USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 398 TYR OH : rot 106:sc= 0.969 USER MOD Set 1.2: A 409 HIS : no HD1:sc= 0.0167 K(o=0.99,f=-4.7!) USER MOD Set 2.1: A 393 SER OG : rot 92:sc= 1.51 USER MOD Set 2.2: A 410 TYR OH : rot 15:sc= 0.518 USER MOD Single : A 389 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0339) USER MOD Single : A 390 ASN : amide:sc= 0.243 K(o=0.24,f=-1.3) USER MOD Single : A 397 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0302) USER MOD Single : A 402 ASN : amide:sc= 0.891 K(o=0.89,f=-0.023) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0125) USER MOD Single : A 411 LYS NZ :NH3+ -136:sc= -0.298 (180deg=-1.65) USER MOD Single : A 413 ASN : amide:sc= 0.205 K(o=0.21,f=-0.95) USER MOD Single : A 414 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 416 THR OG1 : rot -170:sc= 0.247 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl -163:sc= -0.312 (180deg=-0.816) USER MOD Single : A 421 LYS NZ :NH3+ -159:sc= 1.21 (180deg=1.17) USER MOD Single : A 426 THR OG1 : rot 74:sc= 1 USER MOD Single : A 427 MET CE :methyl -172:sc=-0.00193 (180deg=-0.107) USER MOD Single : A 428 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.13) USER MOD Single : A 429 LYS NZ :NH3+ -152:sc= 1.24 (180deg=0.648) USER MOD ----------------------------------------------------------------- ATOM 186 N TRP A 383 -23.922 3.454 -0.106 1.00 0.00 N ATOM 187 CA TRP A 383 -23.087 2.914 -1.167 1.00 0.00 C ATOM 188 C TRP A 383 -23.120 1.384 -1.267 1.00 0.00 C ATOM 189 O TRP A 383 -23.662 0.700 -0.401 1.00 0.00 O ATOM 190 CB TRP A 383 -21.665 3.467 -1.026 1.00 0.00 C ATOM 191 CG TRP A 383 -21.454 4.860 -1.534 1.00 0.00 C ATOM 192 CD1 TRP A 383 -22.278 5.925 -1.405 1.00 0.00 C ATOM 193 CD2 TRP A 383 -20.310 5.346 -2.276 1.00 0.00 C ATOM 194 NE1 TRP A 383 -21.723 7.029 -2.021 1.00 0.00 N ATOM 195 CE2 TRP A 383 -20.497 6.724 -2.580 1.00 0.00 C ATOM 196 CE3 TRP A 383 -19.126 4.738 -2.720 1.00 0.00 C ATOM 197 CZ2 TRP A 383 -19.545 7.463 -3.300 1.00 0.00 C ATOM 198 CZ3 TRP A 383 -18.167 5.466 -3.440 1.00 0.00 C ATOM 199 CH2 TRP A 383 -18.373 6.824 -3.734 1.00 0.00 C ATOM 0 HA TRP A 383 -23.504 3.247 -2.117 1.00 0.00 H new ATOM 0 HB2 TRP A 383 -21.387 3.439 0.028 1.00 0.00 H new ATOM 0 HB3 TRP A 383 -20.982 2.801 -1.554 1.00 0.00 H new ATOM 0 HD1 TRP A 383 -23.230 5.913 -0.895 1.00 0.00 H new ATOM 0 HE1 TRP A 383 -22.161 7.949 -2.058 1.00 0.00 H new ATOM 0 HE3 TRP A 383 -18.950 3.694 -2.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 -19.712 8.508 -3.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 -17.262 4.978 -3.771 1.00 0.00 H new ATOM 0 HH2 TRP A 383 -17.631 7.375 -4.293 1.00 0.00 H new ATOM 210 N LEU A 384 -22.530 0.850 -2.343 1.00 0.00 N ATOM 211 CA LEU A 384 -22.437 -0.581 -2.606 1.00 0.00 C ATOM 212 C LEU A 384 -20.980 -1.028 -2.459 1.00 0.00 C ATOM 213 O LEU A 384 -20.058 -0.218 -2.550 1.00 0.00 O ATOM 214 CB LEU A 384 -22.954 -0.906 -4.014 1.00 0.00 C ATOM 215 CG LEU A 384 -24.359 -0.356 -4.316 1.00 0.00 C ATOM 216 CD1 LEU A 384 -24.705 -0.649 -5.779 1.00 0.00 C ATOM 217 CD2 LEU A 384 -25.422 -0.978 -3.404 1.00 0.00 C ATOM 0 H LEU A 384 -22.095 1.419 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 384 -23.055 -1.117 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -22.254 -0.504 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 384 -22.965 -1.988 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 384 -24.352 0.718 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -25.699 -0.263 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -23.974 -0.168 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -24.688 -1.726 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -26.400 -0.563 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -25.439 -2.058 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -25.184 -0.756 -2.364 1.00 0.00 H new ATOM 229 N TRP A 385 -20.775 -2.331 -2.236 1.00 0.00 N ATOM 230 CA TRP A 385 -19.455 -2.925 -2.076 1.00 0.00 C ATOM 231 C TRP A 385 -18.554 -2.623 -3.278 1.00 0.00 C ATOM 232 O TRP A 385 -17.376 -2.309 -3.106 1.00 0.00 O ATOM 233 CB TRP A 385 -19.596 -4.436 -1.842 1.00 0.00 C ATOM 234 CG TRP A 385 -20.210 -5.211 -2.970 1.00 0.00 C ATOM 235 CD1 TRP A 385 -21.521 -5.509 -3.103 1.00 0.00 C ATOM 236 CD2 TRP A 385 -19.552 -5.790 -4.138 1.00 0.00 C ATOM 237 NE1 TRP A 385 -21.726 -6.225 -4.264 1.00 0.00 N ATOM 238 CE2 TRP A 385 -20.541 -6.426 -4.944 1.00 0.00 C ATOM 239 CE3 TRP A 385 -18.219 -5.837 -4.603 1.00 0.00 C ATOM 240 CZ2 TRP A 385 -20.226 -7.075 -6.146 1.00 0.00 C ATOM 241 CZ3 TRP A 385 -17.892 -6.485 -5.807 1.00 0.00 C ATOM 242 CH2 TRP A 385 -18.891 -7.103 -6.579 1.00 0.00 C ATOM 0 H TRP A 385 -21.536 -3.007 -2.162 1.00 0.00 H new ATOM 0 HA TRP A 385 -18.974 -2.480 -1.205 1.00 0.00 H new ATOM 0 HB2 TRP A 385 -18.608 -4.848 -1.637 1.00 0.00 H new ATOM 0 HB3 TRP A 385 -20.198 -4.593 -0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 385 -22.294 -5.228 -2.403 1.00 0.00 H new ATOM 0 HE1 TRP A 385 -22.635 -6.562 -4.580 1.00 0.00 H new ATOM 0 HE3 TRP A 385 -17.438 -5.367 -4.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 -21.001 -7.548 -6.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 -16.865 -6.508 -6.141 1.00 0.00 H new ATOM 0 HH2 TRP A 385 -18.632 -7.598 -7.503 1.00 0.00 H new ATOM 253 N GLU A 386 -19.104 -2.718 -4.495 1.00 0.00 N ATOM 254 CA GLU A 386 -18.339 -2.463 -5.704 1.00 0.00 C ATOM 255 C GLU A 386 -17.924 -0.992 -5.763 1.00 0.00 C ATOM 256 O GLU A 386 -16.798 -0.700 -6.149 1.00 0.00 O ATOM 257 CB GLU A 386 -19.063 -3.008 -6.947 1.00 0.00 C ATOM 258 CG GLU A 386 -20.161 -2.114 -7.537 1.00 0.00 C ATOM 259 CD GLU A 386 -19.606 -1.062 -8.497 1.00 0.00 C ATOM 260 OE1 GLU A 386 -18.859 -1.456 -9.423 1.00 0.00 O ATOM 261 OE2 GLU A 386 -19.929 0.126 -8.294 1.00 0.00 O ATOM 0 H GLU A 386 -20.078 -2.971 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 386 -17.402 -3.020 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -18.320 -3.195 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -19.506 -3.971 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -20.887 -2.734 -8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -20.694 -1.617 -6.727 1.00 0.00 H new ATOM 268 N GLU A 387 -18.805 -0.072 -5.348 1.00 0.00 N ATOM 269 CA GLU A 387 -18.501 1.351 -5.318 1.00 0.00 C ATOM 270 C GLU A 387 -17.346 1.608 -4.352 1.00 0.00 C ATOM 271 O GLU A 387 -16.403 2.322 -4.692 1.00 0.00 O ATOM 272 CB GLU A 387 -19.731 2.163 -4.907 1.00 0.00 C ATOM 273 CG GLU A 387 -20.869 2.035 -5.915 1.00 0.00 C ATOM 274 CD GLU A 387 -22.000 2.981 -5.556 1.00 0.00 C ATOM 275 OE1 GLU A 387 -22.556 2.852 -4.443 1.00 0.00 O ATOM 276 OE2 GLU A 387 -22.292 3.847 -6.406 1.00 0.00 O ATOM 0 H GLU A 387 -19.745 -0.300 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 387 -18.209 1.668 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -20.075 1.828 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -19.454 3.212 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -20.503 2.259 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -21.236 1.009 -5.931 1.00 0.00 H new ATOM 283 N ASP A 388 -17.409 1.019 -3.151 1.00 0.00 N ATOM 284 CA ASP A 388 -16.358 1.164 -2.152 1.00 0.00 C ATOM 285 C ASP A 388 -15.025 0.670 -2.732 1.00 0.00 C ATOM 286 O ASP A 388 -14.004 1.344 -2.605 1.00 0.00 O ATOM 287 CB ASP A 388 -16.719 0.404 -0.870 1.00 0.00 C ATOM 288 CG ASP A 388 -17.973 0.934 -0.182 1.00 0.00 C ATOM 289 OD1 ASP A 388 -18.052 2.163 0.041 1.00 0.00 O ATOM 290 OD2 ASP A 388 -18.829 0.092 0.167 1.00 0.00 O ATOM 0 H ASP A 388 -18.188 0.433 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 388 -16.256 2.217 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -16.863 -0.649 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -15.881 0.461 -0.175 1.00 0.00 H new ATOM 295 N LYS A 389 -15.033 -0.500 -3.384 1.00 0.00 N ATOM 296 CA LYS A 389 -13.854 -1.084 -4.014 1.00 0.00 C ATOM 297 C LYS A 389 -13.312 -0.154 -5.108 1.00 0.00 C ATOM 298 O LYS A 389 -12.106 0.085 -5.189 1.00 0.00 O ATOM 299 CB LYS A 389 -14.224 -2.467 -4.569 1.00 0.00 C ATOM 300 CG LYS A 389 -13.066 -3.134 -5.322 1.00 0.00 C ATOM 301 CD LYS A 389 -13.498 -4.525 -5.806 1.00 0.00 C ATOM 302 CE LYS A 389 -12.393 -5.229 -6.606 1.00 0.00 C ATOM 303 NZ LYS A 389 -12.109 -4.551 -7.885 1.00 0.00 N ATOM 0 H LYS A 389 -15.872 -1.071 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 389 -13.058 -1.205 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -14.536 -3.112 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -15.078 -2.368 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -12.769 -2.519 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -12.196 -3.219 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -13.770 -5.139 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -14.390 -4.432 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -11.483 -5.267 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -12.690 -6.259 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -11.444 -5.125 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -12.994 -4.431 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -11.688 -3.618 -7.698 1.00 0.00 H new ATOM 317 N ASN A 390 -14.207 0.369 -5.951 1.00 0.00 N ATOM 318 CA ASN A 390 -13.875 1.276 -7.040 1.00 0.00 C ATOM 319 C ASN A 390 -13.216 2.534 -6.480 1.00 0.00 C ATOM 320 O ASN A 390 -12.243 3.023 -7.046 1.00 0.00 O ATOM 321 CB ASN A 390 -15.133 1.640 -7.843 1.00 0.00 C ATOM 322 CG ASN A 390 -15.730 0.462 -8.610 1.00 0.00 C ATOM 323 OD1 ASN A 390 -15.069 -0.552 -8.830 1.00 0.00 O ATOM 324 ND2 ASN A 390 -16.992 0.593 -9.016 1.00 0.00 N ATOM 0 H ASN A 390 -15.204 0.165 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 390 -13.176 0.779 -7.713 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -15.885 2.039 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -14.887 2.435 -8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -17.444 -0.164 -9.529 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -17.506 1.450 -8.814 1.00 0.00 H new ATOM 331 N LEU A 391 -13.736 3.051 -5.362 1.00 0.00 N ATOM 332 CA LEU A 391 -13.214 4.233 -4.697 1.00 0.00 C ATOM 333 C LEU A 391 -11.825 3.943 -4.132 1.00 0.00 C ATOM 334 O LEU A 391 -10.906 4.732 -4.341 1.00 0.00 O ATOM 335 CB LEU A 391 -14.196 4.668 -3.607 1.00 0.00 C ATOM 336 CG LEU A 391 -13.796 5.948 -2.859 1.00 0.00 C ATOM 337 CD1 LEU A 391 -13.792 7.171 -3.783 1.00 0.00 C ATOM 338 CD2 LEU A 391 -14.798 6.170 -1.722 1.00 0.00 C ATOM 0 H LEU A 391 -14.546 2.647 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 391 -13.110 5.052 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 391 -15.176 4.818 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 391 -14.299 3.858 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 391 -12.784 5.827 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 391 -13.504 8.055 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 391 -13.080 7.012 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 391 -14.789 7.316 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -14.534 7.075 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -15.801 6.276 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -14.774 5.317 -1.044 1.00 0.00 H new ATOM 350 N ARG A 392 -11.673 2.811 -3.432 1.00 0.00 N ATOM 351 CA ARG A 392 -10.407 2.381 -2.852 1.00 0.00 C ATOM 352 C ARG A 392 -9.356 2.369 -3.959 1.00 0.00 C ATOM 353 O ARG A 392 -8.369 3.101 -3.893 1.00 0.00 O ATOM 354 CB ARG A 392 -10.579 0.990 -2.206 1.00 0.00 C ATOM 355 CG ARG A 392 -9.405 0.514 -1.334 1.00 0.00 C ATOM 356 CD ARG A 392 -8.044 0.481 -2.057 1.00 0.00 C ATOM 357 NE ARG A 392 -7.029 -0.368 -1.413 1.00 0.00 N ATOM 358 CZ ARG A 392 -6.616 -0.321 -0.137 1.00 0.00 C ATOM 359 NH1 ARG A 392 -7.069 0.591 0.728 1.00 0.00 N ATOM 360 NH2 ARG A 392 -5.718 -1.213 0.281 1.00 0.00 N ATOM 0 H ARG A 392 -12.441 2.163 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 392 -10.082 3.065 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 392 -11.481 1.002 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 392 -10.740 0.259 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 392 -9.325 1.168 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 392 -9.628 -0.485 -0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 392 -8.198 0.130 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 392 -7.658 1.498 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 392 -6.589 -1.073 -2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 392 -7.753 1.284 0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 392 -6.730 0.594 1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 392 -5.357 -1.915 -0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 392 -5.392 -1.194 1.247 1.00 0.00 H new ATOM 374 N SER A 393 -9.576 1.536 -4.981 1.00 0.00 N ATOM 375 CA SER A 393 -8.667 1.411 -6.108 1.00 0.00 C ATOM 376 C SER A 393 -8.508 2.749 -6.840 1.00 0.00 C ATOM 377 O SER A 393 -7.431 3.044 -7.351 1.00 0.00 O ATOM 378 CB SER A 393 -9.101 0.258 -7.016 1.00 