USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 357 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 408 ASN : amide:sc= -0.0185 X(o=-0.018,f=-0.087) USER MOD Set 1.2: A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 379 SER OG : rot 27:sc= 0.107 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.746 F(o=-1.7!,f=-0.75) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 385 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 388 ASN : amide:sc= 0.438 K(o=0.44,f=-1.4) USER MOD Single : A 391 LYS NZ :NH3+ -168:sc= 0.266 (180deg=-0.129) USER MOD Single : A 393 ASN : amide:sc= 0.584 K(o=0.58,f=-5!) USER MOD Single : A 394 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 395 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0549) USER MOD Single : A 399 ASN :FLIP amide:sc= -0.128 F(o=-0.99,f=-0.13) USER MOD Single : A 401 LYS NZ :NH3+ -156:sc= 0.445 (180deg=-0.29!) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 412 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.048) USER MOD Single : A 413 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.925) USER MOD Single : A 418 LYS NZ :NH3+ 153:sc= -0.167 (180deg=-0.891) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 142:sc= 1.12 (180deg=-0.257!) USER MOD ----------------------------------------------------------------- ATOM 128 N SER A 379 3.251 -9.167 -3.316 1.00 0.00 N ATOM 129 CA SER A 379 2.300 -9.024 -2.229 1.00 0.00 C ATOM 130 C SER A 379 1.861 -7.571 -2.074 1.00 0.00 C ATOM 131 O SER A 379 0.680 -7.292 -1.897 1.00 0.00 O ATOM 132 CB SER A 379 2.908 -9.553 -0.931 1.00 0.00 C ATOM 133 OG SER A 379 3.309 -10.907 -1.082 1.00 0.00 O ATOM 0 HA SER A 379 1.413 -9.612 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 379 3.767 -8.943 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 379 2.181 -9.471 -0.123 1.00 0.00 H new ATOM 0 HG SER A 379 3.516 -11.084 -2.023 1.00 0.00 H new ATOM 139 N ALA A 380 2.807 -6.650 -2.180 1.00 0.00 N ATOM 140 CA ALA A 380 2.497 -5.233 -2.068 1.00 0.00 C ATOM 141 C ALA A 380 1.682 -4.744 -3.262 1.00 0.00 C ATOM 142 O ALA A 380 0.710 -4.008 -3.096 1.00 0.00 O ATOM 143 CB ALA A 380 3.772 -4.420 -1.939 1.00 0.00 C ATOM 0 H ALA A 380 3.792 -6.857 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 380 1.895 -5.096 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 380 3.522 -3.362 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 380 4.316 -4.735 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 380 4.395 -4.578 -2.819 1.00 0.00 H new ATOM 149 N GLU A 381 2.069 -5.165 -4.461 1.00 0.00 N ATOM 150 CA GLU A 381 1.424 -4.683 -5.674 1.00 0.00 C ATOM 151 C GLU A 381 -0.010 -5.185 -5.775 1.00 0.00 C ATOM 152 O GLU A 381 -0.933 -4.400 -5.975 1.00 0.00 O ATOM 153 CB GLU A 381 2.198 -5.105 -6.922 1.00 0.00 C ATOM 154 CG GLU A 381 1.633 -4.503 -8.198 1.00 0.00 C ATOM 155 CD GLU A 381 2.267 -5.061 -9.453 1.00 0.00 C ATOM 156 OE1 GLU A 381 1.576 -5.789 -10.198 1.00 0.00 O ATOM 157 OE2 GLU A 381 3.452 -4.762 -9.712 1.00 0.00 O ATOM 0 H GLU A 381 2.822 -5.835 -4.618 1.00 0.00 H new ATOM 0 HA GLU A 381 1.415 -3.595 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 381 3.241 -4.806 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 381 2.185 -6.192 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 381 0.558 -4.682 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 381 1.776 -3.423 -8.176 1.00 0.00 H new ATOM 164 N ASN A 382 -0.198 -6.492 -5.626 1.00 0.00 N ATOM 165 CA ASN A 382 -1.525 -7.078 -5.782 1.00 0.00 C ATOM 166 C ASN A 382 -2.451 -6.592 -4.675 1.00 0.00 C ATOM 167 O ASN A 382 -3.636 -6.382 -4.906 1.00 0.00 O ATOM 168 CB ASN A 382 -1.457 -8.614 -5.809 1.00 0.00 C ATOM 169 CG ASN A 382 -1.598 -9.259 -4.439 1.00 0.00 C ATOM 170 OD1 ASN A 382 -0.491 -9.397 -3.734 1.00 0.00 O flip ATOM 171 ND2 ASN A 382 -2.695 -9.626 -4.020 1.00 0.00 N flip ATOM 0 H ASN A 382 0.541 -7.158 -5.400 1.00 0.00 H new ATOM 0 HA ASN A 382 -1.931 -6.752 -6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -2.245 -8.992 -6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -0.507 -8.919 -6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -3.528 -9.502 -4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -2.771 -10.054 -3.097 1.00 0.00 H new ATOM 178 N LYS A 383 -1.894 -6.369 -3.489 1.00 0.00 N ATOM 179 CA LYS A 383 -2.676 -5.889 -2.357 1.00 0.00 C ATOM 180 C LYS A 383 -3.158 -4.476 -2.636 1.00 0.00 C ATOM 181 O LYS A 383 -4.330 -4.154 -2.446 1.00 0.00 O ATOM 182 CB LYS A 383 -1.836 -5.909 -1.079 1.00 0.00 C ATOM 183 CG LYS A 383 -2.387 -6.817 0.010 1.00 0.00 C ATOM 184 CD LYS A 383 -2.405 -8.273 -0.428 1.00 0.00 C ATOM 185 CE LYS A 383 -2.894 -9.187 0.685 1.00 0.00 C ATOM 186 NZ LYS A 383 -2.940 -10.609 0.256 1.00 0.00 N ATOM 0 H LYS A 383 -0.905 -6.513 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 383 -3.535 -6.546 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -0.824 -6.229 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -1.763 -4.894 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -1.781 -6.715 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -3.398 -6.502 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -3.050 -8.383 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -1.403 -8.574 -0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -2.237 -9.090 1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -3.888 -8.872 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -3.278 -11.198 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -3.587 -10.707 