229 CG ASP A 292 -0.581 -6.673 7.504 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.530 -6.968 6.795 1.00 0.00 O ATOM 231 OD2 ASP A 292 -0.624 -6.642 8.723 1.00 0.00 O ATOM 0 H ASP A 292 2.242 -5.037 4.616 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.175 -6.723 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.438 -7.157 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 292 1.205 -5.470 7.320 1.00 0.00 H new ATOM 236 N SER A 293 -1.458 -4.537 5.478 1.00 0.00 N ATOM 237 CA SER A 293 -2.152 -3.221 5.349 1.00 0.00 C ATOM 238 C SER A 293 -2.914 -2.886 6.633 1.00 0.00 C ATOM 239 O SER A 293 -3.185 -3.743 7.451 1.00 0.00 O ATOM 240 CB SER A 293 -3.127 -3.393 4.186 1.00 0.00 C ATOM 241 OG SER A 293 -3.488 -4.763 4.074 1.00 0.00 O ATOM 0 H SER A 293 -2.046 -5.313 5.781 1.00 0.00 H new ATOM 0 HA SER A 293 -1.447 -2.408 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.016 -2.783 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.669 -3.049 3.259 1.00 0.00 H new ATOM 0 HG SER A 293 -4.115 -4.876 3.329 1.00 0.00 H new ATOM 247 N GLN A 294 -3.264 -1.643 6.809 1.00 0.00 N ATOM 248 CA GLN A 294 -4.014 -1.239 8.031 1.00 0.00 C ATOM 249 C GLN A 294 -4.998 -0.115 7.691 1.00 0.00 C ATOM 250 O GLN A 294 -4.722 1.049 7.906 1.00 0.00 O ATOM 251 CB GLN A 294 -2.946 -0.742 9.005 1.00 0.00 C ATOM 252 CG GLN A 294 -3.451 -0.901 10.441 1.00 0.00 C ATOM 253 CD GLN A 294 -2.629 -1.974 11.157 1.00 0.00 C ATOM 254 OE1 GLN A 294 -1.520 -1.723 11.586 1.00 0.00 O ATOM 255 NE2 GLN A 294 -3.129 -3.171 11.306 1.00 0.00 N ATOM 0 H GLN A 294 -3.062 -0.886 6.156 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.596 -2.058 8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.023 -1.306 8.868 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.713 0.304 8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -3.372 0.047 10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.505 -1.178 10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -4.060 -3.383 10.947 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -2.589 -3.894 11.782 1.00 0.00 H new ATOM 404 N LEU A 305 -5.796 4.988 6.079 1.00 0.00 N ATOM 405 CA LEU A 305 -5.257 3.872 5.250 1.00 0.00 C ATOM 406 C LEU A 305 -3.728 3.828 5.351 1.00 0.00 C ATOM 407 O LEU A 305 -3.050 4.789 5.048 1.00 0.00 O ATOM 408 CB LEU A 305 -5.692 4.200 3.822 1.00 0.00 C ATOM 409 CG LEU A 305 -5.268 3.069 2.887 1.00 0.00 C ATOM 410 CD1 LEU A 305 -6.070 1.810 3.214 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.532 3.478 1.436 1.00 0.00 C ATOM 0 HA LEU A 305 -5.623 2.898 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -6.773 4.333 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.243 5.140 3.500 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.205 2.869 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.768 1.003 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.882 1.517 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -7.133 2.011 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.229 2.670 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.595 3.679 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -4.960 4.376 1.201 1.00 0.00 H new ATOM 423 N GLN A 306 -3.180 2.720 5.774 1.00 0.00 N ATOM 424 CA GLN A 306 -1.695 2.625 5.892 1.00 0.00 C ATOM 425 C GLN A 306 -1.206 1.251 5.415 1.00 0.00 C ATOM 426 O GLN A 306 -1.768 0.229 5.753 1.00 0.00 O ATOM 427 CB GLN A 306 -1.403 2.811 7.382 1.00 0.00 C ATOM 428 CG GLN A 306 -1.609 4.278 7.765 1.00 0.00 C ATOM 429 CD GLN A 306 -0.277 4.883 8.216 1.00 0.00 C ATOM 430 OE1 GLN