0.00 C ATOM 379 OG SER A 393 -10.405 0.459 -7.517 1.00 0.00 O ATOM 0 H SER A 393 -10.394 0.930 -5.043 1.00 0.00 H new ATOM 0 HA SER A 393 -7.672 1.157 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 393 -8.401 0.164 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 393 -9.064 -0.679 -6.460 1.00 0.00 H new ATOM 0 HG SER A 393 -10.357 0.926 -8.377 1.00 0.00 H new ATOM 385 N GLY A 394 -9.564 3.568 -6.871 1.00 0.00 N ATOM 386 CA GLY A 394 -9.557 4.881 -7.489 1.00 0.00 C ATOM 387 C GLY A 394 -8.511 5.772 -6.829 1.00 0.00 C ATOM 388 O GLY A 394 -7.665 6.340 -7.511 1.00 0.00 O ATOM 0 H GLY A 394 -10.463 3.323 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 394 -9.345 4.788 -8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 394 -10.543 5.338 -7.399 1.00 0.00 H new ATOM 392 N VAL A 395 -8.544 5.887 -5.499 1.00 0.00 N ATOM 393 CA VAL A 395 -7.573 6.688 -4.770 1.00 0.00 C ATOM 394 C VAL A 395 -6.192 6.027 -4.873 1.00 0.00 C ATOM 395 O VAL A 395 -5.188 6.717 -5.018 1.00 0.00 O ATOM 396 CB VAL A 395 -8.041 6.913 -3.322 1.00 0.00 C ATOM 397 CG1 VAL A 395 -6.973 7.667 -2.521 1.00 0.00 C ATOM 398 CG2 VAL A 395 -9.331 7.745 -3.314 1.00 0.00 C ATOM 0 H VAL A 395 -9.239 5.431 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 395 -7.488 7.680 -5.213 1.00 0.00 H new ATOM 0 HB VAL A 395 -8.217 5.938 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -7.322 7.817 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -6.051 7.086 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -6.786 8.635 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -9.657 7.901 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -9.145 8.710 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -10.109 7.216 -3.865 1.00 0.00 H new ATOM 408 N ARG A 396 -6.126 4.695 -4.817 1.00 0.00 N ATOM 409 CA ARG A 396 -4.874 3.956 -4.924 1.00 0.00 C ATOM 410 C ARG A 396 -4.163 4.239 -6.257 1.00 0.00 C ATOM 411 O ARG A 396 -2.940 4.363 -6.286 1.00 0.00 O ATOM 412 CB ARG A 396 -5.186 2.459 -4.784 1.00 0.00 C ATOM 413 CG ARG A 396 -3.978 1.532 -4.595 1.00 0.00 C ATOM 414 CD ARG A 396 -3.333 1.677 -3.214 1.00 0.00 C ATOM 415 NE ARG A 396 -2.557 0.474 -2.867 1.00 0.00 N ATOM 416 CZ ARG A 396 -1.624 0.394 -1.905 1.00 0.00 C ATOM 417 NH1 ARG A 396 -1.300 1.462 -1.166 1.00 0.00 N ATOM 418 NH2 ARG A 396 -1.025 -0.775 -1.681 1.00 0.00 N ATOM 0 H ARG A 396 -6.945 4.100 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 396 -4.198 4.276 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 396 -5.856 2.326 -3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 396 -5.729 2.137 -5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 396 -4.293 0.498 -4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 396 -3.235 1.748 -5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 396 -2.681 2.551 -3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 396 -4.105 1.845 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 396 -2.745 -0.372 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 396 -1.764 2.355 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 396 -0.589 1.383 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 396 -1.277 -1.592 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 396 -0.314 -0.853 -0.954 1.00 0.00 H new ATOM 432 N LYS A 397 -4.925 4.312 -7.358 1.00 0.00 N ATOM 433 CA LYS A 397 -4.420 4.506 -8.712 1.00 0.00 C ATOM 434 C LYS A 397 -4.282 5.965 -9.166 1.00 0.00 C ATOM 435 O LYS A 397 -3.338 6.271 -9.892 1.00 0.00 O ATOM 436 CB LYS A 397 -5.285 3.681 -9.675 1.00 0.00 C ATOM 437 CG LYS A 397 -4.670 3.631 -11.080 1.00 0.00 C ATOM 438 CD LYS A 397 -5.367 2.570 -11.941 1.00 0.00 C ATOM 439 CE LYS A 397 -4.823 2.562 -13.376 1.00 0.00 C ATOM 440 NZ LYS A 397 -3.406 2.158 -13.435 1.00 0.00 N ATOM 0 H LYS A 397 -5.941 4.234 -7.322 1.00 0.00 H new ATOM 0 HA LYS A 397 -3.389 4.153 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 397 -5.396 2.668 -9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -6.284 4.113 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -4.758 4.608 -11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -3.606 3.406 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -5.227 1.587 -11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -6.440 2.762 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -5.418 1.881 -13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -4.934 3.556 -13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -3.111 2.069 -14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -2.820 2.876 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -3.286 1.243 -12.955 1.00 0.00 H new ATOM 454 N TYR A 398 -5.213 6.850 -8.789 1.00 0.00 N ATOM 455 CA TYR A 398 -5.230 8.252 -9.216 1.00 0.00 C ATOM 456 C TYR A 398 -5.123 9.264 -8.076 1.00 0.00 C ATOM 457 O TYR A 398 -4.943 10.451 -8.347 1.00 0.00 O ATOM 458 CB TYR A 398 -6.512 8.514 -10.019 1.00 0.00 C ATOM 459 CG TYR A 398 -6.710 7.553 -11.174 1.00 0.00 C ATOM 460 CD1 TYR A 398 -7.390 6.342 -10.963 1.00 0.00 C ATOM 461 CD2 TYR A 398 -6.208 7.860 -12.452 1.00 0.00 C ATOM 462 CE1 TYR A 398 -7.567 5.439 -12.019 1.00 0.00 C ATOM 463 CE2 TYR A 398 -6.391 6.956 -13.513 1.00 0.00 C ATOM 464 CZ TYR A 398 -7.071 5.746 -13.295 1.00 0.00 C ATOM 465 OH TYR A 398 -7.248 4.870 -14.326 1.00 0.00 O ATOM 0 H TYR A 398 -5.986 6.607 -8.170 1.00 0.00 H new ATOM 0 HA TYR A 398 -4.338 8.398 -9.825 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.370 8.447 -9.350 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.487 9.533 -10.405 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -7.778 6.106 -9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -5.683 8.789 -12.618 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -8.085 4.506 -11.851 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -6.009 7.192 -14.495 1.00 0.00 H new ATOM 0 HH TYR A 398 -7.937 5.213 -14.932 1.00 0.00 H new ATOM 475 N GLY A 399 -5.238 8.837 -6.815 1.00 0.00 N ATOM 476 CA GLY A 399 -5.162 9.742 -5.677 1.00 0.00 C ATOM 477 C GLY A 399 -6.444 10.558 -5.525 1.00 0.00 C ATOM 478 O GLY A 399 -7.317 10.550 -6.393 1.00 0.00 O ATOM 0 H GLY A 399 -5.385 7.860 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -4.984 9.170 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -4.314 10.415 -5.802 1.00 0.00 H new ATOM 482 N GLU A 400 -6.547 11.277 -4.404 1.00 0.00 N ATOM 483 CA GLU A 400 -7.686 12.131 -4.109 1.00 0.00 C ATOM 484 C GLU A 400 -7.653 13.350 -5.036 1.00 0.00 C ATOM 485 O GLU A 400 -6.677 13.571 -5.756 1.00 0.00 O ATOM 486 CB