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -1.987 -10.918 -0.023 1.00 0.00 H new ATOM 200 N GLU A 384 -2.233 -3.651 -3.105 1.00 0.00 N ATOM 201 CA GLU A 384 -2.539 -2.298 -3.530 1.00 0.00 C ATOM 202 C GLU A 384 -3.608 -2.327 -4.619 1.00 0.00 C ATOM 203 O GLU A 384 -4.607 -1.609 -4.555 1.00 0.00 O ATOM 204 CB GLU A 384 -1.263 -1.634 -4.055 1.00 0.00 C ATOM 205 CG GLU A 384 -1.449 -0.192 -4.486 1.00 0.00 C ATOM 206 CD GLU A 384 -0.203 0.385 -5.129 1.00 0.00 C ATOM 207 OE1 GLU A 384 -0.110 0.359 -6.376 1.00 0.00 O ATOM 208 OE2 GLU A 384 0.696 0.848 -4.394 1.00 0.00 O ATOM 0 H GLU A 384 -1.249 -3.904 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 384 -2.920 -1.725 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 384 -0.499 -1.674 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 384 -0.888 -2.210 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 384 -2.279 -0.130 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 384 -1.720 0.411 -3.619 1.00 0.00 H new ATOM 215 N LYS A 385 -3.404 -3.204 -5.596 1.00 0.00 N ATOM 216 CA LYS A 385 -4.302 -3.329 -6.735 1.00 0.00 C ATOM 217 C LYS A 385 -5.701 -3.774 -6.300 1.00 0.00 C ATOM 218 O LYS A 385 -6.698 -3.410 -6.921 1.00 0.00 O ATOM 219 CB LYS A 385 -3.716 -4.321 -7.744 1.00 0.00 C ATOM 220 CG LYS A 385 -4.238 -4.138 -9.156 1.00 0.00 C ATOM 221 CD LYS A 385 -4.002 -2.718 -9.637 1.00 0.00 C ATOM 222 CE LYS A 385 -4.376 -2.548 -11.096 1.00 0.00 C ATOM 223 NZ LYS A 385 -4.122 -1.161 -11.565 1.00 0.00 N ATOM 0 H LYS A 385 -2.612 -3.847 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 385 -4.401 -2.350 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 385 -2.631 -4.219 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 385 -3.938 -5.335 -7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 385 -3.743 -4.841 -9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 385 -5.304 -4.365 -9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 385 -4.586 -2.027 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 385 -2.953 -2.457 -9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 385 -3.804 -3.249 -11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 385 -5.429 -2.793 -11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 385 -4.389 -1.079 -12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 385 -4.687 -0.495 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 385 -3.112 -0.937 -11.456 1.00 0.00 H new ATOM 237 N ILE A 386 -5.771 -4.546 -5.223 1.00 0.00 N ATOM 238 CA ILE A 386 -7.049 -4.997 -4.688 1.00 0.00 C ATOM 239 C ILE A 386 -7.826 -3.808 -4.136 1.00 0.00 C ATOM 240 O ILE A 386 -9.044 -3.700 -4.313 1.00 0.00 O ATOM 241 CB ILE A 386 -6.847 -6.057 -3.580 1.00 0.00 C ATOM 242 CG1 ILE A 386 -6.303 -7.355 -4.182 1.00 0.00 C ATOM 243 CG2 ILE A 386 -8.146 -6.323 -2.831 1.00 0.00 C ATOM 244 CD1 ILE A 386 -5.894 -8.380 -3.145 1.00 0.00 C ATOM 0 H ILE A 386 -4.957 -4.873 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 386 -7.616 -5.457 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 386 -6.121 -5.667 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 386 -7.062 -7.791 -4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 386 -5.443 -7.122 -4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 386 -7.974 -7.072 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 386 -8.496 -5.399 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 386 -8.900 -6.688 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 386 -5.519 -9.273 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 386 -5.112 -7.963 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 386 -6.757 -8.642 -2.533 1.00 0.00 H new ATOM 256 N CYS A 387 -7.103 -2.905 -3.491 1.00 0.00 N ATOM 257 CA CYS A 387 -7.691 -1.684 -2.968 1.00 0.00 C ATOM 258 C CYS A 387 -8.087 -0.751 -4.114 1.00 0.00 C ATOM 259 O CYS A 387 -9.139 -0.107 -4.069 1.00 0.00 O ATOM 260 CB CYS A 387 -6.701 -0.990 -2.029 1.00 0.00 C ATOM 261 SG CYS A 387 -6.130 -2.035 -0.648 1.00 0.00 S ATOM 0 H CYS A 387 -6.102 -2.997 -3.317 1.00 0.00 H new ATOM 0 HA CYS A 387 -8.590 -1.937 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 387 -5.836 -0.664 -2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 387 -7.169 -0.093 -1.623 1.00 0.00 H new ATOM 266 N ASN A 388 -7.252 -0.705 -5.152 1.00 0.00 N ATOM 267 CA ASN A 388 -7.523 0.124 -6.331 1.00 0.00 C ATOM 268 C ASN A 388 -8.726 -0.416 -7.104 1.00 0.00 C ATOM 269 O ASN A 388 -9.394 0.319 -7.825 1.00 0.00 O ATOM 270 CB ASN A 388 -6.303 0.183 -7.262 1.00 0.00 C ATOM 271 CG ASN A 388 -5.052 0.726 -6.594 1.00 0.00 C ATOM 272 OD1 ASN A 388 -3.934 0.375 -6.981 1.00 0.00 O ATOM 273 ND2 ASN A 388 -5.226 1.572 -5.587 1.00 0.00 N ATOM 0 H ASN A 388 -6.380 -1.232 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 388 -7.743 1.132 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -6.097 -0.818 -7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -6.544 0.806 -8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -4.417 1.959 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -6.168 1.836 -5.299 1.00 0.00 H new ATOM 280 N ALA A 389 -8.982 -1.711 -6.959 1.00 0.00 N ATOM 281 CA ALA A 389 -10.140 -2.342 -7.584 1.00 0.00 C ATOM 282 C ALA A 389 -11.432 -1.926 -6.889 1.00 0.00 C ATOM 283 O ALA A 389 -12.490 -1.852 -7.511 1.00 0.00 O ATOM 284 CB ALA A 389 -9.989 -3.855 -7.558 1.00 0.00 C ATOM 0 H ALA A 389 -8.401 -2.347 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 389 -10.192 -2.009 -8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -10.859 -4.316 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -9.089 -4.140 -8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -9.911 -4.195 -6.525 1.00 0.00 H new ATOM 290 N ALA A 390 -11.333 -1.644 -5.598 1.00 0.00 N ATOM 291 CA ALA A 390 -12.489 -1.245 -4.812 1.00 0.00 C ATOM 292 C ALA A 390 -12.768 0.236 -4.997 1.00 0.00 C ATOM 293 O ALA A 390 -13.923 0.664 -5.053 1.00 0.00 O ATOM 294 CB ALA A 390 -12.259 -1.559 -3.350 1.00 0.00 C ATOM 0 H ALA A 390 -10.460 -1.685 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 390 -13.357 -1.806 -5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 390 -13.131 -1.256 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 390 -12.098 -2.630 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 390 -11.382 -1.018 -2.995 1.00 0.00 H new ATOM 300 N LYS A 391 -11.686 1.000 -5.078 1.00 0.00 N ATOM 301 CA LYS A 391 -11.731 2.423 -5.394 1.00 0.00 C ATOM 302 C LYS A 391 -12.325 3.248 -4.258 1.00 0.00 C ATOM 303 O LYS A 391 -11.615 3.629 -3.331 1.00 0.00 O ATOM 304 CB LYS A 391 -12.496 2.670 -6.701 1.00 0.00 C ATOM 305 CG LYS A 391 -11.918 1.907 -7.877 1.00 0.00 C ATOM 306 CD LYS A 391 -12.602 2.254 -9.186 1.00 0.00 C ATOM 307 CE LYS A 391 -11.981 1.489 -10.341 1.00 0.00 C ATOM 308 NZ LYS A 391 -10.498 1.615 -10.354 1.00 0.00 N ATOM 0 H LYS A 391 -10.742 0.646 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 391 -10.700 2.752 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -13.539 2.383 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 391 -12.486 3.736 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -10.853 2.124 -7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -12.013 0.837 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -13.664 2.020 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -12.523 3.325 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -12.256 0.437 -10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -12.386 1.861 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -10.127 1.257 -11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -10.234 2.615 -10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -10.096 1.061 -9.571 1.00 0.00 H new ATOM 322 N ASP A 392 -13.623 3.502 -4.317 1.00 0.00 N ATOM 323 CA ASP A 392 -14.263 4.403 -3.365 1.00 0.00 C ATOM 324 C ASP A 392 -15.226 3.668 -2.445 1.00 0.00 C ATOM 325 O ASP A 392 -15.984 4.298 -1.706 1.00 0.00 O ATOM 326 CB ASP A 392 -15.005 5.529 -4.095 1.00 0.00 C ATOM 327 CG ASP A 392 -16.065 5.022 -5.058 1.00 0.00 C ATOM 328 OD1 ASP A 392 -17.127 4.553 -4.598 1.00 0.00 O ATOM 329 OD2 ASP A 392 -15.846 5.106 -6.288 1.00 0.00 O ATOM 0 H ASP A 392 -14.254 3.100 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 392 -13.470 4.832 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -15.474 6.182 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -14.284 6.134 -4.645 1.00 0.00 H new ATOM 334 N ASN A 393 -15.201 2.344 -2.474 1.00 0.00 N ATOM 335 CA ASN A 393 -16.086 1.571 -1.614 1.00 0.00 C ATOM 336 C ASN A 393 -15.417 1.319 -0.269 1.00 0.00 C ATOM 337 O ASN A 393 -14.777 0.288 -0.059 1.00 0.00 O ATOM 338 CB ASN A 393 -16.484 0.241 -2.257 1.00 0.00 C ATOM 339 CG ASN A 393 -17.728 -0.343 -1.619 1.00 0.00 C ATOM 340 OD1 ASN A 393 -17.655 -1.079 -0.636 1.00 0.00 O ATOM 341 ND2 ASN A 393 -18.885 -0.016 -2.172 1.00 0.00 N ATOM 0 H ASN A 393 -14.589 1.789 -3.073 1.00 0.00 H new ATOM 0 HA ASN A 393 -16.995 2.153 -1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -16.658 0.390 -3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -15.661 -0.468 -2.165 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -19.756 -0.377 -1.783 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -18.906 0.597 -2.987 1.00 0.00 H new ATOM 348 N GLN A 394 -15.556 2.286 0.628 1.00 0.00 N ATOM 349 CA GLN A 394 -14.940 2.229 1.944 1.00 0.00 C ATOM 350 C GLN A 394 -15.337 0.963 2.688 1.00 0.00 C ATOM 351 O GLN A 394 -14.498 0.306 3.303 1.00 0.00 O ATOM 352 CB GLN A 394 -15.353 3.459 2.749 1.00 0.00 C ATOM 353 CG GLN A 394 -14.717 3.531 4.123 1.00 0.00 C ATOM 354 CD GLN A 394 -15.111 4.780 4.883 1.00 0.00 C ATOM 355 OE1 GLN A 394 -15.345 5.834 4.293 1.00 0.00 O ATOM 356 NE2 GLN A 394 -15.194 4.669 6.197 1.00 0.00 N ATOM 0 H GLN A 394 -16.100 3.133 0.462 1.00 0.00 H new ATOM 0 HA GLN A 394 -13.857 2.215 1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -15.087 4.355 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -16.437 3.462 2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -15.007 2.653 4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -13.632 3.500 4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -14.992 3.776 6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -15.461 5.476 6.761 1.00 0.00 H new ATOM 365 N LYS A 395 -16.616 0.626 2.607 1.00 0.00 N ATOM 366 CA LYS A 395 -17.156 -0.535 3.296 1.00 0.00 C ATOM 367 C LYS A 395 -16.370 -1.797 2.949 1.00 0.00 C ATOM 368 O LYS A 395 -15.868 -2.489 3.833 1.00 0.00 O ATOM 369 CB LYS A 395 -18.636 -0.710 2.940 1.00 0.00 C ATOM 370 CG LYS A 395 -19.343 -1.787 3.752 1.00 0.00 C ATOM 371 CD LYS A 395 -20.849 -1.753 3.538 1.00 0.00 C ATOM 372 CE LYS A 395 -21.228 -2.154 2.121 1.00 0.00 C ATOM 373 NZ LYS A 395 -21.011 -3.605 1.876 1.00 0.00 N ATOM 0 H LYS A 395 -17.305 1.147 2.065 1.00 0.00 H new ATOM 0 HA LYS A 395 -17.064 -0.371 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -19.150 0.240 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -18.718 -0.954 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -18.957 -2.767 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -19.122 -1.649 