USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 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 391 THR OG1 : rot -91:sc= 2.03 USER MOD Set 1.2: A 393 HIS : no HD1:sc= -1.84 K(o=0.19,f=1.5) USER MOD Set 2.1: A 378 ASN : amide:sc= -5.83! K(o=-5.5!,f=-2.2) USER MOD Set 2.2: A 383 TYR OH : rot 180:sc= 0.289 USER MOD Single : A 376 SER OG : rot 59:sc= 0.439 USER MOD Single : A 381 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.641) USER MOD Single : A 396 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.048) USER MOD Single : A 399 GLN : amide:sc= -1.03! K(o=-1!,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0.00385 USER MOD Single : A 403 THR OG1 : rot -170:sc= -2.52! USER MOD Single : A 405 ASN : amide:sc= -3.03! C(o=-3!,f=-7.9!) USER MOD Single : A 412 TYR OH : rot 146:sc= 0.504 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HD1:sc= -0.652 K(o=-0.65,f=-3!) USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= 0.0298 K(o=0.03,f=-2.4!) USER MOD Single : A 430 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-4!) USER MOD Single : A 433 SER OG : rot -11:sc= 0.786 USER MOD Single : A 435 ASN : amide:sc= -3.12! C(o=-3.1!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -6.133 -8.263 4.459 1.00 1.42 N ATOM 158 CA ILE A 373 -6.469 -7.207 5.411 1.00 1.22 C ATOM 159 C ILE A 373 -7.910 -6.728 5.254 1.00 1.13 C ATOM 160 O ILE A 373 -8.349 -6.387 4.155 1.00 1.20 O ATOM 161 CB ILE A 373 -5.522 -5.998 5.258 1.00 1.16 C ATOM 162 CG1 ILE A 373 -4.085 -6.403 5.593 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.976 -4.844 6.142 1.00 1.26 C ATOM 164 CD1 ILE A 373 -3.083 -5.277 5.442 1.00 1.48 C ATOM 0 HA ILE A 373 -6.352 -7.642 6.404 1.00 1.22 H new ATOM 0 HB ILE A 373 -5.554 -5.663 4.221 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -4.051 -6.773 6.618 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.790 -7.229 4.946 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -5.295 -4.002 6.019 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.983 -4.541 5.856 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.975 -5.162 7.185 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -2.087 -5.640 5.697 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -3.087 -4.922 4.412 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -3.352 -4.458 6.109 1.00 1.48 H new ATOM 176 N ASP A 374 -8.632 -6.694 6.372 1.00 1.16 N ATOM 177 CA ASP A 374 -10.019 -6.242 6.380 1.00 1.17 C ATOM 178 C ASP A 374 -10.094 -4.738 6.618 1.00 1.03 C ATOM 179 O ASP A 374 -9.473 -4.217 7.543 1.00 1.25 O ATOM 180 CB ASP A 374 -10.811 -6.976 7.465 1.00 1.40 C ATOM 181 CG ASP A 374 -10.931 -8.462 7.189 1.00 1.77 C ATOM 182 OD1 ASP A 374 -11.496 -8.826 6.136 1.00 2.04 O ATOM 183 OD2 ASP A 374 -10.462 -9.261 8.027 1.00 2.17 O ATOM 0 H ASP A 374 -8.277 -6.975 7.286 1.00 1.16 H new ATOM 0 HA ASP A 374 -10.454 -6.465 5.406 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -10.325 -6.827 8.429 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -11.808 -6.542 7.540 1.00 1.40 H new ATOM 188 N ILE A 375 -10.855 -4.045 5.781 1.00 0.84 N ATOM 189 CA ILE A 375 -11.006 -2.602 5.911 1.00 0.76 C ATOM 190 C ILE A 375 -12.043 -2.245 6.967 1.00 0.76 C ATOM 191 O ILE A 375 -11.834 -1.337 7.769 1.00 0.79 O ATOM 192 CB ILE A 375 -11.407 -1.950 4.578 1.00 0.77 C ATOM 193 CG1 ILE A 375 -10.305 -2.159 3.538 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.690 -0.469 4.786 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.655 -1.628 2.165 1.00 0.92 C ATOM 0 H ILE A 375 -11.376 -4.457 5.007 1.00 0.84 H new ATOM 0 HA ILE A 375 -10.033 -2.217 6.216 1.00 0.76 H new ATOM 0 HB ILE A 375 -12.317 -2.422 4.207 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -9.394 -1.672 3.885 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -10.088 -3.224 3.461 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.973 -0.016 3.836 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.504 -0.351 5.501 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.796 0.022 5.170 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.826 -1.812 1.482 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -11.548 -2.133 1.797 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.843 -0.556 2.227 1.00 0.92 H new ATOM 207 N SER A 376 -13.164 -2.959 6.947 1.00 0.79 N ATOM 208 CA SER A 376 -14.250 -2.722 7.893 1.00 0.87 C ATOM 209 C SER A 376 -13.821 -3.049 9.318 1.00 0.96 C ATOM 210 O SER A 376 -14.221 -4.066 9.885 1.00 1.54 O ATOM 211 CB SER A 376 -15.475 -3.546 7.509 1.00 0.95 C ATOM 212 OG SER A 376 -15.171 -4.930 7.465 1.00 1.71 O ATOM 0 H SER A 376 -13.345 -3.711 6.282 1.00 0.79 H new ATOM 0 HA SER A 376 -14.507 -1.663 7.852 1.00 0.87 H new ATOM 0 HB2 SER A 376 -16.275 -3.370 8.228 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.844 -3.221 6.536 1.00 0.95 H new ATOM 0 HG SER A 376 -14.846 -5.222 8.342 1.00 1.71 H new ATOM 218 N GLU A 377 -13.004 -2.172 9.885 1.00 0.93 N ATOM 219 CA GLU A 377 -12.506 -2.341 11.239 1.00 1.03 C ATOM 220 C GLU A 377 -11.721 -1.109 11.661 1.00 0.87 C ATOM 221 O GLU A 377 -11.631 -0.784 12.845 1.00 0.93 O ATOM 222 CB GLU A 377 -11.624 -3.586 11.340 1.00 1.18 C ATOM 223 CG GLU A 377 -10.363 -3.519 10.494 1.00 1.28 C ATOM 224 CD GLU A 377 -9.441 -4.698 10.734 1.00 1.54 C ATOM 225 OE1 GLU A 377 -8.970 -4.859 11.880 1.00 1.90 O ATOM 226 OE2 GLU A 377 -9.190 -5.462 9.779 1.00 1.92 O ATOM 0 H GLU A 377 -12.670 -1.328 9.420 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.358 -2.469 11.907 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -11.343 -3.736 12.382 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -12.206 -4.457 11.038 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.638 -3.485 9.440 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.830 -2.594 10.714 1.00 1.28 H new ATOM 233 N ASN A 378 -11.157 -0.427 10.671 1.00 0.71 N ATOM 234 CA ASN A 378 -10.373 0.780 10.916 1.00 0.61 C ATOM 235 C ASN A 378 -10.135 1.563 9.623 1.00 0.58 C ATOM 236 O ASN A 378 -8.991 1.816 9.246 1.00 0.59 O ATOM 237 CB ASN A 378 -9.033 0.426 11.580 1.00 0.62 C ATOM 238 CG ASN A 378 -8.244 -0.628 10.820 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.305 -1.214 11.355 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.602 -0.856 9.562 1.00 2.14 N ATOM 0 H ASN A 378 -11.228 -0.689 9.688 1.00 0.71 H new ATOM 0 HA ASN A 378 -10.944 1.415 11.593 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.429 1.329 11.667 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.221 0.069 12.593 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -8.091 -1.539 9.002 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -9.388 -0.348 9.155 1.00 2.14 H new ATOM 247 N PRO A 379 -11.214 1.967 8.923 1.00 0.62 N ATOM 248 CA PRO A 379 -11.097 2.728 7.675 1.00 0.65 C ATOM 249 C PRO A 379 -10.235 3.972 7.855 1.00 0.61 C ATOM 250 O PRO A 379 -9.443 4.326 6.980 1.00 0.62 O ATOM 251 CB PRO A 379 -12.541 3.120 7.353 1.00 0.77 C ATOM 252 CG PRO A 379 -13.377 2.101 8.048 1.00 0.85 C ATOM 253 CD PRO A 379 -12.621 1.724 9.292 1.00 0.75 C ATOM 0 HA PRO A 379 -10.619 2.151 6.883 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.766 4.125 7.708 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.722 3.114 6.278 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.359 2.505 8.295 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.541 1.231 7.412 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.923 2.331 10.145 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.791 0.683 9.565 1.00 0.75 H new ATOM 261 N ASP A 380 -10.394 4.623 9.001 1.00 0.62 N ATOM 262 CA ASP A 380 -9.634 5.824 9.319 1.00 0.64 C ATOM 263 C ASP A 380 -8.141 5.517 9.410 1.00 0.55 C ATOM 264 O ASP A 380 -7.306 6.362 9.088 1.00 0.55 O ATOM 265 CB ASP A 380 -10.124 6.425 10.637 1.00 0.75 C ATOM 266 CG ASP A 380 -11.575 6.856 10.569 1.00 0.86 C ATOM 267 OD1 ASP A 380 -11.899 7.723 9.729 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.389 6.327 11.355 1.00 1.20 O ATOM 0 H ASP A 380 -11.047 4.336 9.730 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.789 6.546 8.517 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.002 5.693 11.435 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.504 7.284 10.895 1.00 0.75 H new ATOM 273 N LYS A 381 -7.815 4.305 9.857 1.00 0.51 N ATOM 274 CA LYS A 381 -6.422 3.888 9.997 1.00 0.47 C ATOM 275 C LYS A 381 -5.636 4.159 8.718 1.00 0.39 C ATOM 276 O LYS A 381 -6.033 3.738 7.632 1.00 0.37 O ATOM 277 CB LYS A 381 -6.340 2.399 10.346 1.00 0.50 C ATOM 278 CG LYS A 381 -4.917 1.885 10.482 1.00 0.52 C ATOM 279 CD LYS A 381 -4.876 0.379 10.674 1.00 0.59 