GLU A 400 -7.644 12.548 -2.634 1.00 0.00 C ATOM 487 CG GLU A 400 -7.679 11.325 -1.706 1.00 0.00 C ATOM 488 CD GLU A 400 -7.638 11.715 -0.235 1.00 0.00 C ATOM 489 OE1 GLU A 400 -8.182 12.786 0.115 1.00 0.00 O ATOM 490 OE2 GLU A 400 -7.081 10.919 0.556 1.00 0.00 O ATOM 0 H GLU A 400 -5.834 11.278 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 400 -8.618 11.593 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -6.740 13.126 -2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -8.490 13.198 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -8.583 10.749 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -6.833 10.676 -1.931 1.00 0.00 H new ATOM 497 N GLY A 401 -8.720 14.153 -5.035 1.00 0.00 N ATOM 498 CA GLY A 401 -8.805 15.341 -5.874 1.00 0.00 C ATOM 499 C GLY A 401 -9.229 14.992 -7.301 1.00 0.00 C ATOM 500 O GLY A 401 -10.121 15.641 -7.844 1.00 0.00 O ATOM 0 H GLY A 401 -9.543 13.995 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -9.520 16.042 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -7.838 15.843 -5.894 1.00 0.00 H new ATOM 504 N ASN A 402 -8.611 13.969 -7.909 1.00 0.00 N ATOM 505 CA ASN A 402 -8.904 13.506 -9.266 1.00 0.00 C ATOM 506 C ASN A 402 -10.203 12.690 -9.317 1.00 0.00 C ATOM 507 O ASN A 402 -10.266 11.625 -9.933 1.00 0.00 O ATOM 508 CB ASN A 402 -7.707 12.696 -9.795 1.00 0.00 C ATOM 509 CG ASN A 402 -6.446 13.550 -9.905 1.00 0.00 C ATOM 510 OD1 ASN A 402 -6.462 14.602 -10.539 1.00 0.00 O ATOM 511 ND2 ASN A 402 -5.345 13.110 -9.298 1.00 0.00 N ATOM 0 H ASN A 402 -7.874 13.429 -7.455 1.00 0.00 H new ATOM 0 HA ASN A 402 -9.058 14.373 -9.909 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -7.518 11.853 -9.131 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -7.952 12.283 -10.773 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -4.482 13.651 -9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -5.365 12.232 -8.779 1.00 0.00 H new ATOM 518 N TRP A 403 -11.253 13.204 -8.671 1.00 0.00 N ATOM 519 CA TRP A 403 -12.567 12.596 -8.592 1.00 0.00 C ATOM 520 C TRP A 403 -13.189 12.451 -9.971 1.00 0.00 C ATOM 521 O TRP A 403 -13.817 11.438 -10.247 1.00 0.00 O ATOM 522 CB TRP A 403 -13.464 13.451 -7.703 1.00 0.00 C ATOM 523 CG TRP A 403 -12.904 13.784 -6.356 1.00 0.00 C ATOM 524 CD1 TRP A 403 -12.728 15.035 -5.879 1.00 0.00 C ATOM 525 CD2 TRP A 403 -12.442 12.885 -5.302 1.00 0.00 C ATOM 526 NE1 TRP A 403 -12.200 14.984 -4.610 1.00 0.00 N ATOM 527 CE2 TRP A 403 -12.007 13.679 -4.204 1.00 0.00 C ATOM 528 CE3 TRP A 403 -12.347 11.483 -5.150 1.00 0.00 C ATOM 529 CZ2 TRP A 403 -11.514 13.119 -3.018 1.00 0.00 C ATOM 530 CZ3 TRP A 403 -11.848 10.909 -3.965 1.00 0.00 C ATOM 531 CH2 TRP A 403 -11.434 11.723 -2.899 1.00 0.00 C ATOM 0 H TRP A 403 -11.200 14.092 -8.171 1.00 0.00 H new ATOM 0 HA TRP A 403 -12.464 11.599 -8.165 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -13.684 14.382 -8.226 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -14.412 12.931 -7.565 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -12.967 15.942 -6.415 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -11.980 15.803 -4.043 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -12.663 10.840 -5.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -11.199 13.755 -2.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -11.783 9.835 -3.876 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -11.056 11.277 -1.991 1.00 0.00 H new ATOM 542 N SER A 404 -13.018 13.458 -10.835 1.00 0.00 N ATOM 543 CA SER A 404 -13.559 13.421 -12.183 1.00 0.00 C ATOM 544 C SER A 404 -12.956 12.239 -12.944 1.00 0.00 C ATOM 545 O SER A 404 -13.684 11.468 -13.563 1.00 0.00 O ATOM 546 CB SER A 404 -13.290 14.752 -12.896 1.00 0.00 C ATOM 547 OG SER A 404 -13.961 14.794 -14.140 1.00 0.00 O ATOM 0 H SER A 404 -12.504 14.311 -10.615 1.00 0.00 H new ATOM 0 HA SER A 404 -14.639 13.283 -12.143 1.00 0.00 H new ATOM 0 HB2 SER A 404 -13.622 15.580 -12.270 1.00 0.00 H new ATOM 0 HB3 SER A 404 -12.218 14.878 -13.050 1.00 0.00 H new ATOM 0 HG SER A 404 -13.780 15.650 -14.581 1.00 0.00 H new ATOM 553 N LYS A 405 -11.627 12.093 -12.892 1.00 0.00 N ATOM 554 CA LYS A 405 -10.923 11.015 -13.571 1.00 0.00 C ATOM 555 C LYS A 405 -11.415 9.653 -13.069 1.00 0.00 C ATOM 556 O LYS A 405 -11.730 8.771 -13.867 1.00 0.00 O ATOM 557 CB LYS A 405 -9.403 11.189 -13.399 1.00 0.00 C ATOM 558 CG LYS A 405 -8.653 10.743 -14.660 1.00 0.00 C ATOM 559 CD LYS A 405 -8.681 11.852 -15.728 1.00 0.00 C ATOM 560 CE LYS A 405 -8.278 11.348 -17.120 1.00 0.00 C ATOM 561 NZ LYS A 405 -6.923 10.768 -17.141 1.00 0.00 N ATOM 0 H LYS A 405 -11.014 12.724 -12.375 1.00 0.00 H new ATOM 0 HA LYS A 405 -11.138 11.056 -14.639 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -9.175 12.233 -13.186 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -9.061 10.607 -12.543 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -7.621 10.499 -14.409 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -9.107 9.836 -15.058 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -9.683 12.278 -15.777 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -8.008 12.655 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -8.996 10.598 -17.453 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -8.327 12.174 -17.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -6.686 10.474 -18.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -6.236 11.479 -16.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -6.889 9.942 -16.510 1.00 0.00 H new ATOM 575 N ILE A 406 -11.493 9.497 -11.742 1.00 0.00 N ATOM 576 CA ILE A 406 -11.969 8.277 -11.104 1.00 0.00 C ATOM 577 C ILE A 406 -13.393 7.977 -11.588 1.00 0.00 C ATOM 578 O ILE A 406 -13.662 6.890 -12.089 1.00 0.00 O ATOM 579 CB ILE A 406 -11.865 8.428 -9.569 1.00 0.00 C ATOM 580 CG1 ILE A 406 -10.384 8.378 -9.150 1.00 0.00 C ATOM 581 CG2 ILE A 406 -12.660 7.342 -8.830 1.00 0.00 C ATOM 582 CD1 ILE A 406 -10.147 8.861 -7.715 1.00 0.00 C ATOM 0 H ILE A 406 -11.223 10.225 -11.080 1.00 0.00 H new ATOM 0 HA ILE A 406 -11.351 7.422 -11.381 1.00 0.00 H new ATOM 0 HB ILE A 406 -12.298 9.390 -9.294 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.020 7.355 -9.247 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.798 8.991 -9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -12.559 7.486 -7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -13.712 7.408 -9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.274 6.360 -9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -9.084 8.801 