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -21.332 -2.425 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -21.223 -0.750 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -22.275 -1.909 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -20.639 -1.574 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -21.421 -3.867 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -19.991 -3.807 1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -21.469 -4.157 2.629 1.00 0.00 H new ATOM 387 N ALA A 396 -16.217 -2.065 1.661 1.00 0.00 N ATOM 388 CA ALA A 396 -15.581 -3.297 1.215 1.00 0.00 C ATOM 389 C ALA A 396 -14.089 -3.277 1.505 1.00 0.00 C ATOM 390 O ALA A 396 -13.483 -4.318 1.748 1.00 0.00 O ATOM 391 CB ALA A 396 -15.828 -3.521 -0.271 1.00 0.00 C ATOM 0 H ALA A 396 -16.523 -1.449 0.908 1.00 0.00 H new ATOM 0 HA ALA A 396 -16.025 -4.123 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 396 -15.345 -4.446 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 396 -16.900 -3.591 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 396 -15.416 -2.686 -0.838 1.00 0.00 H new ATOM 397 N CYS A 397 -13.506 -2.094 1.506 1.00 0.00 N ATOM 398 CA CYS A 397 -12.085 -1.952 1.763 1.00 0.00 C ATOM 399 C CYS A 397 -11.770 -2.190 3.229 1.00 0.00 C ATOM 400 O CYS A 397 -10.781 -2.842 3.570 1.00 0.00 O ATOM 401 CB CYS A 397 -11.612 -0.580 1.311 1.00 0.00 C ATOM 402 SG CYS A 397 -11.785 -0.347 -0.482 1.00 0.00 S ATOM 0 H CYS A 397 -13.995 -1.216 1.332 1.00 0.00 H new ATOM 0 HA CYS A 397 -11.548 -2.708 1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 397 -12.183 0.188 1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 397 -10.568 -0.447 1.593 1.00 0.00 H new ATOM 407 N GLU A 398 -12.627 -1.694 4.101 1.00 0.00 N ATOM 408 CA GLU A 398 -12.481 -1.962 5.516 1.00 0.00 C ATOM 409 C GLU A 398 -12.879 -3.409 5.822 1.00 0.00 C ATOM 410 O GLU A 398 -12.622 -3.918 6.909 1.00 0.00 O ATOM 411 CB GLU A 398 -13.295 -0.963 6.336 1.00 0.00 C ATOM 412 CG GLU A 398 -12.816 0.477 6.166 1.00 0.00 C ATOM 413 CD GLU A 398 -11.355 0.664 6.545 1.00 0.00 C ATOM 414 OE1 GLU A 398 -11.046 0.666 7.755 1.00 0.00 O ATOM 415 OE2 GLU A 398 -10.504 0.812 5.641 1.00 0.00 O ATOM 0 H GLU A 398 -13.425 -1.108 3.856 1.00 0.00 H new ATOM 0 HA GLU A 398 -11.435 -1.838 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 398 -14.343 -1.029 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 398 -13.241 -1.236 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 398 -12.959 0.782 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 398 -13.432 1.134 6.780 1.00 0.00 H new ATOM 422 N ASN A 399 -13.497 -4.073 4.842 1.00 0.00 N ATOM 423 CA ASN A 399 -13.741 -5.514 4.927 1.00 0.00 C ATOM 424 C ASN A 399 -12.464 -6.284 4.626 1.00 0.00 C ATOM 425 O ASN A 399 -12.018 -7.107 5.425 1.00 0.00 O ATOM 426 CB ASN A 399 -14.829 -5.971 3.949 1.00 0.00 C ATOM 427 CG ASN A 399 -16.227 -5.837 4.503 1.00 0.00 C ATOM 428 OD1 ASN A 399 -16.502 -4.731 5.161 1.00 0.00 O flip ATOM 429 ND2 ASN A 399 -17.075 -6.699 4.279 1.00 0.00 N flip ATOM 0 H ASN A 399 -13.836 -3.638 3.984 1.00 0.00 H new ATOM 0 HA ASN A 399 -14.078 -5.719 5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -14.752 -5.387 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -14.651 -7.012 3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -16.821 -7.543 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -18.032 -6.570 4.607 1.00 0.00 H new ATOM 436 N LEU A 400 -11.872 -6.010 3.468 1.00 0.00 N ATOM 437 CA LEU A 400 -10.645 -6.683 3.065 1.00 0.00 C ATOM 438 C LEU A 400 -9.428 -6.038 3.727 1.00 0.00 C ATOM 439 O LEU A 400 -8.284 -6.321 3.370 1.00 0.00 O ATOM 440 CB LEU A 400 -10.513 -6.723 1.529 1.00 0.00 C ATOM 441 CG LEU A 400 -10.897 -5.441 0.780 1.00 0.00 C ATOM 442 CD1 LEU A 400 -9.867 -4.354 0.997 1.00 0.00 C ATOM 443 CD2 LEU A 400 -11.076 -5.715 -0.706 1.00 0.00 C ATOM 0 H LEU A 400 -12.222 -5.328 2.795 1.00 0.00 H new ATOM 0 HA LEU A 400 -10.692 -7.716 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 400 -9.480 -6.968 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 400 -11.133 -7.537 1.154 1.00 0.00 H new ATOM 0 HG LEU A 400 -11.848 -5.093 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 400 -10.165 -3.457 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 400 -9.795 -4.128 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 400 -8.898 -4.693 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 400 -11.348 -4.791 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 400 -10.143 -6.097 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 400 -11.865 -6.453 -0.847 1.00 0.00 H new ATOM 455 N LYS A 401 -9.695 -5.174 4.706 1.00 0.00 N ATOM 456 CA LYS A 401 -8.660 -4.609 5.567 1.00 0.00 C ATOM 457 C LYS A 401 -7.867 -5.723 6.251 1.00 0.00 C ATOM 458 O LYS A 401 -6.723 -5.526 6.658 1.00 0.00 O ATOM 459 CB LYS A 401 -9.303 -3.712 6.623 1.00 0.00 C ATOM 460 CG LYS A 401 -8.335 -2.748 7.285 1.00 0.00 C ATOM 461 CD LYS A 401 -9.003 -1.996 8.414 1.00 0.00 C ATOM 462 CE LYS A 401 -8.255 -0.720 8.764 1.00 0.00 C ATOM 463 NZ LYS A 401 -8.362 0.294 7.681 1.00 0.00 N ATOM 0 H LYS A 401 -10.636 -4.847 4.924 1.00 0.00 H new ATOM 0 HA LYS A 401 -7.978 -4.019 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 401 -10.108 -3.142 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 401 -9.757 -4.339 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 401 -7.475 -3.297 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 401 -7.958 -2.041 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 401 -10.027 -1.751 