A 306 0.171 5.870 7.668 1.00 0.00 O ATOM 431 NE2 GLN A 306 0.377 4.329 9.200 1.00 0.00 N ATOM 0 H GLN A 306 -3.693 1.880 6.042 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.186 3.370 5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.060 2.174 7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.380 2.507 7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -2.003 4.834 6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.345 4.355 8.565 1.00 0.00 H new ATOM 0 HE21 GLN A 306 0.000 3.500 9.660 1.00 0.00 H new ATOM 0 HE22 GLN A 306 1.265 4.725 9.509 1.00 0.00 H new ATOM 440 N TYR A 307 -0.160 1.225 4.632 1.00 0.00 N ATOM 441 CA TYR A 307 0.376 -0.076 4.131 1.00 0.00 C ATOM 442 C TYR A 307 1.732 -0.377 4.774 1.00 0.00 C ATOM 443 O TYR A 307 2.615 0.457 4.796 1.00 0.00 O ATOM 444 CB TYR A 307 0.563 0.123 2.625 1.00 0.00 C ATOM 445 CG TYR A 307 -0.686 -0.276 1.873 1.00 0.00 C ATOM 446 CD1 TYR A 307 -1.900 -0.456 2.550 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.624 -0.466 0.487 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.049 -0.826 1.838 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.773 -0.835 -0.223 1.00 0.00 C ATOM 450 CZ TYR A 307 -2.984 -1.016 0.452 1.00 0.00 C ATOM 451 OH TYR A 307 -4.116 -1.381 -0.248 1.00 0.00 O ATOM 0 H TYR A 307 0.348 2.051 4.317 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.292 -0.904 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.800 1.167 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.408 -0.471 2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -1.950 -0.310 3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.311 -0.328 -0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -3.985 -0.965 2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.724 -0.980 -1.292 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.230 -0.787 -1.019 1.00 0.00 H new ATOM 461 N LEU A 308 1.920 -1.566 5.277 1.00 0.00 N ATOM 462 CA LEU A 308 3.235 -1.909 5.889 1.00 0.00 C ATOM 463 C LEU A 308 4.259 -2.144 4.776 1.00 0.00 C ATOM 464 O LEU A 308 4.083 -3.006 3.937 1.00 0.00 O ATOM 465 CB LEU A 308 2.990 -3.196 6.679 1.00 0.00 C ATOM 466 CG LEU A 308 4.200 -3.491 7.565 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.212 -2.526 8.754 1.00 0.00 C ATOM 468 CD2 LEU A 308 4.116 -4.931 8.079 1.00 0.00 C ATOM 0 H LEU A 308 1.224 -2.312 5.291 1.00 0.00 H new ATOM 0 HA LEU A 308 3.621 -1.118 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 308 2.094 -3.094 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.816 -4.027 5.995 1.00 0.00 H new ATOM 0 HG LEU A 308 5.114 -3.363 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 308 5.075 -2.737 9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.271 -1.500 8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.298 -2.653 9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.978 -5.143 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.202 -5.058 8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 308 4.108 -5.619 7.234 1.00 0.00 H new ATOM 480 N VAL A 309 5.316 -1.379 4.744 1.00 0.00 N ATOM 481 CA VAL A 309 6.327 -1.563 3.662 1.00 0.00 C ATOM 482 C VAL A 309 7.684 -1.978 4.238 1.00 0.00 C ATOM 483 O VAL A 309 7.998 -1.709 5.380 1.00 0.00 O ATOM 484 CB VAL A 309 6.437 -0.198 2.986 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.237 -0.339 1.689 1.00 0.00 C ATOM 486 CG2 VAL A 309 5.035 0.325 2.666 1.00 0.00 C ATOM 0 H VAL A 309 5.523 -0.639 5.415 1.00 0.00 H new ATOM 0 HA VAL A 309 6.031 -2.350 2.968 1.00 0.00 H new ATOM 0 HB VAL A 309 6.942 0.501 