C ATOM 280 CE LYS A 381 -3.447 -0.132 10.756 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.390 -1.619 10.809 1.00 1.66 N ATOM 0 H LYS A 381 -8.496 3.596 10.128 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.981 4.471 10.806 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.872 2.223 11.281 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.853 1.825 9.575 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.347 2.153 9.592 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.434 2.372 11.329 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.412 0.112 11.585 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.391 -0.109 9.847 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -2.885 0.222 9.892 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.964 0.281 11.641 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.525 -1.916 11.304 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -4.222 -1.980 11.318 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.384 -2.001 9.842 1.00 1.66 H new ATOM 295 N ILE A 382 -4.514 4.861 8.857 1.00 0.40 N ATOM 296 CA ILE A 382 -3.668 5.184 7.715 1.00 0.35 C ATOM 297 C ILE A 382 -2.731 4.025 7.392 1.00 0.34 C ATOM 298 O ILE A 382 -2.012 3.541 8.265 1.00 0.41 O ATOM 299 CB ILE A 382 -2.823 6.447 7.980 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.724 7.627 8.362 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.976 6.790 6.763 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.739 7.991 7.299 1.00 0.37 C ATOM 0 H ILE A 382 -4.171 5.216 9.750 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.330 5.369 6.869 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.153 6.243 8.815 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.250 7.386 9.286 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.100 8.497 8.568 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.387 7.684 6.970 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.307 5.959 6.539 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.626 6.973 5.907 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.339 8.834 7.642 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.221 8.265 6.380 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.389 7.137 7.109 1.00 0.37 H new ATOM 314 N TYR A 383 -2.732 3.587 6.136 1.00 0.30 N ATOM 315 CA TYR A 383 -1.866 2.491 5.723 1.00 0.30 C ATOM 316 C TYR A 383 -0.652 3.019 4.968 1.00 0.28 C ATOM 317 O TYR A 383 -0.752 3.984 4.213 1.00 0.25 O ATOM 318 CB TYR A 383 -2.631 1.482 4.858 1.00 0.32 C ATOM 319 CG TYR A 383 -3.725 0.750 5.602 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.847 1.423 6.067 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.633 -0.617 5.838 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.849 0.755 6.745 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.630 -1.291 6.516 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.735 -0.602 6.966 1.00 0.52 C ATOM 325 OH TYR A 383 -6.730 -1.271 7.640 1.00 0.63 O ATOM 0 H TYR A 383 -3.317 3.971 5.394 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.522 1.980 6.622 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -3.069 2.004 4.007 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.927 0.753 4.456 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.938 2.485 5.896 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.769 -1.160 5.486 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.716 1.292 7.100 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.544 -2.353 6.693 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.496 -2.220 7.711 1.00 0.63 H new ATOM 335 N PHE A 384 0.493 2.382 5.178 1.00 0.31 N ATOM 336 CA PHE A 384 1.726 2.789 4.514 1.00 0.30 C ATOM 337 C PHE A 384 1.908 2.012 3.215 1.00 0.28 C ATOM 338 O PHE A 384 1.622 0.816 3.157 1.00 0.33 O ATOM 339 CB PHE A 384 2.934 2.570 5.431 1.00 0.40 C ATOM 340 CG PHE A 384 2.871 3.332 6.728 1.00 0.48 C ATOM 341 CD1 PHE A 384 1.854 3.104 7.642 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.840 4.275 7.034 1.00 0.57 C ATOM 343 CE1 PHE A 384 1.804 3.803 8.834 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.796 4.975 8.225 1.00 0.64 C ATOM 345 CZ PHE A 384 2.776 4.739 9.125 1.00 0.74 C ATOM 0 H PHE A 384 0.594 1.582 5.802 1.00 0.31 H new ATOM 0 HA PHE A 384 1.655 3.852 4.284 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.020 1.506 5.652 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.839 2.859 4.896 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.092 2.372 7.420 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.639 4.465 6.333 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.005 3.617 9.537 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.559 5.706 8.451 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.739 5.286 10.055 1.00 0.74 H new ATOM 355 N ILE A 385 2.377 2.690 2.172 1.00 0.26 N ATOM 356 CA ILE A 385 2.583 2.042 0.881 1.00 0.27 C ATOM 357 C ILE A 385 3.943 2.401 0.298 1.00 0.24 C ATOM 358 O ILE A 385 4.282 3.576 0.165 1.00 0.30 O ATOM 359 CB ILE A 385 1.498 2.432 -0.148 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.113 2.501 0.501 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.492 1.439 -1.302 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.107 3.749 1.326 1.00 0.32 C ATOM 0 H ILE A 385 2.620 3.680 2.194 1.00 0.26 H new ATOM 0 HA ILE A 385 2.526 0.970 1.070 1.00 0.27 H new ATOM 0 HB ILE A 385 1.736 3.424 -0.531 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.647 2.452 -0.279 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.025 1.626 1.136 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.724 1.722 -2.022 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.466 1.443 -1.790 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.281 0.440 -0.921 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.109 3.730 1.755 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.630 3.790 2.128 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.001 4.628 0.691 1.00 0.32 H new ATOM 374 N ARG A 386 4.711 1.380 -0.058 1.00 0.29 N ATOM 375 CA ARG A 386 6.030 1.580 -0.640 1.00 0.30 C ATOM 376 C ARG A 386 5.912 1.922 -2.120 1.00 0.33 C ATOM 377 O ARG A 386 5.437 1.108 -2.912 1.00 0.42 O ATOM 378 CB ARG A 386 6.866 0.310 -0.467 1.00 0.38 C ATOM 379 CG ARG A 386 8.288 0.426 -0.993 1.00 0.50 C ATOM 380 CD ARG A 386 9.030 -0.895 -0.862 1.00 1.02 C ATOM 381 NE ARG A 386 10.412 -0.804 -1.330 1.00 1.40 N ATOM 382 CZ ARG A 386 11.344 -0.055 -0.748 1.00 1.86 C ATOM 383 NH1 ARG A 386 11.050 0.668 0.324 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.577 -0.032 -1.237 1.00 2.39 N ATOM 0 H ARG A 386 4.441 0.402 0.047 1.00 0.29 H new ATOM 0 HA ARG A 386 6.518 2.409 -0.128 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.902 0.053 0.592 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.367 -0.513 -0.978 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.268 0.733 -2.039 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.820 1.202 -0.443 1.00 0.50 H new ATOM 0 HD2 ARG A 386 9.022 -1.212 0.181 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.505 -1.662 -1.432 1.00 1.02 H new ATOM 0 HE ARG A 386 10.677 -1.347 -2.152 1.00 1.40 H new ATOM 0 HH11 ARG A 386 10.105 0.652 0.707 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.769 1.241 0.766 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.810 -0.589 -2.059 1.00 2.39 H new ATOM 0 HH22 ARG A 386 13.292 0.542 -0.791 1.00 2.39 H new ATOM 398 N ARG A 387 6.348 3.121 -2.498 1.00 0.41 N ATOM 399 CA ARG A 387 6.281 3.530 -3.895 1.00 0.51 C ATOM 400 C ARG A 387 7.281 2.736 -4.724 1.00 0.49 C ATOM 401 O ARG A 387 8.267 2.224 -4.196 1.00 0.47 O ATOM 402 CB ARG A 387 6.532 5.029 -4.045 1.00 0.63 C ATOM 403 CG ARG A 387 5.532 5.891 -3.292 1.00 0.84 C ATOM 404 CD ARG A 387 5.543 7.324 -3.798 1.00 0.94 C ATOM 405 NE ARG A 387 6.881 7.906 -3.783 1.00 1.32 N ATOM 406 CZ ARG A 387 7.153 9.138 -4.206 1.00 1.79 C ATOM 407 NH1 ARG A 387 6.179 9.916 -4.662 1.00 2.30 N ATOM 408 NH2 ARG A 387 8.397 9.594 -4.174 1.00 2.25 N ATOM 0 H ARG A 387 6.746 3.816 -1.866 1.00 0.41 H new ATOM 0 HA ARG A 387 5.276 3.322 -4.261 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.537 5.258 -3.690 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.501 5.290 -5.103 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.532 5.472 -3.403 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.767 5.878 -2.228 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.149 7.351 -4.814 1.00 0.94 H new ATOM 0 HD3 ARG A 387 4.879 7.930 -3.182 1.00 0.94 H new ATOM 0 HE ARG A 387 7.650 7.337 -3.429 1.00 1.32 H new