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -10.482 9.894 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -10.707 8.232 -7.022 1.00 0.00 H new ATOM 594 N LEU A 407 -14.304 8.943 -11.445 1.00 0.00 N ATOM 595 CA LEU A 407 -15.700 8.824 -11.839 1.00 0.00 C ATOM 596 C LEU A 407 -15.840 8.415 -13.308 1.00 0.00 C ATOM 597 O LEU A 407 -16.653 7.552 -13.627 1.00 0.00 O ATOM 598 CB LEU A 407 -16.428 10.143 -11.533 1.00 0.00 C ATOM 599 CG LEU A 407 -17.953 10.069 -11.724 1.00 0.00 C ATOM 600 CD1 LEU A 407 -18.617 9.227 -10.628 1.00 0.00 C ATOM 601 CD2 LEU A 407 -18.543 11.483 -11.683 1.00 0.00 C ATOM 0 H LEU A 407 -14.079 9.852 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 407 -16.167 8.028 -11.259 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -16.214 10.436 -10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -16.028 10.926 -12.177 1.00 0.00 H new ATOM 0 HG LEU A 407 -18.146 9.599 -12.689 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -19.694 9.197 -10.795 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -18.217 8.213 -10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -18.413 9.672 -9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -19.623 11.431 -11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -18.320 11.943 -10.720 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -18.106 12.083 -12.481 1.00 0.00 H new ATOM 613 N LEU A 408 -15.054 9.028 -14.199 1.00 0.00 N ATOM 614 CA LEU A 408 -15.081 8.736 -15.626 1.00 0.00 C ATOM 615 C LEU A 408 -14.670 7.292 -15.921 1.00 0.00 C ATOM 616 O LEU A 408 -15.312 6.624 -16.727 1.00 0.00 O ATOM 617 CB LEU A 408 -14.142 9.695 -16.381 1.00 0.00 C ATOM 618 CG LEU A 408 -14.716 11.115 -16.532 1.00 0.00 C ATOM 619 CD1 LEU A 408 -13.591 12.086 -16.912 1.00 0.00 C ATOM 620 CD2 LEU A 408 -15.803 11.173 -17.614 1.00 0.00 C ATOM 0 H LEU A 408 -14.377 9.746 -13.942 1.00 0.00 H new ATOM 0 HA LEU A 408 -16.108 8.874 -15.965 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -13.189 9.750 -15.854 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -13.936 9.287 -17.370 1.00 0.00 H new ATOM 0 HG LEU A 408 -15.161 11.396 -15.577 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -13.999 13.091 -17.019 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -12.830 12.084 -16.132 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -13.144 11.774 -17.856 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -16.185 12.191 -17.692 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -15.380 10.870 -18.572 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -16.618 10.500 -17.348 1.00 0.00 H new ATOM 632 N HIS A 409 -13.583 6.825 -15.300 1.00 0.00 N ATOM 633 CA HIS A 409 -13.046 5.494 -15.550 1.00 0.00 C ATOM 634 C HIS A 409 -13.854 4.371 -14.896 1.00 0.00 C ATOM 635 O HIS A 409 -14.140 3.366 -15.545 1.00 0.00 O ATOM 636 CB HIS A 409 -11.577 5.452 -15.115 1.00 0.00 C ATOM 637 CG HIS A 409 -10.695 6.437 -15.846 1.00 0.00 C ATOM 638 ND1 HIS A 409 -9.330 6.507 -15.619 1.00 0.00 N ATOM 639 CD2 HIS A 409 -10.949 7.399 -16.798 1.00 0.00 C ATOM 640 CE1 HIS A 409 -8.844 7.473 -16.412 1.00 0.00 C ATOM 641 NE2 HIS A 409 -9.778 8.059 -17.159 1.00 0.00 N ATOM 0 H HIS A 409 -13.055 7.362 -14.612 1.00 0.00 H new ATOM 0 HA HIS A 409 -13.121 5.309 -16.622 1.00 0.00 H new ATOM 0 HB2 HIS A 409 -11.519 5.652 -14.045 1.00 0.00 H new ATOM 0 HB3 HIS A 409 -11.190 4.445 -15.273 1.00 0.00 H new ATOM 0 HD2 HIS A 409 -11.925 7.612 -17.209 1.00 0.00 H new ATOM 0 HE1 HIS A 409 -7.800 7.748 -16.442 1.00 0.00 H new ATOM 0 HE2 HIS A 409 -9.662 8.813 -17.836 1.00 0.00 H new ATOM 649 N TYR A 410 -14.198 4.517 -13.615 1.00 0.00 N ATOM 650 CA TYR A 410 -14.932 3.501 -12.875 1.00 0.00 C ATOM 651 C TYR A 410 -16.430 3.539 -13.173 1.00 0.00 C ATOM 652 O TYR A 410 -17.004 4.595 -13.427 1.00 0.00 O ATOM 653 CB TYR A 410 -14.653 3.650 -11.381 1.00 0.00 C ATOM 654 CG TYR A 410 -13.274 3.177 -10.970 1.00 0.00 C ATOM 655 CD1 TYR A 410 -12.185 4.065 -10.970 1.00 0.00 C ATOM 656 CD2 TYR A 410 -13.080 1.838 -10.591 1.00 0.00 C ATOM 657 CE1 TYR A 410 -10.911 3.621 -10.585 1.00 0.00 C ATOM 658 CE2 TYR A 410 -11.807 1.392 -10.202 1.00 0.00 C ATOM 659 CZ TYR A 410 -10.724 2.286 -10.196 1.00 0.00 C ATOM 660 OH TYR A 410 -9.491 1.855 -9.813 1.00 0.00 O ATOM 0 H TYR A 410 -13.973 5.346 -13.065 1.00 0.00 H new ATOM 0 HA TYR A 410 -14.582 2.522 -13.203 1.00 0.00 H new ATOM 0 HB2 TYR A 410 -14.767 4.697 -11.102 1.00 0.00 H new ATOM 0 HB3 TYR A 410 -15.402 3.088 -10.823 1.00 0.00 H new ATOM 0 HD1 TYR A 410 -12.329 5.093 -11.267 1.00 0.00 H new ATOM 0 HD2 TYR A 410 -13.912 1.150 -10.599 1.00 0.00 H new ATOM 0 HE1 TYR A 410 -10.076 4.306 -10.588 1.00 0.00 H new ATOM 0 HE2 TYR A 410 -11.661 0.363 -9.908 1.00 0.00 H new ATOM 0 HH TYR A 410 -8.915 2.628 -9.636 1.00 0.00 H new ATOM 670 N LYS A 411 -17.059 2.359 -13.141 1.00 0.00 N ATOM 671 CA LYS A 411 -18.475 2.162 -13.418 1.00 0.00 C ATOM 672 C LYS A 411 -19.358 2.560 -12.229 1.00 0.00 C ATOM 673 O LYS A 411 -20.158 1.752 -11.756 1.00 0.00 O ATOM 674 CB LYS A 411 -18.702 0.689 -13.781 1.00 0.00 C ATOM 675 CG LYS A 411 -17.981 0.254 -15.062 1.00 0.00 C ATOM 676 CD LYS A 411 -17.936 -1.274 -15.217 1.00 0.00 C ATOM 677 CE LYS A 411 -19.309 -1.963 -15.152 1.00 0.00 C ATOM 678 NZ LYS A 411 -19.781 -2.182 -13.767 1.00 0.00 N ATOM 0 H LYS A 411 -16.575 1.490 -12.914 1.00 0.00 H new ATOM 0 HA LYS A 411 -18.759 2.807 -14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -18.365 0.064 -12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -19.771 0.513 -13.898 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -18.484 0.690 -15.925 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -16.964 0.646 -15.055 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -17.467 -1.516 -16.171 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -17.299 -1.687 -14.435 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -20.039 -1.356 -15.687 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -19.253 -2.922 -15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -20.175 -3.141 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -18.984 -2.075 -13.