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.318 0.634 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.235 -0.715 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.729 -1.036 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 309 5.112 1.299 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.530 -0.372 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.463 0.421 3.589 1.00 0.00 H new ATOM 496 N LYS A 310 8.494 -2.624 3.441 1.00 0.00 N ATOM 497 CA LYS A 310 9.840 -3.051 3.921 1.00 0.00 C ATOM 498 C LYS A 310 10.923 -2.288 3.154 1.00 0.00 C ATOM 499 O LYS A 310 11.278 -2.636 2.045 1.00 0.00 O ATOM 500 CB LYS A 310 9.919 -4.546 3.615 1.00 0.00 C ATOM 501 CG LYS A 310 11.225 -5.110 4.177 1.00 0.00 C ATOM 502 CD LYS A 310 11.326 -6.599 3.839 1.00 0.00 C ATOM 503 CE LYS A 310 11.310 -7.418 5.131 1.00 0.00 C ATOM 504 NZ LYS A 310 9.874 -7.741 5.362 1.00 0.00 N ATOM 0 H LYS A 310 8.280 -2.875 2.476 1.00 0.00 H new ATOM 0 HA LYS A 310 9.989 -2.850 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 310 9.067 -5.064 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 310 9.872 -4.711 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 310 12.076 -4.573 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.260 -4.968 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 310 10.495 -6.894 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 310 12.243 -6.795 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 310 11.908 -8.324 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 310 11.726 -6.851 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 9.780 -8.303 6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 9.331 -6.859 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 9.507 -8.287 4.556 1.00 0.00 H new ATOM 681 N THR A 320 8.176 -0.838 8.353 1.00 0.00 N ATOM 682 CA THR A 320 7.280 -0.108 9.292 1.00 0.00 C ATOM 683 C THR A 320 5.909 0.119 8.650 1.00 0.00 C ATOM 684 O THR A 320 5.526 -0.565 7.720 1.00 0.00 O ATOM 685 CB THR A 320 7.981 1.225 9.552 1.00 0.00 C ATOM 686 OG1 THR A 320 8.325 1.828 8.313 1.00 0.00 O ATOM 687 CG2 THR A 320 9.248 0.982 10.373 1.00 0.00 C ATOM 0 HA THR A 320 7.107 -0.664 10.214 1.00 0.00 H new ATOM 0 HB THR A 320 7.313 1.887 10.104 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.398 1.137 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.749 1.932 10.559 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.982 0.520 11.324 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.917 0.321 9.822 1.00 0.00 H new ATOM 695 N TRP A 321 5.165 1.069 9.143 1.00 0.00 N ATOM 696 CA TRP A 321 3.818 1.335 8.567 1.00 0.00 C ATOM 697 C TRP A 321 3.771 2.728 7.935 1.00 0.00 C ATOM 698 O TRP A 321 4.264 3.691 8.488 1.00 0.00 O ATOM 699 CB TRP A 321 2.862 1.259 9.756 1.00 0.00 C ATOM 700 CG TRP A 321 2.379 -0.146 9.921 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.710 -0.964 10.946 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.487 -0.911 9.058 1.00 0.00 C ATOM 703 NE1 TRP A 321 2.075 -2.180 10.771 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.311 -2.197 9.622 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.819 -0.617 7.853 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.501 -3.156 9.014 1.00 0.00 C ATOM 707 CZ3 TRP A 321 0.004 -1.582 7.239 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.154 -2.849 7.819 1.00 0.00 C ATOM 0 H TRP A 321 5.432 1.673 9.920 1.00 0.00 H new ATOM 0 HA TRP A 321 3.559 0.624 7.782 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.367 1.590 10.664 1.00 0.00 H new ATOM 0 HB3 TRP A 321 2.017 1.929 9.599 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.364 -0.709 11.767 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.161 -2.968 11.413 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.934 0.356 7.