ATOM 0 HH11 ARG A 387 5.220 9.570 -4.689 1.00 2.30 H new ATOM 0 HH12 ARG A 387 6.390 10.860 -4.986 1.00 2.30 H new ATOM 0 HH21 ARG A 387 9.149 9.000 -3.824 1.00 2.25 H new ATOM 0 HH22 ARG A 387 8.602 10.539 -4.499 1.00 2.25 H new ATOM 422 N GLU A 388 7.010 2.617 -6.020 1.00 0.64 N ATOM 423 CA GLU A 388 7.880 1.862 -6.915 1.00 0.69 C ATOM 424 C GLU A 388 9.333 2.300 -6.784 1.00 0.61 C ATOM 425 O GLU A 388 10.227 1.459 -6.692 1.00 0.63 O ATOM 426 CB GLU A 388 7.414 2.008 -8.365 1.00 0.88 C ATOM 427 CG GLU A 388 6.003 1.493 -8.608 1.00 1.58 C ATOM 428 CD GLU A 388 5.566 1.640 -10.053 1.00 2.20 C ATOM 429 OE1 GLU A 388 6.364 2.151 -10.867 1.00 2.82 O ATOM 430 OE2 GLU A 388 4.425 1.243 -10.373 1.00 2.65 O ATOM 0 H GLU A 388 6.196 3.033 -6.473 1.00 0.64 H new ATOM 0 HA GLU A 388 7.818 0.813 -6.626 1.00 0.69 H new ATOM 0 HB2 GLU A 388 7.462 3.059 -8.649 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.104 1.471 -9.015 1.00 0.88 H new ATOM 0 HG2 GLU A 388 5.950 0.443 -8.322 1.00 1.58 H new ATOM 0 HG3 GLU A 388 5.308 2.034 -7.966 1.00 1.58 H new ATOM 437 N ASP A 389 9.570 3.608 -6.755 1.00 0.65 N ATOM 438 CA ASP A 389 10.930 4.113 -6.611 1.00 0.69 C ATOM 439 C ASP A 389 11.539 3.546 -5.337 1.00 0.64 C ATOM 440 O ASP A 389 12.733 3.250 -5.278 1.00 0.91 O ATOM 441 CB ASP A 389 10.956 5.643 -6.584 1.00 0.81 C ATOM 442 CG ASP A 389 10.208 6.223 -5.402 1.00 0.80 C ATOM 443 OD1 ASP A 389 8.988 5.989 -5.300 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.845 6.912 -4.578 1.00 1.23 O ATOM 0 H ASP A 389 8.850 4.327 -6.828 1.00 0.65 H new ATOM 0 HA ASP A 389 11.517 3.793 -7.472 1.00 0.69 H new ATOM 0 HB2 ASP A 389 11.991 5.984 -6.555 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.520 6.025 -7.507 1.00 0.81 H new ATOM 449 N GLY A 390 10.693 3.378 -4.323 1.00 0.55 N ATOM 450 CA GLY A 390 11.139 2.822 -3.063 1.00 0.53 C ATOM 451 C GLY A 390 10.664 3.621 -1.862 1.00 0.55 C ATOM 452 O GLY A 390 10.351 3.054 -0.816 1.00 1.03 O ATOM 0 H GLY A 390 9.703 3.619 -4.356 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.779 1.797 -2.976 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.228 2.779 -3.056 1.00 0.53 H new ATOM 456 N THR A 391 10.623 4.942 -2.012 1.00 0.57 N ATOM 457 CA THR A 391 10.201 5.830 -0.932 1.00 0.54 C ATOM 458 C THR A 391 8.778 5.534 -0.466 1.00 0.41 C ATOM 459 O THR A 391 7.810 5.746 -1.198 1.00 0.44 O ATOM 460 CB THR A 391 10.293 7.309 -1.350 1.00 0.71 C ATOM 461 OG1 THR A 391 9.440 7.559 -2.471 1.00 0.98 O ATOM 462 CG2 THR A 391 11.726 7.682 -1.703 1.00 0.88 C ATOM 0 H THR A 391 10.878 5.423 -2.875 1.00 0.57 H new ATOM 0 HA THR A 391 10.885 5.644 -0.104 1.00 0.54 H new ATOM 0 HB THR A 391 9.970 7.921 -0.508 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.944 7.427 -3.301 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.767 8.731 -1.995 1.00 0.88 H new ATOM 0 HG22 THR A 391 12.368 7.521 -0.837 1.00 0.88 H new ATOM 0 HG23 THR A 391 12.070 7.061 -2.530 1.00 0.88 H new ATOM 470 N VAL A 392 8.664 5.047 0.767 1.00 0.37 N ATOM 471 CA VAL A 392 7.368 4.727 1.356 1.00 0.33 C ATOM 472 C VAL A 392 6.614 6.003 1.728 1.00 0.32 C ATOM 473 O VAL A 392 7.214 6.976 2.183 1.00 0.41 O ATOM 474 CB VAL A 392 7.527 3.847 2.611 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.171 3.517 3.216 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.291 2.577 2.272 1.00 0.52 C ATOM 0 H VAL A 392 9.459 4.865 1.380 1.00 0.37 H new ATOM 0 HA VAL A 392 6.799 4.175 0.608 1.00 0.33 H new ATOM 0 HB VAL A 392 8.098 4.405 3.353 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.309 2.895 4.100 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.664 4.440 3.497 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.568 2.979 2.485 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.396 1.965 3.168 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.747 2.017 1.512 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.279 2.837 1.893 1.00 0.52 H new ATOM 486 N HIS A 393 5.298 5.992 1.532 1.00 0.29 N ATOM 487 CA HIS A 393 4.467 7.153 1.845 1.00 0.31 C ATOM 488 C HIS A 393 3.071 6.729 2.297 1.00 0.27 C ATOM 489 O HIS A 393 2.517 5.746 1.802 1.00 0.26 O ATOM 490 CB HIS A 393 4.365 8.079 0.630 1.00 0.37 C ATOM 491 CG HIS A 393 5.640 8.796 0.311 1.00 0.92 C ATOM 492 ND1 HIS A 393 6.248 9.674 1.185 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.427 8.760 -0.789 1.00 0.94 C ATOM 494 CE1 HIS A 393 7.352 10.146 0.634 1.00 2.43 C ATOM 495 NE2 HIS A 393 7.483 9.608 -0.563 1.00 1.82 N ATOM 0 H HIS A 393 4.784 5.194 1.159 1.00 0.29 H new ATOM 0 HA HIS A 393 4.942 7.691 2.665 1.00 0.31 H new ATOM 0 HB2 HIS A 393 4.061 7.493 -0.238 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.580 8.814 0.809 1.00 0.37 H new ATOM 0 HD2 HIS A 393 6.256 8.173 -1.679 1.00 0.94 H new ATOM 0 HE1 HIS A 393 8.032 10.852 1.087 1.00 2.43 H new ATOM 0 HE2 HIS A 393 8.245 9.792 -1.215 1.00 1.82 H new ATOM 504 N ARG A 394 2.516 7.476 3.248 1.00 0.29 N ATOM 505 CA ARG A 394 1.189 7.188 3.787 1.00 0.28 C ATOM 506 C ARG A 394 0.130 7.136 2.689 1.00 0.26 C ATOM 507 O ARG A 394 0.283 7.749 1.632 1.00 0.32 O ATOM 508 CB ARG A 394 0.793 8.237 4.827 1.00 0.35 C ATOM 509 CG ARG A 394 1.682 8.246 6.056 1.00 0.42 C ATOM 510 CD ARG A 394 1.182 9.239 7.093 1.00 0.52 C ATOM 511 NE ARG A 394 1.197 10.612 6.591 1.00 1.34 N ATOM 512 CZ ARG A 394 0.806 11.664 7.306 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.366 11.502 8.547 1.00 2.41 N ATOM 514 NH2 ARG A 394 0.854 12.880 6.779 1.00 2.96 N ATOM 0 H ARG A 394 2.968 8.290 3.664 1.00 0.29 H new ATOM 0 HA ARG A 394 1.240 6.207 4.259 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.820 9.223 4.363 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.237 8.058 5.136 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.714 7.247 6.492 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.702 8.501 5.768 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.167 8.973 7.390 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.803 9.173 7.986 1.00 0.52 H new ATOM 0 HE ARG A 394 1.526 10.773 5.639 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.327 10.569 8.956 1.00 2.41 H new ATOM 0 HH12 ARG A 394 0.067 12.311 9.092 1.00 2.41 H new ATOM 0 HH21 ARG A 394 1.191 13.009 5.825 1.00 2.96 H new ATOM 0 HH22 ARG A 394 0.554 13.686 7.328 1.00 2.96 H new ATOM 528 N GLY A 395 -0.944 6.398 2.958 1.00 0.23 N ATOM 529 CA GLY A 395 -2.027 6.267 2.002 1.00 0.25 C ATOM 530 C GLY A 395 -3.233 5.559 2.591 1.00 0.23 C ATOM 531 O GLY A 395 -3.102 4.486 3.182 1.00 0.26 O ATOM 0 H GLY A 395 -1.082 5.885 3.829 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.323 7.257 1.654 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.675 5.715 1.130 1.00 0.25 H new ATOM 535 N GLN A 396 -4.410 6.157 2.434 1.00 0.29 N ATOM 536 CA GLN A 396 -5.636 5.567 2.958 1.00 0.34 C ATOM 537 C GLN A 396 -6.213 4.556 1.973 1.00 0.35 C ATOM 538 O GLN A 396 -6.410 4.864 0.799 1.00 0.46 O ATOM 539 CB GLN A 396 -6.671 6.659 3.240 1.00 0.43 C ATOM 540 CG GLN A 396 -6.195 7.712 4.227 1.00 0.50 C ATOM 541 CD GLN A 396 -7.231 8.787 4.476 1.00 0.64 C ATOM 542 OE1 GLN A 396 -7.776 9.375 3.541 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.488 9.061 5.744 1.00 0.61 N ATOM 0 H GLN A 396 -4.540 7.046 1.950 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.394 5.052 3.888 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -6.936 7.147 2.302 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.579 6.196 3.626 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -5.942 7.231 5.172 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.282 8.173 3.849 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.011 8.546 6.484 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.164 9.787 5.982 1.00 0.61 H new ATOM 552 N VAL A 397 -6.499 3.355 2.457 1.00 0.33 N ATOM 553 CA VAL A 397 -7.065 2.311 1.615 1.00 0.33 C ATOM 554 C VAL A 397 -8.584 2.261 1.776 1.00 0.33 C ATOM 555 O VAL A 397 -9.100 2.340 2.892 1.00 0.37 O ATOM 556 CB VAL A 397 -6.413 0.940 1.922 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.421 -0.087 2.403 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.675 0.428 0.698 1.00 0.83 C ATOM 0 H VAL A 397 -6.348 3.080 3.428 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.848 2.548 0.574 1.00 0.33 H new ATOM 0 HB VAL A 397 -5.704 1.093 2.736 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.912 -1.030 2.604 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.897 0.270 3.316 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -8.179 -0.240 1.635 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -5.220 -0.536 0.924 