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -20.517 -1.484 -13.537 1.00 0.00 H new ATOM 692 N PHE A 412 -19.236 3.801 -11.751 1.00 0.00 N ATOM 693 CA PHE A 412 -20.050 4.285 -10.645 1.00 0.00 C ATOM 694 C PHE A 412 -21.474 4.546 -11.134 1.00 0.00 C ATOM 695 O PHE A 412 -21.676 5.293 -12.090 1.00 0.00 O ATOM 696 CB PHE A 412 -19.451 5.568 -10.066 1.00 0.00 C ATOM 697 CG PHE A 412 -18.306 5.336 -9.103 1.00 0.00 C ATOM 698 CD1 PHE A 412 -18.583 4.889 -7.797 1.00 0.00 C ATOM 699 CD2 PHE A 412 -16.974 5.561 -9.498 1.00 0.00 C ATOM 700 CE1 PHE A 412 -17.531 4.673 -6.893 1.00 0.00 C ATOM 701 CE2 PHE A 412 -15.925 5.344 -8.588 1.00 0.00 C ATOM 702 CZ PHE A 412 -16.203 4.903 -7.284 1.00 0.00 C ATOM 0 H PHE A 412 -18.577 4.488 -12.118 1.00 0.00 H new ATOM 0 HA PHE A 412 -20.071 3.528 -9.861 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -19.101 6.195 -10.886 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -20.236 6.124 -9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -19.604 4.713 -7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -16.758 5.900 -10.500 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -17.745 4.328 -5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -14.903 5.517 -8.892 1.00 0.00 H new ATOM 0 HZ PHE A 412 -15.397 4.741 -6.584 1.00 0.00 H new ATOM 712 N ASN A 413 -22.459 3.937 -10.467 1.00 0.00 N ATOM 713 CA ASN A 413 -23.878 4.076 -10.786 1.00 0.00 C ATOM 714 C ASN A 413 -24.421 5.420 -10.281 1.00 0.00 C ATOM 715 O ASN A 413 -25.277 5.468 -9.399 1.00 0.00 O ATOM 716 CB ASN A 413 -24.667 2.853 -10.279 1.00 0.00 C ATOM 717 CG ASN A 413 -24.279 2.433 -8.864 1.00 0.00 C ATOM 718 OD1 ASN A 413 -23.718 1.359 -8.667 1.00 0.00 O ATOM 719 ND2 ASN A 413 -24.521 3.295 -7.883 1.00 0.00 N ATOM 0 H ASN A 413 -22.285 3.321 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 413 -24.008 4.092 -11.868 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -25.733 3.080 -10.305 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -24.503 2.016 -10.958 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -24.238 3.074 -6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -24.990 4.178 -8.084 1.00 0.00 H new ATOM 726 N ASN A 414 -23.920 6.513 -10.868 1.00 0.00 N ATOM 727 CA ASN A 414 -24.294 7.893 -10.582 1.00 0.00 C ATOM 728 C ASN A 414 -23.899 8.326 -9.169 1.00 0.00 C ATOM 729 O ASN A 414 -24.649 8.133 -8.211 1.00 0.00 O ATOM 730 CB ASN A 414 -25.781 8.151 -10.873 1.00 0.00 C ATOM 731 CG ASN A 414 -26.143 7.816 -12.318 1.00 0.00 C ATOM 732 OD1 ASN A 414 -26.751 6.783 -12.586 1.00 0.00 O ATOM 733 ND2 ASN A 414 -25.763 8.681 -13.259 1.00 0.00 N ATOM 0 H ASN A 414 -23.205 6.450 -11.593 1.00 0.00 H new ATOM 0 HA ASN A 414 -23.720 8.521 -11.264 1.00 0.00 H new ATOM 0 HB2 ASN A 414 -26.393 7.553 -10.197 1.00 0.00 H new ATOM 0 HB3 ASN A 414 -26.014 9.197 -10.673 1.00 0.00 H new ATOM 0 HD21 ASN A 414 -25.976 8.495 -14.239 1.00 0.00 H new ATOM 0 HD22 ASN A 414 -25.259 9.529 -12.999 1.00 0.00 H new ATOM 740 N ARG A 415 -22.715 8.936 -9.052 1.00 0.00 N ATOM 741 CA ARG A 415 -22.154 9.473 -7.821 1.00 0.00 C ATOM 742 C ARG A 415 -21.481 10.796 -8.190 1.00 0.00 C ATOM 743 O ARG A 415 -20.912 10.914 -9.274 1.00 0.00 O ATOM 744 CB ARG A 415 -21.164 8.481 -7.195 1.00 0.00 C ATOM 745 CG ARG A 415 -21.813 7.173 -6.717 1.00 0.00 C ATOM 746 CD ARG A 415 -22.741 7.389 -5.515 1.00 0.00 C ATOM 747 NE ARG A 415 -23.294 6.114 -5.038 1.00 0.00 N ATOM 748 CZ ARG A 415 -24.453 5.558 -5.429 1.00 0.00 C ATOM 749 NH1 ARG A 415 -25.242 6.157 -6.333 1.00 0.00 N ATOM 750 NH2 ARG A 415 -24.810 4.374 -4.918 1.00 0.00 N ATOM 0 H ARG A 415 -22.098 9.072 -9.853 1.00 0.00 H new ATOM 0 HA ARG A 415 -22.927 9.639 -7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -20.390 8.245 -7.925 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -20.670 8.960 -6.350 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -22.380 6.731 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -21.033 6.460 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -22.190 7.874 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -23.554 8.059 -5.795 1.00 0.00 H new ATOM 0 HE ARG A 415 -22.747 5.603 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -24.966 7.052 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -26.118 5.718 -6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -24.205 3.907 -4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -25.687 3.938 -5.204 1.00 0.00 H new ATOM 764 N THR A 416 -21.565 11.798 -7.311 1.00 0.00 N ATOM 765 CA THR A 416 -21.011 13.125 -7.545 1.00 0.00 C ATOM 766 C THR A 416 -19.610 13.260 -6.956 1.00 0.00 C ATOM 767 O THR A 416 -19.226 12.501 -6.070 1.00 0.00 O ATOM 768 CB THR A 416 -21.946 14.165 -6.914 1.00 0.00 C ATOM 769 OG1 THR A 416 -22.016 13.939 -5.519 1.00 0.00 O ATOM 770 CG2 THR A 416 -23.351 14.104 -7.519 1.00 0.00 C ATOM 0 H THR A 416 -22.027 11.704 -6.406 1.00 0.00 H new ATOM 0 HA THR A 416 -20.931 13.287 -8.620 1.00 0.00 H new ATOM 0 HB THR A 416 -21.542 15.157 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 416 -22.727 14.492 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 416 -23.984 14.855 -7.046 1.00 0.00 H new ATOM 0 HG22 THR A 416 -23.295 14.299 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 416 -23.776 13.114 -7.352 1.00 0.00 H new ATOM 778 N SER A 417 -18.855 14.257 -7.437 1.00 0.00 N ATOM 779 CA SER A 417 -17.515 14.546 -6.948 1.00 0.00 C ATOM 780 C SER A 417 -17.573 14.779 -5.436 1.00 0.00 C ATOM 781 O SER A 417 -16.774 14.211 -4.694 1.00 0.00 O ATOM 782 CB SER A 417 -16.943 15.762 -7.687 1.00 0.00 C ATOM 783 OG SER A 417 -15.673 16.099 -7.170 1.00 0.00 O ATOM 0 H SER A 417 -19.165 14.884 -8.179 1.00 0.00 H new ATOM 0 HA SER A 417 -16.853 13.702 -7.140 1.00 0.00 H new ATOM 0 HB2 SER A 417 -16.863 15.544 -8.752 1.00 0.00 H new ATOM 0 HB3 SER A 417 -17.621 16.610 -7.585 1.00 0.00 H new ATOM 0 HG SER A 417 -15.319 16.876 -7.652 1.00 0.00 H new ATOM 789 N VAL A 418 -18.535 15.601 -4.990 1.00 0.00 N ATOM 790 CA VAL A 418 -18.740 15.898 -3.581 1.00 0.00 C ATOM 791 C VAL A 418 -18.975 14.600 -2.805 1.00 0.00 C ATOM 792 O VAL A 418 -18.337 14.384 -1.777 1.00 0.00 O ATOM 793 CB VAL A 418 -19.837 16.961 -3.386 1.00 0.00 C ATOM 794 CG1 VAL A 418 -21.217 16.571 -3.930 1.00 0.00 C ATOM 795 CG2 VAL A 418 -19.969 17.342 -1.906 1.00 0.00 C ATOM 0 H VAL A 418 -19.192 16.077 -5.608 1.00 0.00 H new ATOM 0 HA VAL A 418 -17.839 16.348 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 418 -19.502 17.813 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -21.923 17.381 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -21.147 16.387 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -21.564 15.668 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -20.750 18.094 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -20.230 16.458 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -19.022 17.745 -1.548 1.00 0.00 H new ATOM 805 N