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 401 -9.060 -2.637 9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 401 -8.654 -0.307 9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 401 -7.205 -0.951 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 -7.557 0.950 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 -8.353 -0.183 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 -9.250 0.824 7.789 1.00 0.00 H new ATOM 477 N GLU A 402 -8.495 -6.888 6.368 1.00 0.00 N ATOM 478 CA GLU A 402 -7.841 -8.091 6.878 1.00 0.00 C ATOM 479 C GLU A 402 -6.562 -8.377 6.090 1.00 0.00 C ATOM 480 O GLU A 402 -5.575 -8.871 6.631 1.00 0.00 O ATOM 481 CB GLU A 402 -8.806 -9.276 6.754 1.00 0.00 C ATOM 482 CG GLU A 402 -8.253 -10.602 7.255 1.00 0.00 C ATOM 483 CD GLU A 402 -8.029 -10.623 8.751 1.00 0.00 C ATOM 484 OE1 GLU A 402 -8.999 -10.868 9.497 1.00 0.00 O ATOM 485 OE2 GLU A 402 -6.884 -10.400 9.193 1.00 0.00 O ATOM 0 H GLU A 402 -9.473 -7.027 6.112 1.00 0.00 H new ATOM 0 HA GLU A 402 -7.575 -7.940 7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 402 -9.716 -9.045 7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 402 -9.089 -9.388 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 402 -8.943 -11.402 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 402 -7.310 -10.810 6.749 1.00 0.00 H new ATOM 492 N LYS A 403 -6.586 -8.030 4.809 1.00 0.00 N ATOM 493 CA LYS A 403 -5.465 -8.282 3.913 1.00 0.00 C ATOM 494 C LYS A 403 -4.462 -7.131 3.952 1.00 0.00 C ATOM 495 O LYS A 403 -3.432 -7.171 3.280 1.00 0.00 O ATOM 496 CB LYS A 403 -5.988 -8.492 2.490 1.00 0.00 C ATOM 497 CG LYS A 403 -6.935 -9.673 2.378 1.00 0.00 C ATOM 498 CD LYS A 403 -7.637 -9.719 1.030 1.00 0.00 C ATOM 499 CE LYS A 403 -8.493 -10.971 0.905 1.00 0.00 C ATOM 500 NZ LYS A 403 -9.288 -10.996 -0.350 1.00 0.00 N ATOM 0 H LYS A 403 -7.379 -7.568 4.364 1.00 0.00 H new ATOM 0 HA LYS A 403 -4.947 -9.182 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -6.501 -7.589 2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -5.144 -8.644 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -6.379 -10.598 2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -7.680 -9.616 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -8.261 -8.834 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -6.897 -9.698 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -7.851 -11.851 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -9.167 -11.033 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -9.853 -11.869 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -9.922 -10.172 -0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -8.646 -10.965 -1.168 1.00 0.00 H new ATOM 514 N GLY A 404 -4.770 -6.119 4.751 1.00 0.00 N ATOM 515 CA GLY A 404 -3.886 -4.978 4.885 1.00 0.00 C ATOM 516 C GLY A 404 -4.241 -3.851 3.936 1.00 0.00 C ATOM 517 O GLY A 404 -3.409 -3.420 3.141 1.00 0.00 O ATOM 0 H GLY A 404 -5.621 -6.068 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 404 -3.926 -4.611 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 404 -2.860 -5.295 4.699 1.00 0.00 H new ATOM 521 N CYS A 405 -5.466 -3.354 4.028 1.00 0.00 N ATOM 522 CA CYS A 405 -5.915 -2.290 3.143 1.00 0.00 C ATOM 523 C CYS A 405 -6.476 -1.143 3.966 1.00 0.00 C ATOM 524 O CYS A 405 -6.887 -1.339 5.110 1.00 0.00 O ATOM 525 CB CYS A 405 -6.973 -2.812 2.162 1.00 0.00 C ATOM 526 SG CYS A 405 -7.435 -1.628 0.853 1.00 0.00 S ATOM 0 H CYS A 405 -6.163 -3.669 4.703 1.00 0.00 H new ATOM 0 HA CYS A 405 -5.064 -1.931 2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 405 -6.600 -3.724 1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 405 -7.868 -3.084 2.722 1.00 0.00 H new ATOM 531 N VAL A 406 -6.473 0.050 3.404 1.00 0.00 N ATOM 532 CA VAL A 406 -6.983 1.213 4.106 1.00 0.00 C ATOM 533 C VAL A 406 -7.669 2.176 3.145 1.00 0.00 C ATOM 534 O VAL A 406 -7.114 2.537 2.105 1.00 0.00 O ATOM 535 CB VAL A 406 -5.852 1.951 4.870 1.00 0.00 C ATOM 536 CG1 VAL A 406 -4.725 2.364 3.932 1.00 0.00 C ATOM 537 CG2 VAL A 406 -6.395 3.165 5.608 1.00 0.00 C ATOM 0 H VAL A 406 -6.124 0.240 2.465 1.00 0.00 H new ATOM 0 HA VAL A 406 -7.716 0.857 4.830 1.00 0.00 H new ATOM 0 HB VAL A 406 -5.445 1.253 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 406 -3.949 2.878 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 406 -4.302 1.478 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 406 -5.117 3.032 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 406 -5.582 3.664 6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 406 -6.842 3.856 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 406 -7.151 2.846 6.326 1.00 0.00 H new ATOM 547 N PHE A 407 -8.892 2.563 3.470 1.00 0.00 N ATOM 548 CA PHE A 407 -9.558 3.603 2.734 1.00 0.00 C ATOM 549 C PHE A 407 -9.110 4.949 3.273 1.00 0.00 C ATOM 550 O PHE A 407 -9.206 5.207 4.472 1.00 0.00 O ATOM 551 CB PHE A 407 -11.070 3.465 2.862 1.00 0.00 C ATOM 552 CG PHE A 407 -11.827 4.413 1.985 1.00 0.00 C ATOM 553 CD1 PHE A 407 -12.076 5.710 2.389 1.00 0.00 C ATOM 554 CD2 PHE A 407 -12.290 4.002 0.756 1.00 0.00 C ATOM 555 CE1 PHE A 407 -12.777 6.578 1.580 1.00 0.00 C ATOM 556 CE2 PHE A 407 -12.990 4.858 -0.061 1.00 0.00 C ATOM 557 CZ PHE A 407 -13.236 6.151 0.348 1.00 0.00 C ATOM 0 H PHE A 407 -9.435 2.168 4.238 1.00 0.00 H new ATOM 0 HA PHE A 407 -9.298 3.522 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 407 -11.357 2.443 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 407 -11.357 3.633 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 407 -11.717 6.048 