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.381 -4.130 9.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.504 -1.347 6.315 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -0.782 -3.587 7.342 1.00 0.00 H new ATOM 719 N GLU A 322 3.176 2.838 6.781 1.00 0.00 N ATOM 720 CA GLU A 322 3.085 4.163 6.106 1.00 0.00 C ATOM 721 C GLU A 322 1.736 4.283 5.393 1.00 0.00 C ATOM 722 O GLU A 322 1.137 3.295 5.021 1.00 0.00 O ATOM 723 CB GLU A 322 4.232 4.174 5.096 1.00 0.00 C ATOM 724 CG GLU A 322 5.508 4.677 5.776 1.00 0.00 C ATOM 725 CD GLU A 322 5.244 6.044 6.406 1.00 0.00 C ATOM 726 OE1 GLU A 322 4.455 6.789 5.849 1.00 0.00 O ATOM 727 OE2 GLU A 322 5.835 6.324 7.437 1.00 0.00 O ATOM 0 H GLU A 322 2.747 2.064 6.274 1.00 0.00 H new ATOM 0 HA GLU A 322 3.157 4.997 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.390 3.171 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.981 4.815 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.829 3.969 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 322 6.316 4.750 5.048 1.00 0.00 H new ATOM 734 N ASN A 323 1.251 5.476 5.194 1.00 0.00 N ATOM 735 CA ASN A 323 -0.055 5.631 4.502 1.00 0.00 C ATOM 736 C ASN A 323 -0.035 4.850 3.190 1.00 0.00 C ATOM 737 O ASN A 323 0.925 4.894 2.447 1.00 0.00 O ATOM 738 CB ASN A 323 -0.190 7.131 4.235 1.00 0.00 C ATOM 739 CG ASN A 323 -0.749 7.822 5.481 1.00 0.00 C ATOM 740 OD1 ASN A 323 -0.094 8.660 6.069 1.00 0.00 O ATOM 741 ND2 ASN A 323 -1.939 7.504 5.911 1.00 0.00 N ATOM 0 H ASN A 323 1.701 6.346 5.479 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.890 5.252 5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.781 7.554 3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -0.850 7.302 3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -2.320 7.959 6.741 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -2.489 6.801 5.417 1.00 0.00 H new ATOM 748 N ALA A 324 -1.088 4.146 2.887 1.00 0.00 N ATOM 749 CA ALA A 324 -1.115 3.383 1.611 1.00 0.00 C ATOM 750 C ALA A 324 -1.216 4.371 0.457 1.00 0.00 C ATOM 751 O ALA A 324 -1.020 4.033 -0.691 1.00 0.00 O ATOM 752 CB ALA A 324 -2.365 2.509 1.683 1.00 0.00 C ATOM 0 H ALA A 324 -1.926 4.066 3.463 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.223 2.776 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.448 1.917 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.294 1.843 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.246 3.142 1.786 1.00 0.00 H new ATOM 758 N THR A 325 -1.511 5.601 0.764 1.00 0.00 N ATOM 759 CA THR A 325 -1.620 6.629 -0.300 1.00 0.00 C ATOM 760 C THR A 325 -0.222 7.031 -0.756 1.00 0.00 C ATOM 761 O THR A 325 0.088 7.030 -1.931 1.00 0.00 O ATOM 762 CB THR A 325 -2.334 7.799 0.370 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.249 7.301 1.338 1.00 0.00 O ATOM 764 CG2 THR A 325 -3.091 8.606 -0.680 1.00 0.00 C ATOM 0 H THR A 325 -1.682 5.938 1.711 1.00 0.00 H new ATOM 0 HA THR A 325 -2.158 6.282 -1.182 1.00 0.00 H new ATOM 0 HB THR A 325 -1.601 8.441 0.858 1.00 0.00 H new ATOM 0 HG1 THR A 325 -2.857 7.384 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 325 -3.600 9.441 -0.199 1.00 0.00 H new ATOM 0 HG22 THR A 325 -2.389 8.987 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 325 -3.825 7.967 -1.170 1.00 0.00 H new ATOM 772 N ASP A 326 0.632 7.356 