MET A 419 -19.862 13.724 -3.297 1.00 0.00 N ATOM 806 CA MET A 419 -20.126 12.454 -2.636 1.00 0.00 C ATOM 807 C MET A 419 -18.839 11.628 -2.542 1.00 0.00 C ATOM 808 O MET A 419 -18.565 11.062 -1.487 1.00 0.00 O ATOM 809 CB MET A 419 -21.260 11.707 -3.354 1.00 0.00 C ATOM 810 CG MET A 419 -21.719 10.432 -2.632 1.00 0.00 C ATOM 811 SD MET A 419 -23.163 10.545 -1.534 1.00 0.00 S ATOM 812 CE MET A 419 -22.562 11.658 -0.241 1.00 0.00 C ATOM 0 H MET A 419 -20.403 13.878 -4.148 1.00 0.00 H new ATOM 0 HA MET A 419 -20.462 12.636 -1.615 1.00 0.00 H new ATOM 0 HB2 MET A 419 -22.112 12.378 -3.463 1.00 0.00 H new ATOM 0 HB3 MET A 419 -20.930 11.445 -4.359 1.00 0.00 H new ATOM 0 HG2 MET A 419 -21.934 9.678 -3.390 1.00 0.00 H new ATOM 0 HG3 MET A 419 -20.880 10.062 -2.043 1.00 0.00 H new ATOM 0 HE1 MET A 419 -23.207 11.581 0.634 1.00 0.00 H new ATOM 0 HE2 MET A 419 -21.544 11.381 0.033 1.00 0.00 H new ATOM 0 HE3 MET A 419 -22.572 12.684 -0.610 1.00 0.00 H new ATOM 822 N LEU A 420 -18.045 11.564 -3.618 1.00 0.00 N ATOM 823 CA LEU A 420 -16.788 10.824 -3.628 1.00 0.00 C ATOM 824 C LEU A 420 -15.862 11.321 -2.509 1.00 0.00 C ATOM 825 O LEU A 420 -15.427 10.516 -1.683 1.00 0.00 O ATOM 826 CB LEU A 420 -16.097 10.887 -5.004 1.00 0.00 C ATOM 827 CG LEU A 420 -16.425 9.686 -5.911 1.00 0.00 C ATOM 828 CD1 LEU A 420 -17.874 9.687 -6.401 1.00 0.00 C ATOM 829 CD2 LEU A 420 -15.499 9.653 -7.132 1.00 0.00 C ATOM 0 H LEU A 420 -18.260 12.025 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 420 -17.016 9.775 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -16.394 11.806 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -15.018 10.938 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 420 -16.273 8.800 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -18.044 8.817 -7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -18.548 9.649 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -18.064 10.595 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 420 -15.751 8.796 -7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 420 -15.623 10.570 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 420 -14.464 9.569 -6.801 1.00 0.00 H new ATOM 841 N LYS A 421 -15.558 12.629 -2.463 1.00 0.00 N ATOM 842 CA LYS A 421 -14.680 13.147 -1.415 1.00 0.00 C ATOM 843 C LYS A 421 -15.256 12.913 -0.024 1.00 0.00 C ATOM 844 O LYS A 421 -14.528 12.446 0.841 1.00 0.00 O ATOM 845 CB LYS A 421 -14.255 14.616 -1.589 1.00 0.00 C ATOM 846 CG LYS A 421 -15.380 15.608 -1.863 1.00 0.00 C ATOM 847 CD LYS A 421 -14.911 17.066 -1.805 1.00 0.00 C ATOM 848 CE LYS A 421 -14.805 17.622 -0.377 1.00 0.00 C ATOM 849 NZ LYS A 421 -16.125 17.756 0.271 1.00 0.00 N ATOM 0 H LYS A 421 -15.900 13.327 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 421 -13.765 12.565 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -13.731 14.931 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -13.540 14.672 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -15.805 15.406 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -16.177 15.458 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -13.938 17.145 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -15.603 17.685 -2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -14.174 16.964 0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -14.315 18.595 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -16.060 18.439 1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -16.821 18.092 -0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -16.425 16.832 0.642 1.00 0.00 H new ATOM 863 N ASP A 422 -16.530 13.238 0.212 1.00 0.00 N ATOM 864 CA ASP A 422 -17.146 13.077 1.523 1.00 0.00 C ATOM 865 C ASP A 422 -17.070 11.625 1.996 1.00 0.00 C ATOM 866 O ASP A 422 -16.572 11.350 3.089 1.00 0.00 O ATOM 867 CB ASP A 422 -18.594 13.587 1.488 1.00 0.00 C ATOM 868 CG ASP A 422 -18.699 15.091 1.236 1.00 0.00 C ATOM 869 OD1 ASP A 422 -17.641 15.760 1.190 1.00 0.00 O ATOM 870 OD2 ASP A 422 -19.848 15.557 1.095 1.00 0.00 O ATOM 0 H ASP A 422 -17.156 13.617 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 422 -16.591 13.675 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -19.140 13.056 0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -19.079 13.350 2.435 1.00 0.00 H new ATOM 875 N ARG A 423 -17.557 10.702 1.164 1.00 0.00 N ATOM 876 CA ARG A 423 -17.568 9.272 1.441 1.00 0.00 C ATOM 877 C ARG A 423 -16.156 8.757 1.740 1.00 0.00 C ATOM 878 O ARG A 423 -15.997 7.933 2.642 1.00 0.00 O ATOM 879 CB ARG A 423 -18.322 8.541 0.318 1.00 0.00 C ATOM 880 CG ARG A 423 -18.731 7.115 0.706 1.00 0.00 C ATOM 881 CD ARG A 423 -17.622 6.140 0.322 1.00 0.00 C ATOM 882 NE ARG A 423 -17.816 4.801 0.888 1.00 0.00 N ATOM 883 CZ ARG A 423 -17.577 4.468 2.165 1.00 0.00 C ATOM 884 NH1 ARG A 423 -17.210 5.394 3.063 1.00 0.00 N ATOM 885 NH2 ARG A 423 -17.696 3.189 2.527 1.00 0.00 N ATOM 0 H ARG A 423 -17.963 10.938 0.259 1.00 0.00 H new ATOM 0 HA ARG A 423 -18.121 9.057 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -19.213 9.111 0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -17.693 8.504 -0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -18.922 7.060 1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -19.659 6.843 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -17.571 6.066 -0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -16.664 6.536 0.660 1.00 0.00 H new ATOM 0 HE ARG A 423 -18.158 4.069 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -17.109 6.368 2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -17.032 5.124 4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -17.964 2.487 1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -17.519 2.914 3.493 1.00 0.00 H new ATOM 899 N TRP A 424 -15.137 9.237 1.015 1.00 0.00 N ATOM 900 CA TRP A 424 -13.759 8.829 1.249 1.00 0.00 C ATOM 901 C TRP A 424 -13.236 9.402 2.571 1.00 0.00 C ATOM 902 O TRP A 424 -12.752 8.661 3.427 1.00 0.00 O ATOM 903 CB TRP A 424 -12.862 9.282 0.093 1.00 0.00 C ATOM 904 CG TRP A 424 -11.419 8.960 0.320 1.00 0.00 C ATOM 905 CD1 TRP A 424 -10.435 9.864 0.524 1.00 0.00 C ATOM 906 CD2 TRP A 424 -10.778 7.651 0.381 1.00 0.00 C ATOM 907 NE1 TRP A 424 -9.235 9.212 0.706 1.00 0.00 N ATOM 908 CE2 TRP A 424 -9.389 7.844 0.631 1.00 0.00 C ATOM 909 CE3 TRP A 424 -11.225 6.317 0.252 1.00 0.00 C ATOM 910 CZ2 TRP A 424 -8.489 6.776 0.748 1.00 0.00 C ATOM 911 CZ3 TRP A 424 -10.331 5.237 0.365 1.00 0.00 C ATOM 912 CH2 TRP A 424 -8.966 5.463 0.613 1.00 0.00 C ATOM 0 H TRP A 424 -15.250 9.912 0.259 1.00 