USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=11 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 -79:sc= 1.27 USER MOD Set 1.2: A 409 HIS : no HD1:sc= 0.724 K(o=2,f=-4.9!) USER MOD Set 2.1: A 397 LYS NZ :NH3+ -178:sc= 0.879 (180deg=-0.0985) USER MOD Set 2.2: A 410 TYR OH : rot 30:sc= 0.823 USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 ASN : amide:sc= 0.909 K(o=0.91,f=-4.9!) USER MOD Single : A 393 SER OG : rot 78:sc= 0.898 USER MOD Single : A 402 ASN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 404 SER OG : rot 180:sc= 0.00816 USER MOD Single : A 405 LYS NZ :NH3+ -110:sc= -0.0652 (180deg=-0.695) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0.466 (180deg=0.466) USER MOD Single : A 413 ASN : amide:sc= 0.724 K(o=0.72,f=-0.00095) USER MOD Single : A 414 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.049) USER MOD Single : A 416 THR OG1 : rot -121:sc= 0.402 USER MOD Single : A 417 SER OG : rot 180:sc= 0.00624 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0643) USER MOD Single : A 426 THR OG1 : rot 82:sc= 1.01 USER MOD Single : A 427 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 428 LYS NZ :NH3+ -118:sc= 1.25 (180deg=0.2) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 186 N TRP A 383 -23.769 3.141 -0.328 1.00 0.00 N ATOM 187 CA TRP A 383 -22.610 2.865 -1.156 1.00 0.00 C ATOM 188 C TRP A 383 -22.512 1.353 -1.308 1.00 0.00 C ATOM 189 O TRP A 383 -22.449 0.643 -0.305 1.00 0.00 O ATOM 190 CB TRP A 383 -21.348 3.436 -0.502 1.00 0.00 C ATOM 191 CG TRP A 383 -21.134 4.908 -0.688 1.00 0.00 C ATOM 192 CD1 TRP A 383 -21.570 5.892 0.130 1.00 0.00 C ATOM 193 CD2 TRP A 383 -20.426 5.581 -1.769 1.00 0.00 C ATOM 194 NE1 TRP A 383 -21.192 7.123 -0.369 1.00 0.00 N ATOM 195 CE2 TRP A 383 -20.481 6.989 -1.546 1.00 0.00 C ATOM 196 CE3 TRP A 383 -19.743 5.139 -2.921 1.00 0.00 C ATOM 197 CZ2 TRP A 383 -19.891 7.909 -2.427 1.00 0.00 C ATOM 198 CZ3 TRP A 383 -19.146 6.054 -3.807 1.00 0.00 C ATOM 199 CH2 TRP A 383 -19.220 7.434 -3.562 1.00 0.00 C ATOM 0 HA TRP A 383 -22.707 3.334 -2.135 1.00 0.00 H new ATOM 0 HB2 TRP A 383 -21.386 3.224 0.567 1.00 0.00 H new ATOM 0 HB3 TRP A 383 -20.482 2.907 -0.901 1.00 0.00 H new ATOM 0 HD1 TRP A 383 -22.131 5.738 1.040 1.00 0.00 H new ATOM 0 HE1 TRP A 383 -21.410 8.016 0.074 1.00 0.00 H new ATOM 0 HE3 TRP A 383 -19.677 4.081 -3.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 -19.953 8.970 -2.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 -18.627 5.692 -4.682 1.00 0.00 H new ATOM 0 HH2 TRP A 383 -18.760 8.130 -4.248 1.00 0.00 H new ATOM 210 N LEU A 384 -22.511 0.861 -2.552 1.00 0.00 N ATOM 211 CA LEU A 384 -22.429 -0.568 -2.810 1.00 0.00 C ATOM 212 C LEU A 384 -20.975 -1.030 -2.707 1.00 0.00 C ATOM 213 O LEU A 384 -20.043 -0.235 -2.841 1.00 0.00 O ATOM 214 CB LEU A 384 -23.022 -0.906 -4.188 1.00 0.00 C ATOM 215 CG LEU A 384 -24.560 -0.915 -4.280 1.00 0.00 C ATOM 216 CD1 LEU A 384 -25.191 -2.008 -3.407 1.00 0.00 C ATOM 217 CD2 LEU A 384 -25.201 0.443 -3.971 1.00 0.00 C ATOM 0 H LEU A 384 -22.566 1.438 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 384 -23.015 -1.099 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -22.639 -0.187 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 384 -22.655 -1.887 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 384 -24.773 -1.141 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -26.276 -1.972 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -24.829 -2.985 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -24.917 -1.844 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -26.285 0.361 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -24.938 0.748 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -24.837 1.187 -4.680 1.00 0.00 H new ATOM 229 N TRP A 385 -20.792 -2.336 -2.471 1.00 0.00 N ATOM 230 CA TRP A 385 -19.485 -2.965 -2.351 1.00 0.00 C ATOM 231 C TRP A 385 -18.613 -2.615 -3.559 1.00 0.00 C ATOM 232 O TRP A 385 -17.450 -2.253 -3.399 1.00 0.00 O ATOM 233 CB TRP A 385 -19.648 -4.485 -2.197 1.00 0.00 C ATOM 234 CG TRP A 385 -20.238 -5.201 -3.378 1.00 0.00 C ATOM 235 CD1 TRP A 385 -21.551 -5.456 -3.572 1.00 0.00 C ATOM 236 CD2 TRP A 385 -19.551 -5.751 -4.542 1.00 0.00 C ATOM 237 NE1 TRP A 385 -21.728 -6.120 -4.768 1.00 0.00 N ATOM 238 CE2 TRP A 385 -20.524 -6.326 -5.410 1.00 0.00 C ATOM 239 CE3 TRP A 385 -18.202 -5.818 -4.957 1.00 0.00 C ATOM 240 CZ2 TRP A 385 -20.179 -6.937 -6.626 1.00 0.00 C ATOM 241 CZ3 TRP A 385 -17.844 -6.427 -6.175 1.00 0.00 C ATOM 242 CH2 TRP A 385 -18.829 -6.985 -7.009 1.00 0.00 C ATOM 0 H TRP A 385 -21.566 -2.990 -2.357 1.00 0.00 H new ATOM 0 HA TRP A 385 -18.984 -2.586 -1.460 1.00 0.00 H new ATOM 0 HB2 TRP A 385 -18.670 -4.917 -1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 385 -20.276 -4.678 -1.328 1.00 0.00 H new ATOM 0 HD1 TRP A 385 -22.344 -5.181 -2.892 1.00 0.00 H new ATOM 0 HE1 TRP A 385 -22.633 -6.420 -5.131 1.00 0.00 H new ATOM 0 HE3 TRP A 385 -17.432 -5.395 -4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 -20.942 -7.365 -7.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 -16.806 -6.466 -6.471 1.00 0.00 H new ATOM 0 HH2 TRP A 385 -18.548 -7.450 -7.942 1.00 0.00 H new ATOM 253 N GLU A 386 -19.192 -2.719 -4.763 1.00 0.00 N ATOM 254 CA GLU A 386 -18.507 -2.418 -6.006 1.00 0.00 C ATOM 255 C GLU A 386 -17.958 -0.998 -5.940 1.00 0.00 C ATOM 256 O GLU A 386 -16.756 -0.810 -6.079 1.00 0.00 O ATOM 257 CB GLU A 386 -19.453 -2.612 -7.201 1.00 0.00 C ATOM 258 CG GLU A 386 -18.704 -2.386 -8.522 1.00 0.00 C ATOM 259 CD GLU A 386 -19.634 -2.397 -9.725 1.00 0.00 C ATOM 260 OE1 GLU A 386 -20.282 -1.356 -9.963 1.00 0.00 O ATOM 261 OE2 GLU A 386 -19.658 -3.423 -10.441 1.00 0.00 O ATOM 0 H GLU A 386 -20.159 -3.018 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 386 -17.672 -3.104 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -19.872 -3.618 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -20.289 -1.917 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -18.180 -1.431 -8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -17.947 -3.161 -8.644 1.00 0.00 H new ATOM 268 N GLU A 387 -18.838 -0.015 -5.725 1.00 0.00 N ATOM 269 CA GLU A 387 -18.500 1.396 -5.644 1.00 0.00 C ATOM 270 C GLU A 387 -17.345 1.658 -4.676 1.00 0.00 C ATOM 271 O GLU A 387 -16.396 2.352 -5.031 1.00 0.00 O ATOM 272 CB GLU A 387 -19.741 2.206 -5.257 1.00 0.00 C ATOM 273 CG GLU A 387 -20.893 2.001 -6.248 1.00 0.00 C ATOM 274 CD GLU A 387 -22.068 2.904 -5.910 1.00 0.00 C ATOM 275 OE1 GLU A 387 -22.532 2.837 -4.750 1.00 0.00 O ATOM 276 OE2 GLU A 387 -22.484 3.670 -6.811 1.00 0.00 O ATOM 0 H GLU A 387 -19.835 -0.193 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 387 -18.159 1.717 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -20.066 1.916 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -19.484 3.264 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -20.548 2.210 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -21.213 0.959 -6.229 1.00 0.00 H new ATOM 283 N ASP A 388 -17.405 1.108 -3.459 1.00 0.00 N ATOM 284 CA ASP A 388 -16.347 1.307 -2.476 1.00 0.00 C ATOM 285 C ASP A 388 -15.022 0.688 -2.929 1.00 0.00 C ATOM 286 O ASP A 388 -13.982 1.338 -2.835 1.00 0.00 O ATOM 287 CB ASP A 388 -16.790 0.801 -1.096 1.00 0.00 C ATOM 288 CG ASP A 388 -17.800 1.728 -0.423 1.00 0.00 C ATOM 289 OD1 ASP A 388 -17.886 2.909 -0.821 1.00 0.00 O ATOM 290 OD2 ASP A 388 -18.461 1.274 0.535 1.00 0.00 O ATOM 0 H ASP A 388 -18.176 0.523 -3.136 1.00 0.00 H new ATOM 0 HA ASP A 388 -16.164 2.378 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -17.228 -0.191 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -15.915 0.697 -0.454 1.00 0.00 H new ATOM 295 N LYS A 389 -15.028 -0.551 -3.435 1.00 0.00 N ATOM 296 CA LYS A 389 -13.801 -1.185 -3.915 1.00 0.00 C ATOM 297 C LYS A 389 -13.238 -0.389 -5.105 1.00 0.00 C ATOM 298 O LYS A 389 -12.026 -0.187 -5.204 1.00 0.00 O ATOM 299 CB LYS A 389 -14.057 -2.657 -4.269 1.00 0.00 C ATOM 300 CG LYS A 389 -14.476 -3.522 -3.065 1.00 0.00 C ATOM 301 CD LYS A 389 -13.348 -3.787 -2.057 1.00 0.00 C ATOM 302 CE LYS A 389 -13.861 -4.709 -0.938 1.00 0.00 C ATOM 303 NZ LYS A 389 -12.839 -4.970 0.095 1.00 0.00 N ATOM 0 H LYS A 389 -15.864 -1.129 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 389 -13.052 -1.176 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -14.836 -2.708 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -13.153 -3.078 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -15.301 -3.031 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -14.852 -4.477 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -12.498 -4.248 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -12.996 -2.846 -1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -14.736 -4.256 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -14.184 -5.655 -1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -13.235 -5.596 0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -12.013 -5.427 -0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -12.548 -4.071 0.530 1.00 0.00 H new ATOM 317 N ASN A 390 -14.128 0.078 -5.987 1.00 0.00 N ATOM 318 CA ASN A 390 -13.817 0.886 -7.158 1.00 0.00 C ATOM 319 C ASN A 390 -13.168 2.191 -6.707 1.00 0.00 C ATOM 320 O ASN A 390 -12.188 2.626 -7.304 1.00 0.00 O ATOM 321 CB ASN A 390 -15.089 1.170 -7.978 1.00 0.00 C ATOM 322 CG ASN A 390 -15.392 0.075 -9.000 1.00 0.00 C ATOM 323 OD1 ASN A 390 -15.449 0.330 -10.199 1.00 0.00 O ATOM 324 ND2 ASN A 390 -15.578 -1.161 -8.542 1.00 0.00 N ATOM 0 H ASN A 390 -15.127 -0.108 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 390 -13.124 0.339 -7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -15.937 1.273 -7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -14.977 2.123 -8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -15.773 -1.922 -9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -15.525 -1.347 -7.540 1.00 0.00 H new ATOM 331 N LEU A 391 -13.704 2.808 -5.649 1.00 0.00 N ATOM 332 CA LEU A 391 -13.190 4.046 -5.088 1.00 0.00 C ATOM 333 C LEU A 391 -11.790 3.828 -4.528 1.00 0.00 C ATOM 334 O LEU A 391 -10.881 4.581 -4.865 1.00 0.00 O ATOM 335 CB LEU A 391 -14.151 4.572 -4.017 1.00 0.00 C ATOM 336 CG LEU A 391 -13.712 5.918 -3.427 1.00 0.00 C ATOM 337 CD1 LEU A 391 -13.598 6.996 -4.507 1.00 0.00 C ATOM 338 CD2 LEU A 391 -14.750 6.340 -2.389 1.00 0.00 C ATOM 0 H LEU A 391 -14.521 2.449 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 391 -13.118 4.798 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 391 -15.146 4.678 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 391 -14.229 3.838 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 391 -12.728 5.804 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 391 -13.285 7.936 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 391 -12.862 6.690 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 391 -14.566 7.131 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -14.461 7.296 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -15.724 6.439 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -14.807 5.586 -1.604 1.00 0.00 H new ATOM 350 N ARG A 392 -11.609 2.799 -3.689 1.00 0.00 N ATOM 351 CA ARG A 392 -10.311 2.471 -3.110 1.00 0.00 C ATOM 352 C ARG A 392 -9.288 2.339 -4.241 1.00 0.00 C ATOM 353 O ARG A 392 -8.229 2.963 -4.195 1.00 0.00 O ATOM 354 CB ARG A 392 -10.395 1.178 -2.281 1.00 0.00 C ATOM 355 CG ARG A 392 -11.149 1.378 -0.957 1.00 0.00 C ATOM 356 CD ARG A 392 -11.535 0.061 -0.263 1.00 0.00 C ATOM 357 NE ARG A 392 -10.397 -0.625 0.378 1.00 0.00 N ATOM 358 CZ ARG A 392 -9.553 -1.498 -0.201 1.00 0.00 C ATOM 359 NH1 ARG A 392 -9.693 -1.831 -1.490 1.00 0.00 N ATOM 360 NH2 ARG A 392 -8.564 -2.049 0.514 1.00 0.00 N ATOM 0 H ARG A 392 -12.361 2.175 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 392 -9.998 3.266 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 392 -10.894 0.406 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 392 -9.388 0.818 -2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 392 -10.529 1.967 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 392 -12.053 1.957 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 392 -12.296 0.266 0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 392 -11.985 -0.608 -0.996 1.00 0.00 H new ATOM 0 HE ARG A 392 -10.233 -0.416 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 392 -10.446 -1.422 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 392 -9.047 -2.494 -1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 392 -8.450 -1.807 1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 392 -7.924 -2.711 0.074 1.00 0.00 H new ATOM 374 N SER A 393 -9.618 1.542 -5.265 1.00 0.00 N ATOM 375 CA SER A 393 -8.757 1.336 -6.420 1.00 0.00 C ATOM 376 C SER A 393 -8.437 2.672 -7.099 1.00 0.00 C ATOM 377 O SER A 393 -7.272 3.046 -7.215 1.00 0.00 O ATOM 378 CB SER A 393 -9.418 0.356 -7.397 1.00 0.00 C ATOM 379 OG SER A 393 -9.730 -0.856 -6.741 1.00 0.00 O ATOM 0 H SER A 393 -10.495 1.023 -5.309 1.00 