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -6.377 0.313 -0.128 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.898 1.139 0.418 1.00 0.83 H new ATOM 568 N LEU A 398 -9.299 2.171 0.655 1.00 0.36 N ATOM 569 CA LEU A 398 -10.760 2.158 0.688 1.00 0.40 C ATOM 570 C LEU A 398 -11.360 0.890 0.076 1.00 0.41 C ATOM 571 O LEU A 398 -12.310 0.329 0.622 1.00 0.47 O ATOM 572 CB LEU A 398 -11.300 3.385 -0.049 1.00 0.46 C ATOM 573 CG LEU A 398 -10.816 4.732 0.493 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.301 5.869 -0.392 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.289 4.933 1.926 1.00 1.45 C ATOM 0 H LEU A 398 -8.894 2.107 -0.279 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.055 2.178 1.737 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -11.019 3.311 -1.100 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.389 3.364 -0.008 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.726 4.732 0.487 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.947 6.819 0.009 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.913 5.735 -1.402 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.391 5.870 -0.419 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.935 5.896 2.294 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.378 4.911 1.956 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.893 4.136 2.555 1.00 1.45 H new ATOM 587 N GLN A 399 -10.832 0.457 -1.067 1.00 0.39 N ATOM 588 CA GLN A 399 -11.363 -0.728 -1.742 1.00 0.43 C ATOM 589 C GLN A 399 -10.297 -1.798 -1.953 1.00 0.38 C ATOM 590 O GLN A 399 -9.120 -1.588 -1.665 1.00 0.35 O ATOM 591 CB GLN A 399 -11.966 -0.338 -3.092 1.00 0.49 C ATOM 592 CG GLN A 399 -13.074 0.699 -2.988 1.00 0.60 C ATOM 593 CD GLN A 399 -13.659 1.088 -4.337 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.579 1.902 -4.410 1.00 2.08 O ATOM 595 NE2 GLN A 399 -13.131 0.511 -5.413 1.00 2.04 N ATOM 0 H GLN A 399 -10.046 0.902 -1.542 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.134 -1.147 -1.095 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.176 0.050 -3.735 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.360 -1.231 -3.576 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.870 0.309 -2.353 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.683 1.591 -2.498 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -12.369 -0.159 -5.310 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -13.488 0.739 -6.341 1.00 2.04 H new ATOM 604 N SER A 400 -10.732 -2.948 -2.464 1.00 0.42 N ATOM 605 CA SER A 400 -9.836 -4.068 -2.732 1.00 0.41 C ATOM 606 C SER A 400 -10.525 -5.109 -3.613 1.00 0.47 C ATOM 607 O SER A 400 -11.731 -5.327 -3.496 1.00 0.54 O ATOM 608 CB SER A 400 -9.376 -4.710 -1.421 1.00 0.47 C ATOM 609 OG SER A 400 -10.473 -5.242 -0.700 1.00 0.56 O ATOM 0 H SER A 400 -11.707 -3.128 -2.702 1.00 0.42 H new ATOM 0 HA SER A 400 -8.963 -3.687 -3.262 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.658 -5.502 -1.633 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.861 -3.968 -0.810 1.00 0.47 H new ATOM 0 HG SER A 400 -10.152 -5.648 0.132 1.00 0.56 H new ATOM 615 N ARG A 401 -9.759 -5.746 -4.496 1.00 0.51 N ATOM 616 CA ARG A 401 -10.311 -6.761 -5.394 1.00 0.60 C ATOM 617 C ARG A 401 -9.310 -7.896 -5.613 1.00 0.73 C ATOM 618 O ARG A 401 -8.124 -7.656 -5.836 1.00 0.86 O ATOM 619 CB ARG A 401 -10.691 -6.132 -6.738 1.00 0.65 C ATOM 620 CG ARG A 401 -9.496 -5.696 -7.568 1.00 0.72 C ATOM 621 CD ARG A 401 -9.927 -5.126 -8.910 1.00 0.91 C ATOM 622 NE ARG A 401 -8.780 -4.759 -9.736 1.00 1.02 N ATOM 623 CZ ARG A 401 -8.885 -4.242 -10.957 1.00 1.25 C ATOM 624 NH1 ARG A 401 -10.080 -4.029 -11.489 1.00 1.55 N ATOM 625 NH2 ARG A 401 -7.793 -3.939 -11.645 1.00 1.43 N ATOM 0 H ARG A 401 -8.759 -5.579 -4.610 1.00 0.51 H new ATOM 0 HA ARG A 401 -11.206 -7.174 -4.929 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.278 -6.849 -7.312 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.331 -5.268 -6.557 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -8.925 -4.947 -7.020 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.834 -6.547 -7.729 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.536 -5.860 -9.438 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.554 -4.249 -8.748 1.00 0.91 H new ATOM 0 HE ARG A 401 -7.846 -4.908 -9.355 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -10.922 -4.262 -10.962 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -10.158 -3.632 -12.426 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -6.872 -4.102 -11.238 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -7.874 -3.543 -12.581 1.00 1.43 H new ATOM 639 N THR A 402 -9.795 -9.134 -5.537 1.00 0.82 N ATOM 640 CA THR A 402 -8.943 -10.304 -5.718 1.00 0.99 C ATOM 641 C THR A 402 -9.044 -10.875 -7.130 1.00 1.16 C ATOM 642 O THR A 402 -9.011 -12.093 -7.316 1.00 1.79 O ATOM 643 CB THR A 402 -9.294 -11.405 -4.703 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.712 -11.605 -4.665 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.780 -11.044 -3.318 1.00 1.29 C ATOM 0 H THR A 402 -10.774 -9.351 -5.351 1.00 0.82 H new ATOM 0 HA THR A 402 -7.919 -9.969 -5.554 1.00 0.99 H new ATOM 0 HB THR A 402 -8.812 -12.330 -5.018 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.926 -12.309 -4.017 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.039 -11.836 -2.616 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.697 -10.928 -3.351 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.235 -10.108 -2.993 1.00 1.29 H new ATOM 653 N THR A 403 -9.149 -9.990 -8.117 1.00 1.43 N ATOM 654 CA THR A 403 -9.244 -10.393 -9.522 1.00 1.62 C ATOM 655 C THR A 403 -10.282 -11.510 -9.712 1.00 1.84 C ATOM 656 O THR A 403 -11.004 -11.866 -8.780 1.00 1.85 O ATOM 657 CB THR A 403 -7.869 -10.852 -10.052 1.00 1.77 C ATOM 658 OG1 THR A 403 -6.845 -9.994 -9.536 1.00 1.78 O ATOM 659 CG2 THR A 403 -7.817 -10.809 -11.573 1.00 1.95 C ATOM 0 H THR A 403 -9.171 -8.981 -7.971 1.00 1.43 H new ATOM 0 HA THR A 403 -9.569 -9.524 -10.093 1.00 1.62 H new ATOM 0 HB THR A 403 -7.712 -11.879 -9.724 1.00 1.77 H new ATOM 0 HG1 THR A 403 -5.999 -10.184 -9.992 1.00 1.78 H new ATOM 0 HG21 THR A 403 -6.835 -11.138 -11.913 1.00 1.95 H new ATOM 0 HG22 THR A 403 -8.583 -11.468 -11.982 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.996 -9.789 -11.915 1.00 1.95 H new ATOM 667 N GLU A 404 -10.363 -12.050 -10.925 1.00 2.08 N ATOM 668 CA GLU A 404 -11.314 -13.114 -11.232 1.00 2.34 C ATOM 669 C GLU A 404 -10.946 -14.413 -10.519 1.00 2.30 C ATOM 670 O GLU A 404 -11.815 -15.121 -10.011 1.00 2.37 O ATOM 671 CB GLU A 404 -11.367 -13.356 -12.742 1.00 2.72 C ATOM 672 CG GLU A 404 -11.787 -12.135 -13.542 1.00 2.91 C ATOM 673 CD GLU A 404 -11.818 -12.397 -15.036 1.00 3.42 C ATOM 674 OE1 GLU A 404 -11.507 -13.535 -15.447 1.00 3.79 O ATOM 675 OE2 GLU A 404 -12.153 -11.463 -15.795 1.00 3.87 O ATOM 0 H GLU A 404 -9.780 -11.767 -11.713 1.00 2.08 H new ATOM 0 HA GLU A 404 -12.294 -12.794 -10.878 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -10.385 -13.683 -13.083 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -12.062 -14.170 -12.946 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -12.775 -11.812 -13.213 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -11.099 -11.316 -13.335 1.00 2.91 H new ATOM 682 N ASN A 405 -9.652 -14.727 -10.502 1.00 2.26 N ATOM 683 CA ASN A 405 -9.163 -15.950 -9.869 1.00 2.30 C ATOM 684 C ASN A 405 -9.625 -16.046 -8.415 1.00 2.07 C ATOM 685 O ASN A 405 -10.206 -17.052 -8.008 1.00 2.40 O ATOM 686 CB ASN A 405 -7.635 -16.001 -9.943 1.00 2.43 C ATOM 687 CG ASN A 405 -7.071 -17.299 -9.400 1.00 2.67 C ATOM 688 OD1 ASN A 405 -7.246 -17.622 -8.227 1.00 3.16 O ATOM 689 ND2 ASN A 405 -6.388 -18.052 -10.254 1.00 2.73 N ATOM 0 H ASN A 405 -8.922 -14.150 -10.920 1.00 2.26 H new ATOM 0 HA ASN A 405 -9.578 -16.801 -10.409 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -7.320 -15.877 -10.979 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -7.219 -15.165 -9.381 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -5.985 -18.936 -9.945 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -6.267 -17.746 -11.219 1.00 2.73 H new ATOM 696 N ALA A 406 -9.370 -14.994 -7.644 1.00 1.82 N ATOM 697 CA ALA A 406 -9.768 -14.955 -6.237 1.00 1.67 C ATOM 698 C ALA A 406 -9.211 -16.147 -5.457 1.00 1.85 C ATOM 699 O ALA A 406 -9.964 -16.936 -4.885 1.00 2.18 O ATOM 700 CB ALA A 406 -11.282 -14.900 -6.119 1.00 1.72 C ATOM 0 H ALA A 406 -8.889 -14.155 -7.968 1.00 1.82 H new ATOM 0 HA ALA A 406 -9.345 -14.051 -5.798 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -11.564 -14.871 -5.067 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -11.654 -14.005 -6.619 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -11.716 -15.784 -6.587 1.00 1.72 H new ATOM 706 N ALA A 407 -7.889 -16.262 -5.438 1.00 1.91 N ATOM 707 CA ALA A 407 -7.215 -17.344 -4.729 1.00 2.19 C ATOM 708 C ALA A 407 -5.745 -17.004 -4.536 1.00 2.37 C ATOM 709 O ALA A 407 -4.937 -17.846 -4.146 1.00 2.77 O ATOM 710 CB ALA A 407 -7.361 -18.650 -5.490 1.00 2.38 C ATOM 0 H ALA A 407 -7.258 -15.614 -5.909 1.00 1.91 H new ATOM 0 HA ALA A 407 -7.679 -17.464 -3.750 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.852 -19.446 -4.947 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -8.418 -18.897 -5.590 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.918 -18.546 -6.480 1.00 2.38 H new ATOM 716 N ALA A 408 -5.422 -15.749 -4.820 1.00 2.15 N ATOM 717 CA ALA A 408 -4.065 -15.235 -4.700 1.00 2.35 C ATOM 718 C ALA A 408 -4.032 -13.743 -5.041 1.00 2.05 C ATOM 719 O ALA A 408 -3.488 -12.943 -4.280 1.00 1.99 O ATOM 720 CB ALA A 408 -3.109 -16.012 -5.597 1.00 2.76 C ATOM 0 H ALA A 408 -6.098 -15.056 -5.142 1.00 2.15 H new ATOM 0 HA ALA A 408 -3.738 -15.364 -3.668 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -2.102 -15.610 -5.490 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -3.112 -17.063 -5.308 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -3.428 -15.920 -6.635 1.00 2.76 H new ATOM 726 N PRO A 409 -4.624 -13.341 -6.189 1.00 1.99 N ATOM 727 CA PRO A 409 -4.662 -11.935 -6.603 1.00 1.80 C ATOM 728 C PRO A 409 -5.422 -11.062 -5.620 1.00 1.41 C ATOM 729 O PRO A 409 -6.394 -11.503 -5.015 1.00 1.86 O ATOM 730 CB PRO A 409 -5.376 -11.966 -7.957 1.00 2.10 C ATOM 731 CG PRO A 409 -6.138 -13.243 -7.960 1.00 2.49 C ATOM 732 CD PRO A 409 -5.310 -14.210 -7.169 1.00 2.27 C ATOM 0 HA PRO A 409 -3.662 -11.505 -6.651 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -6.040 -11.110 -8.073 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -4.663 -11.930 -8.780 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -7.123 -13.112 -7.512 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -6.296 -13.603 -8.977 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.928 -14.962 -6.678 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -4.600 -14.744 -7.801 1.00 2.27 H new ATOM 740 N ASP A 410 -4.966 -9.820 -5.467 1.00 0.92 N ATOM 741 CA ASP A 410 -5.601 -8.871 -4.559 1.00 0.79 C ATOM 742 C ASP A 410 -4.897 -7.519 -4.611 1.00 0.68 C ATOM 743 O ASP A 410 -3.687 -7.426 -4.399 1.00 0.93 O ATOM 744 CB ASP A 410 -5.595 -9.408 -3.125 1.00 1.18 C ATOM 745 CG ASP A 410 -4.193 -9.625 -2.591 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.442 -10.416 -3.198 1.00 1.99 O ATOM 747 OD2 ASP A 410 -3.848 -9.002 -1.565 1.00 2.14 O ATOM 0 H ASP A 410 -4.156 -9.448 -5.963 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.634 -8.739 -4.880 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.123 -8.709 -2.477 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -6.143 -10.350 -3.091 1.00 1.18 H new ATOM 752 N GLU A 411 -5.667 -6.473 -4.891 1.00 0.54 N ATOM 753 CA GLU A 411 -5.132 -5.117 -4.969 1.00 0.45 C ATOM 754 C GLU A 411 -5.976 -4.171 -4.124 1.00 0.40 C ATOM 755 O GLU A 411 -7.203 -4.258 -4.125 1.00 0.42 O ATOM 756 CB GLU A 411 -5.096 -4.626 -6.420 1.00 0.49 C ATOM 757 CG GLU A 411 -4.100 -5.361 -7.305 1.00 0.58 C ATOM 758 CD GLU A 411 -4.456 -6.820 -7.518 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.566 -7.094 -8.020 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.621 -7.689 -7.185 1.00 2.08 O ATOM 0 H GLU A 411 -6.669 -6.538 -5.069 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.112 -5.131 -4.584 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.092 -4.729 -6.851 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.854 -3.563 -6.426 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -4.045 -4.862 -8.272 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -3.109 -5.297 -6.857 1.00 0.58 H new ATOM 767 N TYR A 412 -5.317 -3.279 -3.395 1.00 0.38 N ATOM 768 CA TYR A 412 -6.019 -2.331 -2.536 1.00 0.35 C ATOM 769 C TYR A 412 -5.931 -0.908 -3.078 1.00 0.33 C ATOM 770 O TYR A 412 -4.855 -0.436 -3.440 1.00 0.34 O ATOM 771 CB TYR A 412 -5.442 -2.363 -1.119 1.00 0.39 C ATOM 772 CG TYR A 412 -5.648 -3.669 -0.381 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.287 -4.885 -0.948 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.196 -3.678 0.896 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.468 -6.072 -0.266 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.381 -4.861 1.585 1.00 0.61 C ATOM 777 CZ TYR A 412 -6.015 -6.053 1.001 1.00 0.62 C ATOM 778 OH TYR A 412 -6.194 -7.231 1.686 1.00 0.72 O ATOM 0 H TYR A 412 -4.301 -3.191 -3.381 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.067 -2.631 -2.515 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.373 -2.156 -1.172 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.894 -1.558 -0.539 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.858 -4.902 -1.939 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.482 -2.744 1.358 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -5.183 -7.009 -0.721 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.810 -4.851 2.576 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.056 -7.077 2.644 1.00 0.72 H new ATOM 788 N TYR A 413 -7.069 -0.221 -3.104 1.00 0.33 N ATOM 789 CA TYR A 413 -7.117 1.159 -3.569 1.00 0.32 C ATOM 790 C TYR A 413 -6.482 2.068 -2.525 1.00 0.32 C ATOM 791 O TYR A 413 -6.929 2.106 -1.380 1.00 0.40 O ATOM 792 CB TYR A 413 -8.567 1.582 -3.804 1.00 0.36 C ATOM 793 CG TYR A 413 -8.711 2.962 -4.407 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.055 3.302 -5.585 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.507 3.924 -3.799 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.188 4.562 -6.137 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.645 5.186 -4.346 1.00 0.48 C ATOM 798 CZ TYR A 413 -8.983 5.500 -5.514 1.00 0.46 C ATOM 799 OH TYR A 413 -9.118 6.755 -6.060 1.00 0.51 O ATOM 0 H TYR A 413 -7.969 -0.598 -2.808 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.567 1.240 -4.507 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.045 0.857 -4.462 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.102 1.553 -2.855 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.432 2.570 -6.076 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.027 3.682 -2.884 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.671 4.811 -7.052 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.268 5.922 -3.861 1.00 0.48 H new ATOM 0 HH TYR A 413 -9.713 7.294 -5.498 1.00 0.51 H new ATOM 809 N VAL A 414 -5.435 2.789 -2.908 1.00 0.33 N ATOM 810 CA VAL A 414 -4.752 3.670 -1.969 1.00 0.33 C ATOM 811 C VAL A 414 -4.926 5.145 -2.317 1.00 0.29 C ATOM 812 O VAL A 414 -4.845 5.542 -3.480 1.00 0.38 O ATOM 813 CB VAL A 414 -3.248 3.349 -1.888 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.587 3.518 -3.245 1.00 1.09 C ATOM 815 CG2 VAL A 414 -2.573 4.224 -0.844 1.00 1.15 C ATOM 0 H VAL A 414 -5.044 2.782 -3.850 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.217 3.488 -1.000 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.135 2.308 -1.586 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.525 3.286 -3.164 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.052 2.843 -3.963 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -2.709 4.547 -3.583 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -1.511 3.984 -0.800 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -2.697 5.273 -1.113 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.027 4.043 0.131 1.00 1.15 H new ATOM 825 N HIS A 415 -5.142 5.949 -1.282 1.00 0.33 N ATOM 826 CA HIS A 415 -5.302 7.388 -1.431 1.00 0.32 C ATOM 827 C HIS A 415 -4.230 8.104 -0.617 1.00 0.32 C ATOM 828 O HIS A 415 -4.434 8.414 0.557 1.00 0.34 O ATOM 829 CB HIS A 415 -6.695 7.820 -0.964 1.00 0.37 C ATOM 830 CG HIS A 415 -6.966 9.281 -1.152 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.005 9.885 -2.391 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.211 10.261 -0.250 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.262 11.173 -2.243 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.391 11.426 -0.955 1.00 0.62 N ATOM 0 H HIS A 415 -5.211 5.621 -0.319 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.194 7.653 -2.483 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.445 7.247 -1.509 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -6.808 7.571 0.091 1.00 0.37 H new ATOM 0 HD2 HIS A 415 -7.256 10.148 0.823 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.351 