3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 407 -12.100 2.991 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 407 -12.967 7.589 1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 407 -13.347 4.518 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 407 -13.785 6.827 -0.291 1.00 0.00 H new ATOM 567 N ASN A 408 -8.618 5.798 2.396 1.00 0.00 N ATOM 568 CA ASN A 408 -8.183 7.123 2.799 1.00 0.00 C ATOM 569 C ASN A 408 -9.244 8.130 2.410 1.00 0.00 C ATOM 570 O ASN A 408 -9.412 8.439 1.235 1.00 0.00 O ATOM 571 CB ASN A 408 -6.833 7.485 2.169 1.00 0.00 C ATOM 572 CG ASN A 408 -6.366 8.873 2.569 1.00 0.00 C ATOM 573 OD1 ASN A 408 -6.732 9.385 3.628 1.00 0.00 O ATOM 574 ND2 ASN A 408 -5.546 9.489 1.733 1.00 0.00 N ATOM 0 H ASN A 408 -8.508 5.598 1.402 1.00 0.00 H new ATOM 0 HA ASN A 408 -8.046 7.136 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 408 -6.085 6.751 2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 408 -6.914 7.430 1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 408 -5.195 10.420 1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 408 -5.265 9.033 0.865 1.00 0.00 H new ATOM 581 N THR A 409 -9.969 8.619 3.400 1.00 0.00 N ATOM 582 CA THR A 409 -11.091 9.516 3.166 1.00 0.00 C ATOM 583 C THR A 409 -10.639 10.856 2.590 1.00 0.00 C ATOM 584 O THR A 409 -11.426 11.568 1.964 1.00 0.00 O ATOM 585 CB THR A 409 -11.879 9.731 4.468 1.00 0.00 C ATOM 586 OG1 THR A 409 -10.965 9.835 5.569 1.00 0.00 O ATOM 587 CG2 THR A 409 -12.841 8.580 4.710 1.00 0.00 C ATOM 0 H THR A 409 -9.800 8.408 4.384 1.00 0.00 H new ATOM 0 HA THR A 409 -11.740 9.046 2.427 1.00 0.00 H new ATOM 0 HB THR A 409 -12.456 10.652 4.379 1.00 0.00 H new ATOM 0 HG1 THR A 409 -11.467 9.974 6.399 1.00 0.00 H new ATOM 0 HG21 THR A 409 -13.389 8.752 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 409 -13.544 8.513 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 409 -12.281 7.648 4.787 1.00 0.00 H new ATOM 595 N GLU A 410 -9.367 11.181 2.785 1.00 0.00 N ATOM 596 CA GLU A 410 -8.798 12.401 2.234 1.00 0.00 C ATOM 597 C GLU A 410 -8.796 12.334 0.709 1.00 0.00 C ATOM 598 O GLU A 410 -9.264 13.246 0.033 1.00 0.00 O ATOM 599 CB GLU A 410 -7.374 12.598 2.754 1.00 0.00 C ATOM 600 CG GLU A 410 -6.799 13.976 2.465 1.00 0.00 C ATOM 601 CD GLU A 410 -7.657 15.090 3.028 1.00 0.00 C ATOM 602 OE1 GLU A 410 -8.086 15.965 2.252 1.00 0.00 O ATOM 603 OE2 GLU A 410 -7.921 15.086 4.249 1.00 0.00 O ATOM 0 H GLU A 410 -8.710 10.615 3.322 1.00 0.00 H new ATOM 0 HA GLU A 410 -9.407 13.248 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.364 12.429 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.727 11.844 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -5.797 14.044 2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.700 14.107 1.387 1.00 0.00 H new ATOM 610 N SER A 411 -8.272 11.240 0.175 1.00 0.00 N ATOM 611 CA SER A 411 -8.238 11.031 -1.265 1.00 0.00 C ATOM 612 C SER A 411 -9.551 10.416 -1.740 1.00 0.00 C ATOM 613 O SER A 411 -9.853 10.399 -2.934 1.00 0.00 O ATOM 614 CB SER A 411 -7.077 10.107 -1.623 1.00 0.00 C ATOM 615 OG SER A 411 -5.878 10.547 -1.013 1.00 0.00 O ATOM 0 H SER A 411 -7.863 10.481 0.720 1.00 0.00 H new ATOM 0 HA SER A 411 -8.101 11.993 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 411 -7.303 9.090 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 411 -6.950 10.077 -2.705 1.00 0.00 H new ATOM 0 HG SER A 411 -5.147 9.940 -1.254 1.00 0.00 H new ATOM 621 N ASN A 412 -10.311 9.905 -0.776 1.00 0.00 N ATOM 622 CA ASN A 412 -11.591 9.246 -1.020 1.00 0.00 C ATOM 623 C ASN A 412 -11.398 8.009 -1.895 1.00 0.00 C ATOM 624 O ASN A 412 -12.183 7.739 -2.805 1.00 0.00 O ATOM 625 CB ASN A 412 -12.596 10.212 -1.657 1.00 0.00 C ATOM 626 CG ASN A 412 -14.038 9.784 -1.435 1.00 0.00 C ATOM 627 OD1 ASN A 412 -14.663 10.156 -0.440 1.00 0.00 O ATOM 628 ND2 ASN A 412 -14.571 8.992 -2.351 1.00 0.00 N ATOM 0 H ASN A 412 -10.052 9.937 0.210 1.00 0.00 H new ATOM 0 HA ASN A 412 -11.997 8.928 -0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 412 -12.449 11.209 -1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 412 -12.401 10.280 -2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 412 -15.532 8.667 -2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 412 -14.021 8.706 -3.161 1.00 0.00 H new ATOM 635 N LYS A 413 -10.341 7.263 -1.610 1.00 0.00 N ATOM 636 CA LYS A 413 -10.082 6.007 -2.297 1.00 0.00 C ATOM 637 C LYS A 413 -9.294 5.065 -1.399 1.00 0.00 C ATOM 638 O LYS A 413 -8.611 5.502 -0.466 1.00 0.00 O ATOM 639 CB LYS A 413 -9.326 6.230 -3.612 1.00 0.00 C ATOM 640 CG LYS A 413 -7.964 6.884 -3.445 1.00 0.00 C ATOM 641 CD LYS A 413 -7.169 6.834 -4.740 1.00 0.00 C ATOM 642 CE LYS A 413 -5.871 7.618 -4.637 1.00 0.00 C ATOM 643 NZ LYS A 413 -4.962 7.069 -3.600 1.00 0.00 N ATOM 0 H LYS A 413 -9.646 7.507 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 413 -11.046 5.556 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -9.197 5.270 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -9.936 6.850 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -8.091 7.921 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -7.409 6.379 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -6.948 5.797 -4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -7.773 7.237 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.365 7.608 -5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -6.095 8.659 -4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -4.129 7.685 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -5.462 7.023 -2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.657 6.114 -3.876 1.00 0.00 H new ATOM 657 N CYS A 414 -9.414 3.776 -1.664 1.00 0.00 N ATOM 658 CA CYS A 414 -8.688 2.767 -0.918 1.00 0.00 C ATOM 659 C CYS A 414 -7.268 2.626 -1.452 1.00 0.00 C ATOM 660 O CYS A 414 -7.039 2.702 -2.660 1.00 0.00 O ATOM 661 CB CYS A 414 -9.411 1.432 -1.024 1.00 0.00 C ATOM 662 SG CYS A 414 -11.209 1.561 -0.800 1.00 0.00 S ATOM 0 H CYS A 414 -10.015 3.402 -2.399 1.00 0.00 H new ATOM 0 HA CYS A 414 -8.639 3.073 0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 414 -9.205 0.993 -2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 414 -9.008 0.749 -0.276 1.00 0.00 H new ATOM 667 N GLU A 415 -6.325 2.421 -0.550 1.00 0.00 N ATOM 668 CA GLU A 415 -4.934 2.240 -0.920 1.00 0.00 C ATOM 669 C GLU A 415 -4.312 1.177 -0.022 1.00 0.00 C ATOM 670 O GLU A 415 -4.924 0.766 0.969 1.00 0.00 O ATOM 671 CB GLU A 415 -4.177 3.563 -0.776 1.00 0.00 C ATOM 672 CG GLU A 415 -2.982 3.688 -1.707 1.00 0.00 C ATOM 673 CD GLU A 415 -3.391 3.766 -3.164 1.00 0.00 C ATOM 674 OE1 GLU A 415 -3.561 4.898 -3.671 1.00 0.00 O ATOM 675 OE2 GLU A 415 -3.548 2.709 -3.800 1.00 0.00 O ATOM 0 H GLU A 415 -6.501 2.376 0.454 1.00 0.00 H new ATOM 0 HA GLU A 415 -4.872 1.917 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -4.864 4.387 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -3.836 3.666 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -2.412 4.579 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -2.322 2.833 -1.563 1.00 0.00 H new ATOM 682 N LEU A 416 -3.119 0.718 -0.371 1.00 0.00 N ATOM 683 CA LEU A 416 -2.414 -0.246 0.455 1.00 0.00 C ATOM 684 C LEU A 416 -2.064 0.368 1.810 1.00 0.00 C ATOM 685 O LEU A 416 -1.626 1.515 1.896 1.00 0.00 O ATOM 686 CB LEU A 416 -1.151 -0.744 -0.249 1.00 0.00 C ATOM 687 CG LEU A 416 -0.383 -1.839 0.494 1.00 0.00 C ATOM 688 CD1 LEU A 416 -1.307 -2.994 0.840 1.00 0.00 C ATOM 689 CD2 LEU A 416 0.782 -2.337 -0.342 1.00 0.00 C ATOM 0 H LEU A 416 -2.622 0.997 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 416 -3.071 -1.100 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 416 -1.427 -1.120 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 416 -0.484 0.103 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 416 0.009 -1.413 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 416 -0.745 -3.764 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 416 -2.116 -2.635 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 416 -1.724 -3.413 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 416 1.315 -3.115 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 416 0.408 -2.744 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 416 1.461 -1.510 -0.550 1.00 0.00 H new ATOM 723 N LYS A 418 0.272 -0.184 3.641 1.00 0.00 N ATOM 724 CA LYS A 418 1.716 -0.002 3.766 1.00 0.00 C ATOM 725 C LYS A 418 2.037 1.425 4.176 1.00 0.00 C ATOM 726 O LYS A 418 2.808 1.671 5.102 1.00 0.00 O ATOM 727 CB LYS A 418 2.388 -0.287 2.424 1.00 0.00 C ATOM 728 CG LYS A 418 3.878 -0.009 2.425 1.00 0.00 C ATOM 729 CD LYS A 418 4.663 -1.198 2.937 1.00 0.00 C ATOM 730 CE LYS A 418 4.713 -2.299 1.893 1.00 0.00 C ATOM 731 NZ LYS A 418 5.310 -1.811 0.623 1.00 0.00 N ATOM 0 HA LYS A 418 2.085 -0.690 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 418 2.221 -1.330 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 418 1.913 0.319 1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 418 4.204 0.236 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 418 4.087 0.861 3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 418 5.676 -0.888 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 418 4.204 -1.577 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 418 5.296 -3.138 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 418 3.706 -2.671 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 5.748 -2.607 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 4.567 -1.390 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 6.034 -1.094 0.833 1.00 0.00 H new ATOM 745 N ASP A 419 1.383 2.336 3.488 1.00 0.00 N ATOM 746 CA ASP A 419 1.609 3.774 3.634 1.00 0.00 C ATOM 747 C ASP A 419 1.415 4.210 5.079 1.00 0.00 C ATOM 748 O ASP A 419 2.244 4.920 5.655 1.00 0.00 O ATOM 749 CB ASP A 419 0.641 4.531 2.713 1.00 0.00 C ATOM 750 CG ASP A 419 0.777 6.041 2.797 1.00 0.00 C ATOM 751 OD1 ASP A 419 1.603 6.616 2.058 1.00 0.00 O ATOM 752 OD2 ASP A 419 0.039 6.671 3.584 1.00 0.00 O ATOM 0 H ASP A 419 0.667 2.104 2.799 1.00 0.00 H new ATOM 0 HA ASP A 419 2.637 4.003 3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 419 0.811 4.216 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 419 -0.382 4.252 2.967 1.00 0.00 H new ATOM 757 N VAL A 420 0.328 3.743 5.666 1.00 0.00 N ATOM 758 CA VAL A 420 -0.018 4.077 7.034 1.00 0.00 C ATOM 759 C VAL A 420 1.026 3.534 8.008 1.00 0.00 C ATOM 760 O VAL A 420 1.488 4.248 8.897 1.00 0.00 O ATOM 761 CB VAL A 420 -1.409 3.513 7.397 1.00 0.00 C ATOM 762 CG1 VAL A 420 -1.776 3.845 8.835 1.00 0.00 C ATOM 763 CG2 VAL A 420 -2.468 4.047 6.444 1.00 0.00 C ATOM 0 H VAL A 420 -0.339 3.122 5.208 1.00 0.00 H new ATOM 0 HA VAL A 420 -0.042 5.164 7.115 1.00 0.00 H new ATOM 0 HB VAL A 420 -1.367 2.428 7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 420 -2.760 3.436 9.063 1.00 0.00 H new ATOM 0 HG12 VAL A 420 -1.037 3.411 9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 420 -1.794 4.927 8.965 1.00 0.00 H new ATOM 0 HG21 VAL A 420 -3.441 3.638 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 420 -2.500 5.135 