0.00 H new ATOM 0 HA SER A 393 -7.814 0.902 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 393 -10.325 0.799 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.749 0.162 -8.236 1.00 0.00 H new ATOM 0 HG SER A 393 -10.538 -0.736 -6.200 1.00 0.00 H new ATOM 385 N GLY A 394 -9.476 3.387 -7.543 1.00 0.00 N ATOM 386 CA GLY A 394 -9.382 4.673 -8.214 1.00 0.00 C ATOM 387 C GLY A 394 -8.452 5.636 -7.483 1.00 0.00 C ATOM 388 O GLY A 394 -7.527 6.175 -8.085 1.00 0.00 O ATOM 0 H GLY A 394 -10.439 3.067 -7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 394 -9.022 4.525 -9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 394 -10.375 5.116 -8.289 1.00 0.00 H new ATOM 392 N VAL A 395 -8.686 5.845 -6.184 1.00 0.00 N ATOM 393 CA VAL A 395 -7.862 6.729 -5.376 1.00 0.00 C ATOM 394 C VAL A 395 -6.423 6.215 -5.321 1.00 0.00 C ATOM 395 O VAL A 395 -5.495 7.006 -5.434 1.00 0.00 O ATOM 396 CB VAL A 395 -8.462 6.922 -3.974 1.00 0.00 C ATOM 397 CG1 VAL A 395 -7.481 7.709 -3.099 1.00 0.00 C ATOM 398 CG2 VAL A 395 -9.778 7.705 -4.065 1.00 0.00 C ATOM 0 H VAL A 395 -9.450 5.405 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 395 -7.843 7.712 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 395 -8.651 5.941 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -7.908 7.845 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -6.543 7.159 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -7.293 8.684 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -10.194 7.835 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -9.590 8.682 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -10.487 7.155 -4.684 1.00 0.00 H new ATOM 408 N ARG A 396 -6.207 4.905 -5.159 1.00 0.00 N ATOM 409 CA ARG A 396 -4.848 4.378 -5.120 1.00 0.00 C ATOM 410 C ARG A 396 -4.112 4.624 -6.446 1.00 0.00 C ATOM 411 O ARG A 396 -2.896 4.803 -6.432 1.00 0.00 O ATOM 412 CB ARG A 396 -4.827 2.900 -4.693 1.00 0.00 C ATOM 413 CG ARG A 396 -4.621 2.749 -3.176 1.00 0.00 C ATOM 414 CD ARG A 396 -5.826 3.191 -2.334 1.00 0.00 C ATOM 415 NE ARG A 396 -5.439 3.459 -0.942 1.00 0.00 N ATOM 416 CZ ARG A 396 -4.887 4.605 -0.504 1.00 0.00 C ATOM 417 NH1 ARG A 396 -4.685 5.634 -1.339 1.00 0.00 N ATOM 418 NH2 ARG A 396 -4.531 4.715 0.782 1.00 0.00 N ATOM 0 H ARG A 396 -6.943 4.206 -5.055 1.00 0.00 H new ATOM 0 HA ARG A 396 -4.299 4.927 -4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 396 -5.764 2.424 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 396 -4.029 2.380 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 396 -4.398 1.706 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 396 -3.750 3.332 -2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 396 -6.267 4.088 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 396 -6.592 2.416 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 396 -5.601 2.721 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 396 -4.951 5.554 -2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 396 -4.265 6.497 -0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 396 -4.679 3.934 1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 396 -4.112 5.580 1.123 1.00 0.00 H new ATOM 432 N LYS A 397 -4.825 4.647 -7.581 1.00 0.00 N ATOM 433 CA LYS A 397 -4.213 4.890 -8.883 1.00 0.00 C ATOM 434 C LYS A 397 -3.981 6.381 -9.164 1.00 0.00 C ATOM 435 O LYS A 397 -2.875 6.764 -9.538 1.00 0.00 O ATOM 436 CB LYS A 397 -5.073 4.304 -10.020 1.00 0.00 C ATOM 437 CG LYS A 397 -4.806 2.825 -10.329 1.00 0.00 C ATOM 438 CD LYS A 397 -5.504 1.878 -9.347 1.00 0.00 C ATOM 439 CE LYS A 397 -5.238 0.403 -9.664 1.00 0.00 C ATOM 440 NZ LYS A 397 -5.775 0.011 -10.981 1.00 0.00 N ATOM 0 H LYS A 397 -5.833 4.498 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 397 -3.244 4.392 -8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 397 -6.125 4.423 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -4.901 4.887 -10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -5.143 2.604 -11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -3.732 2.641 -10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -5.165 2.095 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -6.578 2.063 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -4.164 0.216 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -5.687 -0.220 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -5.602 -1.002 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -6.798 0.196 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -5.304 0.563 -11.726 1.00 0.00 H new ATOM 454 N TYR A 398 -5.030 7.201 -9.049 1.00 0.00 N ATOM 455 CA TYR A 398 -5.008 8.621 -9.408 1.00 0.00 C ATOM 456 C TYR A 398 -4.834 9.602 -8.247 1.00 0.00 C ATOM 457 O TYR A 398 -4.389 10.725 -8.475 1.00 0.00 O ATOM 458 CB TYR A 398 -6.292 8.933 -10.195 1.00 0.00 C ATOM 459 CG TYR A 398 -6.693 7.821 -11.152 1.00 0.00 C ATOM 460 CD1 TYR A 398 -5.805 7.406 -12.161 1.00 0.00 C ATOM 461 CD2 TYR A 398 -7.942 7.189 -11.020 1.00 0.00 C ATOM 462 CE1 TYR A 398 -6.165 6.361 -13.029 1.00 0.00 C ATOM 463 CE2 TYR A 398 -8.303 6.145 -11.886 1.00 0.00 C ATOM 464 CZ TYR A 398 -7.412 5.730 -12.888 1.00 0.00 C ATOM 465 OH TYR A 398 -7.753 4.712 -13.729 1.00 0.00 O ATOM 0 H TYR A 398 -5.935 6.890 -8.697 1.00 0.00 H new ATOM 0 HA TYR A 398 -4.111 8.774 -10.008 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.107 9.111 -9.493 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.150 9.855 -10.759 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -4.846 7.891 -12.269 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.627 7.508 -10.249 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -5.483 6.043 -13.804 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -9.264 5.662 -11.782 1.00 0.00 H new ATOM 0 HH TYR A 398 -8.050 5.082 -14.586 1.00 0.00 H new ATOM 475 N GLY A 399 -5.187 9.209 -7.021 1.00 0.00 N ATOM 476 CA GLY A 399 -5.093 10.063 -5.843 1.00 0.00 C ATOM 477 C GLY A 399 -6.413 10.805 -5.636 1.00 0.00 C ATOM 478 O GLY A 399 -7.056 11.212 -6.607 1.00 0.00 O ATOM 0 H GLY A 399 -5.550 8.277 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -4.861 9.462 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -4.279 10.777 -5.964 1.00 0.00 H new ATOM 482 N GLU A 400 -6.822 10.981 -4.373 1.00 0.00 N ATOM 483 CA GLU A 400 -8.058 11.673 -4.036 1.00 0.00 C ATOM 484 C GLU A 400 -8.022 13.095 -4.597 1.00 0.00 C ATOM 485 O GLU A 400 -6.961 13.708 -4.693 1.00 0.00 O ATOM 486 CB GLU A 400 -8.338 11.639 -2.525 1.00 0.00 C ATOM 487 CG GLU A 400 -7.129 11.961 -1.636 1.00 