11.895 -3.041 1.00 0.60 H new ATOM 0 HE2 HIS A 415 -7.592 12.339 -0.548 1.00 0.62 H new ATOM 843 N TYR A 416 -3.079 8.345 -1.240 1.00 0.37 N ATOM 844 CA TYR A 416 -1.966 9.002 -0.564 1.00 0.40 C ATOM 845 C TYR A 416 -2.403 10.315 0.075 1.00 0.45 C ATOM 846 O TYR A 416 -2.809 11.251 -0.615 1.00 0.57 O ATOM 847 CB TYR A 416 -0.816 9.252 -1.543 1.00 0.46 C ATOM 848 CG TYR A 416 -0.291 7.994 -2.199 1.00 0.47 C ATOM 849 CD1 TYR A 416 -0.954 7.420 -3.278 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.873 7.385 -1.748 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.473 6.275 -3.885 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.361 6.240 -2.350 1.00 0.54 C ATOM 853 CZ TYR A 416 0.683 5.690 -3.417 1.00 0.57 C ATOM 854 OH TYR A 416 1.165 4.550 -4.018 1.00 0.65 O ATOM 0 H TYR A 416 -2.894 8.095 -2.211 1.00 0.37 H new ATOM 0 HA TYR A 416 -1.620 8.337 0.228 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.153 9.941 -2.317 1.00 0.46 H new ATOM 0 HB3 TYR A 416 0.000 9.743 -1.013 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -1.860 7.876 -3.648 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.406 7.813 -0.912 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.001 5.841 -4.722 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.268 5.779 -1.987 1.00 0.54 H new ATOM 0 HH TYR A 416 1.988 4.266 -3.568 1.00 0.65 H new ATOM 864 N VAL A 417 -2.320 10.371 1.401 1.00 0.45 N ATOM 865 CA VAL A 417 -2.707 11.562 2.146 1.00 0.55 C ATOM 866 C VAL A 417 -1.842 12.757 1.770 1.00 0.66 C ATOM 867 O VAL A 417 -0.615 12.681 1.793 1.00 1.34 O ATOM 868 CB VAL A 417 -2.610 11.331 3.666 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.018 12.583 4.430 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.469 10.148 4.075 1.00 1.01 C ATOM 0 H VAL A 417 -1.987 9.602 1.982 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.743 11.773 1.882 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.573 11.108 3.915 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -2.942 12.397 5.501 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.358 13.407 4.157 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.046 12.843 4.179 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.391 9.996 5.152 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.508 10.344 3.811 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.126 9.253 3.557 1.00 1.01 H new ATOM 880 N GLY A 418 -2.497 13.862 1.440 1.00 0.71 N ATOM 881 CA GLY A 418 -1.783 15.073 1.071 1.00 0.82 C ATOM 882 C GLY A 418 -1.228 15.038 -0.345 1.00 0.72 C ATOM 883 O GLY A 418 -1.307 16.030 -1.069 1.00 0.76 O ATOM 0 H GLY A 418 -3.514 13.943 1.421 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.454 15.926 1.169 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.963 15.230 1.771 1.00 0.82 H new ATOM 887 N LEU A 419 -0.658 13.901 -0.737 1.00 0.66 N ATOM 888 CA LEU A 419 -0.080 13.753 -2.072 1.00 0.60 C ATOM 889 C LEU A 419 -1.123 13.981 -3.164 1.00 0.59 C ATOM 890 O LEU A 419 -2.327 13.915 -2.915 1.00 0.76 O ATOM 891 CB LEU A 419 0.550 12.368 -2.242 1.00 0.58 C ATOM 892 CG LEU A 419 1.866 12.148 -1.488 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.636 12.112 0.013 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.540 10.868 -1.960 1.00 1.40 C ATOM 0 H LEU A 419 -0.584 13.070 -0.151 1.00 0.66 H new ATOM 0 HA LEU A 419 0.695 14.513 -2.173 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.168 11.618 -1.912 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.726 12.195 -3.304 1.00 0.58 H new ATOM 0 HG LEU A 419 2.526 12.988 -1.705 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.586 11.955 0.523 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.202 13.058 0.337 1.00 1.60 H new ATOM 0 HD13 LEU A 419 0.954 11.298 0.257 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.473 10.726 -1.415 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.880 10.020 -1.776 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.750 10.940 -3.027 1.00 1.40 H new ATOM 906 N ASN A 420 -0.637 14.256 -4.373 1.00 0.61 N ATOM 907 CA ASN A 420 -1.500 14.503 -5.525 1.00 0.63 C ATOM 908 C ASN A 420 -2.561 13.420 -5.684 1.00 0.56 C ATOM 909 O ASN A 420 -2.292 12.236 -5.480 1.00 0.56 O ATOM 910 CB ASN A 420 -0.661 14.581 -6.801 1.00 0.75 C ATOM 911 CG ASN A 420 0.249 15.791 -6.829 1.00 1.57 C ATOM 912 OD1 ASN A 420 1.069 15.990 -5.932 1.00 2.53 O ATOM 913 ND2 ASN A 420 0.110 16.602 -7.869 1.00 1.98 N ATOM 0 H ASN A 420 0.360 14.314 -4.580 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.008 15.452 -5.353 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.059 13.677 -6.891 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.324 14.610 -7.666 1.00 0.75 H new ATOM 0 HD21 ASN A 420 0.697 17.432 -7.950 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -0.584 16.395 -8.588 1.00 1.98 H new ATOM 920 N ARG A 421 -3.766 13.839 -6.058 1.00 0.62 N ATOM 921 CA ARG A 421 -4.875 12.914 -6.259 1.00 0.67 C ATOM 922 C ARG A 421 -4.594 11.976 -7.430 1.00 0.66 C ATOM 923 O ARG A 421 -4.958 10.801 -7.396 1.00 0.69 O ATOM 924 CB ARG A 421 -6.175 13.683 -6.498 1.00 0.87 C ATOM 925 CG ARG A 421 -6.627 14.494 -5.293 1.00 1.09 C ATOM 926 CD ARG A 421 -7.920 15.239 -5.577 1.00 1.51 C ATOM 927 NE ARG A 421 -7.764 16.219 -6.647 1.00 2.25 N ATOM 928 CZ ARG A 421 -8.749 17.000 -7.082 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.958 16.910 -6.544 1.00 3.28 N ATOM 930 NH2 ARG A 421 -8.525 17.872 -8.055 1.00 3.98 N ATOM 0 H ARG A 421 -3.999 14.817 -6.228 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.984 12.313 -5.356 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.042 14.352 -7.348 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.961 12.978 -6.768 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.768 13.831 -4.439 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.848 15.206 -5.019 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.697 14.525 -5.850 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.255 15.743 -4.670 1.00 1.51 H new ATOM 0 HE ARG A 421 -6.848 16.310 -7.086 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -10.134 16.241 -5.795 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -10.711 17.510 -6.879 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -7.597 17.945 -8.471 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -9.281 18.470 -8.388 1.00 3.98 H new ATOM 944 N ARG A 422 -3.942 12.503 -8.464 1.00 0.71 N ATOM 945 CA ARG A 422 -3.608 11.712 -9.644 1.00 0.83 C ATOM 946 C ARG A 422 -2.807 10.472 -9.252 1.00 0.72 C ATOM 947 O ARG A 422 -2.956 9.407 -9.851 1.00 0.77 O ATOM 948 CB ARG A 422 -2.814 12.560 -10.644 1.00 1.01 C ATOM 949 CG ARG A 422 -1.480 13.052 -10.107 1.00 1.19 C ATOM 950 CD ARG A 422 -0.736 13.917 -11.121 1.00 1.49 C ATOM 951 NE ARG A 422 -0.351 13.173 -12.322 1.00 2.09 N ATOM 952 CZ ARG A 422 -1.160 12.955 -13.358 1.00 2.79 C ATOM 953 NH1 ARG A 422 -2.379 13.477 -13.378 1.00 3.07 N ATOM 954 NH2 ARG A 422 -0.740 12.230 -14.386 1.00 3.71 N ATOM 0 H ARG A 422 -3.635 13.475 -8.508 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.536 11.389 -10.115 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.638 11.973 -11.545 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.417 13.420 -10.936 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.646 13.625 -9.195 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -0.861 12.197 -9.837 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.367 14.759 -11.406 1.00 1.49 H new ATOM 0 HD3 ARG A 422 0.157 14.332 -10.653 1.00 1.49 H new ATOM 0 HE ARG A 422 0.596 12.798 -12.368 1.00 2.09 H new ATOM 0 HH11 ARG A 422 -2.702 14.049 -12.598 1.00 3.07 H new ATOM 0 HH12 ARG A 422 -2.994 13.307 -14.174 1.00 3.07 H new ATOM 0 HH21 ARG A 422 0.202 11.839 -14.383 1.00 3.71 H new ATOM 0 HH22 ARG A 422 -1.359 12.063 -15.179 1.00 3.71 H new ATOM 968 N LEU A 423 -1.958 10.628 -8.242 1.00 0.65 N ATOM 969 CA LEU A 423 -1.122 9.534 -7.753 1.00 0.62 C ATOM 970 C LEU A 423 -1.969 8.352 -7.284 1.00 0.52 C ATOM 971 O LEU A 423 -1.572 7.196 -7.429 1.00 0.53 O ATOM 972 CB LEU A 423 -0.243 10.025 -6.600 1.00 0.69 C ATOM 973 CG LEU A 423 0.673 11.206 -6.933 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.390 11.694 -5.684 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.681 10.816 -8.003 1.00 1.49 C ATOM 0 H LEU A 423 -1.829 11.508 -7.742 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.494 9.198 -8.578 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.888 10.310 -5.769 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.373 9.194 -6.255 1.00 0.69 H new ATOM 0 HG LEU A 423 0.057 