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 420 -2.222 3.751 5.424 1.00 0.00 H new ATOM 773 N LYS A 421 1.421 2.280 7.815 1.00 0.00 N ATOM 774 CA LYS A 421 2.329 1.623 8.748 1.00 0.00 C ATOM 775 C LYS A 421 3.749 2.163 8.626 1.00 0.00 C ATOM 776 O LYS A 421 4.432 2.368 9.633 1.00 0.00 O ATOM 777 CB LYS A 421 2.329 0.106 8.533 1.00 0.00 C ATOM 778 CG LYS A 421 3.192 -0.639 9.539 1.00 0.00 C ATOM 779 CD LYS A 421 3.122 -2.143 9.346 1.00 0.00 C ATOM 780 CE LYS A 421 3.899 -2.871 10.431 1.00 0.00 C ATOM 781 NZ LYS A 421 3.820 -4.348 10.282 1.00 0.00 N ATOM 0 H LYS A 421 1.129 1.702 7.027 1.00 0.00 H new ATOM 0 HA LYS A 421 1.968 1.840 9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 421 1.306 -0.264 8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 421 2.685 -0.112 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 421 4.226 -0.309 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 421 2.869 -0.388 10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 421 2.081 -2.467 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 421 3.524 -2.406 8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 421 4.943 -2.559 10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 421 3.510 -2.585 11.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 4.364 -4.803 11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 2.826 -4.650 10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 4.215 -4.626 9.361 1.00 0.00 H new ATOM 795 N GLU A 422 4.184 2.412 7.401 1.00 0.00 N ATOM 796 CA GLU A 422 5.559 2.839 7.161 1.00 0.00 C ATOM 797 C GLU A 422 5.789 4.262 7.665 1.00 0.00 C ATOM 798 O GLU A 422 6.922 4.646 7.959 1.00 0.00 O ATOM 799 CB GLU A 422 5.929 2.731 5.676 1.00 0.00 C ATOM 800 CG GLU A 422 5.197 3.708 4.775 1.00 0.00 C ATOM 801 CD GLU A 422 5.635 3.597 3.332 1.00 0.00 C ATOM 802 OE1 GLU A 422 4.890 3.015 2.521 1.00 0.00 O ATOM 803 OE2 GLU A 422 6.733 4.092 3.001 1.00 0.00 O ATOM 0 H GLU A 422 3.612 2.327 6.561 1.00 0.00 H new ATOM 0 HA GLU A 422 6.209 2.167 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 422 7.002 2.891 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 422 5.722 1.716 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 422 4.124 3.527 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 422 5.371 4.725 5.128 1.00 0.00 H new ATOM 810 N LYS A 423 4.725 5.052 7.763 1.00 0.00 N ATOM 811 CA LYS A 423 4.835 6.386 8.340 1.00 0.00 C ATOM 812 C LYS A 423 4.392 6.399 9.799 1.00 0.00 C ATOM 813 O LYS A 423 4.543 7.403 10.493 1.00 0.00 O ATOM 814 CB LYS A 423 4.050 7.401 7.516 1.00 0.00 C ATOM 815 CG LYS A 423 4.852 7.939 6.343 1.00 0.00 C ATOM 816 CD LYS A 423 4.006 8.781 5.408 1.00 0.00 C ATOM 817 CE LYS A 423 3.042 7.917 4.618 1.00 0.00 C ATOM 818 NZ LYS A 423 2.327 8.696 3.580 1.00 0.00 N ATOM 0 H LYS A 423 3.787 4.796 7.454 1.00 0.00 H new ATOM 0 HA LYS A 423 5.886 6.674 8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 423 3.137 6.936 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 423 3.748 8.229 8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 423 5.682 8.538 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 423 5.284 7.106 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 423 3.449 9.521 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 423 4.652 9.330 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 423 3.589 7.100 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 423 2.318 7.466 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 2.217 8.115 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 1.389 8.969 3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 2.872 9.551 3.351 1.00 0.00 H new ATOM 832 N LEU A 424 3.857 5.277 10.262 1.00 0.00 N ATOM 833 CA LEU A 424 3.558 5.107 11.674 1.00 0.00 C ATOM 834 C LEU A 424 4.865 4.854 12.418 1.00 0.00 C ATOM 835 O LEU A 424 5.180 5.530 13.399 1.00 0.00 O ATOM 836 CB LEU A 424 2.563 3.947 11.872 1.00 0.00 C ATOM 837 CG LEU A 424 1.917 3.818 13.262 1.00 0.00 C ATOM 838 CD1 LEU A 424 2.879 3.202 14.267 1.00 0.00 C ATOM 839 CD2 LEU A 424 1.428 5.172 13.752 1.00 0.00 C ATOM 0 H LEU A 424 3.622 4.473 9.680 1.00 0.00 H new ATOM 0 HA LEU A 424 3.090 6.007 12.073 1.00 0.00 H new ATOM 0 HB2 LEU A 424 1.766 4.053 11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 424 3.080 3.014 11.650 1.00 0.00 H new ATOM 0 HG LEU A 424 1.060 3.150 13.169 1.00 0.00 H new ATOM 0 HD11 LEU A 424 2.391 3.125 15.238 1.00 0.00 H new ATOM 0 HD12 LEU A 424 3.172 2.208 13.929 1.00 0.00 H new ATOM 0 HD13 LEU A 424 3.765 3.831 14.355 1.00 0.00 H new ATOM 0 HD21 LEU A 424 0.974 5.060 14.737 1.00 0.00 H new ATOM 0 HD22 LEU A 424 2.270 5.861 13.817 1.00 0.00 H new ATOM 0 HD23 LEU A 424 0.689 5.566 13.054 1.00 0.00 H new ATOM 851 N GLU A 425 5.637 3.893 11.922 1.00 0.00 N ATOM 852 CA GLU A 425 6.953 3.603 12.480 1.00 0.00 C ATOM 853 C GLU A 425 7.989 4.569 11.898 1.00 0.00 C ATOM 854 O GLU A 425 9.054 4.784 12.479 1.00 0.00 O ATOM 855 CB GLU A 425 7.337 2.146 12.201 1.00 0.00 C ATOM 856 CG GLU A 425 8.609 1.703 12.904 1.00 0.00 C ATOM 857 CD GLU A 425 8.811 0.206 12.848 1.00 0.00 C ATOM 858 OE1 GLU A 425 8.383 -0.487 13.796 1.00 0.00 O ATOM 859 OE2 GLU A 425 9.392 -0.284 11.861 1.00 0.00 O ATOM 0 H GLU A 425 5.374 3.301 11.134 1.00 0.00 H new ATOM 0 HA GLU A 425 6.925 3.742 13.561 1.00 0.00 H new ATOM 0 HB2 GLU A 425 6.517 1.498 12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 425 7.461 2.012 11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 425 9.465 2.199 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 425 8.575 2.023 13.945 1.00 0.00 H new