0.00 C ATOM 488 CD GLU A 400 -6.410 10.700 -1.169 1.00 0.00 C ATOM 489 OE1 GLU A 400 -5.637 10.144 -1.978 1.00 0.00 O ATOM 490 OE2 GLU A 400 -6.658 10.305 -0.007 1.00 0.00 O ATOM 0 H GLU A 400 -6.302 10.646 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 400 -8.893 11.150 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -9.134 12.349 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -8.711 10.649 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -6.432 12.592 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -7.459 12.532 -0.768 1.00 0.00 H new ATOM 497 N GLY A 401 -9.194 13.598 -4.996 1.00 0.00 N ATOM 498 CA GLY A 401 -9.341 14.910 -5.606 1.00 0.00 C ATOM 499 C GLY A 401 -9.688 14.729 -7.083 1.00 0.00 C ATOM 500 O GLY A 401 -10.514 15.469 -7.616 1.00 0.00 O ATOM 0 H GLY A 401 -10.075 13.094 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -10.124 15.476 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -8.418 15.480 -5.502 1.00 0.00 H new ATOM 504 N ASN A 402 -9.076 13.734 -7.741 1.00 0.00 N ATOM 505 CA ASN A 402 -9.299 13.410 -9.149 1.00 0.00 C ATOM 506 C ASN A 402 -10.598 12.613 -9.309 1.00 0.00 C ATOM 507 O ASN A 402 -10.622 11.550 -9.931 1.00 0.00 O ATOM 508 CB ASN A 402 -8.094 12.629 -9.696 1.00 0.00 C ATOM 509 CG ASN A 402 -6.797 13.422 -9.573 1.00 0.00 C ATOM 510 OD1 ASN A 402 -6.473 14.224 -10.445 1.00 0.00 O ATOM 511 ND2 ASN A 402 -6.049 13.206 -8.491 1.00 0.00 N ATOM 0 H ASN A 402 -8.396 13.119 -7.293 1.00 0.00 H new ATOM 0 HA ASN A 402 -9.401 14.331 -9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -7.996 11.688 -9.155 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -8.268 12.379 -10.742 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -5.174 13.715 -8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -6.352 12.532 -7.788 1.00 0.00 H new ATOM 518 N TRP A 403 -11.687 13.137 -8.740 1.00 0.00 N ATOM 519 CA TRP A 403 -13.009 12.533 -8.757 1.00 0.00 C ATOM 520 C TRP A 403 -13.489 12.287 -10.184 1.00 0.00 C ATOM 521 O TRP A 403 -14.101 11.260 -10.455 1.00 0.00 O ATOM 522 CB TRP A 403 -13.975 13.409 -7.955 1.00 0.00 C ATOM 523 CG TRP A 403 -13.479 13.816 -6.597 1.00 0.00 C ATOM 524 CD1 TRP A 403 -13.417 15.087 -6.141 1.00 0.00 C ATOM 525 CD2 TRP A 403 -12.964 12.984 -5.510 1.00 0.00 C ATOM 526 NE1 TRP A 403 -12.906 15.108 -4.862 1.00 0.00 N ATOM 527 CE2 TRP A 403 -12.606 13.836 -4.423 1.00 0.00 C ATOM 528 CE3 TRP A 403 -12.755 11.598 -5.325 1.00 0.00 C ATOM 529 CZ2 TRP A 403 -12.072 13.342 -3.223 1.00 0.00 C ATOM 530 CZ3 TRP A 403 -12.221 11.092 -4.124 1.00 0.00 C ATOM 531 CH2 TRP A 403 -11.880 11.961 -3.075 1.00 0.00 C ATOM 0 H TRP A 403 -11.665 14.025 -8.239 1.00 0.00 H new ATOM 0 HA TRP A 403 -12.966 11.553 -8.283 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -14.191 14.308 -8.532 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -14.916 12.872 -7.836 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -13.724 15.960 -6.699 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -12.767 15.955 -4.311 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -13.010 10.914 -6.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -11.812 14.018 -2.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -12.073 10.028 -4.009 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -11.471 11.567 -2.157 1.00 0.00 H new ATOM 542 N SER A 404 -13.197 13.214 -11.101 1.00 0.00 N ATOM 543 CA SER A 404 -13.567 13.086 -12.499 1.00 0.00 C ATOM 544 C SER A 404 -12.885 11.858 -13.109 1.00 0.00 C ATOM 545 O SER A 404 -13.543 11.023 -13.724 1.00 0.00 O ATOM 546 CB SER A 404 -13.197 14.380 -13.231 1.00 0.00 C ATOM 547 OG SER A 404 -11.859 14.748 -12.951 1.00 0.00 O ATOM 0 H SER A 404 -12.695 14.075 -10.886 1.00 0.00 H new ATOM 0 HA SER A 404 -14.642 12.937 -12.598 1.00 0.00 H new ATOM 0 HB2 SER A 404 -13.325 14.246 -14.305 1.00 0.00 H new ATOM 0 HB3 SER A 404 -13.871 15.181 -12.927 1.00 0.00 H new ATOM 0 HG SER A 404 -11.641 15.575 -13.428 1.00 0.00 H new ATOM 553 N LYS A 405 -11.564 11.737 -12.931 1.00 0.00 N ATOM 554 CA LYS A 405 -10.800 10.609 -13.449 1.00 0.00 C ATOM 555 C LYS A 405 -11.364 9.297 -12.895 1.00 0.00 C ATOM 556 O LYS A 405 -11.568 8.348 -13.648 1.00 0.00 O ATOM 557 CB LYS A 405 -9.312 10.780 -13.104 1.00 0.00 C ATOM 558 CG LYS A 405 -8.403 9.864 -13.939 1.00 0.00 C ATOM 559 CD LYS A 405 -7.764 10.537 -15.167 1.00 0.00 C ATOM 560 CE LYS A 405 -8.750 10.988 -16.255 1.00 0.00 C ATOM 561 NZ LYS A 405 -9.341 12.310 -15.975 1.00 0.00 N ATOM 0 H LYS A 405 -11.001 12.420 -12.424 1.00 0.00 H new ATOM 0 HA LYS A 405 -10.887 10.576 -14.535 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -9.022 11.818 -13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -9.161 10.568 -12.045 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -7.609 9.481 -13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -8.985 9.005 -14.274 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -7.197 11.405 -14.831 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -7.051 9.843 -15.611 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -8.235 11.021 -17.215 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -9.547 10.250 -16.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -10.347 12.197 -15.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -8.843 12.751 -15.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -9.251 12.916 -16.816 1.00 0.00 H new ATOM 575 N ILE A 406 -11.624 9.264 -11.584 1.00 0.00 N ATOM 576 CA ILE A 406 -12.180 8.108 -10.897 1.00 0.00 C ATOM 577 C ILE A 406 -13.530 7.729 -11.521 1.00 0.00 C ATOM 578 O ILE A 406 -13.724 6.578 -11.905 1.00 0.00 O ATOM 579 CB ILE A 406 -12.252 8.404 -9.383 1.00 0.00 C ATOM 580 CG1 ILE A 406 -10.829 8.453 -8.797 1.00 0.00 C ATOM 581 CG2 ILE A 406 -13.096 7.357 -8.645 1.00 0.00 C ATOM 582 CD1 ILE A 406 -10.748 9.128 -7.425 1.00 0.00 C ATOM 0 H ILE A 406 -11.449 10.056 -10.966 1.00 0.00 H new ATOM 0 HA ILE A 406 -11.538 7.236 -11.017 1.00 0.00 H new ATOM 0 HB ILE A 406 -12.735 9.372 -9.247 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.445 7.436 -8.714 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -10.178 8.984 -9.492 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -13.125 7.597 -7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -14.110 7.359 -9.045 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.654 6.370 -8.783 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -9.715 9.124 -7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -11.100 10.156 -7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -11.371 8.585 -6.715 1.00 0.00 H new ATOM 594 N LEU A 407 -14.456 8.690 -11.634 1.00 0.00 N ATOM 595 CA LEU A 407 -15.779 8.485 -12.214 1.00 0.00 C ATOM 596 C LEU A 407 -15.690 7.921 -13.633 1.00 0.00 C ATOM 597 O LEU A 407 -16.415 6.990 -13.971 1.00 0.00 O ATOM 598 CB LEU A 407 -16.565 9.807 -12.236 1.00 0.00 C ATOM 599 CG LEU A 407 -17.132 10.209 -10.865 1.00 0.00 C ATOM 600 CD1 LEU A 407 -17.563 11.681 -10.898 1.00 0.00 C ATOM 601 CD2 LEU A 407 -18.347 9.350 -10.492 1.00 0.00 C ATOM 0 H LEU A 407 -14.299 9.647 -11.318 1.00 0.00 H new ATOM 0 HA LEU A 407 -16.300 7.760 -11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -15.912 10.602 -12.597 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -17.386 9.720 -12.948 1.00 0.00 H new ATOM 0 HG LEU A 407 -16.350 10.056 -10.121 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -17.965 11.964 -9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -16.702 12.307 -11.131 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -18.329 11.819 -11.661 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -18.725 9.658 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -19.128 9.479 -11.242 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -18.053 8.301 -10.452 1.00 0.00 H new ATOM 613 N LEU A 408 -14.816 8.489 -14.469 1.00 0.00 N ATOM 614 CA LEU A 408 -14.659 8.052 -15.849 1.00 0.00 C ATOM 615 C LEU A 408 -14.032 6.656 -15.958 1.00 0.00 C ATOM 616 O LEU A 408 -14.444 5.872 -16.810 1.00 0.00 O ATOM 617 CB LEU A 408 -13.827 9.081 -16.639 1.00 0.00 C ATOM 618 CG LEU A 408 -14.672 10.180 -17.311 1.00 0.00 C ATOM 619 CD1 LEU A 408 -15.514 11.023 -16.347 1.00 0.00 C ATOM 620 CD2 LEU A 408 -13.744 11.110 -18.102 1.00 0.00 C ATOM 0 H LEU A 408 -14.203 9.260 -14.205 1.00 0.00 H new ATOM 0 HA LEU A 408 -15.657 7.983 -16.281 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -13.110 9.549 -15.965 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -13.252 8.559 -17.404 1.00 0.00 H new ATOM 0 HG LEU A 408 -15.381 9.660 -17.956 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -16.074 11.769 -16.910 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -16.209 10.377 -15.810 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -14.859 11.523 -15.634 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -14.334 11.891 -18.581 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -13.021 11.565 -17.425 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -13.216 10.536 -18.863 1.00 0.00 H new ATOM 632 N HIS A 409 -13.015 6.353 -15.142 1.00 0.00 N ATOM 633 CA HIS A 409 -12.277 5.094 -15.222 1.00 0.00 C ATOM 634 C HIS A 409 -12.844 3.930 -14.402 1.00 0.00 C ATOM 635 O HIS A 409 -12.477 2.789 -14.677 1.00 0.00 O ATOM 636 CB HIS A 409 -10.804 5.343 -14.874 1.00 0.00 C ATOM 637 CG HIS A 409 -10.091 6.289 -15.814 1.00 0.00 C ATOM 638 ND1 HIS A 409 -8.712 6.427 -15.821 1.00 0.00 N ATOM 639 CD2 HIS A 409 -10.533 7.152 -16.789 1.00 0.00 C ATOM 640 CE1 HIS A 409 -8.403 7.335 -16.760 1.00 0.00 C ATOM 641 NE2 HIS A 409 -9.472 7.817 -17.390 1.00 0.00 N ATOM 0 H HIS A 409 -12.683 6.978 -14.407 1.00 0.00 H new ATOM 0 HA HIS A 409 -12.385 4.760 -16.254 1.00 0.00 H new ATOM 0 HB2 HIS A 409 -10.745 5.743 -13.862 1.00 0.00 H new ATOM 0 HB3 HIS A 409 -10.278 4.388 -14.871 1.00 0.00 H new ATOM 0 HD2 HIS A 409 -11.570 7.294 -17.053 1.00 0.00 H new ATOM 0 HE1 HIS A 409 -7.392 7.643 -16.981 1.00 0.00 H new ATOM 0 HE2 HIS A 409 -9.504 8.511 -18.137 1.00 0.00 H new ATOM 649 N TYR A 410 -13.707 4.179 -13.409 1.00 0.00 N ATOM 650 CA TYR A 410 -14.287 3.131 -12.569 1.00 0.00 C ATOM 651 C TYR A 410 -15.817 3.246 -12.508 1.00 0.00 C ATOM 652 O TYR A 410 -16.383 4.276 -12.863 1.00 0.00 O ATOM 653 CB TYR A 410 -13.603 3.136 -11.196 1.00 0.00 C ATOM 654 CG TYR A 410 -12.276 2.396 -11.159 1.00 0.00 C ATOM 655 CD1 TYR A 410 -12.265 0.989 -11.172 1.00 0.00 C ATOM 656 CD2 TYR A 410 -11.056 3.097 -11.114 1.00 0.00 C ATOM 657 CE1 TYR A 410 -11.050 0.287 -11.137 1.00 0.00 C ATOM 658 CE2 TYR A 410 -9.837 2.393 -11.080 1.00 0.00 C ATOM 659 CZ TYR A 410 -9.834 0.987 -11.090 1.00 0.00 C ATOM 660 OH TYR A 410 -8.659 0.292 -11.056 1.00 0.00 O ATOM 0 H TYR A 410 -14.022 5.118 -13.167 1.00 0.00 H new ATOM 0 HA TYR A 410 -14.097 2.154 -13.013 1.00 0.00 H new ATOM 0 HB2 TYR A 410 -13.439 4.169 -10.888 1.00 0.00 H new ATOM 0 HB3 TYR A 410 -14.277 2.688 -10.465 1.00 0.00 H new ATOM 0 HD1 TYR A 410 -13.198 0.446 -11.209 1.00 0.00 H new ATOM 0 HD2 TYR A 410 -11.055 4.177 -11.106 1.00 0.00 H new ATOM 0 HE1 TYR A 410 -11.051 -0.793 -11.146 1.00 0.00 H new ATOM 0 HE2 TYR A 410 -8.903 2.934 -11.046 1.00 0.00 H new ATOM 0 HH TYR A 410 -8.769 -0.560 -11.528 1.00 0.00 H new ATOM 670 N LYS A 411 -16.485 2.162 -12.087 1.00 0.00 N ATOM 671 CA LYS A 411 -17.938 2.052 -12.024 1.00 0.00 C ATOM 672 C LYS A 411 -18.539 2.669 -10.761 1.00 0.00 C ATOM 673 O LYS A 411 -18.080 2.396 -9.652 1.00 0.00 O ATOM 674 CB LYS A 411 -18.364 0.578 -12.125 1.00 0.00 C ATOM 675 CG LYS A 411 -17.895 -0.066 -13.436 1.00 0.00 C ATOM 676 CD LYS A 411 -18.315 -1.539 -13.573 1.00 0.00 C ATOM 677 CE LYS A 411 -19.823 -1.742 -13.793 1.00 0.00 C ATOM 678 NZ LYS A 411 -20.562 -1.989 -12.540 1.00 0.00 N ATOM 0 H LYS A 411 -16.009 1.316 -11.773 1.00 0.00 H new ATOM 0 HA LYS A 411 -18.323 2.619 -12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -17.954 0.023 -11.281 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -19.450 0.508 -12.055 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -18.299 0.500 -14.276 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -16.809 0.003 -13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -17.773 -1.984 -14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -18.014 -2.077 -12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -20.235 -0.860 -14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -19.976 -2.583 -14.