12.018 -7.318 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.036 12.533 -5.940 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.656 12.014 -4.945 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.992 10.885 -5.271 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.323 11.668 -8.226 1.00 1.49 H new ATOM 0 HD22 LEU A 423 2.291 9.987 -7.644 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.153 10.513 -8.907 1.00 1.49 H new ATOM 987 N ASP A 424 -3.127 8.655 -6.704 1.00 0.49 N ATOM 988 CA ASP A 424 -4.027 7.625 -6.189 1.00 0.50 C ATOM 989 C ASP A 424 -4.380 6.592 -7.256 1.00 0.45 C ATOM 990 O ASP A 424 -4.615 6.928 -8.416 1.00 0.49 O ATOM 991 CB ASP A 424 -5.306 8.261 -5.646 1.00 0.66 C ATOM 992 CG ASP A 424 -5.023 9.337 -4.617 1.00 0.81 C ATOM 993 OD1 ASP A 424 -4.276 9.059 -3.658 1.00 0.97 O ATOM 994 OD2 ASP A 424 -5.555 10.455 -4.769 1.00 1.20 O ATOM 0 H ASP A 424 -3.466 9.609 -6.578 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.503 7.111 -5.383 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.874 8.691 -6.471 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.931 7.489 -5.198 1.00 0.66 H new ATOM 999 N GLY A 425 -4.423 5.329 -6.838 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.757 4.245 -7.744 1.00 0.50 C ATOM 1001 C GLY A 425 -4.730 2.898 -7.047 1.00 0.45 C ATOM 1002 O GLY A 425 -4.928 2.819 -5.836 1.00 0.70 O ATOM 0 H GLY A 425 -4.231 5.037 -5.880 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.748 4.416 -8.166 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.053 4.237 -8.576 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.475 1.838 -7.807 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.415 0.495 -7.241 1.00 0.44 C ATOM 1008 C TRP A 426 -2.980 0.107 -6.900 1.00 0.45 C ATOM 1009 O TRP A 426 -2.049 0.416 -7.644 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.025 -0.534 -8.193 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.510 -0.390 -8.353 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.169 0.490 -9.161 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.520 -1.140 -7.667 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.528 0.319 -9.034 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.768 -0.674 -8.121 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.490 -2.166 -6.718 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -9.972 -1.199 -7.657 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -8.685 -2.684 -6.257 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -9.912 -2.200 -6.727 1.00 0.59 C ATOM 0 H TRP A 426 -4.307 1.882 -8.812 1.00 0.50 H new ATOM 0 HA TRP A 426 -5.000 0.503 -6.321 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.551 -0.440 -9.170 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -4.802 -1.536 -7.825 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.694 1.214 -9.806 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.241 0.846 -9.538 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -6.548 -2.547 -6.351 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.920 -0.829 -8.019 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -8.673 -3.475 -5.522 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -10.829 -2.626 -6.348 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.812 -0.570 -5.769 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.494 -1.000 -5.321 1.00 0.46 C ATOM 1032 C VAL A 427 -1.534 -2.413 -4.751 1.00 0.51 C ATOM 1033 O VAL A 427 -2.446 -2.770 -4.005 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.926 -0.049 -4.253 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.573 1.295 -4.862 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.920 0.127 -3.120 1.00 0.85 C ATOM 0 H VAL A 427 -3.575 -0.833 -5.145 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.847 -0.984 -6.198 1.00 0.46 H new ATOM 0 HB VAL A 427 -0.014 -0.491 -3.851 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.173 1.951 -4.089 1.00 0.89 H new ATOM 0 HG12 VAL A 427 0.175 1.156 -5.642 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.467 1.745 -5.293 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.504 0.802 -2.372 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.847 0.546 -3.511 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -2.124 -0.841 -2.661 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.532 -3.209 -5.107 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.457 -4.575 -4.629 1.00 0.65 C ATOM 1048 C GLY A 428 -0.330 -4.658 -3.121 1.00 0.79 C ATOM 1049 O GLY A 428 0.228 -3.761 -2.487 1.00 1.72 O ATOM 0 H GLY A 428 0.233 -2.930 -5.721 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.349 -5.116 -4.945 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.397 -5.071 -5.090 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.851 -5.738 -2.549 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.802 -5.951 -1.107 1.00 0.54 C ATOM 1055 C ARG A 429 0.628 -5.843 -0.578 1.00 0.49 C ATOM 1056 O ARG A 429 0.857 -5.318 0.511 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.389 -7.324 -0.763 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.284 -7.693 0.709 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.030 -6.707 1.596 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.954 -7.076 3.008 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.834 -7.033 3.727 1.00 1.26 C ATOM 1062 NH1 ARG A 429 0.288 -6.572 3.191 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.842 -7.431 4.991 1.00 1.65 N ATOM 0 H ARG A 429 -1.315 -6.484 -3.066 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.396 -5.173 -0.628 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.438 -7.343 -1.057 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.878 -8.084 -1.354 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.686 -8.695 0.862 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.234 -7.723 1.002 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.614 -5.709 1.459 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.075 -6.661 1.289 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.809 -7.385 3.470 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.296 -6.248 2.224 1.00 1.73 H new ATOM 0 HH12 ARG A 429 1.143 -6.541 3.746 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.706 -7.770 5.413 1.00 1.65 H new ATOM 0 HH22 ARG A 429 0.016 -7.398 5.542 1.00 1.65 H new ATOM 1077 N HIS A 430 1.585 -6.350 -1.350 1.00 0.49 N ATOM 1078 CA HIS A 430 2.990 -6.314 -0.953 1.00 0.53 C ATOM 1079 C HIS A 430 3.476 -4.890 -0.705 1.00 0.47 C ATOM 1080 O HIS A 430 4.375 -4.667 0.106 1.00 0.49 O ATOM 1081 CB HIS A 430 3.869 -6.984 -2.010 1.00 0.65 C ATOM 1082 CG HIS A 430 3.666 -6.461 -3.397 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.479 -6.592 -4.087 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.513 -5.813 -4.232 1.00 1.47 C ATOM 1085 CE1 HIS A 430 2.605 -6.050 -5.286 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.830 -5.571 -5.398 1.00 1.46 N ATOM 0 H HIS A 430 1.414 -6.791 -2.254 1.00 0.49 H new ATOM 0 HA HIS A 430 3.070 -6.865 -0.016 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.915 -6.852 -1.733 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.671 -8.056 -2.005 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.536 -5.538 -4.020 1.00 1.47 H new ATOM 0 HE1 HIS A 430 1.837 -6.006 -6.044 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.208 -5.097 -6.219 1.00 1.46 H new ATOM 1095 N ARG A 431 2.889 -3.931 -1.410 1.00 0.43 N ATOM 1096 CA ARG A 431 3.281 -2.533 -1.264 1.00 0.41 C ATOM 1097 C ARG A 431 2.683 -1.921 -0.001 1.00 0.37 C ATOM 1098 O ARG A 431 3.318 -1.099 0.658 1.00 0.57 O ATOM 1099 CB ARG A 431 2.853 -1.726 -2.491 1.00 0.44 C ATOM 1100 CG ARG A 431 3.469 -2.223 -3.788 1.00 0.53 C ATOM 1101 CD ARG A 431 3.065 -1.354 -4.966 1.00 0.64 C ATOM 1102 NE ARG A 431 3.610 -1.855 -6.226 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.371 -1.297 -7.410 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.590 -0.228 -7.500 1.00 2.55 N ATOM 1105 NH2 ARG A 431 3.910 -1.812 -8.507 1.00 2.84 N ATOM 0 H ARG A 431 2.143 -4.093 -2.086 1.00 0.43 H new ATOM 0 HA ARG A 431 4.367 -2.499 -1.178 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.767 -1.760 -2.577 1.00 0.44 H new ATOM 0 HB3 ARG A 431 3.129 -0.682 -2.344 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.555 -2.231 -3.696 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.157 -3.251 -3.969 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.978 -1.314 -5.031 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.412 -0.334 -4.800 1.00 0.64 H new ATOM 0 HE ARG A 431 