0.170 1.00 0.00 N ATOM 773 CA ASP A 326 2.020 7.735 -0.204 1.00 0.00 C ATOM 774 C ASP A 326 2.704 6.536 -0.854 1.00 0.00 C ATOM 775 O ASP A 326 3.293 6.642 -1.910 1.00 0.00 O ATOM 776 CB ASP A 326 2.702 8.100 1.113 1.00 0.00 C ATOM 777 CG ASP A 326 2.731 9.622 1.266 1.00 0.00 C ATOM 778 OD1 ASP A 326 1.678 10.196 1.486 1.00 0.00 O ATOM 779 OD2 ASP A 326 3.807 10.188 1.158 1.00 0.00 O ATOM 0 H ASP A 326 0.429 7.376 1.169 1.00 0.00 H new ATOM 0 HA ASP A 326 2.060 8.562 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.167 7.650 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.717 7.702 1.132 1.00 0.00 H new ATOM 784 N ILE A 327 2.618 5.390 -0.236 1.00 0.00 N ATOM 785 CA ILE A 327 3.255 4.183 -0.829 1.00 0.00 C ATOM 786 C ILE A 327 2.673 3.924 -2.221 1.00 0.00 C ATOM 787 O ILE A 327 3.338 3.402 -3.087 1.00 0.00 O ATOM 788 CB ILE A 327 2.927 3.038 0.132 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.722 3.228 1.426 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.313 1.699 -0.503 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.201 3.432 1.086 1.00 0.00 C ATOM 0 H ILE A 327 2.136 5.239 0.650 1.00 0.00 H new ATOM 0 HA ILE A 327 4.332 4.295 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 327 1.858 3.040 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.342 4.088 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.602 2.358 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.077 0.888 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.756 1.562 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.382 1.693 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.770 3.568 2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.576 2.558 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.311 4.316 0.457 1.00 0.00 H new ATOM 803 N VAL A 328 1.445 4.302 -2.458 1.00 0.00 N ATOM 804 CA VAL A 328 0.876 4.088 -3.817 1.00 0.00 C ATOM 805 C VAL A 328 1.689 4.922 -4.806 1.00 0.00 C ATOM 806 O VAL A 328 2.164 4.434 -5.810 1.00 0.00 O ATOM 807 CB VAL A 328 -0.571 4.581 -3.741 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.074 4.939 -5.142 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.449 3.474 -3.160 1.00 0.00 C ATOM 0 H VAL A 328 0.822 4.742 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 328 0.908 3.048 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.617 5.465 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.104 5.289 -5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.448 5.726 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.028 4.057 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.481 3.820 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.396 2.594 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.097 3.217 -2.161 1.00 0.00 H new ATOM 819 N LYS A 329 1.869 6.176 -4.504 1.00 0.00 N ATOM 820 CA LYS A 329 2.673 7.055 -5.398 1.00 0.00 C ATOM 821 C LYS A 329 4.157 6.710 -5.242 1.00 0.00 C ATOM 822 O LYS A 329 4.875 6.551 -6.210 1.00 0.00 O ATOM 823 CB LYS A 329 2.394 8.478 -4.912 1.00 0.00 C ATOM 824 CG LYS A 329 1.283 9.099 -5.759 1.00 0.00 C ATOM 825 CD LYS A 329 0.235 9.734 -4.842 1.00 0.00 C ATOM 826 CE LYS A 329 0.930 10.609 -3.796 1.00 0.00 C ATOM 827 NZ LYS A 329 -0.136 11.514 -3.280 1.00 0.00 N ATOM 0 H LYS A 329 1.493 6.633 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 329 2.418 6.936 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.101 8.464 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 329 3.299 9.081 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 329 1.699 9.852 