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -21.572 -2.118 -12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -20.192 -2.846 -12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -20.443 -1.177 -11.901 1.00 0.00 H new ATOM 692 N PHE A 412 -19.588 3.479 -10.959 1.00 0.00 N ATOM 693 CA PHE A 412 -20.369 4.168 -9.941 1.00 0.00 C ATOM 694 C PHE A 412 -21.766 4.394 -10.517 1.00 0.00 C ATOM 695 O PHE A 412 -21.894 4.574 -11.726 1.00 0.00 O ATOM 696 CB PHE A 412 -19.723 5.511 -9.583 1.00 0.00 C ATOM 697 CG PHE A 412 -18.346 5.372 -8.977 1.00 0.00 C ATOM 698 CD1 PHE A 412 -18.209 5.091 -7.606 1.00 0.00 C ATOM 699 CD2 PHE A 412 -17.202 5.510 -9.783 1.00 0.00 C ATOM 700 CE1 PHE A 412 -16.930 4.951 -7.043 1.00 0.00 C ATOM 701 CE2 PHE A 412 -15.926 5.367 -9.219 1.00 0.00 C ATOM 702 CZ PHE A 412 -15.788 5.089 -7.849 1.00 0.00 C ATOM 0 H PHE A 412 -19.930 3.679 -11.899 1.00 0.00 H new ATOM 0 HA PHE A 412 -20.416 3.572 -9.030 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -19.656 6.125 -10.481 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -20.368 6.041 -8.882 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -19.087 4.983 -6.986 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -17.306 5.726 -10.836 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -16.824 4.737 -5.990 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -15.048 5.471 -9.839 1.00 0.00 H new ATOM 0 HZ PHE A 412 -14.805 4.981 -7.416 1.00 0.00 H new ATOM 712 N ASN A 413 -22.808 4.385 -9.674 1.00 0.00 N ATOM 713 CA ASN A 413 -24.176 4.586 -10.147 1.00 0.00 C ATOM 714 C ASN A 413 -24.387 6.032 -10.605 1.00 0.00 C ATOM 715 O ASN A 413 -24.453 6.296 -11.803 1.00 0.00 O ATOM 716 CB ASN A 413 -25.202 4.173 -9.082 1.00 0.00 C ATOM 717 CG ASN A 413 -25.268 2.657 -8.916 1.00 0.00 C ATOM 718 OD1 ASN A 413 -26.078 1.993 -9.558 1.00 0.00 O ATOM 719 ND2 ASN A 413 -24.421 2.098 -8.056 1.00 0.00 N ATOM 0 H ASN A 413 -22.726 4.241 -8.668 1.00 0.00 H new ATOM 0 HA ASN A 413 -24.332 3.940 -11.011 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -24.941 4.632 -8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -26.186 4.551 -9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -24.431 1.088 -7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -23.761 2.679 -7.539 1.00 0.00 H new ATOM 726 N ASN A 414 -24.499 6.966 -9.654 1.00 0.00 N ATOM 727 CA ASN A 414 -24.710 8.388 -9.910 1.00 0.00 C ATOM 728 C ASN A 414 -23.995 9.164 -8.806 1.00 0.00 C ATOM 729 O ASN A 414 -24.633 9.702 -7.904 1.00 0.00 O ATOM 730 CB ASN A 414 -26.212 8.714 -9.936 1.00 0.00 C ATOM 731 CG ASN A 414 -26.920 8.134 -11.158 1.00 0.00 C ATOM 732 OD1 ASN A 414 -26.901 8.731 -12.230 1.00 0.00 O ATOM 733 ND2 ASN A 414 -27.563 6.976 -11.001 1.00 0.00 N ATOM 0 H ASN A 414 -24.443 6.744 -8.660 1.00 0.00 H new ATOM 0 HA ASN A 414 -24.307 8.668 -10.883 1.00 0.00 H new ATOM 0 HB2 ASN A 414 -26.680 8.325 -9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 414 -26.345 9.796 -9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 414 -28.061 6.558 -11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 414 -27.557 6.508 -10.095 1.00 0.00 H new ATOM 740 N ARG A 415 -22.659 9.195 -8.874 1.00 0.00 N ATOM 741 CA ARG A 415 -21.806 9.862 -7.897 1.00 0.00 C ATOM 742 C ARG A 415 -21.335 11.217 -8.417 1.00 0.00 C ATOM 743 O ARG A 415 -21.339 11.473 -9.619 1.00 0.00 O ATOM 744 CB ARG A 415 -20.625 8.949 -7.539 1.00 0.00 C ATOM 745 CG ARG A 415 -20.950 7.988 -6.388 1.00 0.00 C ATOM 746 CD ARG A 415 -22.271 7.238 -6.590 1.00 0.00 C ATOM 747 NE ARG A 415 -22.460 6.171 -5.606 1.00 0.00 N ATOM 748 CZ ARG A 415 -22.866 6.330 -4.337 1.00 0.00 C ATOM 749 NH1 ARG A 415 -23.007 7.549 -3.802 1.00 0.00 N ATOM 750 NH2 ARG A 415 -23.151 5.252 -3.606 1.00 0.00 N ATOM 0 H ARG A 415 -22.135 8.747 -9.626 1.00 0.00 H new ATOM 0 HA ARG A 415 -22.381 10.053 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -20.337 8.373 -8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -19.767 9.562 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -20.140 7.266 -6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -20.996 8.550 -5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -23.100 7.942 -6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -22.295 6.812 -7.593 1.00 0.00 H new ATOM 0 HE ARG A 415 -22.265 5.218 -5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -22.805 8.378 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -23.317 7.649 -2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -23.059 4.321 -4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -23.461 5.358 -2.640 1.00 0.00 H new ATOM 764 N THR A 416 -20.938 12.078 -7.477 1.00 0.00 N ATOM 765 CA THR A 416 -20.460 13.428 -7.715 1.00 0.00 C ATOM 766 C THR A 416 -19.173 13.642 -6.925 1.00 0.00 C ATOM 767 O THR A 416 -18.860 12.872 -6.015 1.00 0.00 O ATOM 768 CB THR A 416 -21.520 14.437 -7.241 1.00 0.00 C ATOM 769 OG1 THR A 416 -21.643 14.371 -5.831 1.00 0.00 O ATOM 770 CG2 THR A 416 -22.885 14.189 -7.893 1.00 0.00 C ATOM 0 H THR A 416 -20.944 11.835 -6.486 1.00 0.00 H new ATOM 0 HA THR A 416 -20.272 13.572 -8.779 1.00 0.00 H new ATOM 0 HB THR A 416 -21.189 15.431 -7.542 1.00 0.00 H new ATOM 0 HG1 THR A 416 -22.565 14.140 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 416 -23.601 14.925 -7.528 1.00 0.00 H new ATOM 0 HG22 THR A 416 -22.793 14.278 -8.975 1.00 0.00 H new ATOM 0 HG23 THR A 416 -23.233 13.188 -7.639 1.00 0.00 H new ATOM 778 N SER A 417 -18.448 14.711 -7.264 1.00 0.00 N ATOM 779 CA SER A 417 -17.220 15.106 -6.598 1.00 0.00 C ATOM 780 C SER A 417 -17.467 15.227 -5.094 1.00 0.00 C ATOM 781 O SER A 417 -16.693 14.706 -4.297 1.00 0.00 O ATOM 782 CB SER A 417 -16.751 16.438 -7.197 1.00 0.00 C ATOM 783 OG SER A 417 -17.847 17.328 -7.305 1.00 0.00 O ATOM 0 H SER A 417 -18.711 15.335 -8.027 1.00 0.00 H new ATOM 0 HA SER A 417 -16.442 14.357 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 417 -15.975 16.876 -6.569 1.00 0.00 H new ATOM 0 HB3 SER A 417 -16.309 16.270 -8.179 1.00 0.00 H new ATOM 0 HG SER A 417 -17.542 18.178 -7.686 1.00 0.00 H new ATOM 789 N VAL A 418 -18.558 15.910 -4.728 1.00 0.00 N ATOM 790 CA VAL A 418 -18.979 16.134 -3.354 1.00 0.00 C ATOM 791 C VAL A 418 -19.201 14.804 -2.625 1.00 0.00 C ATOM 792 O VAL A 418 -18.657 14.609 -1.540 1.00 0.00 O ATOM 793 CB VAL A 418 -20.244 17.015 -3.331 1.00 0.00 C ATOM 794 CG1 VAL A 418 -20.747 17.240 -1.899 1.00 0.00 C ATOM 795 CG2 VAL A 418 -19.962 18.384 -3.968 1.00 0.00 C ATOM 0 H VAL A 418 -19.189 16.333 -5.409 1.00 0.00 H new ATOM 0 HA VAL A 418 -18.187 16.661 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 418 -21.009 16.487 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -21.640 17.865 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -20.988 16.280 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -19.972 17.735 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -20.867 18.991 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -19.171 18.888 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -19.647 18.246 -5.002 1.00 0.00 H new ATOM 805 N MET A 419 -19.997 13.898 -3.207 1.00 0.00 N ATOM 806 CA MET A 419 -20.287 