4.208 -2.680 -6.196 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.170 0.169 -6.659 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.409 0.197 -8.410 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.508 -2.636 -8.443 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.727 -1.384 -9.415 1.00 2.84 H new ATOM 1119 N ILE A 432 1.462 -2.322 0.334 1.00 0.39 N ATOM 1120 CA ILE A 432 0.793 -1.807 1.523 1.00 0.36 C ATOM 1121 C ILE A 432 1.110 -2.655 2.750 1.00 0.38 C ATOM 1122 O ILE A 432 1.161 -3.883 2.675 1.00 0.44 O ATOM 1123 CB ILE A 432 -0.734 -1.738 1.328 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.068 -0.809 0.159 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.414 -1.265 2.608 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.551 -0.633 -0.080 1.00 0.46 C ATOM 0 H ILE A 432 0.917 -3.000 -0.199 1.00 0.39 H new ATOM 0 HA ILE A 432 1.172 -0.798 1.683 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.107 -2.736 1.097 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -0.622 0.168 0.345 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.608 -1.202 -0.748 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.492 -1.222 2.453 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.191 -1.961 3.417 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.045 -0.273 2.871 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -2.706 0.039 -0.924 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.002 -1.601 -0.299 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.015 -0.210 0.811 1.00 0.46 H new ATOM 1138 N SER A 433 1.320 -1.988 3.880 1.00 0.34 N ATOM 1139 CA SER A 433 1.634 -2.667 5.133 1.00 0.38 C ATOM 1140 C SER A 433 1.366 -1.752 6.322 1.00 0.36 C ATOM 1141 O SER A 433 1.656 -0.557 6.276 1.00 0.34 O ATOM 1142 CB SER A 433 3.095 -3.120 5.148 1.00 0.41 C ATOM 1143 OG SER A 433 3.350 -4.065 4.125 1.00 0.53 O ATOM 0 H SER A 433 1.278 -0.972 3.954 1.00 0.34 H new ATOM 0 HA SER A 433 0.991 -3.544 5.211 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.747 -2.256 5.019 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.333 -3.557 6.118 1.00 0.41 H new ATOM 0 HG SER A 433 2.501 -4.365 3.738 1.00 0.53 H new ATOM 1149 N ASP A 434 0.805 -2.322 7.382 1.00 0.43 N ATOM 1150 CA ASP A 434 0.490 -1.559 8.584 1.00 0.48 C ATOM 1151 C ASP A 434 1.755 -1.013 9.241 1.00 0.48 C ATOM 1152 O ASP A 434 1.715 0.005 9.931 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.277 -2.434 9.574 1.00 0.60 C ATOM 1154 CG ASP A 434 0.516 -3.654 10.001 1.00 0.83 C ATOM 1155 OD1 ASP A 434 0.871 -4.469 9.125 1.00 1.12 O ATOM 1156 OD2 ASP A 434 0.784 -3.792 11.213 1.00 1.35 O ATOM 0 H ASP A 434 0.559 -3.310 7.434 1.00 0.43 H new ATOM 0 HA ASP A 434 -0.132 -0.713 8.293 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.533 -1.844 10.454 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.215 -2.754 9.121 1.00 0.60 H new ATOM 1161 N ASN A 435 2.878 -1.693 9.023 1.00 0.43 N ATOM 1162 CA ASN A 435 4.149 -1.263 9.598 1.00 0.47 C ATOM 1163 C ASN A 435 5.079 -0.729 8.512 1.00 0.39 C ATOM 1164 O ASN A 435 5.221 -1.332 7.448 1.00 0.38 O ATOM 1165 CB ASN A 435 4.819 -2.419 10.345 1.00 0.59 C ATOM 1166 CG ASN A 435 5.994 -1.956 11.184 1.00 1.26 C ATOM 1167 OD1 ASN A 435 5.843 -1.120 12.075 1.00 2.16 O ATOM 1168 ND2 ASN A 435 7.172 -2.499 10.906 1.00 1.81 N ATOM 0 H ASN A 435 2.934 -2.539 8.456 1.00 0.43 H new ATOM 0 HA ASN A 435 3.947 -0.460 10.307 1.00 0.47 H new ATOM 0 HB2 ASN A 435 4.086 -2.907 10.988 1.00 0.59 H new ATOM 0 HB3 ASN A 435 5.160 -3.165 9.626 1.00 0.59 H new ATOM 0 HD21 ASN A 435 7.998 -2.227 11.440 1.00 1.81 H new ATOM 0 HD22 ASN A 435 7.252 -3.189 10.159 1.00 1.81 H new ATOM 1175 N ALA A 436 5.697 0.415 8.785 1.00 0.49 N ATOM 1176 CA ALA A 436 6.601 1.051 7.834 1.00 0.55 C ATOM 1177 C ALA A 436 7.935 0.315 7.722 1.00 0.55 C ATOM 1178 O ALA A 436 8.490 0.190 6.629 1.00 0.54 O ATOM 1179 CB ALA A 436 6.835 2.502 8.230 1.00 0.75 C ATOM 0 H ALA A 436 5.587 0.923 9.663 1.00 0.49 H new ATOM 0 HA ALA A 436 6.126 1.010 6.854 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.511 2.970 7.515 1.00 0.75 H new ATOM 0 HB2 ALA A 436 5.885 3.036 8.234 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.277 2.541 9.226 1.00 0.75 H new ATOM 1185 N ASP A 437 8.455 -0.151 8.855 1.00 0.65 N ATOM 1186 CA ASP A 437 9.739 -0.854 8.882 1.00 0.75 C ATOM 1187 C ASP A 437 9.801 -1.962 7.832 1.00 0.71 C ATOM 1188 O ASP A 437 10.826 -2.144 7.175 1.00 0.78 O ATOM 1189 CB ASP A 437 9.995 -1.441 10.271 1.00 0.92 C ATOM 1190 CG ASP A 437 10.038 -0.377 11.351 1.00 1.02 C ATOM 1191 OD1 ASP A 437 10.895 0.527 11.260 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.215 -0.448 12.288 1.00 1.34 O ATOM 0 H ASP A 437 8.009 -0.055 9.767 1.00 0.65 H new ATOM 0 HA ASP A 437 10.515 -0.125 8.647 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.213 -2.163 10.507 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.939 -1.985 10.264 1.00 0.92 H new ATOM 1197 N ASP A 438 8.704 -2.695 7.674 1.00 0.68 N ATOM 1198 CA ASP A 438 8.648 -3.778 6.696 1.00 0.73 C ATOM 1199 C ASP A 438 8.760 -3.236 5.274 1.00 0.73 C ATOM 1200 O ASP A 438 9.436 -3.820 4.428 1.00 1.35 O ATOM 1201 CB ASP A 438 7.352 -4.577 6.850 1.00 0.88 C ATOM 1202 CG ASP A 438 7.322 -5.393 8.127 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.443 -4.797 9.216 1.00 1.56 O ATOM 1204 OD2 ASP A 438 7.178 -6.631 8.037 1.00 1.36 O ATOM 0 H ASP A 438 7.845 -2.561 8.207 1.00 0.68 H new ATOM 0 HA ASP A 438 9.494 -4.439 6.882 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.504 -3.893 6.840 1.00 0.88 H new ATOM 0 HB3 ASP A 438 7.235 -5.242 5.995 1.00 0.88 H new ATOM 1209 N LEU A 439 8.087 -2.119 5.020 1.00 0.54 N ATOM 1210 CA LEU A 439 8.101 -1.497 3.702 1.00 0.53 C ATOM 1211 C LEU A 439 9.498 -0.998 3.331 1.00 0.61 C ATOM 1212 O LEU A 439 10.241 -1.686 2.629 1.00 0.86 O ATOM 1213 CB LEU A 439 7.093 -0.350 3.644 1.00 0.52 C ATOM 1214 CG LEU A 439 5.638 -0.752 3.886 1.00 0.63 C ATOM 1215 CD1 LEU A 439 4.738 0.466 3.809 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.194 -1.799 2.880 1.00 1.10 C ATOM 0 H LEU A 439 7.524 -1.625 5.712 1.00 0.54 H new ATOM 0 HA LEU A 439 7.816 -2.256 2.974 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.375 0.398 4.385 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.164 0.126 2.666 1.00 0.52 H new ATOM 0 HG LEU A 439 5.563 -1.183 4.884 1.00 0.63 H new ATOM 0 HD11 LEU A 439 3.705 0.166 3.983 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.039 1.189 4.567 1.00 1.12 H new ATOM 0 HD13 LEU A 439 4.823 0.919 2.821 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.156 -2.070 3.071 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.284 -1.396 1.871 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.823 -2.684 2.974 1.00 1.10 H new ATOM 1228 N GLY A 440 9.850 0.203 3.792 1.00 0.59 N ATOM 1229 CA GLY A 440 11.154 0.759 3.479 1.00 0.77 C ATOM 1230 C GLY A 440 11.805 1.451 4.662 1.00 0.96 C ATOM 1231 O GLY A 440 12.520 2.436 4.488 1.00 1.36 O ATOM 0 H GLY A 440 9.257 0.796 4.373 1.00 0.59 H new ATOM 0 HA2 GLY A 440 11.808 -0.039 3.128 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.052 1.471 2.660 1.00 0.77 H new ATOM 1235 N GLY A 441 11.569 0.923 5.863 1.00 0.93 N ATOM 1236 CA GLY A 441 12.156 1.491 7.070 1.00 1.24 C ATOM 1237 C GLY A 441 12.095 3.006 7.124 1.00 1.14 C ATOM 1238 O GLY A 441 13.070 3.657 7.496 1.00 1.83 O ATOM 0 H GLY A 441 10.978 0.107 6.023 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.640 1.084 7.940 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.197 1.176 7.140 1.00 1.24 H new ATOM 1242 N ILE A 442 10.946 3.556 6.765 1.00 1.10 N ATOM 1243 CA ILE A 442 10.734 4.997 6.774 1.00 1.03 C ATOM 1244 C ILE A 442 11.520 5.687 5.653 1.00 1.05 C ATOM 1245 O ILE A 442 12.514 6.375 5.892 1.00 1.39 O ATOM 1246 CB ILE A 442 11.114 5.593 8.139 1.00 1.26 C ATOM 1247 CG1 ILE A 442 10.252 4.982 9.249 1.00 1.41 C ATOM 1248 CG2 ILE A 442 10.982 7.112 8.134 1.00 1.38 C ATOM 1249 CD1 ILE A 442 8.770 5.251 9.094 1.00 1.48 C ATOM 0 H ILE A 442 10.135 3.018 6.460 1.00 1.10 H new ATOM 0 HA ILE A 442 9.673 5.175 6.597 1.00 1.03 H new ATOM 0 HB ILE A 442 12.158 5.349 8.334 1.00 1.26 H new ATOM 0 HG12 ILE A 442 10.415 3.905 9.271 1.00 1.41 H new ATOM 0 HG13 ILE A 442 10.584 5.374 10.210 1.00 1.41 H new ATOM 0 HG21 ILE A 442 11.257 7.504 9.113 1.00 1.38 H new ATOM 0 HG22 ILE A 442 11.643 7.532 7.376 1.00 1.38 H new ATOM 0 HG23 ILE A 442 9.951 7.387 7.910 1.00 1.38 H new ATOM 0 HD11 ILE A 442 8.228 4.786 9.918 1.00 1.48 H new ATOM 0 HD12 ILE A 442 8.592 6.326 9.103 1.00 1.48 H new ATOM 0 HD13 ILE A 442 8.421 4.834 8.149 1.00 1.48 H new