0.00 H new ATOM 0 HA TRP A 424 -13.737 7.741 1.310 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -13.196 8.805 -0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -12.972 10.357 -0.047 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -10.569 10.935 0.542 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -8.346 9.682 0.875 1.00 0.00 H new ATOM 0 HE3 TRP A 424 -12.271 6.123 0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -7.442 6.961 0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 -10.696 4.226 0.260 1.00 0.00 H new ATOM 0 HH2 TRP A 424 -8.286 4.628 0.699 1.00 0.00 H new ATOM 923 N ARG A 425 -13.328 10.730 2.716 1.00 0.00 N ATOM 924 CA ARG A 425 -12.887 11.506 3.869 1.00 0.00 C ATOM 925 C ARG A 425 -13.412 10.881 5.159 1.00 0.00 C ATOM 926 O ARG A 425 -12.658 10.753 6.115 1.00 0.00 O ATOM 927 CB ARG A 425 -13.323 12.974 3.713 1.00 0.00 C ATOM 928 CG ARG A 425 -12.467 14.006 4.462 1.00 0.00 C ATOM 929 CD ARG A 425 -12.432 13.841 5.986 1.00 0.00 C ATOM 930 NE ARG A 425 -11.922 15.058 6.639 1.00 0.00 N ATOM 931 CZ ARG A 425 -12.632 16.181 6.852 1.00 0.00 C ATOM 932 NH1 ARG A 425 -13.924 16.248 6.505 1.00 0.00 N ATOM 933 NH2 ARG A 425 -12.040 17.245 7.409 1.00 0.00 N ATOM 0 H ARG A 425 -13.735 11.319 1.989 1.00 0.00 H new ATOM 0 HA ARG A 425 -11.798 11.492 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -13.317 13.225 2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -14.353 13.066 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -11.446 13.952 4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -12.841 15.003 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -13.434 13.620 6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -11.801 12.992 6.249 1.00 0.00 H new ATOM 0 HE ARG A 425 -10.952 15.049 6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -14.379 15.443 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -14.453 17.104 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -11.055 17.202 7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -12.574 18.098 7.572 1.00 0.00 H new ATOM 947 N THR A 426 -14.688 10.478 5.183 1.00 0.00 N ATOM 948 CA THR A 426 -15.307 9.841 6.343 1.00 0.00 C ATOM 949 C THR A 426 -14.426 8.710 6.894 1.00 0.00 C ATOM 950 O THR A 426 -14.252 8.602 8.106 1.00 0.00 O ATOM 951 CB THR A 426 -16.707 9.330 5.965 1.00 0.00 C ATOM 952 OG1 THR A 426 -17.518 10.418 5.571 1.00 0.00 O ATOM 953 CG2 THR A 426 -17.399 8.630 7.139 1.00 0.00 C ATOM 0 H THR A 426 -15.321 10.587 4.391 1.00 0.00 H new ATOM 0 HA THR A 426 -15.408 10.580 7.138 1.00 0.00 H new ATOM 0 HB THR A 426 -16.579 8.615 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 426 -17.248 10.721 4.679 1.00 0.00 H new ATOM 0 HG21 THR A 426 -18.385 8.285 6.827 1.00 0.00 H new ATOM 0 HG22 THR A 426 -16.800 7.777 7.458 1.00 0.00 H new ATOM 0 HG23 THR A 426 -17.505 9.329 7.968 1.00 0.00 H new ATOM 961 N MET A 427 -13.867 7.876 6.009 1.00 0.00 N ATOM 962 CA MET A 427 -13.005 6.767 6.395 1.00 0.00 C ATOM 963 C MET A 427 -11.589 7.267 6.689 1.00 0.00 C ATOM 964 O MET A 427 -11.059 7.055 7.781 1.00 0.00 O ATOM 965 CB MET A 427 -12.982 5.717 5.277 1.00 0.00 C ATOM 966 CG MET A 427 -14.373 5.132 5.020 1.00 0.00 C ATOM 967 SD MET A 427 -14.432 3.735 3.865 1.00 0.00 S ATOM 968 CE MET A 427 -13.793 4.516 2.362 1.00 0.00 C ATOM 0 H MET A 427 -14.004 7.957 5.002 1.00 0.00 H new ATOM 0 HA MET A 427 -13.400 6.310 7.303 1.00 0.00 H new ATOM 0 HB2 MET A 427 -12.603 6.169 4.361 1.00 0.00 H new ATOM 0 HB3 MET A 427 -12.294 4.915 5.545 1.00 0.00 H new ATOM 0 HG2 MET A 427 -14.795 4.811 5.973 1.00 0.00 H new ATOM 0 HG3 MET A 427 -15.016 5.924 4.637 1.00 0.00 H new ATOM 0 HE1 MET A 427 -13.899 3.830 1.522 1.00 0.00 H new ATOM 0 HE2 MET A 427 -14.355 5.428 2.159 1.00 0.00 H new ATOM 0 HE3 MET A 427 -12.740 4.762 2.499 1.00 0.00 H new ATOM 978 N LYS A 428 -10.976 7.927 5.701 1.00 0.00 N ATOM 979 CA LYS A 428 -9.622 8.460 5.774 1.00 0.00 C ATOM 980 C LYS A 428 -9.381 9.318 7.029 1.00 0.00 C ATOM 981 O LYS A 428 -8.257 9.352 7.528 1.00 0.00 O ATOM 982 CB LYS A 428 -9.327 9.209 4.464 1.00 0.00 C ATOM 983 CG LYS A 428 -7.927 9.844 4.403 1.00 0.00 C ATOM 984 CD LYS A 428 -7.947 11.330 4.794 1.00 0.00 C ATOM 985 CE LYS A 428 -8.453 12.218 3.647 1.00 0.00 C ATOM 986 NZ LYS A 428 -7.400 12.505 2.658 1.00 0.00 N ATOM 0 H LYS A 428 -11.426 8.108 4.804 1.00 0.00 H new ATOM 0 HA LYS A 428 -8.917 7.636 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -9.436 8.516 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -10.075 9.991 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -7.255 9.303 5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -7.526 9.741 3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -8.585 11.467 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -6.943 11.644 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -9.290 11.726 3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -8.831 13.155 4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -7.773 13.148 1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -6.590 12.952 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -7.092 11.618 2.211 1.00 0.00 H new ATOM 1000 N LYS A 429 -10.416 10.001 7.540 1.00 0.00 N ATOM 1001 CA LYS A 429 -10.378 10.860 8.722 1.00 0.00 C ATOM 1002 C LYS A 429 -9.605 10.215 9.871 1.00 0.00 C ATOM 1003 O LYS A 429 -8.712 10.853 10.428 1.00 0.00 O ATOM 1004 CB LYS A 429 -11.812 11.211 9.154 1.00 0.00 C ATOM 1005 CG LYS A 429 -11.978 11.911 10.517 1.00 0.00 C ATOM 1006 CD LYS A 429 -11.661 13.417 10.548 1.00 0.00 C ATOM 1007 CE LYS A 429 -10.179 13.823 10.572 1.00 0.00 C ATOM 1008 NZ LYS A 429 -9.423 13.188 11.669 1.00 0.00 N ATOM 0 H LYS A 429 -11.343 9.964 7.117 1.00 0.00 H new ATOM 0 HA LYS A 429 -9.848 11.776 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -12.250 11.851 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -12.396 10.291 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -13.005 11.770 10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -11.335 11.410 11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -12.123 13.877 9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -12.143 13.846 11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -9.720 13.556 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -10.107 14.906 10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -8.628 13.800 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -10.050 13.048 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -9.057 12.268 11.351 1.00 0.00 H new