12.605 -2.596 1.00 0.00 C ATOM 807 C MET A 419 -19.004 11.802 -2.377 1.00 0.00 C ATOM 808 O MET A 419 -18.762 11.320 -1.271 1.00 0.00 O ATOM 809 CB MET A 419 -21.305 11.834 -3.450 1.00 0.00 C ATOM 810 CG MET A 419 -22.750 12.186 -3.077 1.00 0.00 C ATOM 811 SD MET A 419 -23.198 13.944 -3.080 1.00 0.00 S ATOM 812 CE MET A 419 -24.930 13.817 -2.577 1.00 0.00 C ATOM 0 H MET A 419 -20.453 14.044 -4.108 1.00 0.00 H new ATOM 0 HA MET A 419 -20.730 12.771 -1.614 1.00 0.00 H new ATOM 0 HB2 MET A 419 -21.138 12.057 -4.504 1.00 0.00 H new ATOM 0 HB3 MET A 419 -21.148 10.763 -3.323 1.00 0.00 H new ATOM 0 HG2 MET A 419 -23.414 11.666 -3.768 1.00 0.00 H new ATOM 0 HG3 MET A 419 -22.950 11.788 -2.082 1.00 0.00 H new ATOM 0 HE1 MET A 419 -25.368 14.814 -2.526 1.00 0.00 H new ATOM 0 HE2 MET A 419 -25.477 13.217 -3.304 1.00 0.00 H new ATOM 0 HE3 MET A 419 -24.990 13.344 -1.597 1.00 0.00 H new ATOM 822 N LEU A 420 -18.185 11.661 -3.424 1.00 0.00 N ATOM 823 CA LEU A 420 -16.923 10.930 -3.362 1.00 0.00 C ATOM 824 C LEU A 420 -16.026 11.517 -2.269 1.00 0.00 C ATOM 825 O LEU A 420 -15.520 10.782 -1.421 1.00 0.00 O ATOM 826 CB LEU A 420 -16.233 10.979 -4.732 1.00 0.00 C ATOM 827 CG LEU A 420 -16.981 10.136 -5.777 1.00 0.00 C ATOM 828 CD1 LEU A 420 -16.714 10.657 -7.188 1.00 0.00 C ATOM 829 CD2 LEU A 420 -16.519 8.677 -5.735 1.00 0.00 C ATOM 0 H LEU A 420 -18.384 12.055 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 420 -17.118 9.887 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -16.174 12.013 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -15.210 10.616 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 420 -18.042 10.206 -5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -17.254 10.045 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -17.052 11.691 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -15.645 10.608 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 420 -17.063 8.101 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 420 -15.451 8.627 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 420 -16.714 8.262 -4.746 1.00 0.00 H new ATOM 841 N LYS A 421 -15.856 12.843 -2.284 1.00 0.00 N ATOM 842 CA LYS A 421 -15.072 13.593 -1.315 1.00 0.00 C ATOM 843 C LYS A 421 -15.525 13.259 0.104 1.00 0.00 C ATOM 844 O LYS A 421 -14.695 12.918 0.945 1.00 0.00 O ATOM 845 CB LYS A 421 -15.219 15.096 -1.622 1.00 0.00 C ATOM 846 CG LYS A 421 -14.849 16.035 -0.467 1.00 0.00 C ATOM 847 CD LYS A 421 -15.057 17.494 -0.897 1.00 0.00 C ATOM 848 CE LYS A 421 -15.279 18.428 0.302 1.00 0.00 C ATOM 849 NZ LYS A 421 -16.608 18.236 0.920 1.00 0.00 N ATOM 0 H LYS A 421 -16.277 13.438 -2.998 1.00 0.00 H new ATOM 0 HA LYS A 421 -14.019 13.321 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -14.594 15.338 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -16.251 15.292 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -15.463 15.812 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -13.811 15.877 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -14.188 17.832 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -15.915 17.555 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -14.504 18.250 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -15.177 19.464 -0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -16.797 19.013 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -17.338 18.230 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -16.626 17.330 1.431 1.00 0.00 H new ATOM 863 N ASP A 422 -16.830 13.376 0.367 1.00 0.00 N ATOM 864 CA ASP A 422 -17.413 13.120 1.674 1.00 0.00 C ATOM 865 C ASP A 422 -17.145 11.691 2.146 1.00 0.00 C ATOM 866 O ASP A 422 -16.567 11.487 3.213 1.00 0.00 O ATOM 867 CB ASP A 422 -18.913 13.424 1.634 1.00 0.00 C ATOM 868 CG ASP A 422 -19.536 13.186 3.002 1.00 0.00 C ATOM 869 OD1 ASP A 422 -19.350 14.074 3.862 1.00 0.00 O ATOM 870 OD2 ASP A 422 -20.160 12.116 3.164 1.00 0.00 O ATOM 0 H ASP A 422 -17.515 13.655 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 422 -16.938 13.780 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -19.074 14.458 1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -19.399 12.793 0.890 1.00 0.00 H new ATOM 875 N ARG A 423 -17.566 10.699 1.357 1.00 0.00 N ATOM 876 CA ARG A 423 -17.388 9.295 1.701 1.00 0.00 C ATOM 877 C ARG A 423 -15.913 8.986 1.983 1.00 0.00 C ATOM 878 O ARG A 423 -15.596 8.384 3.012 1.00 0.00 O ATOM 879 CB ARG A 423 -18.074 8.390 0.647 1.00 0.00 C ATOM 880 CG ARG A 423 -17.201 7.368 -0.097 1.00 0.00 C ATOM 881 CD ARG A 423 -16.787 6.170 0.763 1.00 0.00 C ATOM 882 NE ARG A 423 -17.797 5.100 0.800 1.00 0.00 N ATOM 883 CZ ARG A 423 -18.566 4.776 1.853 1.00 0.00 C ATOM 884 NH1 ARG A 423 -18.750 5.629 2.868 1.00 0.00 N ATOM 885 NH2 ARG A 423 -19.153 3.578 1.915 1.00 0.00 N ATOM 0 H ARG A 423 -18.038 10.851 0.466 1.00 0.00 H new ATOM 0 HA ARG A 423 -17.896 9.067 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -18.877 7.846 1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -18.540 9.036 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -17.744 7.007 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -16.304 7.868 -0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -15.851 5.763 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -16.593 6.512 1.780 1.00 0.00 H new ATOM 0 HE ARG A 423 -17.925 4.554 -0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -18.302 6.545 2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -19.338 5.363 3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -19.018 2.904 1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -19.736 3.337 2.716 1.00 0.00 H new ATOM 899 N TRP A 424 -15.009 9.389 1.083 1.00 0.00 N ATOM 900 CA TRP A 424 -13.594 9.117 1.232 1.00 0.00 C ATOM 901 C TRP A 424 -12.991 9.793 2.459 1.00 0.00 C ATOM 902 O TRP A 424 -12.323 9.128 3.248 1.00 0.00 O ATOM 903 CB TRP A 424 -12.833 9.515 -0.032 1.00 0.00 C ATOM 904 CG TRP A 424 -11.404 9.076 -0.003 1.00 0.00 C ATOM 905 CD1 TRP A 424 -10.335 9.882 0.162 1.00 0.00 C ATOM 906 CD2 TRP A 424 -10.872 7.725 -0.130 1.00 0.00 C ATOM 907 NE1 TRP A 424 -9.176 9.135 0.143 1.00 0.00 N ATOM 908 CE2 TRP A 424 -9.451 7.792 -0.034 1.00 0.00 C ATOM 909 CE3 TRP A 424 -11.446 6.451 -0.316 1.00 0.00 C ATOM 910 CZ2 TRP A 424 -8.642 6.647 -0.121 1.00 0.00 C ATOM 911 CZ3 TRP A 424 -10.645 5.298 -0.405 1.00 0.00 C ATOM 912 CH2 TRP A 424 -9.246 5.393 -0.310 1.00 0.00 C ATOM 0 H TRP A 424 -15.246 9.910 0.239 1.00 0.00 H new ATOM 0 HA TRP A 424 -13.493 8.042 1.383 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -13.326 9.079 -0.901 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -12.875 10.598 -0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -10.380 10.953 0.290 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -8.238 9.523 0.246 1.00 0.00 H new ATOM 0 HE3 TRP A 424 -12.519 6.359 -0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -7.568 6.730 -0.