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.819 8.337 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.460 10.334 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 329 -0.351 8.957 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 329 1.356 10.004 -2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 329 1.750 11.176 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 0.265 12.145 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 -0.518 12.082 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 -0.899 10.947 -2.859 1.00 0.00 H new ATOM 841 N LEU A 330 4.614 6.572 -4.025 1.00 0.00 N ATOM 842 CA LEU A 330 6.042 6.213 -3.796 1.00 0.00 C ATOM 843 C LEU A 330 6.316 4.843 -4.412 1.00 0.00 C ATOM 844 O LEU A 330 7.251 4.653 -5.166 1.00 0.00 O ATOM 845 CB LEU A 330 6.183 6.146 -2.277 1.00 0.00 C ATOM 846 CG LEU A 330 7.519 6.751 -1.851 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.385 8.272 -1.759 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.914 6.191 -0.483 1.00 0.00 C ATOM 0 H LEU A 330 4.057 6.693 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 330 6.739 6.924 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.362 6.685 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.120 5.110 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 330 8.284 6.499 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.339 8.704 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 330 7.100 8.672 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.621 8.526 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.867 6.621 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.148 6.446 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.008 5.107 -0.547 1.00 0.00 H new ATOM 860 N ALA A 331 5.487 3.891 -4.094 1.00 0.00 N ATOM 861 CA ALA A 331 5.648 2.520 -4.645 1.00 0.00 C ATOM 862 C ALA A 331 4.301 2.029 -5.185 1.00 0.00 C ATOM 863 O ALA A 331 3.649 1.208 -4.570 1.00 0.00 O ATOM 864 CB ALA A 331 6.095 1.666 -3.458 1.00 0.00 C ATOM 0 H ALA A 331 4.692 4.007 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 331 6.365 2.475 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.236 0.635 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.034 2.054 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.334 1.699 -2.679 1.00 0.00 H new ATOM 870 N PRO A 332 3.924 2.561 -6.316 1.00 0.00 N ATOM 871 CA PRO A 332 2.633 2.184 -6.947 1.00 0.00 C ATOM 872 C PRO A 332 2.684 0.735 -7.437 1.00 0.00 C ATOM 873 O PRO A 332 1.744 -0.018 -7.276 1.00 0.00 O ATOM 874 CB PRO A 332 2.511 3.157 -8.120 1.00 0.00 C ATOM 875 CG PRO A 332 3.917 3.562 -8.425 1.00 0.00 C ATOM 876 CD PRO A 332 4.659 3.546 -7.115 1.00 0.00 C ATOM 0 HA PRO A 332 1.785 2.242 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 332 2.040 2.682 -8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.899 4.020 -7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.373 2.875 -9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.946 4.554 -8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.702 3.257 -7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.658 4.528 -6.641 1.00 0.00 H new ATOM 884 N GLU A 333 3.776 0.337 -8.029 1.00 0.00 N ATOM 885 CA GLU A 333 3.886 -1.065 -8.522 1.00 0.00 C ATOM 886 C GLU A 333 3.773 -2.040 -7.348 1.00 0.00 C ATOM 887 O GLU A 333 3.153 -3.079 -7.449 1.00 0.00 O ATOM 888 CB GLU A 333 5.269 -1.155 -9.164 1.00 0.00 C ATOM 889 CG GLU A 333 5.146 -0.941 -10.673 1.00 0.00 C ATOM 890 CD GLU A 333 5.354 -2.273 -11.395 1.00 0.00 C ATOM 891 OE1 GLU A 333 4.767 -3.253 -10.968 1.00 0.00 O ATOM 892 OE2 GLU A 333 6.097 -2.290 -12.362 1.00 0.00 O ATOM 0 H GLU A 333 4.596 0.921 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 333 3.096 -1.320 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.931 -0.405 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.714 -2.129 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.164 -0.534 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 333 5.885 -0.213 -11.009 1.00 0.00 H new ATOM 899 N GLN A 334 4.368 -1.710 -6.233 1.00 0.00 N ATOM 900 CA GLN A 334 4.292 -2.615 -5.052 1.00 0.00 C ATOM 901 C GLN A 334 2.881 -2.585 -4.460 1.00 0.00 C ATOM 902 O GLN A 334 2.265 -3.609 -4.247 1.00 0.00 O ATOM 903 CB GLN A 334 5.307 -2.056 -4.056 1.00 0.00 C ATOM 904 CG GLN A 334 6.722 -2.261 -4.599 1.00 0.00 C ATOM 905 CD GLN A 334 6.941 -3.743 -4.908 1.00 0.00 C ATOM 906 OE1 GLN A 334 6.322 -4.599 -4.306 1.00 0.00 O ATOM 907 NE2 GLN A 334 7.801 -4.085 -5.828 1.00 0.00 N ATOM 0 H GLN A 334 4.903 -0.853 -6.090 1.00 0.00 H new ATOM 0 HA GLN A 334 4.508 -3.652 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 334 5.121 -0.995 -3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 334 5.200 -2.555 -3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 334 6.867 -1.666 -5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 334 7.456 -1.918 -3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 334 8.320 -3.367 -6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 334 7.954 -5.070 -6.042 1.00 0.00 H new ATOM 916 N VAL A 335 2.362 -1.417 -4.199 1.00 0.00 N ATOM 917 CA VAL A 335 0.989 -1.329 -3.629 1.00 0.00 C ATOM 918 C VAL A 335 0.006 -2.050 -4.557 1.00 0.00 C ATOM 919 O VAL A 335 -0.910 -2.708 -4.108 1.00 0.00 O ATOM 920 CB VAL A 335 0.700 0.175 -3.530 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.799 0.450 -3.683 1.00 0.00 C ATOM 922 CG2 VAL A 335 1.160 0.678 -2.160 1.00 0.00 C ATOM 0 H VAL A 335 2.828 -0.523 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 335 0.892 -1.805 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 335 1.235 0.690 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -0.982 1.522 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.138 0.090 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.346 -0.066 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.959 1.746 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.619 0.146 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.229 0.500 -2.047 1.00 0.00 H new ATOM 932 N LYS A 336 0.195 -1.953 -5.846 1.00 0.00 N ATOM 933 CA LYS A 336 -0.726 -2.664 -6.780 1.00 0.00 C ATOM 934 C LYS A 336 -0.539 -4.169 -6.595 1.00 0.00 C ATOM 935 O LYS A 336 -1.480 -4.896 -6.341 1.00 0.00 O ATOM 936 CB LYS A 336 -0.299 -2.228 -8.182 1.00 0.00 C ATOM 937 CG LYS A 336 -1.511 -2.259 -9.117 1.00 0.00 C ATOM 938 CD LYS A 336 -2.491 -1.153 -8.719 1.00 0.00 C ATOM 939 CE LYS A 336 -3.427 -0.853 -9.893 1.00 0.00 C ATOM 940 NZ LYS A 336 -4.725 -1.482 -9.521 1.00 0.00 N ATOM 0 H LYS A 336 0.941 -1.417 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.777 -2.434 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 336 0.123 -1.224 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.481 -2.890 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -1.191 -2.121 -10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -2.001 -3.231 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -3.070 -1.461 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -1.945 -0.253 -8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -3.538 0.221 -10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -3.039 -1.268 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -5.419 -1.319 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -4.590 -2.505 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -5.073 -1.062 -8.636 1.00 0.00 H new ATOM 954 N HIS A 337 0.677 -4.640 -6.689 1.00 0.00 N ATOM 955 CA HIS A 337 0.922 -6.093 -6.482 1.00 0.00 C ATOM 956 C HIS A 337 0.435 -6.467 -5.083 1.00 0.00 C ATOM 957 O HIS A 337 -0.148 -7.509 -4.865 1.00 0.00 O ATOM 958 CB HIS A 337 2.439 -6.262 -6.592 1.00 0.00 C ATOM 959 CG HIS A 337 2.764 -7.208 -7.715 1.00 0.00 C ATOM 960 ND1 HIS A 337 3.204 -8.502 -7.487 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.726 -7.061 -9.080 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.412 -9.077 -8.685 1.00 0.00 C ATOM 963 NE2 HIS A 337 3.136 -8.242 -9.690 1.00 0.00 N ATOM 0 H HIS A 337 1.505 -4.083 -6.899 1.00 0.00 H new ATOM 0 HA HIS A 337 0.404 -6.727 -7.201 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.910 -5.295 -6.770 1.00 0.00 H new ATOM 0 HB3 HIS A 337 2.841 -6.644 -5.654 1.00 0.00 H new ATOM 0 HD2 HIS A 337 2.424 -6.164 -9.601 1.00 0.00 H new ATOM 0 HE1 HIS A 337 3.760 -10.091 -8.818 1.00 0.00 H new ATOM 0 HE2 HIS A 337 3.210 -8.430 -10.690 1.00 0.00 H new ATOM 971 N PHE A 338 0.658 -5.594 -4.137 1.00 0.00 N ATOM 972 CA PHE A 338 0.200 -5.851 -2.746 1.00 0.00 C ATOM 973 C PHE A 338 -1.327 -5.788 -2.695 1.00 0.00 C ATOM 974 O PHE A 338 -1.978 -6.561 -2.021 1.00 0.00 O ATOM 975 CB PHE A 338 0.801 -4.713 -1.925 1.00 0.00 C ATOM 976 CG PHE A 338 0.137 -4.666 -0.576 1.00 0.00 C ATOM 977 CD1 PHE A 338 0.066 -5.819 0.212 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.405 -3.466 -0.114 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.549 -5.769 1.466 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.022 -3.415 1.141 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.094 -4.568 1.932 1.00 0.00 C ATOM 0 H PHE A 338 1.142 -4.707 -4.273 1.00 0.00 H new ATOM 0 HA PHE A 338 0.503 -6.830 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.875 -4.861 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.664 -3.764 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.486 -6.747 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.348 -2.577 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.604 -6.659 2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.442 -2.487 1.499 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.570 -4.530 2.901 1.00 0.00 H new ATOM 991 N GLN A 339 -1.894 -4.858 -3.413 1.00 0.00 N ATOM 992 CA GLN A 339 -3.375 -4.708 -3.434 1.00 0.00 C ATOM 993 C GLN A 339 -4.039 -5.994 -3.935 1.00 0.00 C ATOM 994 O GLN A 339 -4.953 -6.510 -3.323 1.00 0.00 O ATOM 995 CB GLN A 339 -3.625 -3.560 -4.411 1.00 0.00 C ATOM 996 CG GLN A 339 -4.023 -2.303 -3.636 1.00 0.00 C ATOM 997 CD GLN A 339 -5.372 -1.793 -4.148 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.274 -2.569 -4.394 1.00 0.00 O ATOM 999 NE2 GLN A 339 -5.549 -0.511 -4.320 1.00 0.00 N ATOM 0 H GLN A 339 -1.388 -4.188 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.788 -4.512 -2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.728 -3.368 -4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.414 -3.832 -5.113 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -4.087 -2.525 -2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.262 -1.532 -3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -4.792 0.141 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -6.444 -0.161 -4.661 1.00 0.00 H new