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 -11.108 4.333 -0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 424 -8.637 4.504 -0.382 1.00 0.00 H new ATOM 923 N ARG A 425 -13.205 11.105 2.624 1.00 0.00 N ATOM 924 CA ARG A 425 -12.642 11.821 3.760 1.00 0.00 C ATOM 925 C ARG A 425 -13.158 11.249 5.081 1.00 0.00 C ATOM 926 O ARG A 425 -12.408 11.205 6.050 1.00 0.00 O ATOM 927 CB ARG A 425 -12.807 13.342 3.636 1.00 0.00 C ATOM 928 CG ARG A 425 -14.202 13.854 4.013 1.00 0.00 C ATOM 929 CD ARG A 425 -14.399 15.329 3.648 1.00 0.00 C ATOM 930 NE ARG A 425 -13.515 16.219 4.420 1.00 0.00 N ATOM 931 CZ ARG A 425 -12.325 16.707 4.024 1.00 0.00 C ATOM 932 NH1 ARG A 425 -11.798 16.369 2.839 1.00 0.00 N ATOM 933 NH2 ARG A 425 -11.657 17.545 4.827 1.00 0.00 N ATOM 0 H ARG A 425 -13.758 11.681 1.989 1.00 0.00 H new ATOM 0 HA ARG A 425 -11.564 11.659 3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -12.069 13.830 4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -12.588 13.638 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -14.956 13.253 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -14.357 13.723 5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -14.209 15.466 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -15.437 15.609 3.825 1.00 0.00 H new ATOM 0 HE ARG A 425 -13.837 16.493 5.348 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -12.300 15.732 2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -10.895 16.749 2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -12.051 17.808 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -10.754 17.920 4.535 1.00 0.00 H new ATOM 947 N THR A 426 -14.418 10.795 5.120 1.00 0.00 N ATOM 948 CA THR A 426 -14.991 10.196 6.316 1.00 0.00 C ATOM 949 C THR A 426 -14.224 8.912 6.650 1.00 0.00 C ATOM 950 O THR A 426 -13.673 8.800 7.743 1.00 0.00 O ATOM 951 CB THR A 426 -16.498 9.962 6.127 1.00 0.00 C ATOM 952 OG1 THR A 426 -17.135 11.206 5.931 1.00 0.00 O ATOM 953 CG2 THR A 426 -17.129 9.299 7.355 1.00 0.00 C ATOM 0 H THR A 426 -15.058 10.835 4.327 1.00 0.00 H new ATOM 0 HA THR A 426 -14.890 10.872 7.165 1.00 0.00 H new ATOM 0 HB THR A 426 -16.626 9.305 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 426 -17.036 11.480 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 426 -18.195 9.151 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 426 -16.653 8.335 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 426 -16.989 9.939 8.226 1.00 0.00 H new ATOM 961 N MET A 427 -14.174 7.954 5.715 1.00 0.00 N ATOM 962 CA MET A 427 -13.463 6.687 5.895 1.00 0.00 C ATOM 963 C MET A 427 -12.008 6.922 6.318 1.00 0.00 C ATOM 964 O MET A 427 -11.523 6.323 7.280 1.00 0.00 O ATOM 965 CB MET A 427 -13.526 5.882 4.587 1.00 0.00 C ATOM 966 CG MET A 427 -14.858 5.133 4.469 1.00 0.00 C ATOM 967 SD MET A 427 -15.173 4.299 2.888 1.00 0.00 S ATOM 968 CE MET A 427 -13.908 3.009 2.865 1.00 0.00 C ATOM 0 H MET A 427 -14.630 8.040 4.807 1.00 0.00 H new ATOM 0 HA MET A 427 -13.945 6.122 6.692 1.00 0.00 H new ATOM 0 HB2 MET A 427 -13.405 6.553 3.736 1.00 0.00 H new ATOM 0 HB3 MET A 427 -12.700 5.171 4.553 1.00 0.00 H new ATOM 0 HG2 MET A 427 -14.904 4.388 5.264 1.00 0.00 H new ATOM 0 HG3 MET A 427 -15.666 5.842 4.649 1.00 0.00 H new ATOM 0 HE1 MET A 427 -13.996 2.429 1.946 1.00 0.00 H new ATOM 0 HE2 MET A 427 -12.920 3.467 2.911 1.00 0.00 H new ATOM 0 HE3 MET A 427 -14.043 2.351 3.724 1.00 0.00 H new ATOM 978 N LYS A 428 -11.320 7.804 5.587 1.00 0.00 N ATOM 979 CA LYS A 428 -9.933 8.158 5.830 1.00 0.00 C ATOM 980 C LYS A 428 -9.749 8.747 7.231 1.00 0.00 C ATOM 981 O LYS A 428 -8.856 8.318 7.959 1.00 0.00 O ATOM 982 CB LYS A 428 -9.441 9.065 4.694 1.00 0.00 C ATOM 983 CG LYS A 428 -7.945 9.388 4.794 1.00 0.00 C ATOM 984 CD LYS A 428 -7.373 9.719 3.410 1.00 0.00 C ATOM 985 CE LYS A 428 -5.936 10.245 3.530 1.00 0.00 C ATOM 986 NZ LYS A 428 -5.255 10.290 2.222 1.00 0.00 N ATOM 0 H LYS A 428 -11.728 8.299 4.794 1.00 0.00 H new ATOM 0 HA LYS A 428 -9.306 7.266 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -9.640 8.581 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -10.010 9.995 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -7.793 10.231 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -7.411 8.539 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -7.389 8.828 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -7.999 10.465 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -5.950 11.244 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -5.372 9.608 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.430 9.657 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -5.913 9.983 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.941 11.262 2.027 1.00 0.00 H new ATOM 1000 N LYS A 429 -10.588 9.711 7.629 1.00 0.00 N ATOM 1001 CA LYS A 429 -10.525 10.355 8.939 1.00 0.00 C ATOM 1002 C LYS A 429 -11.269 9.539 10.011 1.00 0.00 C ATOM 1003 O LYS A 429 -11.954 10.104 10.862 1.00 0.00 O ATOM 1004 CB LYS A 429 -11.068 11.788 8.820 1.00 0.00 C ATOM 1005 CG LYS A 429 -10.640 12.677 10.002 1.00 0.00 C ATOM 1006 CD LYS A 429 -11.727 13.687 10.398 1.00 0.00 C ATOM 1007 CE LYS A 429 -12.884 13.000 11.142 1.00 0.00 C ATOM 1008 NZ LYS A 429 -13.897 13.966 11.604 1.00 0.00 N ATOM 0 H LYS A 429 -11.339 10.068 7.039 1.00 0.00 H new ATOM 0 HA LYS A 429 -9.486 10.401 9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -10.715 12.231 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -12.156 11.758 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -10.403 12.047 10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -9.728 13.213 9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -11.294 14.461 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -12.109 14.182 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -13.354 12.269 10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -12.490 12.452 11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -14.658 13.460 12.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -13.455 14.649 12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -14.293 14.472 10.786 1.00 0.00 H new